#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ckj n ALA 3 N 0.00 0.00 0.00 1.79 0.00 -1.26 -4.84 120.51 116.20 2ckj n ALA 3 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2ckj n ALA 3 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2ckj n ALA 3 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2ckj n ASP 4 N -0.19 0.00 -3.61 0.00 5.75 -0.78 -4.45 116.55 113.27 2ckj n ASP 4 Ca 0.00 0.00 -0.22 0.00 -0.01 0.00 0.00 54.79 54.56 2ckj n ASP 4 Cb 0.00 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.10 2ckj n ASP 4 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 2ckj n LYS 5 N 0.00 -1.30 -2.36 0.11 4.81 -1.21 -4.90 118.16 113.30 2ckj n LYS 5 Ca 0.00 0.81 -0.39 0.00 -0.87 0.00 0.00 58.31 57.86 2ckj n LYS 5 Cb 0.00 -3.64 -0.03 0.00 0.02 0.00 0.00 35.03 31.39 2ckj n LYS 5 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 2ckj s LEU 6 N -5.32 4.28 -0.07 3.14 0.20 -0.63 -4.89 118.68 115.38 2ckj s LEU 6 Ca 0.17 2.30 -0.00 0.00 0.69 0.00 0.00 54.13 57.29 2ckj s LEU 6 Cb -0.07 -3.94 0.02 0.00 -0.43 0.00 0.00 46.19 41.78 2ckj s LEU 6 CO 0.86 -0.52 -0.04 -0.69 -0.29 0.00 0.00 176.35 175.67 2ckj s VAL 7 N -1.38 0.62 0.37 1.68 1.01 -1.26 -1.38 120.40 120.06 2ckj s VAL 7 Ca 0.54 -0.09 -0.05 0.00 0.00 0.00 0.00 61.98 62.37 2ckj s VAL 7 Cb -0.30 -0.69 0.02 0.00 0.00 0.00 0.00 36.38 35.41 2ckj s VAL 7 CO 0.38 0.28 0.59 2.22 0.00 0.00 0.00 175.10 178.56 2ckj n PHE 8 N 4.61 -1.73 -4.08 5.22 1.16 -1.06 0.02 117.46 121.60 2ckj n PHE 8 Ca -0.16 -2.28 -0.25 0.00 -1.87 0.00 0.00 57.45 52.90 2ckj n PHE 8 Cb 0.50 0.67 -0.17 0.00 -1.61 0.00 0.00 39.48 38.88 2ckj n PHE 8 CO 0.00 0.00 0.00 -0.06 -1.87 0.00 0.00 176.76 174.83 2ckj s PHE 9 N -2.65 1.33 -0.32 2.97 0.40 -1.10 0.38 117.98 118.98 2ckj s PHE 9 Ca 0.26 -0.58 -0.00 0.00 -0.60 0.00 0.00 56.93 56.00 2ckj s PHE 9 Cb -0.02 -1.10 0.07 0.00 0.51 0.00 0.00 43.02 42.49 2ckj s PHE 9 CO 0.19 -0.41 0.03 0.08 0.70 0.00 0.00 175.22 175.81 2ckj s VAL 10 N 1.41 2.80 -0.89 -0.44 1.01 0.90 0.11 120.40 125.29 2ckj s VAL 10 Ca -0.01 -1.73 -0.04 0.00 0.00 0.00 0.00 61.98 60.20 2ckj s VAL 10 Cb -0.13 -2.76 0.00 0.00 0.00 0.00 0.00 36.38 33.49 2ckj s VAL 10 CO -0.04 -0.30 0.77 0.59 0.00 0.00 0.00 175.10 176.11 2ckj n ASN 11 N 4.52 -4.02 0.00 3.32 3.02 0.39 -3.09 115.26 119.40 2ckj n ASN 11 Ca -0.08 -0.39 0.00 0.00 -0.03 0.00 0.00 54.58 54.08 2ckj n ASN 11 Cb 0.42 -3.63 0.00 0.00 -0.61 0.00 0.00 39.78 35.97 2ckj n ASN 11 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ckj n GLY 12 N -1.39 3.09 3.88 7.41 0.00 -1.26 -5.02 105.19 111.90 2ckj n GLY 12 Ca -0.06 -0.87 -0.31 0.00 0.00 0.00 0.00 46.02 44.78 2ckj n GLY 12 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ckj s ARG 13 N 0.00 3.74 0.47 1.61 0.52 -1.18 -4.98 118.95 119.14 2ckj s ARG 13 Ca 0.00 0.19 -0.18 0.00 -0.52 0.00 0.00 55.73 55.22 2ckj s ARG 13 Cb 0.00 -2.64 -0.09 0.00 0.52 0.00 0.00 34.95 32.74 2ckj s ARG 13 CO 0.00 0.27 0.95 0.21 0.02 0.00 0.00 175.30 176.75 2ckj s LYS 14 N -3.10 4.03 -0.03 3.54 2.20 -1.26 -0.07 119.74 125.05 2ckj s LYS 14 Ca 0.46 0.97 0.00 0.00 -0.36 0.00 0.00 55.97 57.04 2ckj s LYS 14 Cb -0.11 -2.18 0.03 0.00 -1.51 0.00 0.00 37.83 34.06 2ckj s LYS 14 CO 0.25 -0.16 0.01 0.08 -0.36 0.00 0.00 175.35 175.16 2ckj s VAL 15 N -2.44 0.15 -0.25 4.02 1.01 0.16 -4.82 120.40 118.23 2ckj s VAL 15 Ca 0.59 0.11 0.02 0.00 0.00 0.00 0.00 61.98 62.70 2ckj s VAL 15 Cb -0.10 -0.26 0.06 0.00 0.00 0.00 0.00 36.38 36.08 2ckj s VAL 15 CO 0.25 0.15 -0.07 -0.69 0.00 0.00 0.00 175.10 174.73 2ckj s VAL 16 N 1.12 1.86 -0.20 2.92 1.01 -1.26 -2.55 120.40 123.30 2ckj s VAL 16 Ca -0.08 -1.48 -0.02 0.00 0.00 0.00 0.00 61.98 60.40 2ckj s VAL 16 Cb -0.13 -2.07 0.00 0.00 0.00 0.00 0.00 36.38 34.18 2ckj s VAL 16 CO -0.02 -0.10 -0.11 -0.70 0.00 0.00 0.00 175.10 174.16 2ckj s GLU 17 N 1.23 3.22 0.34 2.72 2.56 -0.48 -4.95 118.70 123.34 2ckj s GLU 17 Ca -0.06 -0.71 0.15 0.00 0.00 0.00 0.00 54.97 54.34 2ckj s GLU 17 Cb -0.19 -2.81 0.59 0.00 2.00 0.00 0.00 34.13 33.72 2ckj s GLU 17 CO -0.06 -0.18 1.71 0.87 -0.56 0.00 0.00 175.26 177.05 2ckj h LYS 18 N 7.95 0.00 -0.03 4.30 1.57 -1.94 -1.69 116.57 126.74 2ckj h LYS 18 Ca -0.42 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.19 2ckj h LYS 18 Cb 1.16 0.00 -0.32 0.00 0.08 0.00 0.00 32.23 33.15 2ckj h LYS 18 CO 0.61 0.46 -0.83 0.09 -0.57 0.00 0.00 179.45 179.21 2ckj n ASN 19 N -3.73 0.45 -4.73 0.86 3.02 -1.26 -3.35 115.26 106.52 2ckj n ASN 19 Ca -0.01 -2.01 -0.42 0.00 -0.03 0.00 0.00 54.58 52.11 2ckj n ASN 19 Cb 0.52 -0.13 -0.02 0.00 -0.61 0.00 0.00 39.78 39.54 2ckj n ASN 19 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ckj n ALA 20 N 0.24 2.54 -2.66 5.41 0.00 -1.26 -4.88 120.51 119.90 2ckj n ALA 20 Ca -0.03 0.39 -0.40 0.00 0.00 0.00 0.00 53.44 53.39 2ckj n ALA 20 Cb 1.00 -2.47 -0.06 0.00 0.00 0.00 0.00 19.45 17.92 2ckj n ALA 20 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2ckj s ASP 21 N 0.76 6.72 0.49 0.00 -1.08 -1.26 -4.32 116.67 117.98 2ckj s ASP 21 Ca 0.69 0.87 0.29 0.00 -0.52 0.00 0.00 52.55 53.88 2ckj s ASP 21 Cb -0.52 -2.36 1.58 0.00 -1.46 0.00 0.00 42.92 40.16 2ckj s ASP 21 CO 0.42 -0.28 1.87 -0.65 0.52 0.00 0.00 175.17 177.05 2ckj h PRO 22 N 7.45 0.00 0.00 4.34 0.11 -1.90 -1.16 132.00 140.84 2ckj h PRO 22 Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 2ckj h PRO 22 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2ckj h PRO 22 CO 0.78 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.96 2ckj n GLU 23 N -2.59 0.23 -2.98 1.05 1.02 -1.26 -4.76 120.64 111.36 2ckj n GLU 23 Ca -0.02 0.36 -0.42 0.00 -0.02 0.00 0.00 57.16 57.05 2ckj n GLU 23 Cb 0.14 -1.87 -0.05 0.00 -0.02 0.00 0.00 31.44 29.64 2ckj n GLU 23 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2ckj s THR 24 N -3.25 4.74 0.59 2.62 -4.23 -0.44 -4.99 115.64 110.68 2ckj s THR 24 Ca 0.06 0.78 -0.18 0.00 -1.18 0.00 0.00 61.69 61.17 2ckj s THR 24 Cb 0.10 -4.21 -0.04 0.00 1.34 0.00 0.00 72.50 69.70 2ckj s THR 24 CO 0.48 -0.46 1.17 0.28 -0.54 0.00 0.00 174.62 175.55 2ckj s THR 25 N 3.08 2.83 0.05 3.99 -1.32 -1.26 -2.79 115.64 120.21 2ckj s THR 25 Ca 0.30 0.50 -0.25 0.00 -1.21 0.00 0.00 61.69 61.03 2ckj s THR 25 Cb -0.13 -3.17 -0.13 0.00 -1.51 0.00 0.00 72.50 67.56 2ckj s THR 25 CO 0.17 -0.13 1.38 0.25 -2.21 0.00 0.00 174.62 174.08 2ckj h LEU 26 N 0.83 -0.86 -9.17 9.08 5.85 -0.95 -2.95 115.31 117.14 2ckj h LEU 26 Ca -0.50 0.05 -0.73 0.00 0.84 0.00 0.00 57.88 57.55 2ckj h LEU 26 Cb 1.28 0.26 0.02 0.00 0.37 0.00 0.00 40.66 42.59 2ckj h LEU 26 CO 0.55 -0.51 0.82 -0.11 -0.34 0.00 0.00 178.44 178.86 2ckj n LEU 27 N -4.48 2.27 0.00 2.25 7.94 0.38 -1.10 117.00 124.26 2ckj n LEU 27 Ca -0.10 1.08 0.00 0.00 -1.11 0.00 0.00 56.01 55.88 2ckj n LEU 27 Cb 0.34 -1.15 0.00 0.00 0.53 0.00 0.00 43.42 43.13 2ckj n LEU 27 CO 0.23 -0.54 0.00 0.00 -1.11 0.00 0.00 177.39 175.97 2ckj n ALA 28 N 4.86 0.00 -0.20 1.96 0.00 -1.26 -4.67 120.51 121.20 2ckj n ALA 28 Ca 0.25 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.67 2ckj n ALA 28 Cb 0.14 0.00 0.19 0.00 0.00 0.00 0.00 19.45 19.78 2ckj n ALA 28 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 2ckj h TYR 29 N 0.00 0.96 0.08 0.00 3.20 -0.93 -0.88 116.97 119.41 2ckj h TYR 29 Ca 0.00 -0.04 -0.11 0.00 3.14 0.00 0.00 58.73 61.72 2ckj h TYR 29 Cb 0.00 -0.30 0.01 0.00 1.54 0.00 0.00 36.73 37.98 2ckj h TYR 29 CO 0.00 0.70 -0.48 -0.07 -1.64 0.00 0.00 178.16 176.67 2ckj h LEU 30 N 0.97 0.29 0.13 2.82 3.38 -1.74 0.35 115.31 121.50 2ckj h LEU 30 Ca 0.24 -0.96 -0.26 0.00 0.09 0.00 0.00 57.88 56.99 2ckj h LEU 30 Cb 0.10 -0.09 0.03 0.00 0.09 0.00 0.00 40.66 40.79 2ckj h LEU 30 CO -0.03 1.23 -1.08 -0.09 0.09 0.00 0.00 178.44 178.56 2ckj h ARG 31 N -0.61 0.51 0.00 1.13 2.43 -1.78 -2.35 114.38 113.71 2ckj h ARG 31 Ca -0.08 -0.71 0.00 0.00 -0.81 0.00 0.00 59.98 58.37 2ckj h ARG 31 Cb 1.37 0.24 0.00 0.00 -0.42 0.00 0.00 29.97 31.17 2ckj h ARG 31 CO 0.09 1.32 -0.11 2.89 -1.51 0.00 0.00 179.97 182.65 2ckj n ARG 32 N -3.93 1.25 -0.04 0.20 1.85 -0.34 -4.04 116.66 111.62 2ckj n ARG 32 Ca -0.14 -1.61 -0.05 0.00 -1.00 0.00 0.00 57.85 55.05 2ckj n ARG 32 Cb 0.92 -0.99 -0.04 0.00 -1.05 0.00 0.00 32.46 31.30 2ckj n ARG 32 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 2ckj n LYS 33 N -0.65 0.84 -0.73 2.89 3.00 0.05 -4.67 118.16 118.89 2ckj n LYS 33 Ca 0.06 0.03 -0.02 0.00 -0.00 0.00 0.00 58.31 58.39 2ckj n LYS 33 Cb 0.53 -1.16 0.23 0.00 0.00 0.00 0.00 35.03 34.63 2ckj n LYS 33 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2ckj n LEU 34 N -2.62 4.43 -3.71 3.14 4.77 -0.80 -5.01 117.00 117.20 2ckj n LEU 34 Ca -0.13 -3.45 -0.01 0.00 -0.03 0.00 0.00 56.01 52.39 2ckj n LEU 34 Cb 0.66 -0.63 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 2ckj n LEU 34 CO 0.09 1.00 -0.00 0.61 -1.33 0.00 0.00 177.39 177.75 2ckj n GLY 35 N -0.84 -0.02 3.15 -0.72 0.00 -1.16 -4.92 105.19 100.69 2ckj n GLY 35 Ca 0.32 0.01 -0.38 0.00 0.00 0.00 0.00 46.02 45.97 2ckj n GLY 35 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ckj s LEU 36 N -5.01 5.46 0.00 0.99 1.43 -0.89 -5.00 118.68 115.65 2ckj s LEU 36 Ca 0.01 -2.23 0.00 0.00 -1.03 0.00 0.00 54.13 50.88 2ckj s LEU 36 Cb -0.01 -1.91 0.00 0.00 0.03 0.00 0.00 46.19 44.30 2ckj s LEU 36 CO 0.02 -0.55 0.00 -1.54 0.23 0.00 0.00 176.35 174.51 2ckj n SER 37 N 4.39 -0.58 0.00 2.29 3.41 -1.26 -4.07 113.62 117.80 2ckj n SER 37 Ca -0.01 -0.19 0.00 0.00 -0.26 0.00 0.00 58.87 58.41 2ckj n SER 37 Cb 0.41 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.36 2ckj n SER 37 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ckj n GLY 38 N 2.00 0.31 3.48 5.00 0.00 -1.26 -4.86 105.19 109.86 2ckj n GLY 38 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 2ckj n GLY 38 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ckj s THR 39 N -1.90 4.49 0.45 2.61 2.01 -1.26 -4.84 115.64 117.21 2ckj s THR 39 Ca 0.00 -0.11 0.01 0.00 0.31 0.00 0.00 61.69 61.90 2ckj s THR 39 Cb 0.00 -4.52 0.00 0.00 0.01 0.00 0.00 72.50 67.99 2ckj s THR 39 CO 0.00 -1.14 0.67 -0.54 -0.69 0.00 0.00 174.62 172.92 2ckj s LYS 40 N 3.64 3.01 -0.18 4.92 -0.14 -1.03 -4.94 119.74 125.02 2ckj s LYS 40 Ca 0.24 -0.56 -0.02 0.00 -1.36 0.00 0.00 55.97 54.27 2ckj s LYS 40 Cb -0.16 -2.57 -0.01 0.00 -1.68 0.00 0.00 37.83 33.41 2ckj s LYS 40 CO 0.15 -0.30 -0.08 -1.17 -0.76 0.00 0.00 175.35 173.19 2ckj s LEU 41 N -4.55 2.85 0.00 3.17 0.20 -1.26 -3.29 118.68 115.80 2ckj s LEU 41 Ca 0.49 -0.34 0.00 0.00 0.69 0.00 0.00 54.13 54.97 2ckj s LEU 41 Cb -0.10 -1.69 0.00 0.00 -0.43 0.00 0.00 46.19 43.97 2ckj s LEU 41 CO 0.37 0.07 0.00 0.61 -0.29 0.00 0.00 176.35 177.11 2ckj n GLY 42 N 4.18 0.00 1.04 7.98 0.00 -1.26 -4.90 105.19 112.23 2ckj n GLY 42 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2ckj n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ckj n GLY 44 N 3.09 0.70 1.23 0.00 0.00 -1.26 -4.21 105.19 104.74 2ckj n GLY 44 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 2ckj n GLY 44 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2ckj n GLU 45 N -2.00 2.68 0.00 1.61 2.13 -1.26 -4.87 120.64 118.93 2ckj n GLU 45 Ca 0.00 -2.51 0.00 0.00 0.66 0.00 0.00 57.16 55.31 2ckj n GLU 45 Cb 0.00 -1.52 0.00 0.00 0.27 0.00 0.00 31.44 30.19 2ckj n GLU 45 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2ckj n GLY 46 N 1.49 2.93 1.47 8.31 0.00 -1.26 -4.99 105.19 113.14 2ckj n GLY 46 Ca 0.22 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.13 2ckj n GLY 46 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ckj n GLY 47 N -1.45 5.08 0.00 -0.02 0.00 -1.26 -4.39 105.19 103.15 2ckj n GLY 47 Ca 0.00 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.59 2ckj n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ckj n GLY 49 N 0.16 0.08 0.00 0.00 0.00 -0.73 -3.67 105.19 101.02 2ckj n GLY 49 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.17 2ckj n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ckj n ALA 50 N -1.15 2.66 -1.26 4.61 0.00 -1.26 -3.23 120.51 120.88 2ckj n ALA 50 Ca -0.04 -0.18 0.06 0.00 0.00 0.00 0.00 53.44 53.28 2ckj n ALA 50 Cb 0.24 -1.48 0.19 0.00 0.00 0.00 0.00 19.45 18.40 2ckj n ALA 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ckj s THR 52 N -3.03 4.56 0.26 0.00 2.01 -1.20 -0.08 115.64 118.16 2ckj s THR 52 Ca 0.38 1.69 0.01 0.00 0.31 0.00 0.00 61.69 64.08 2ckj s THR 52 Cb 0.34 -4.14 -0.04 0.00 0.01 0.00 0.00 72.50 68.67 2ckj s THR 52 CO 0.01 0.43 0.14 0.68 -0.69 0.00 0.00 174.62 175.19 2ckj s VAL 53 N -0.52 0.25 -0.39 3.82 -7.23 -0.75 -4.75 120.40 110.83 2ckj s VAL 53 Ca 0.38 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.44 2ckj s VAL 53 Cb -0.22 -2.54 0.04 0.00 0.56 0.00 0.00 36.38 34.22 2ckj s VAL 53 CO 0.25 0.00 0.22 -0.32 -0.31 0.00 0.00 175.10 174.94 2ckj s MET 54 N -3.97 2.78 -0.11 4.82 1.75 -0.68 -2.38 119.30 121.50 2ckj s MET 54 Ca 0.38 -1.17 -0.27 0.00 -1.25 0.00 0.00 55.69 53.38 2ckj s MET 54 Cb 0.06 -3.75 -0.02 0.00 2.84 0.00 0.00 34.83 33.96 2ckj s MET 54 CO 0.15 -0.76 0.90 -0.51 -0.65 0.00 0.00 175.02 174.15 2ckj s LEU 55 N 1.53 4.25 0.07 4.11 1.43 -1.06 -0.16 118.68 128.85 2ckj s LEU 55 Ca 0.02 1.37 0.09 0.00 -1.03 0.00 0.00 54.13 54.58 2ckj s LEU 55 Cb -0.20 -3.38 -0.03 0.00 0.03 0.00 0.00 46.19 42.61 2ckj s LEU 55 CO 0.06 -0.36 -0.23 -0.44 0.23 0.00 0.00 176.35 175.60 2ckj s SER 56 N 1.06 2.82 0.21 2.29 0.01 0.16 -1.23 113.70 119.03 2ckj s SER 56 Ca 0.44 -0.60 -0.15 0.00 1.31 0.00 0.00 55.95 56.95 2ckj s SER 56 Cb -0.18 -0.22 0.01 0.00 0.21 0.00 0.00 66.02 65.84 2ckj s SER 56 CO 0.17 0.18 0.48 -1.59 0.41 0.00 0.00 173.24 172.89 2ckj s LYS 57 N -1.44 1.43 -0.19 12.44 -2.85 -0.58 -1.02 119.74 127.54 2ckj s LYS 57 Ca 0.10 -1.05 -0.17 0.00 -1.00 0.00 0.00 55.97 53.85 2ckj s LYS 57 Cb -0.10 0.49 -0.04 0.00 -2.06 0.00 0.00 37.83 36.12 2ckj s LYS 57 CO 0.03 -0.59 0.43 -0.47 0.10 0.00 0.00 175.35 174.85 2ckj s TYR 58 N -3.94 3.40 0.10 1.78 5.04 -1.26 -1.90 117.35 120.56 2ckj s TYR 58 Ca 0.15 0.69 -0.13 0.00 -2.44 0.00 0.00 57.07 55.34 2ckj s TYR 58 Cb -0.01 -2.56 -0.17 0.00 0.35 0.00 0.00 41.96 39.58 2ckj s TYR 58 CO 0.02 0.00 1.28 0.22 -1.34 0.00 0.00 175.55 175.74 2ckj h ASP 59 N 7.27 0.95 0.00 4.32 1.82 -1.76 -3.48 116.42 125.54 2ckj h ASP 59 Ca -0.36 -0.65 0.00 0.00 -0.39 0.00 0.00 57.03 55.63 2ckj h ASP 59 Cb 1.16 -0.28 0.00 0.00 0.68 0.00 0.00 39.33 40.89 2ckj h ASP 59 CO 0.73 1.45 0.00 -1.14 -1.61 0.00 0.00 179.24 178.67 2ckj n ARG 60 N -3.92 0.00 0.28 0.28 0.63 -1.26 -4.54 116.66 108.13 2ckj n ARG 60 Ca -0.08 0.00 -0.16 0.00 -0.92 0.00 0.00 57.85 56.69 2ckj n ARG 60 Cb 0.77 0.00 -0.08 0.00 0.45 0.00 0.00 32.46 33.60 2ckj n ARG 60 CO 0.00 0.00 0.00 1.25 -2.51 0.00 0.00 177.63 176.37 2ckj h LEU 61 N 0.00 -0.57 -3.56 6.15 7.12 -1.98 -3.26 115.31 119.20 2ckj h LEU 61 Ca 0.00 -0.00 -0.24 0.00 0.13 0.00 0.00 57.88 57.77 2ckj h LEU 61 Cb 0.00 0.15 -0.14 0.00 -0.53 0.00 0.00 40.66 40.14 2ckj h LEU 61 CO 0.00 -0.37 0.17 0.00 -0.13 0.00 0.00 178.44 178.11 2ckj n GLN 62 N -5.36 2.48 -0.57 1.25 6.02 -1.26 -5.03 117.38 114.91 2ckj n GLN 62 Ca -0.12 -3.07 0.00 0.00 -0.01 0.00 0.00 57.00 53.80 2ckj n GLN 62 Cb 0.29 -1.98 0.00 0.00 1.02 0.00 0.00 30.24 29.57 2ckj n GLN 62 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 2ckj n ASN 63 N -0.85 0.00 -3.83 1.08 2.85 -1.23 -4.92 115.26 108.36 2ckj n ASN 63 Ca 0.39 0.00 -0.10 0.00 -0.11 0.00 0.00 54.58 54.76 2ckj n ASN 63 Cb 1.23 0.00 -0.05 0.00 1.24 0.00 0.00 39.78 42.20 2ckj n ASN 63 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 2ckj s LYS 64 N 0.00 1.61 -0.18 1.20 2.36 -1.26 -4.88 119.74 118.59 2ckj s LYS 64 Ca 0.00 -1.40 0.01 0.00 -2.55 0.00 0.00 55.97 52.03 2ckj s LYS 64 Cb 0.00 0.45 0.02 0.00 -1.05 0.00 0.00 37.83 37.25 2ckj s LYS 64 CO 0.00 -0.66 -0.19 0.42 1.55 0.00 0.00 175.35 176.47 2ckj s ILE 65 N -3.78 2.11 0.20 5.43 1.01 -1.26 -1.98 121.20 122.94 2ckj s ILE 65 Ca 0.25 -0.93 0.00 0.00 0.00 0.00 0.00 60.65 59.97 2ckj s ILE 65 Cb -0.00 -1.89 -0.04 0.00 0.01 0.00 0.00 42.46 40.54 2ckj s ILE 65 CO 0.12 0.52 0.38 0.68 0.00 0.00 0.00 174.94 176.64 2ckj s VAL 66 N 1.29 5.22 -0.04 2.92 -7.23 -0.80 -4.92 120.40 116.85 2ckj s VAL 66 Ca 0.05 -0.47 0.03 0.00 -1.81 0.00 0.00 61.98 59.78 2ckj s VAL 66 Cb -0.13 -3.75 0.00 0.00 0.56 0.00 0.00 36.38 33.06 2ckj s VAL 66 CO -0.12 -0.19 -0.12 -1.00 -0.31 0.00 0.00 175.10 173.35 2ckj s HIS 67 N -1.88 1.32 0.09 2.82 3.76 -1.26 -1.53 115.29 118.62 2ckj s HIS 67 Ca 0.38 -0.39 -0.13 0.00 -0.15 0.00 0.00 55.06 54.76 2ckj s HIS 67 Cb -0.11 -0.93 0.02 0.00 1.11 0.00 0.00 32.58 32.67 2ckj s HIS 67 CO 0.29 -0.17 0.30 -0.59 -0.85 0.00 0.00 174.74 173.72 2ckj s PHE 68 N 0.29 -0.05 0.56 1.40 -0.12 -0.36 -4.96 117.98 114.74 2ckj s PHE 68 Ca -0.07 -0.26 -0.04 0.00 -0.05 0.00 0.00 56.93 56.51 2ckj s PHE 68 Cb -0.12 0.10 0.01 0.00 -0.63 0.00 0.00 43.02 42.39 2ckj s PHE 68 CO 0.02 -0.60 0.84 -1.54 -0.05 0.00 0.00 175.22 173.90 2ckj s SER 69 N -2.64 5.55 -0.25 1.98 1.04 -1.26 -2.55 113.70 115.56 2ckj s SER 69 Ca 0.02 0.52 -0.32 0.00 0.48 0.00 0.00 55.95 56.64 2ckj s SER 69 Cb 0.02 -1.53 0.17 0.00 0.10 0.00 0.00 66.02 64.78 2ckj s SER 69 CO -0.09 -1.03 1.29 0.00 0.98 0.00 0.00 173.24 174.38 2ckj s ALA 70 N -2.89 -2.11 -0.19 5.32 0.00 -1.00 -4.62 121.76 116.27 2ckj s ALA 70 Ca 0.53 1.80 -0.15 0.00 0.00 0.00 0.00 51.96 54.15 2ckj s ALA 70 Cb -0.10 -0.91 -0.04 0.00 0.00 0.00 0.00 23.12 22.07 2ckj s ALA 70 CO 0.43 -0.39 0.35 0.54 0.00 0.00 0.00 175.76 176.69 2ckj s ASN 71 N -1.48 6.42 0.00 0.00 6.03 -1.26 -1.82 114.94 122.83 2ckj s ASN 71 Ca 0.08 0.49 0.17 0.00 -1.03 0.00 0.00 52.86 52.57 2ckj s ASN 71 Cb -0.01 -2.21 0.57 0.00 -3.03 0.00 0.00 41.25 36.57 2ckj s ASN 71 CO -0.05 -0.01 1.43 0.00 -2.03 0.00 0.00 177.10 176.44 2ckj n ALA 72 N 4.15 2.49 0.42 3.54 0.00 0.88 -3.15 120.51 128.84 2ckj n ALA 72 Ca -0.10 -0.57 0.11 0.00 0.00 0.00 0.00 53.44 52.88 2ckj n ALA 72 Cb 0.51 -1.04 0.26 0.00 0.00 0.00 0.00 19.45 19.18 2ckj n ALA 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ckj n LEU 74 N 1.24 0.00 -4.52 0.00 4.77 -1.19 -4.87 117.00 112.44 2ckj n LEU 74 Ca 0.19 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.76 2ckj n LEU 74 Cb 0.54 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.53 2ckj n LEU 74 CO 0.15 0.00 -0.08 0.00 -1.33 0.00 0.00 177.39 176.13 2ckj s ALA 75 N 0.00 3.50 0.61 -1.18 0.00 -1.20 -4.81 121.76 118.68 2ckj s ALA 75 Ca 0.00 -1.43 -0.17 0.00 0.00 0.00 0.00 51.96 50.36 2ckj s ALA 75 Cb 0.00 -2.76 -0.02 0.00 0.00 0.00 0.00 23.12 20.34 2ckj s ALA 75 CO 0.00 -1.12 1.16 -1.25 0.00 0.00 0.00 175.76 174.55 2ckj s PRO 76 N 1.78 2.95 0.23 0.00 0.04 -1.26 -0.86 135.00 137.88 2ckj s PRO 76 Ca 0.07 1.63 0.10 0.00 0.04 0.00 0.00 61.00 62.84 2ckj s PRO 76 Cb -0.18 -1.95 0.18 0.00 0.04 0.00 0.00 34.50 32.60 2ckj s PRO 76 CO 0.11 -1.18 1.51 -0.84 0.04 0.00 0.00 177.00 176.64 2ckj h ILE 77 N 0.61 1.50 -0.00 0.56 3.07 -1.81 -3.13 117.51 118.30 2ckj h ILE 77 Ca -0.49 -2.52 0.00 0.00 1.55 0.00 0.00 64.86 63.41 2ckj h ILE 77 Cb 1.27 2.37 -0.00 0.00 -0.27 0.00 0.00 36.82 40.19 2ckj h ILE 77 CO 0.55 0.71 0.10 0.00 -1.05 0.00 0.00 178.15 178.46 2ckj h SER 79 N 0.00 0.09 0.00 0.00 4.64 -1.94 -3.31 113.55 113.04 2ckj h SER 79 Ca 0.00 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 2ckj h SER 79 Cb 0.19 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 2ckj h SER 79 CO -0.00 0.68 0.00 0.18 -0.87 0.00 0.00 176.83 176.82 2ckj n LEU 80 N -3.83 0.32 -4.57 5.97 4.77 -0.05 -4.88 117.00 114.73 2ckj n LEU 80 Ca -0.02 -0.16 -0.51 0.00 -0.03 0.00 0.00 56.01 55.30 2ckj n LEU 80 Cb 0.62 -0.16 -0.06 0.00 -2.33 0.00 0.00 43.42 41.48 2ckj n LEU 80 CO 0.43 0.08 1.64 1.57 -1.33 0.00 0.00 177.39 179.78 2ckj n HIS 81 N -0.33 1.91 -0.73 -1.77 -0.00 -1.25 -1.76 115.22 111.30 2ckj n HIS 81 Ca 0.00 0.21 0.00 0.00 0.46 0.00 0.00 57.72 58.39 2ckj n HIS 81 Cb 0.08 -2.57 0.00 0.00 -0.12 0.00 0.00 29.99 27.38 2ckj n HIS 81 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2ckj n HIS 82 N 8.35 0.00 -3.54 1.57 8.25 0.10 -5.01 115.22 124.93 2ckj n HIS 82 Ca 0.33 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.52 2ckj n HIS 82 Cb 0.25 -0.04 -0.03 0.00 1.12 0.00 0.00 29.99 31.28 2ckj n HIS 82 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2ckj s VAL 83 N -2.00 5.13 -0.17 1.59 1.01 -0.72 -4.78 120.40 120.47 2ckj s VAL 83 Ca 0.00 -0.27 -0.00 0.00 0.00 0.00 0.00 61.98 61.71 2ckj s VAL 83 Cb 0.00 -3.76 0.00 0.00 0.00 0.00 0.00 36.38 32.63 2ckj s VAL 83 CO 0.00 -0.29 -0.15 0.00 0.00 0.00 0.00 175.10 174.66 2ckj s ALA 84 N -2.01 2.49 -0.22 5.51 0.00 -0.19 -2.70 121.76 124.64 2ckj s ALA 84 Ca 0.40 -1.10 -0.12 0.00 0.00 0.00 0.00 51.96 51.14 2ckj s ALA 84 Cb -0.11 -1.26 -0.05 0.00 0.00 0.00 0.00 23.12 21.70 2ckj s ALA 84 CO 0.30 -0.15 0.24 0.08 0.00 0.00 0.00 175.76 176.23 2ckj s VAL 85 N 1.00 5.31 0.11 0.00 1.01 0.30 -0.67 120.40 127.46 2ckj s VAL 85 Ca -0.02 0.36 0.05 0.00 0.00 0.00 0.00 61.98 62.37 2ckj s VAL 85 Cb -0.15 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.62 2ckj s VAL 85 CO -0.03 0.32 0.00 -0.89 0.00 0.00 0.00 175.10 174.50 2ckj s THR 86 N 1.08 3.96 0.34 3.92 2.01 0.78 -0.46 115.64 127.26 2ckj s THR 86 Ca 0.11 -1.08 0.04 0.00 0.31 0.00 0.00 61.69 61.07 2ckj s THR 86 Cb -0.14 -2.91 -0.07 0.00 0.01 0.00 0.00 72.50 69.40 2ckj s THR 86 CO 0.05 0.07 0.05 0.28 -0.69 0.00 0.00 174.62 174.38 2ckj s THR 87 N -1.40 1.35 0.14 -0.82 -1.32 -1.26 -1.69 115.64 110.63 2ckj s THR 87 Ca 0.26 -2.00 -0.19 0.00 -1.21 0.00 0.00 61.69 58.56 2ckj s THR 87 Cb -0.11 -2.83 -0.01 0.00 -1.51 0.00 0.00 72.50 68.04 2ckj s THR 87 CO 0.18 0.00 1.72 1.62 -2.21 0.00 0.00 174.62 175.94 2ckj h VAL 88 N 2.04 0.84 0.00 5.08 3.04 -1.89 -2.28 116.25 123.08 2ckj h VAL 88 Ca -0.41 -0.03 0.00 0.00 -1.01 0.00 0.00 66.70 65.24 2ckj h VAL 88 Cb 1.24 0.73 0.00 0.00 -2.01 0.00 0.00 31.29 31.25 2ckj h VAL 88 CO 0.72 0.02 0.00 -1.84 -1.01 0.00 0.00 177.57 175.46 2ckj n GLU 89 N -5.13 0.56 -0.06 4.17 0.00 -1.26 -2.25 120.64 116.67 2ckj n GLU 89 Ca -0.01 0.00 -0.08 0.00 0.00 0.00 0.00 57.16 57.07 2ckj n GLU 89 Cb 0.13 -1.22 -0.15 0.00 0.00 0.00 0.00 31.44 30.19 2ckj n GLU 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2ckj n GLY 90 N 0.19 -1.02 0.37 -1.84 0.00 -0.86 -4.54 105.19 97.49 2ckj n GLY 90 Ca 0.00 -0.24 0.10 0.00 0.00 0.00 0.00 46.02 45.88 2ckj n GLY 90 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2ckj n ILE 91 N -2.82 0.00 0.00 -0.61 -5.35 -0.95 -4.94 119.36 104.69 2ckj n ILE 91 Ca -0.25 -0.22 0.00 0.00 -0.27 0.00 0.00 62.75 62.01 2ckj n ILE 91 Cb 1.07 1.19 0.00 0.00 -1.74 0.00 0.00 39.64 40.16 2ckj n ILE 91 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2ckj n GLY 92 N 1.39 4.19 3.30 3.28 0.00 -1.26 -4.39 105.19 111.69 2ckj n GLY 92 Ca 0.08 -0.45 -0.09 0.00 0.00 0.00 0.00 46.02 45.55 2ckj n GLY 92 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ckj s SER 93 N 0.00 0.06 0.57 1.61 1.04 -1.17 -4.75 113.70 111.05 2ckj s SER 93 Ca 0.00 -0.78 0.35 0.00 0.48 0.00 0.00 55.95 55.99 2ckj s SER 93 Cb 0.00 0.41 1.67 0.00 0.10 0.00 0.00 66.02 68.19 2ckj s SER 93 CO 0.00 -0.84 2.11 0.71 0.98 0.00 0.00 173.24 176.20 2ckj h THR 94 N 2.60 0.19 0.00 2.02 1.35 -1.91 0.26 112.91 117.42 2ckj h THR 94 Ca -0.32 -0.41 0.00 0.00 -0.55 0.00 0.00 66.41 65.13 2ckj h THR 94 Cb 1.22 1.34 0.00 0.00 -1.73 0.00 0.00 68.15 68.98 2ckj h THR 94 CO 0.51 0.05 0.00 0.29 -0.25 0.00 0.00 175.52 176.11 2ckj n LYS 95 N -3.26 0.46 0.00 4.72 4.01 -1.26 -4.76 118.16 118.08 2ckj n LYS 95 Ca -0.01 0.05 0.00 0.00 -0.51 0.00 0.00 58.31 57.84 2ckj n LYS 95 Cb 0.23 -1.50 0.00 0.00 -0.51 0.00 0.00 35.03 33.25 2ckj n LYS 95 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 2ckj n THR 96 N -1.14 0.00 -3.67 -0.18 -2.24 0.63 -5.12 114.28 102.55 2ckj n THR 96 Ca 0.12 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.80 2ckj n THR 96 Cb 0.11 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.23 2ckj n THR 96 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2ckj s ARG 97 N 0.00 0.28 0.46 -0.78 1.81 0.34 -4.95 118.95 116.12 2ckj s ARG 97 Ca 0.00 0.87 -0.24 0.00 -1.72 0.00 0.00 55.73 54.63 2ckj s ARG 97 Cb 0.00 0.12 -0.07 0.00 -0.45 0.00 0.00 34.95 34.55 2ckj s ARG 97 CO 0.00 -0.23 1.32 -0.51 -0.68 0.00 0.00 175.30 175.20 2ckj s LEU 98 N 2.19 4.06 0.25 2.53 1.43 -1.23 -3.07 118.68 124.84 2ckj s LEU 98 Ca -0.03 2.68 -0.29 0.00 -1.03 0.00 0.00 54.13 55.45 2ckj s LEU 98 Cb -0.11 -4.07 -0.09 0.00 0.03 0.00 0.00 46.19 41.95 2ckj s LEU 98 CO -0.11 -1.13 0.94 -2.28 0.23 0.00 0.00 176.35 174.00 2ckj s HIS 99 N -1.31 3.94 0.36 0.29 5.65 -1.26 -4.81 115.29 118.14 2ckj s HIS 99 Ca 0.63 1.89 0.18 0.00 0.25 0.00 0.00 55.06 58.01 2ckj s HIS 99 Cb -0.38 -2.97 1.00 0.00 -1.18 0.00 0.00 32.58 29.06 2ckj s HIS 99 CO 0.48 0.42 1.51 -1.00 -0.65 0.00 0.00 174.74 175.49 2ckj h PRO 100 N 3.98 0.00 -0.33 2.88 0.13 -1.94 0.93 132.00 137.65 2ckj h PRO 100 Ca -0.45 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.55 2ckj h PRO 100 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 2ckj h PRO 100 CO 0.67 0.00 -0.32 0.28 -0.23 0.00 0.00 178.00 178.40 2ckj h VAL 101 N 0.00 1.28 -0.45 1.56 2.07 -1.95 -2.47 116.25 116.30 2ckj h VAL 101 Ca 0.00 -1.47 -0.10 0.00 0.82 0.00 0.00 66.70 65.95 2ckj h VAL 101 Cb 0.79 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.93 2ckj h VAL 101 CO 0.00 0.48 -0.10 1.56 0.02 0.00 0.00 177.57 179.53 2ckj h GLN 102 N 0.61 0.87 0.00 1.57 4.20 0.50 -3.13 115.11 119.73 2ckj h GLN 102 Ca 0.07 -0.33 -0.17 0.00 0.06 0.00 0.00 58.65 58.28 2ckj h GLN 102 Cb 0.85 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.55 2ckj h GLN 102 CO 0.07 0.97 -0.85 1.05 -0.67 0.00 0.00 178.83 179.40 2ckj h GLU 103 N 0.71 0.00 -0.29 1.46 4.11 -1.20 -3.30 114.58 116.06 2ckj h GLU 103 Ca 0.12 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.42 2ckj h GLU 103 Cb 0.64 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.89 2ckj h GLU 103 CO 0.04 0.74 -0.30 0.00 0.07 0.00 0.00 179.01 179.57 2ckj h ARG 104 N 0.00 0.72 0.00 1.06 3.08 -1.46 -2.58 114.38 115.19 2ckj h ARG 104 Ca -0.03 -0.38 -0.03 0.00 0.07 0.00 0.00 59.98 59.61 2ckj h ARG 104 Cb 1.62 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 31.68 2ckj h ARG 104 CO 0.10 1.00 -0.12 0.97 -1.07 0.00 0.00 179.97 180.85 2ckj h ILE 105 N 0.46 0.82 0.17 2.04 2.10 -1.62 -2.80 117.51 118.67 2ckj h ILE 105 Ca 0.04 -0.45 -0.36 0.00 1.08 0.00 0.00 64.86 65.17 2ckj h ILE 105 Cb 0.88 1.27 0.00 0.00 -1.09 0.00 0.00 36.82 37.87 2ckj h ILE 105 CO 0.07 0.12 -1.84 0.00 -1.08 0.00 0.00 178.15 175.42 2ckj h ALA 106 N 1.88 0.25 0.00 0.18 0.00 -1.64 -1.46 119.26 118.48 2ckj h ALA 106 Ca -0.00 -1.23 0.00 0.00 0.00 0.00 0.00 54.91 53.68 2ckj h ALA 106 Cb 0.26 0.55 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2ckj h ALA 106 CO 0.02 1.12 -0.17 1.63 0.00 0.00 0.00 179.25 181.85 2ckj n LYS 107 N -3.56 0.22 -0.26 0.00 5.02 -0.98 -3.61 118.16 114.99 2ckj n LYS 107 Ca -0.27 0.14 0.10 0.00 -2.02 0.00 0.00 58.31 56.26 2ckj n LYS 107 Cb 1.06 -1.72 0.24 0.00 -0.02 0.00 0.00 35.03 34.59 2ckj n LYS 107 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2ckj n SER 108 N -2.09 3.46 -1.58 4.39 3.41 -1.07 -4.86 113.62 115.29 2ckj n SER 108 Ca 0.05 -1.97 -0.04 0.00 -0.26 0.00 0.00 58.87 56.65 2ckj n SER 108 Cb 0.42 -0.35 0.02 0.00 -0.26 0.00 0.00 64.21 64.04 2ckj n SER 108 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2ckj n HIS 109 N 1.23 -0.53 -0.27 7.33 8.25 -1.24 -4.82 115.22 125.18 2ckj n HIS 109 Ca 0.19 0.23 0.04 0.00 -0.26 0.00 0.00 57.72 57.91 2ckj n HIS 109 Cb 0.54 -2.74 0.10 0.00 1.12 0.00 0.00 29.99 29.02 2ckj n HIS 109 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2ckj n GLY 110 N -1.03 3.16 2.88 -1.41 0.00 -0.55 -4.81 105.19 103.44 2ckj n GLY 110 Ca -0.07 -0.37 -0.26 0.00 0.00 0.00 0.00 46.02 45.32 2ckj n GLY 110 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ckj s SER 111 N -1.25 2.08 0.00 1.61 0.15 -1.26 -4.81 113.70 110.22 2ckj s SER 111 Ca 0.17 -0.27 0.00 0.00 0.70 0.00 0.00 55.95 56.55 2ckj s SER 111 Cb 0.11 -0.77 0.00 0.00 -1.71 0.00 0.00 66.02 63.66 2ckj s SER 111 CO 0.08 -0.14 0.00 0.00 1.20 0.00 0.00 173.24 174.38 2ckj n GLN 112 N 4.98 0.00 -0.28 5.44 6.02 -1.26 -4.91 117.38 127.38 2ckj n GLN 112 Ca -0.11 0.00 0.10 0.00 -0.01 0.00 0.00 57.00 56.97 2ckj n GLN 112 Cb 0.50 0.00 0.24 0.00 1.02 0.00 0.00 30.24 32.00 2ckj n GLN 112 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2ckj n GLY 114 N -1.38 1.54 0.11 0.00 0.00 -1.26 -4.65 105.19 99.55 2ckj n GLY 114 Ca 0.18 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.09 2ckj n GLY 114 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2ckj h PHE 115 N 0.00 0.34 -0.04 1.61 3.57 -1.92 -2.87 116.94 117.64 2ckj h PHE 115 Ca 0.00 -0.22 0.00 0.00 3.53 0.00 0.00 57.97 61.28 2ckj h PHE 115 Cb 0.00 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 38.72 2ckj h PHE 115 CO 0.00 1.11 0.00 0.00 -2.23 0.00 0.00 178.31 177.19 2ckj h THR 117 N 0.56 0.95 -0.63 0.00 2.02 -1.83 -2.73 112.91 111.24 2ckj h THR 117 Ca 0.00 -1.38 0.11 0.00 0.77 0.00 0.00 66.41 65.91 2ckj h THR 117 Cb 0.12 1.67 -0.12 0.00 -1.74 0.00 0.00 68.15 68.08 2ckj h THR 117 CO 0.00 0.28 -0.32 -0.65 0.37 0.00 0.00 175.52 175.19 2ckj h PRO 118 N -0.90 -0.13 -0.83 6.66 0.11 -1.80 -1.70 132.00 133.40 2ckj h PRO 118 Ca -0.01 0.01 0.11 0.00 0.11 0.00 0.00 66.00 66.22 2ckj h PRO 118 Cb 0.55 0.03 -0.13 0.00 0.11 0.00 0.00 31.00 31.56 2ckj h PRO 118 CO 0.02 -0.09 -0.45 0.78 -0.21 0.00 0.00 178.00 178.05 2ckj h GLY 119 N -0.13 -0.35 1.71 -0.55 0.00 -1.77 0.82 103.07 102.78 2ckj h GLY 119 Ca 0.25 0.60 -0.03 0.00 0.00 0.00 0.00 47.33 48.15 2ckj h GLY 119 CO -0.71 -0.13 0.00 -2.22 0.00 0.00 0.00 176.54 173.49 2ckj h ILE 120 N -0.09 1.16 -0.36 2.60 2.04 -1.14 -1.25 117.51 120.46 2ckj h ILE 120 Ca 0.24 -0.60 -0.13 0.00 1.00 0.00 0.00 64.86 65.37 2ckj h ILE 120 Cb 0.54 0.96 -0.01 0.00 -0.74 0.00 0.00 36.82 37.57 2ckj h ILE 120 CO -0.86 0.20 -0.28 0.58 0.00 0.00 0.00 178.15 177.79 2ckj h VAL 121 N 0.37 1.28 -0.00 1.67 2.07 0.14 -1.14 116.25 120.64 2ckj h VAL 121 Ca 0.08 -1.44 -0.17 0.00 0.82 0.00 0.00 66.70 65.99 2ckj h VAL 121 Cb 0.24 1.41 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 2ckj h VAL 121 CO 0.01 0.48 -0.80 0.24 0.02 0.00 0.00 177.57 177.51 2ckj h MET 122 N 0.62 0.09 -0.14 1.57 2.86 0.44 0.15 114.93 120.50 2ckj h MET 122 Ca 0.07 -0.09 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 2ckj h MET 122 Cb 0.86 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.53 2ckj h MET 122 CO 0.07 0.84 0.06 0.77 1.06 0.00 0.00 176.91 179.71 2ckj h SER 123 N 0.05 0.20 0.63 1.22 0.02 -0.64 -1.70 113.55 113.33 2ckj h SER 123 Ca -0.02 -0.16 -0.03 0.00 -0.84 0.00 0.00 61.79 60.74 2ckj h SER 123 Cb 1.41 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.89 2ckj h SER 123 CO 0.11 0.31 -0.43 -0.03 -1.14 0.00 0.00 176.83 175.65 2ckj h MET 124 N 0.07 -0.97 -0.69 3.45 -1.53 -0.93 -2.90 114.93 111.44 2ckj h MET 124 Ca 0.05 0.07 0.28 0.00 -3.44 0.00 0.00 59.70 56.65 2ckj h MET 124 Cb 0.17 0.22 -0.11 0.00 -0.55 0.00 0.00 31.60 31.33 2ckj h MET 124 CO -0.00 -0.64 0.39 0.98 0.14 0.00 0.00 176.91 177.77 2ckj n TYR 125 N -5.09 0.72 0.18 1.39 9.36 0.49 0.12 117.16 124.33 2ckj n TYR 125 Ca -0.12 0.73 0.12 0.00 3.32 0.00 0.00 57.90 61.94 2ckj n TYR 125 Cb 0.43 -1.16 0.03 0.00 -0.63 0.00 0.00 39.34 38.01 2ckj n TYR 125 CO 0.00 0.00 0.00 1.15 0.22 0.00 0.00 176.86 178.23 2ckj h THR 126 N 0.00 0.00 -0.08 2.97 2.02 -1.11 -2.83 112.91 113.89 2ckj h THR 126 Ca 0.56 -0.92 -0.16 0.00 0.77 0.00 0.00 66.41 66.66 2ckj h THR 126 Cb 1.53 1.44 -0.01 0.00 -1.74 0.00 0.00 68.15 69.38 2ckj h THR 126 CO -0.48 0.00 -0.66 0.25 0.37 0.00 0.00 175.52 175.00 2ckj h LEU 127 N 0.00 0.38 -0.48 2.58 5.85 -0.28 -2.83 115.31 120.53 2ckj h LEU 127 Ca 0.00 -0.23 -0.10 0.00 0.84 0.00 0.00 57.88 58.39 2ckj h LEU 127 Cb 0.96 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.86 2ckj h LEU 127 CO 0.00 0.93 -0.48 -0.07 -0.34 0.00 0.00 178.44 178.49 2ckj h LEU 128 N 0.23 0.00 0.00 2.25 3.38 -1.52 -2.03 115.31 117.62 2ckj h LEU 128 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2ckj h LEU 128 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 2ckj h LEU 128 CO 0.11 0.48 -0.06 -0.09 0.09 0.00 0.00 178.44 178.96 2ckj h ARG 129 N 0.00 0.00 0.00 1.13 9.65 -1.26 -3.33 114.38 120.57 2ckj h ARG 129 Ca -0.00 0.00 -0.07 0.00 -1.10 0.00 0.00 59.98 58.81 2ckj h ARG 129 Cb 1.17 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.73 2ckj h ARG 129 CO 0.06 0.00 -2.05 0.09 2.80 0.00 0.00 179.97 180.87 2ckj n ASN 130 N -2.62 0.08 -3.26 -3.80 3.02 -1.08 -4.90 115.26 102.71 2ckj n ASN 130 Ca 0.05 0.00 -0.04 0.00 -0.03 0.00 0.00 54.58 54.56 2ckj n ASN 130 Cb 0.48 1.80 -0.05 0.00 -0.61 0.00 0.00 39.78 41.40 2ckj n ASN 130 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 2ckj s GLN 131 N -3.31 0.45 0.00 3.52 2.00 -0.78 -5.06 119.66 116.47 2ckj s GLN 131 Ca -0.08 0.65 0.23 0.00 -2.00 0.00 0.00 55.36 54.16 2ckj s GLN 131 Cb 0.12 -0.06 0.75 0.00 0.80 0.00 0.00 33.01 34.62 2ckj s GLN 131 CO 0.88 -0.71 1.56 -0.35 -0.50 0.00 0.00 175.29 176.17 2ckj n PRO 132 N 5.39 1.85 -3.00 1.67 -0.05 -1.26 -3.96 135.00 135.65 2ckj n PRO 132 Ca -0.02 -1.27 -0.04 0.00 -0.05 0.00 0.00 63.50 62.13 2ckj n PRO 132 Cb 0.51 -1.44 -0.01 0.00 -0.05 0.00 0.00 33.50 32.51 2ckj n PRO 132 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 175.50 173.45 2ckj s GLU 133 N -1.83 0.95 0.88 0.54 2.12 -1.26 -4.98 118.70 115.12 2ckj s GLU 133 Ca 0.34 -0.78 -0.09 0.00 0.36 0.00 0.00 54.97 54.80 2ckj s GLU 133 Cb 0.19 -0.08 0.19 0.00 0.26 0.00 0.00 34.13 34.69 2ckj s GLU 133 CO 0.29 -1.27 1.20 -0.35 -0.54 0.00 0.00 175.26 174.59 2ckj n PRO 134 N 3.60 -0.77 -4.39 4.30 -0.04 -1.26 -4.84 135.00 131.59 2ckj n PRO 134 Ca 0.15 -2.41 -0.31 0.00 -0.04 0.00 0.00 63.50 60.89 2ckj n PRO 134 Cb 0.55 -1.06 -0.11 0.00 -0.04 0.00 0.00 33.50 32.85 2ckj n PRO 134 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2ckj s THR 135 N -3.59 3.29 0.51 0.52 -4.23 -1.26 -3.41 115.64 107.47 2ckj s THR 135 Ca 0.73 -1.12 0.29 0.00 -1.18 0.00 0.00 61.69 60.40 2ckj s THR 135 Cb -0.03 -2.48 0.46 0.00 1.34 0.00 0.00 72.50 71.79 2ckj s THR 135 CO 0.50 0.24 1.89 0.24 -0.54 0.00 0.00 174.62 176.94 2ckj h MET 136 N 4.08 0.08 0.00 3.99 2.86 -1.93 0.91 114.93 124.91 2ckj h MET 136 Ca -0.48 -0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.07 2ckj h MET 136 Cb 1.16 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.79 2ckj h MET 136 CO 0.51 0.05 -0.40 1.49 1.06 0.00 0.00 176.91 179.62 2ckj h GLU 137 N 0.08 0.00 0.00 1.72 4.81 -2.00 -2.57 114.58 116.62 2ckj h GLU 137 Ca 0.43 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.65 2ckj h GLU 137 Cb 1.57 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.95 2ckj h GLU 137 CO -0.04 0.40 -0.04 0.93 -0.73 0.00 0.00 179.01 179.53 2ckj h GLU 138 N 0.00 0.00 0.00 1.92 5.08 0.47 -3.18 114.58 118.86 2ckj h GLU 138 Ca -0.00 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.21 2ckj h GLU 138 Cb 0.95 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.18 2ckj h GLU 138 CO 0.05 0.02 -0.82 0.82 -1.00 0.00 0.00 179.01 178.08 2ckj h ILE 139 N 0.00 0.97 0.00 3.13 2.04 -1.43 -3.29 117.51 118.93 2ckj h ILE 139 Ca -0.00 -2.44 0.00 0.00 1.00 0.00 0.00 64.86 63.42 2ckj h ILE 139 Cb 1.01 2.44 0.00 0.00 -0.74 0.00 0.00 36.82 39.53 2ckj h ILE 139 CO 0.00 0.55 0.13 1.21 0.00 0.00 0.00 178.15 180.05 2ckj n GLU 140 N -3.18 0.00 0.00 2.37 4.07 -0.98 -2.91 120.64 120.02 2ckj n GLU 140 Ca -0.01 0.27 0.00 0.00 -0.06 0.00 0.00 57.16 57.36 2ckj n GLU 140 Cb 0.81 -1.63 0.00 0.00 -0.06 0.00 0.00 31.44 30.56 2ckj n GLU 140 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 2ckj n ASN 141 N -1.24 0.00 0.00 4.31 2.85 -1.26 -4.40 115.26 115.52 2ckj n ASN 141 Ca 0.00 0.00 0.13 0.00 -0.11 0.00 0.00 54.58 54.60 2ckj n ASN 141 Cb 0.13 0.00 0.62 0.00 1.24 0.00 0.00 39.78 41.78 2ckj n ASN 141 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2ckj n ALA 142 N 0.00 2.29 -0.28 5.20 0.00 -1.14 -3.98 120.51 122.60 2ckj n ALA 142 Ca 0.00 -0.11 0.08 0.00 0.00 0.00 0.00 53.44 53.41 2ckj n ALA 142 Cb 0.00 -1.44 0.22 0.00 0.00 0.00 0.00 19.45 18.23 2ckj n ALA 142 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2ckj n PHE 143 N -1.42 0.69 -0.31 0.00 3.72 -1.26 -4.40 117.46 114.48 2ckj n PHE 143 Ca 0.09 -0.51 -0.02 0.00 -0.05 0.00 0.00 57.45 56.96 2ckj n PHE 143 Cb 0.28 -0.03 0.10 0.00 -0.94 0.00 0.00 39.48 38.89 2ckj n PHE 143 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 176.76 178.67 2ckj h GLN 144 N 2.88 1.03 -0.13 -1.08 4.20 -1.86 -2.03 115.11 118.12 2ckj h GLN 144 Ca 0.00 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.65 2ckj h GLN 144 Cb 0.86 -0.23 0.00 0.00 0.30 0.00 0.00 27.48 28.41 2ckj h GLN 144 CO 0.01 0.68 0.00 0.41 -0.67 0.00 0.00 178.83 179.27 2ckj n GLY 145 N -1.33 -0.17 3.33 3.46 0.00 -1.26 -4.69 105.19 104.54 2ckj n GLY 145 Ca 0.10 -0.27 -0.32 0.00 0.00 0.00 0.00 46.02 45.53 2ckj n GLY 145 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2ckj s ASN 146 N -1.39 3.48 -0.08 1.61 -0.87 -0.76 -1.78 114.94 115.14 2ckj s ASN 146 Ca 0.25 -0.41 0.02 0.00 -1.57 0.00 0.00 52.86 51.16 2ckj s ASN 146 Cb 0.13 -1.03 0.01 0.00 -0.02 0.00 0.00 41.25 40.34 2ckj s ASN 146 CO 0.20 0.25 -0.14 -0.76 -2.57 0.00 0.00 177.10 174.07 2ckj s LEU 147 N -0.15 1.70 -0.04 0.60 1.43 -1.24 -4.63 118.68 116.35 2ckj s LEU 147 Ca -0.03 -0.35 0.07 0.00 -1.03 0.00 0.00 54.13 52.79 2ckj s LEU 147 Cb -0.14 -0.94 -0.02 0.00 0.03 0.00 0.00 46.19 45.12 2ckj s LEU 147 CO 0.04 0.04 -0.23 0.00 0.23 0.00 0.00 176.35 176.43 2ckj n ARG 149 N 2.57 0.65 0.15 0.00 3.00 -1.26 -4.53 116.66 117.24 2ckj n ARG 149 Ca -0.17 0.16 0.03 0.00 -0.00 0.00 0.00 57.85 57.87 2ckj n ARG 149 Cb 0.51 -1.69 0.03 0.00 0.00 0.00 0.00 32.46 31.32 2ckj n ARG 149 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2ckj n THR 151 N -3.22 0.00 -1.21 0.00 -2.24 -1.26 -4.29 114.28 102.06 2ckj n THR 151 Ca 0.02 -0.38 -0.07 0.00 -2.27 0.00 0.00 64.05 61.35 2ckj n THR 151 Cb 0.72 1.01 -0.03 0.00 -2.10 0.00 0.00 70.33 69.93 2ckj n THR 151 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ckj n GLY 152 N 1.06 0.69 1.71 3.38 0.00 -1.26 -4.13 105.19 106.65 2ckj n GLY 152 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2ckj n GLY 152 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2ckj n TYR 153 N -1.48 0.00 0.19 1.61 0.53 -1.26 -4.80 117.16 111.95 2ckj n TYR 153 Ca -0.07 0.00 -0.15 0.00 -1.02 0.00 0.00 57.90 56.66 2ckj n TYR 153 Cb 0.24 0.00 -0.07 0.00 -1.03 0.00 0.00 39.34 38.48 2ckj n TYR 153 CO 0.00 0.00 0.00 -0.09 -1.02 0.00 0.00 176.86 175.75 2ckj h ARG 154 N 0.00 -0.68 -1.00 -0.72 2.43 -1.99 -0.82 114.38 111.60 2ckj h ARG 154 Ca 0.00 0.05 0.23 0.00 -0.81 0.00 0.00 59.98 59.44 2ckj h ARG 154 Cb 0.00 0.15 -0.10 0.00 -0.42 0.00 0.00 29.97 29.60 2ckj h ARG 154 CO 0.00 -0.45 0.62 -1.00 -1.51 0.00 0.00 179.97 177.63 2ckj h PRO 155 N -0.71 0.56 -0.11 0.20 0.13 -1.87 -0.74 132.00 129.47 2ckj h PRO 155 Ca -0.01 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 65.08 2ckj h PRO 155 Cb 0.66 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 31.66 2ckj h PRO 155 CO -0.11 0.37 0.06 0.82 -0.23 0.00 0.00 178.00 178.91 2ckj h ILE 156 N 0.58 1.10 0.00 -3.56 2.04 -1.47 -0.83 117.51 115.37 2ckj h ILE 156 Ca 0.58 -0.28 -0.14 0.00 1.00 0.00 0.00 64.86 66.03 2ckj h ILE 156 Cb 1.17 1.09 -0.02 0.00 -0.74 0.00 0.00 36.82 38.32 2ckj h ILE 156 CO -0.35 0.09 -0.67 -0.07 0.00 0.00 0.00 178.15 177.14 2ckj h LEU 157 N 0.07 0.00 0.12 1.44 3.38 -0.93 -0.92 115.31 118.46 2ckj h LEU 157 Ca 0.04 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.73 2ckj h LEU 157 Cb 0.09 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 2ckj h LEU 157 CO -0.01 0.67 -1.29 -0.61 0.09 0.00 0.00 178.44 177.30 2ckj h GLN 158 N 0.00 0.25 0.00 1.13 4.15 -1.09 -0.39 115.11 119.16 2ckj h GLN 158 Ca -0.01 -0.42 0.00 0.00 0.77 0.00 0.00 58.65 58.99 2ckj h GLN 158 Cb 1.25 0.16 0.00 0.00 0.21 0.00 0.00 27.48 29.10 2ckj h GLN 158 CO 0.09 1.18 0.00 0.41 -1.93 0.00 0.00 178.83 178.57 2ckj n GLY 159 N 1.55 -3.03 0.02 2.39 0.00 -0.33 -3.18 105.19 102.61 2ckj n GLY 159 Ca -0.09 0.41 0.08 0.00 0.00 0.00 0.00 46.02 46.42 2ckj n GLY 159 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2ckj n PHE 160 N -2.14 0.13 -0.14 1.61 3.72 -0.36 -2.89 117.46 117.38 2ckj n PHE 160 Ca 0.00 0.05 -0.03 0.00 -0.05 0.00 0.00 57.45 57.42 2ckj n PHE 160 Cb 0.00 -0.58 0.04 0.00 -0.94 0.00 0.00 39.48 38.00 2ckj n PHE 160 CO 0.00 0.00 0.00 0.07 -0.05 0.00 0.00 176.76 176.78 2ckj h ARG 161 N 0.00 0.07 -0.36 -1.08 0.11 -1.02 -0.29 114.38 111.81 2ckj h ARG 161 Ca 0.00 -0.00 0.11 0.00 0.10 0.00 0.00 59.98 60.18 2ckj h ARG 161 Cb 0.29 -0.02 -0.02 0.00 1.11 0.00 0.00 29.97 31.34 2ckj h ARG 161 CO 0.00 0.05 0.25 -2.37 0.10 0.00 0.00 179.97 178.00 2ckj n THR 162 N -5.26 -0.01 1.20 0.08 5.66 -1.14 -0.72 114.28 114.09 2ckj n THR 162 Ca 0.04 0.30 0.12 0.00 -3.05 0.00 0.00 64.05 61.46 2ckj n THR 162 Cb 0.25 -0.50 0.38 0.00 -1.55 0.00 0.00 70.33 68.92 2ckj n THR 162 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 175.07 172.51 2ckj n PHE 163 N -2.51 0.16 -3.86 1.09 3.01 -0.12 -4.92 117.46 110.31 2ckj n PHE 163 Ca 0.08 -0.08 -0.30 0.00 1.01 0.00 0.00 57.45 58.17 2ckj n PHE 163 Cb 0.37 0.00 -0.16 0.00 -0.01 0.00 0.00 39.48 39.68 2ckj n PHE 163 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2ckj s ALA 164 N -1.84 1.78 0.00 4.37 0.00 0.10 -4.34 121.76 121.83 2ckj s ALA 164 Ca 0.34 -1.43 0.00 0.00 0.00 0.00 0.00 51.96 50.88 2ckj s ALA 164 Cb 0.19 -1.48 0.00 0.00 0.00 0.00 0.00 23.12 21.83 2ckj s ALA 164 CO 0.29 -1.35 0.00 0.54 0.00 0.00 0.00 175.76 175.24 2ckj n ARG 165 N 4.74 0.00 0.00 0.00 1.74 -1.22 -4.71 116.66 117.21 2ckj n ARG 165 Ca -0.07 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.01 2ckj n ARG 165 Cb 0.44 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.88 2ckj n ARG 165 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2ckj n PRO 193 N 0.00 0.00 -0.66 5.56 -0.04 -1.26 -4.65 135.00 133.95 2ckj n PRO 193 Ca 0.00 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.15 2ckj n PRO 193 Cb 0.00 -0.08 0.18 0.00 -0.04 0.00 0.00 33.50 33.56 2ckj n PRO 193 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2ckj n SER 194 N 0.12 -1.74 -0.06 3.54 2.88 -1.26 -4.82 113.62 112.28 2ckj n SER 194 Ca 0.00 0.08 -0.09 0.00 -1.33 0.00 0.00 58.87 57.53 2ckj n SER 194 Cb 0.00 -1.18 -0.15 0.00 -0.75 0.00 0.00 64.21 62.14 2ckj n SER 194 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2ckj n LEU 195 N -2.72 0.45 -3.52 2.46 4.77 -1.26 -5.01 117.00 112.17 2ckj n LEU 195 Ca 0.05 0.22 -0.18 0.00 -0.03 0.00 0.00 56.01 56.07 2ckj n LEU 195 Cb 0.56 0.32 -0.06 0.00 -2.33 0.00 0.00 43.42 41.92 2ckj n LEU 195 CO 0.52 0.43 0.46 0.72 -1.33 0.00 0.00 177.39 178.20 2ckj s PHE 196 N -2.56 -0.64 -0.47 -1.77 -0.12 -1.26 -5.00 117.98 106.16 2ckj s PHE 196 Ca -0.07 1.10 -0.12 0.00 -0.05 0.00 0.00 56.93 57.80 2ckj s PHE 196 Cb 0.07 0.41 0.10 0.00 -0.63 0.00 0.00 43.02 42.97 2ckj s PHE 196 CO 0.83 -0.59 0.36 0.15 -0.05 0.00 0.00 175.22 175.91 2ckj s LYS 197 N -1.18 2.70 0.00 1.99 -0.14 -1.26 -4.90 119.74 116.95 2ckj s LYS 197 Ca -0.10 -1.59 0.28 0.00 -1.36 0.00 0.00 55.97 53.19 2ckj s LYS 197 Cb -0.00 -3.99 1.00 0.00 -1.68 0.00 0.00 37.83 33.16 2ckj s LYS 197 CO 0.09 -1.12 1.73 -0.35 -0.76 0.00 0.00 175.35 174.95 2ckj n PRO 198 N 5.03 0.39 0.00 -1.68 -0.05 -1.26 -2.06 135.00 135.37 2ckj n PRO 198 Ca -0.10 -0.15 0.10 0.00 -0.05 0.00 0.00 63.50 63.29 2ckj n PRO 198 Cb 0.42 -1.50 0.62 0.00 -0.05 0.00 0.00 33.50 32.99 2ckj n PRO 198 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 175.50 174.60 2ckj n GLU 199 N -1.17 0.65 0.00 0.54 0.00 -1.26 -3.12 120.64 116.28 2ckj n GLU 199 Ca 0.10 0.00 0.05 0.00 0.00 0.00 0.00 57.16 57.32 2ckj n GLU 199 Cb 0.31 -1.50 -0.02 0.00 0.00 0.00 0.00 31.44 30.24 2ckj n GLU 199 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 2ckj n GLU 200 N -1.00 2.41 -1.63 3.44 2.13 -0.87 -5.00 120.64 120.12 2ckj n GLU 200 Ca 0.16 -0.47 -0.50 0.00 0.66 0.00 0.00 57.16 57.01 2ckj n GLU 200 Cb 0.07 -1.09 -0.05 0.00 0.27 0.00 0.00 31.44 30.64 2ckj n GLU 200 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 2ckj n PHE 201 N -0.50 1.91 -2.32 4.31 0.99 -1.18 -4.97 117.46 115.69 2ckj n PHE 201 Ca 0.04 0.44 -0.41 0.00 -0.00 0.00 0.00 57.45 57.52 2ckj n PHE 201 Cb 0.22 -2.45 -0.03 0.00 -1.00 0.00 0.00 39.48 36.22 2ckj n PHE 201 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.76 177.71 2ckj s THR 202 N 1.00 3.37 -0.08 4.37 -4.23 -1.26 -4.97 115.64 113.85 2ckj s THR 202 Ca 0.83 1.20 -0.07 0.00 -1.18 0.00 0.00 61.69 62.47 2ckj s THR 202 Cb -0.83 -3.76 -0.28 0.00 1.34 0.00 0.00 72.50 68.97 2ckj s THR 202 CO 0.44 0.21 0.54 1.55 -0.54 0.00 0.00 174.62 176.82 2ckj h PRO 203 N 4.85 0.30 -0.40 3.99 0.14 -2.00 -3.44 132.00 135.46 2ckj h PRO 203 Ca -0.45 -0.52 0.00 0.00 0.14 0.00 0.00 66.00 65.17 2ckj h PRO 203 Cb 1.21 0.19 0.00 0.00 0.14 0.00 0.00 31.00 32.55 2ckj h PRO 203 CO 0.73 1.21 0.00 -0.11 0.14 0.00 0.00 178.00 179.97 2ckj n LEU 204 N -3.50 -0.49 -3.85 1.56 7.94 -1.26 -5.06 117.00 112.34 2ckj n LEU 204 Ca -0.27 0.00 -0.30 0.00 -1.11 0.00 0.00 56.01 54.33 2ckj n LEU 204 Cb 1.06 -0.24 -0.15 0.00 0.53 0.00 0.00 43.42 44.61 2ckj n LEU 204 CO 0.47 0.00 -0.36 -0.62 -1.11 0.00 0.00 177.39 175.77 2ckj s ASP 205 N 0.00 4.00 0.00 1.96 -1.08 -1.26 -5.01 116.67 115.28 2ckj s ASP 205 Ca 0.00 -1.52 0.25 0.00 -0.52 0.00 0.00 52.55 50.76 2ckj s ASP 205 Cb 0.00 -1.07 1.45 0.00 -1.46 0.00 0.00 42.92 41.84 2ckj s ASP 205 CO 0.00 -0.35 1.87 -2.65 0.52 0.00 0.00 175.17 174.56 2ckj n PRO 206 N 4.71 0.67 0.00 4.34 -0.02 -1.26 -2.41 135.00 141.03 2ckj n PRO 206 Ca -0.04 0.02 0.13 0.00 -2.02 0.00 0.00 63.50 61.58 2ckj n PRO 206 Cb 0.43 -1.50 0.68 0.00 -0.02 0.00 0.00 33.50 33.09 2ckj n PRO 206 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2ckj n THR 207 N -1.08 0.14 0.53 3.45 -2.24 -1.26 -3.68 114.28 110.14 2ckj n THR 207 Ca 0.17 0.03 0.07 0.00 -2.27 0.00 0.00 64.05 62.05 2ckj n THR 207 Cb 0.12 -0.60 0.06 0.00 -2.10 0.00 0.00 70.33 67.81 2ckj n THR 207 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 2ckj n GLN 208 N -1.25 0.90 -1.22 -0.78 -0.06 -1.01 -4.98 117.38 108.98 2ckj n GLN 208 Ca 0.13 -1.32 -0.31 0.00 -2.00 0.00 0.00 57.00 53.51 2ckj n GLN 208 Cb 0.20 -1.26 0.11 0.00 -4.06 0.00 0.00 30.24 25.23 2ckj n GLN 208 CO 0.00 0.00 0.00 -1.21 -0.20 0.00 0.00 177.06 175.65 2ckj s GLU 209 N -1.10 1.89 0.59 3.69 0.41 -1.24 -5.05 118.70 117.88 2ckj s GLU 209 Ca 0.16 1.07 -0.11 0.00 -0.41 0.00 0.00 54.97 55.68 2ckj s GLU 209 Cb 0.11 -1.86 -0.04 0.00 -1.78 0.00 0.00 34.13 30.55 2ckj s GLU 209 CO 0.17 -1.87 0.99 -1.25 -0.49 0.00 0.00 175.26 172.80 2ckj s PRO 210 N -4.90 3.64 -0.13 0.39 0.04 -1.26 -5.00 135.00 127.78 2ckj s PRO 210 Ca 0.62 0.70 -0.19 0.00 0.04 0.00 0.00 61.00 62.17 2ckj s PRO 210 Cb -0.18 -2.13 -0.04 0.00 0.04 0.00 0.00 34.50 32.20 2ckj s PRO 210 CO 0.56 -0.48 0.54 -1.50 0.04 0.00 0.00 177.00 176.17 2ckj s ILE 211 N -3.04 5.13 -0.22 0.56 -1.16 -1.26 -4.99 121.20 116.22 2ckj s ILE 211 Ca 0.54 1.07 -0.33 0.00 -0.51 0.00 0.00 60.65 61.42 2ckj s ILE 211 Cb -0.11 -3.87 -0.10 0.00 0.61 0.00 0.00 42.46 38.98 2ckj s ILE 211 CO 0.50 0.27 2.06 0.33 -2.81 0.00 0.00 174.94 175.29 2ckj n PHE 212 N 4.00 1.98 -1.72 3.50 7.35 -1.26 -4.68 117.46 126.63 2ckj n PHE 212 Ca -0.05 0.09 -0.42 0.00 -0.76 0.00 0.00 57.45 56.31 2ckj n PHE 212 Cb 0.51 -2.62 -0.03 0.00 0.35 0.00 0.00 39.48 37.69 2ckj n PHE 212 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 2ckj n PRO 213 N 7.62 2.78 0.00 -7.13 -0.02 -1.26 -4.82 135.00 132.17 2ckj n PRO 213 Ca 0.31 1.00 0.13 0.00 -2.02 0.00 0.00 63.50 62.92 2ckj n PRO 213 Cb 0.30 -2.84 0.62 0.00 -0.02 0.00 0.00 33.50 31.56 2ckj n PRO 213 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2ckj n PRO 214 N 3.64 0.16 0.06 0.52 -0.04 -1.26 -2.56 135.00 135.53 2ckj n PRO 214 Ca 0.15 0.04 -0.09 0.00 -0.04 0.00 0.00 63.50 63.55 2ckj n PRO 214 Cb 0.35 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.19 2ckj n PRO 214 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2ckj h GLU 215 N 0.00 0.06 -7.19 0.54 4.81 -1.99 -3.31 114.58 107.50 2ckj h GLU 215 Ca 0.00 -0.10 -0.45 0.00 -0.13 0.00 0.00 59.36 58.68 2ckj h GLU 215 Cb 0.38 0.04 0.20 0.00 0.63 0.00 0.00 28.75 29.99 2ckj h GLU 215 CO 0.00 1.01 0.07 -0.51 -0.73 0.00 0.00 179.01 178.85 2ckj s LEU 216 N -6.76 1.24 0.00 1.64 1.43 -1.06 -2.50 118.68 112.67 2ckj s LEU 216 Ca -0.01 1.58 0.00 0.00 -1.03 0.00 0.00 54.13 54.68 2ckj s LEU 216 Cb 0.09 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.71 2ckj s LEU 216 CO 0.83 -3.90 0.00 0.18 0.23 0.00 0.00 176.35 173.69 2ckj n LEU 217 N -4.72 0.00 0.11 1.79 4.77 -1.26 -4.38 117.00 113.30 2ckj n LEU 217 Ca 0.05 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.10 2ckj n LEU 217 Cb 0.54 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.64 2ckj n LEU 217 CO 0.56 0.00 0.11 0.03 -1.33 0.00 0.00 177.39 176.76 2ckj h ARG 218 N 0.00 0.00 0.00 3.23 3.08 -1.57 -3.41 114.38 115.71 2ckj h ARG 218 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2ckj h ARG 218 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 2ckj h ARG 218 CO 0.00 0.14 0.00 1.28 -1.07 0.00 0.00 179.97 180.32 2ckj n LEU 219 N -2.87 0.00 0.00 3.04 7.99 -1.18 -4.60 117.00 119.39 2ckj n LEU 219 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.98 2ckj n LEU 219 Cb 0.65 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.96 2ckj n LEU 219 CO 0.40 0.00 0.00 2.29 -1.51 0.00 0.00 177.39 178.57 2ckj n LYS 220 N 0.00 0.00 0.00 3.23 2.85 -1.26 -3.48 118.16 119.50 2ckj n LYS 220 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 2ckj n LYS 220 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 2ckj n LYS 220 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2ckj n ASP 221 N 0.00 0.00 0.00 -5.58 8.00 -1.26 -4.95 116.55 112.76 2ckj n ASP 221 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 2ckj n ASP 221 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 2ckj n ASP 221 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2ckj n THR 222 N -1.35 0.00 -2.90 -3.53 -1.04 -1.23 -4.85 114.28 99.39 2ckj n THR 222 Ca 0.00 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 61.70 2ckj n THR 222 Cb 0.00 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.47 2ckj n THR 222 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2ckj s PRO 223 N 0.00 3.84 0.59 -2.82 0.04 -1.26 -4.97 135.00 130.42 2ckj s PRO 223 Ca 0.00 0.54 -0.17 0.00 0.04 0.00 0.00 61.00 61.41 2ckj s PRO 223 Cb 0.00 -2.39 -0.03 0.00 0.04 0.00 0.00 34.50 32.12 2ckj s PRO 223 CO 0.00 -0.00 1.10 -0.98 0.04 0.00 0.00 177.00 177.16 2ckj s ARG 224 N -3.65 3.17 0.19 4.56 1.70 -1.26 -5.05 118.95 118.60 2ckj s ARG 224 Ca 0.52 1.44 0.06 0.00 -0.47 0.00 0.00 55.73 57.28 2ckj s ARG 224 Cb -0.10 -2.00 -0.05 0.00 -0.57 0.00 0.00 34.95 32.23 2ckj s ARG 224 CO 0.28 -0.96 -0.11 -1.59 -1.08 0.00 0.00 175.30 171.83 2ckj s LYS 225 N -3.73 1.24 0.68 3.89 0.00 -1.26 -5.04 119.74 115.52 2ckj s LYS 225 Ca 0.68 -1.56 -0.17 0.00 0.00 0.00 0.00 55.97 54.93 2ckj s LYS 225 Cb -0.21 -0.90 0.01 0.00 0.00 0.00 0.00 37.83 36.74 2ckj s LYS 225 CO 0.34 0.11 1.25 1.14 0.00 0.00 0.00 175.35 178.19 2ckj s GLN 226 N -3.71 2.40 0.12 1.78 -2.07 -1.26 -4.89 119.66 112.03 2ckj s GLN 226 Ca 0.21 1.93 0.09 0.00 -1.82 0.00 0.00 55.36 55.77 2ckj s GLN 226 Cb 0.01 -1.84 -0.04 0.00 -1.09 0.00 0.00 33.01 30.05 2ckj s GLN 226 CO 0.05 -1.68 -0.23 -0.51 -1.32 0.00 0.00 175.29 171.60 2ckj s LEU 227 N -4.67 2.32 -0.04 2.60 1.43 -0.90 -5.00 118.68 114.41 2ckj s LEU 227 Ca 0.79 -0.72 -0.01 0.00 -1.03 0.00 0.00 54.13 53.16 2ckj s LEU 227 Cb -0.34 -1.02 0.03 0.00 0.03 0.00 0.00 46.19 44.89 2ckj s LEU 227 CO 0.41 0.10 0.02 -0.60 0.23 0.00 0.00 176.35 176.52 2ckj s ARG 228 N -2.01 0.24 0.08 1.70 3.52 -1.26 0.13 118.95 121.34 2ckj s ARG 228 Ca 0.10 0.19 0.04 0.00 -0.13 0.00 0.00 55.73 55.93 2ckj s ARG 228 Cb -0.10 -0.60 -0.04 0.00 -1.56 0.00 0.00 34.95 32.65 2ckj s ARG 228 CO 0.05 -0.24 0.02 -0.06 -0.81 0.00 0.00 175.30 174.26 2ckj s PHE 229 N 1.63 3.06 -0.11 5.12 0.40 -0.82 -1.87 117.98 125.39 2ckj s PHE 229 Ca -0.01 0.02 0.02 0.00 -0.60 0.00 0.00 56.93 56.35 2ckj s PHE 229 Cb -0.13 -1.58 0.01 0.00 0.51 0.00 0.00 43.02 41.84 2ckj s PHE 229 CO -0.03 0.49 -0.16 -1.21 0.70 0.00 0.00 175.22 175.01 2ckj s GLU 230 N -2.24 2.32 0.00 0.44 2.02 -1.26 -2.64 118.70 117.33 2ckj s GLU 230 Ca 0.26 -0.60 0.00 0.00 0.02 0.00 0.00 54.97 54.65 2ckj s GLU 230 Cb -0.12 -1.95 0.00 0.00 0.10 0.00 0.00 34.13 32.16 2ckj s GLU 230 CO 0.18 -0.05 0.00 0.41 0.02 0.00 0.00 175.26 175.82 2ckj n GLY 231 N 4.17 1.56 0.04 -1.39 0.00 -0.89 -4.76 105.19 103.91 2ckj n GLY 231 Ca -0.19 -1.57 -0.01 0.00 0.00 0.00 0.00 46.02 44.25 2ckj n GLY 231 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2ckj n GLU 232 N 0.00 1.53 0.00 1.61 2.13 -1.26 -4.79 120.64 119.86 2ckj n GLU 232 Ca 0.00 -0.04 0.00 0.00 0.66 0.00 0.00 57.16 57.78 2ckj n GLU 232 Cb 0.00 -1.28 0.00 0.00 0.27 0.00 0.00 31.44 30.43 2ckj n GLU 232 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2ckj n ARG 233 N -2.23 0.00 -4.39 5.31 1.74 -1.26 -5.13 116.66 110.71 2ckj n ARG 233 Ca -0.12 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.67 2ckj n ARG 233 Cb 0.66 -0.27 -0.13 0.00 -1.02 0.00 0.00 32.46 31.70 2ckj n ARG 233 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2ckj s VAL 234 N -1.00 2.24 -0.10 1.55 1.01 -1.26 -4.78 120.40 118.05 2ckj s VAL 234 Ca 0.00 -1.76 0.03 0.00 0.00 0.00 0.00 61.98 60.25 2ckj s VAL 234 Cb 0.00 -1.98 0.01 0.00 0.00 0.00 0.00 36.38 34.40 2ckj s VAL 234 CO 0.00 0.07 -0.20 -0.89 0.00 0.00 0.00 175.10 174.08 2ckj s THR 235 N -1.09 1.81 -0.13 3.92 2.01 -0.41 -2.10 115.64 119.65 2ckj s THR 235 Ca 0.14 -0.86 0.02 0.00 0.31 0.00 0.00 61.69 61.30 2ckj s THR 235 Cb -0.10 -1.59 -0.00 0.00 0.01 0.00 0.00 72.50 70.82 2ckj s THR 235 CO 0.06 0.50 -0.20 0.86 -0.69 0.00 0.00 174.62 175.16 2ckj s TRP 236 N 0.55 2.68 -0.19 4.92 -0.11 -1.08 -0.15 118.94 125.55 2ckj s TRP 236 Ca -0.15 -1.04 0.01 0.00 1.22 0.00 0.00 56.10 56.14 2ckj s TRP 236 Cb -0.17 -1.80 0.03 0.00 -1.50 0.00 0.00 33.47 30.03 2ckj s TRP 236 CO 0.05 -0.44 -0.15 0.42 -4.62 0.00 0.00 176.95 172.22 2ckj s ILE 237 N 0.56 1.84 -0.44 5.86 1.01 0.09 -1.94 121.20 128.20 2ckj s ILE 237 Ca -0.12 -0.99 -0.22 0.00 0.00 0.00 0.00 60.65 59.32 2ckj s ILE 237 Cb -0.16 -1.79 0.02 0.00 0.01 0.00 0.00 42.46 40.53 2ckj s ILE 237 CO 0.04 0.33 0.75 -1.58 0.00 0.00 0.00 174.94 174.48 2ckj s GLN 238 N 1.34 3.42 0.35 2.79 2.00 0.36 -2.17 119.66 127.74 2ckj s GLN 238 Ca 0.01 -0.12 -0.11 0.00 -2.00 0.00 0.00 55.36 53.14 2ckj s GLN 238 Cb -0.15 -3.92 -0.07 0.00 0.80 0.00 0.00 33.01 29.67 2ckj s GLN 238 CO -0.10 -1.06 0.71 0.00 -0.50 0.00 0.00 175.29 174.34 2ckj s ALA 239 N 3.15 3.41 0.00 1.58 0.00 -1.14 -2.12 121.76 126.64 2ckj s ALA 239 Ca 0.28 -0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.04 2ckj s ALA 239 Cb -0.13 -2.63 0.00 0.00 0.00 0.00 0.00 23.12 20.36 2ckj s ALA 239 CO 0.21 0.16 0.00 -1.13 0.00 0.00 0.00 175.76 175.00 2ckj n SER 240 N -0.90 4.16 -4.99 0.00 3.41 -1.26 -4.51 113.62 109.53 2ckj n SER 240 Ca 0.02 0.00 -0.19 0.00 -0.26 0.00 0.00 58.87 58.44 2ckj n SER 240 Cb 0.54 0.14 -0.00 0.00 -0.26 0.00 0.00 64.21 64.62 2ckj n SER 240 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2ckj s THR 241 N -1.97 3.85 0.09 6.66 -1.32 -1.26 -4.58 115.64 117.11 2ckj s THR 241 Ca 0.00 -1.01 -0.26 0.00 -1.21 0.00 0.00 61.69 59.21 2ckj s THR 241 Cb 0.00 -3.32 -0.15 0.00 -1.51 0.00 0.00 72.50 67.51 2ckj s THR 241 CO 0.00 -0.13 1.71 0.25 -2.21 0.00 0.00 174.62 174.24 2ckj h LEU 242 N 0.86 -0.23 -0.76 9.08 5.85 -1.96 -3.09 115.31 125.07 2ckj h LEU 242 Ca -0.45 0.01 0.13 0.00 0.84 0.00 0.00 57.88 58.41 2ckj h LEU 242 Cb 1.26 0.06 -0.13 0.00 0.37 0.00 0.00 40.66 42.22 2ckj h LEU 242 CO 0.52 -0.15 -0.34 0.50 -0.34 0.00 0.00 178.44 178.62 2ckj h LYS 243 N -0.25 -0.08 0.00 1.25 3.64 -2.00 -1.01 116.57 118.12 2ckj h LYS 243 Ca -0.02 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2ckj h LYS 243 Cb 0.20 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 2ckj h LYS 243 CO 0.03 -0.06 0.00 1.05 -2.27 0.00 0.00 179.45 178.20 2ckj h GLU 244 N -0.09 0.00 0.26 1.90 4.11 -1.96 -2.11 114.58 116.69 2ckj h GLU 244 Ca 0.29 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.71 2ckj h GLU 244 Cb 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.83 2ckj h GLU 244 CO -0.81 0.00 -0.13 1.25 0.07 0.00 0.00 179.01 179.40 2ckj h LEU 245 N 0.00 -0.30 -1.57 3.06 5.85 -1.25 -2.82 115.31 118.28 2ckj h LEU 245 Ca 0.00 -0.23 0.17 0.00 0.84 0.00 0.00 57.88 58.67 2ckj h LEU 245 Cb 0.42 0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.47 2ckj h LEU 245 CO 0.00 0.17 0.54 -0.07 -0.34 0.00 0.00 178.44 178.74 2ckj h LEU 246 N -0.88 0.38 -0.05 2.25 3.38 -0.93 -1.36 115.31 118.10 2ckj h LEU 246 Ca -0.04 0.03 -0.25 0.00 0.09 0.00 0.00 57.88 57.71 2ckj h LEU 246 Cb 0.51 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 41.23 2ckj h LEU 246 CO 0.06 0.18 -1.07 0.44 0.09 0.00 0.00 178.44 178.14 2ckj h ASP 247 N 0.39 0.61 0.60 -0.43 3.32 -1.46 -1.42 116.42 118.03 2ckj h ASP 247 Ca 0.41 -0.54 -0.03 0.00 0.02 0.00 0.00 57.03 56.90 2ckj h ASP 247 Cb 1.01 -0.19 0.01 0.00 0.22 0.00 0.00 39.33 40.37 2ckj h ASP 247 CO -0.14 1.35 -0.29 0.25 -1.72 0.00 0.00 179.24 178.70 2ckj h LEU 248 N 0.23 -0.68 -1.68 1.55 5.85 -1.12 -2.43 115.31 117.04 2ckj h LEU 248 Ca -0.12 -0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.61 2ckj h LEU 248 Cb 1.73 0.18 -0.02 0.00 0.37 0.00 0.00 40.66 42.91 2ckj h LEU 248 CO 0.19 -0.35 0.28 0.11 -0.34 0.00 0.00 178.44 178.34 2ckj h LYS 249 N -1.02 0.41 -0.63 1.25 1.79 -1.27 -0.33 116.57 116.77 2ckj h LYS 249 Ca -0.08 -0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.35 2ckj h LYS 249 Cb 0.67 -0.09 -0.03 0.00 -1.58 0.00 0.00 32.23 31.20 2ckj h LYS 249 CO 0.13 0.27 0.34 0.00 -1.08 0.00 0.00 179.45 179.11 2ckj h ALA 250 N 1.76 0.80 -0.01 3.86 0.00 -1.14 -2.72 119.26 121.82 2ckj h ALA 250 Ca 0.18 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2ckj h ALA 250 Cb 0.18 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2ckj h ALA 250 CO -0.04 0.33 -0.14 0.00 0.00 0.00 0.00 179.25 179.40 2ckj n GLN 251 N -4.54 1.06 -3.08 0.00 10.64 -0.61 -4.60 117.38 116.25 2ckj n GLN 251 Ca 0.04 -0.56 -0.17 0.00 -1.83 0.00 0.00 57.00 54.49 2ckj n GLN 251 Cb 0.09 -1.49 -0.04 0.00 -0.86 0.00 0.00 30.24 27.94 2ckj n GLN 251 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.06 175.95 2ckj n HIS 252 N -0.48 -2.08 0.91 2.61 8.25 -0.23 -5.01 115.22 119.18 2ckj n HIS 252 Ca 0.15 -2.53 0.11 0.00 -0.26 0.00 0.00 57.72 55.19 2ckj n HIS 252 Cb 0.32 0.72 0.51 0.00 1.12 0.00 0.00 29.99 32.67 2ckj n HIS 252 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 2ckj n PRO 253 N 2.49 0.18 -0.16 -0.41 -0.02 -1.11 -2.72 135.00 133.25 2ckj n PRO 253 Ca 0.22 0.10 0.08 0.00 -2.02 0.00 0.00 63.50 61.89 2ckj n PRO 253 Cb 0.53 -1.50 0.17 0.00 -0.02 0.00 0.00 33.50 32.68 2ckj n PRO 253 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2ckj n ASP 254 N -1.38 3.01 -4.75 2.55 5.75 -1.26 -4.53 116.55 115.95 2ckj n ASP 254 Ca 0.08 -1.88 -0.41 0.00 -0.01 0.00 0.00 54.79 52.57 2ckj n ASP 254 Cb 0.21 -0.21 -0.04 0.00 -1.03 0.00 0.00 41.12 40.04 2ckj n ASP 254 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2ckj s ALA 255 N -1.16 3.41 -0.20 2.12 0.00 -1.10 -4.84 121.76 119.98 2ckj s ALA 255 Ca 0.29 0.90 -0.06 0.00 0.00 0.00 0.00 51.96 53.10 2ckj s ALA 255 Cb 0.17 -3.37 -0.03 0.00 0.00 0.00 0.00 23.12 19.89 2ckj s ALA 255 CO 0.23 -0.26 0.02 0.21 0.00 0.00 0.00 175.76 175.96 2ckj s LYS 256 N -0.75 3.68 0.14 0.00 2.47 -0.65 -4.92 119.74 119.72 2ckj s LYS 256 Ca 0.49 -0.49 -0.30 0.00 -1.56 0.00 0.00 55.97 54.11 2ckj s LYS 256 Cb -0.32 -3.14 -0.07 0.00 -1.46 0.00 0.00 37.83 32.85 2ckj s LYS 256 CO 0.38 0.03 1.08 -0.51 0.16 0.00 0.00 175.35 176.49 2ckj s LEU 257 N 0.99 4.47 -0.09 5.43 1.43 -1.25 -0.81 118.68 128.85 2ckj s LEU 257 Ca 0.02 2.00 0.01 0.00 -1.03 0.00 0.00 54.13 55.14 2ckj s LEU 257 Cb -0.14 -3.60 0.02 0.00 0.03 0.00 0.00 46.19 42.50 2ckj s LEU 257 CO 0.02 -0.23 -0.10 -0.69 0.23 0.00 0.00 176.35 175.58 2ckj s VAL 258 N 0.04 1.08 0.00 -1.59 1.01 -0.94 -4.95 120.40 115.06 2ckj s VAL 258 Ca 0.50 -0.39 0.00 0.00 0.00 0.00 0.00 61.98 62.09 2ckj s VAL 258 Cb -0.28 -1.04 0.00 0.00 0.00 0.00 0.00 36.38 35.06 2ckj s VAL 258 CO 0.33 0.36 0.00 0.52 0.00 0.00 0.00 175.10 176.31 2ckj n VAL 259 N 4.33 0.00 0.18 2.92 0.31 -1.26 -4.00 118.33 120.81 2ckj n VAL 259 Ca -0.18 0.00 0.08 0.00 -0.01 0.00 0.00 64.34 64.23 2ckj n VAL 259 Cb 0.51 -0.56 0.10 0.00 -0.91 0.00 0.00 33.84 32.98 2ckj n VAL 259 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 2ckj h GLY 260 N 0.00 0.00 -0.01 2.92 0.00 -1.94 -3.48 103.07 100.55 2ckj h GLY 260 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2ckj h GLY 260 CO 0.00 0.00 -0.00 -2.01 0.00 0.00 0.00 176.54 174.53 2ckj n ASN 261 N -3.11 -5.28 0.00 0.19 5.15 -1.26 -4.81 115.26 106.14 2ckj n ASN 261 Ca 0.03 0.01 0.05 0.00 -0.60 0.00 0.00 54.58 54.07 2ckj n ASN 261 Cb 0.61 -2.80 0.32 0.00 -0.53 0.00 0.00 39.78 37.37 2ckj n ASN 261 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 2ckj n THR 262 N -2.24 0.00 0.03 -0.44 -2.24 -1.26 -1.45 114.28 106.68 2ckj n THR 262 Ca -0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2ckj n THR 262 Cb 0.38 -0.69 0.00 0.00 -2.10 0.00 0.00 70.33 67.93 2ckj n THR 262 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2ckj n GLU 263 N -0.90 0.00 -0.28 -0.78 4.07 -1.26 -4.55 120.64 116.94 2ckj n GLU 263 Ca 0.08 0.00 0.10 0.00 -0.06 0.00 0.00 57.16 57.27 2ckj n GLU 263 Cb 0.04 -0.23 0.24 0.00 -0.06 0.00 0.00 31.44 31.43 2ckj n GLU 263 CO 0.00 0.00 0.00 0.82 -0.06 0.00 0.00 177.13 177.89 2ckj h ILE 264 N 0.00 0.45 -0.76 6.31 1.08 -1.97 0.19 117.51 122.81 2ckj h ILE 264 Ca 0.00 -0.10 0.17 0.00 -0.39 0.00 0.00 64.86 64.54 2ckj h ILE 264 Cb 0.00 0.13 -0.12 0.00 -3.07 0.00 0.00 36.82 33.77 2ckj h ILE 264 CO 0.00 0.05 0.18 1.23 -0.69 0.00 0.00 178.15 178.93 2ckj h GLY 265 N 0.29 1.08 0.60 5.37 0.00 -1.54 0.14 103.07 109.02 2ckj h GLY 265 Ca 0.49 -0.03 -0.01 0.00 0.00 0.00 0.00 47.33 47.78 2ckj h GLY 265 CO -0.55 -0.23 -0.09 -2.22 0.00 0.00 0.00 176.54 173.44 2ckj h ILE 266 N 0.26 0.90 -0.49 2.60 1.08 -0.90 -2.66 117.51 118.30 2ckj h ILE 266 Ca 0.44 -0.77 0.10 0.00 -0.39 0.00 0.00 64.86 64.24 2ckj h ILE 266 Cb 0.77 1.34 -0.09 0.00 -3.07 0.00 0.00 36.82 35.77 2ckj h ILE 266 CO -0.54 0.17 -0.09 -0.33 -0.69 0.00 0.00 178.15 176.67 2ckj h GLU 267 N -0.66 0.03 0.00 2.37 5.08 0.07 -1.34 114.58 120.13 2ckj h GLU 267 Ca -0.03 -0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.26 2ckj h GLU 267 Cb 0.47 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 2ckj h GLU 267 CO 0.04 0.02 -0.32 0.52 -1.00 0.00 0.00 179.01 178.27 2ckj h MET 268 N 0.03 0.00 0.00 2.33 2.86 -0.84 -2.84 114.93 116.47 2ckj h MET 268 Ca 0.24 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.71 2ckj h MET 268 Cb 0.37 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.00 2ckj h MET 268 CO -0.48 0.32 -1.29 -0.22 1.06 0.00 0.00 176.91 176.31 2ckj h LYS 269 N 0.00 0.00 0.00 1.72 3.64 -0.90 -3.39 116.57 117.64 2ckj h LYS 269 Ca -0.00 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 2ckj h LYS 269 Cb 0.77 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.59 2ckj h LYS 269 CO 0.04 0.38 -1.05 1.19 -2.27 0.00 0.00 179.45 177.74 2ckj n PHE 270 N -2.98 0.00 -2.40 1.91 3.01 -0.74 -4.71 117.46 111.55 2ckj n PHE 270 Ca -0.08 0.00 -0.37 0.00 1.01 0.00 0.00 57.45 58.01 2ckj n PHE 270 Cb 0.85 -0.03 0.02 0.00 -0.01 0.00 0.00 39.48 40.31 2ckj n PHE 270 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 2ckj n LYS 271 N -2.48 3.90 -0.07 -1.08 5.02 -1.07 -5.00 118.16 117.38 2ckj n LYS 271 Ca -0.01 -4.26 0.00 0.00 -2.02 0.00 0.00 58.31 52.02 2ckj n LYS 271 Cb 0.52 -2.34 0.00 0.00 -0.02 0.00 0.00 35.03 33.19 2ckj n LYS 271 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2ckj n ASN 272 N -0.32 -0.04 -4.90 4.39 3.02 -1.26 -4.90 115.26 111.25 2ckj n ASN 272 Ca 0.46 -0.05 -0.28 0.00 -0.03 0.00 0.00 54.58 54.69 2ckj n ASN 272 Cb 0.32 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.47 2ckj n ASN 272 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 2ckj s MET 273 N 0.17 3.61 -0.21 3.52 -1.94 -1.23 -5.05 119.30 118.16 2ckj s MET 273 Ca 0.00 0.13 -0.04 0.00 -1.71 0.00 0.00 55.69 54.07 2ckj s MET 273 Cb 0.00 -2.49 0.10 0.00 2.01 0.00 0.00 34.83 34.45 2ckj s MET 273 CO 0.00 -0.01 0.27 -1.17 -0.01 0.00 0.00 175.02 174.10 2ckj s LEU 274 N -4.19 -0.29 -0.24 -0.03 2.96 -1.26 -4.49 118.68 111.14 2ckj s LEU 274 Ca 0.46 -0.01 -0.10 0.00 -0.22 0.00 0.00 54.13 54.26 2ckj s LEU 274 Cb -0.10 0.64 -0.05 0.00 0.50 0.00 0.00 46.19 47.18 2ckj s LEU 274 CO 0.37 -0.31 0.15 -0.36 -1.32 0.00 0.00 176.35 174.87 2ckj s PHE 275 N 2.40 3.27 -0.46 5.38 0.40 -1.26 -4.99 117.98 122.72 2ckj s PHE 275 Ca 0.08 0.13 0.22 0.00 -0.60 0.00 0.00 56.93 56.76 2ckj s PHE 275 Cb -0.15 -2.27 -0.23 0.00 0.51 0.00 0.00 43.02 40.88 2ckj s PHE 275 CO -0.13 -0.01 0.73 -0.35 0.70 0.00 0.00 175.22 176.16 2ckj n PRO 276 N 4.42 0.38 -4.11 0.24 -0.05 -1.26 -4.74 135.00 129.87 2ckj n PRO 276 Ca -0.15 -0.09 -0.28 0.00 -0.05 0.00 0.00 63.50 62.93 2ckj n PRO 276 Cb 0.52 -1.53 -0.17 0.00 -0.05 0.00 0.00 33.50 32.27 2ckj n PRO 276 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 175.50 176.86 2ckj s MET 277 N -3.29 1.87 -0.02 0.54 1.75 -1.26 -1.28 119.30 117.61 2ckj s MET 277 Ca -0.01 -0.41 0.07 0.00 -1.25 0.00 0.00 55.69 54.10 2ckj s MET 277 Cb 0.15 -1.75 -0.02 0.00 2.84 0.00 0.00 34.83 36.04 2ckj s MET 277 CO 0.88 -0.19 -0.22 0.42 -0.65 0.00 0.00 175.02 175.25 2ckj s ILE 278 N 1.40 2.38 -0.03 10.11 1.01 0.79 -1.63 121.20 135.23 2ckj s ILE 278 Ca 0.01 -1.05 0.02 0.00 0.00 0.00 0.00 60.65 59.63 2ckj s ILE 278 Cb -0.13 -1.88 0.01 0.00 0.01 0.00 0.00 42.46 40.47 2ckj s ILE 278 CO -0.06 0.54 -0.07 0.54 0.00 0.00 0.00 174.94 175.89 2ckj s VAL 279 N -0.69 0.61 -0.20 2.92 0.11 0.01 -0.73 120.40 122.44 2ckj s VAL 279 Ca 0.11 -0.24 0.01 0.00 -2.93 0.00 0.00 61.98 58.93 2ckj s VAL 279 Cb -0.10 -0.57 0.04 0.00 -1.53 0.00 0.00 36.38 34.21 2ckj s VAL 279 CO 0.00 0.21 -0.13 0.00 -3.33 0.00 0.00 175.10 171.85 2ckj n PRO 281 N 4.65 0.00 0.00 0.00 -0.02 -1.26 -2.86 135.00 135.51 2ckj n PRO 281 Ca -0.16 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.32 2ckj n PRO 281 Cb 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.95 2ckj n PRO 281 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2ckj n ALA 282 N -3.00 0.00 0.49 3.55 0.00 -1.26 -4.36 120.51 115.92 2ckj n ALA 282 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 2ckj n ALA 282 Cb 0.00 0.00 0.17 0.00 0.00 0.00 0.00 19.45 19.62 2ckj n ALA 282 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.50 176.01 2ckj h TRP 283 N 0.00 0.00 -3.19 0.00 4.06 -1.85 -3.47 115.95 111.50 2ckj h TRP 283 Ca 0.00 0.00 -0.57 0.00 2.06 0.00 0.00 58.89 60.38 2ckj h TRP 283 Cb 0.00 0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 28.11 2ckj h TRP 283 CO 0.00 0.00 1.09 0.42 -3.56 0.00 0.00 178.44 176.39 2ckj s ILE 284 N -3.19 3.85 0.30 1.49 -1.09 -1.26 -4.87 121.20 116.42 2ckj s ILE 284 Ca 0.06 0.86 -0.03 0.00 -2.23 0.00 0.00 60.65 59.31 2ckj s ILE 284 Cb 0.12 -4.17 0.43 0.00 -1.58 0.00 0.00 42.46 37.27 2ckj s ILE 284 CO 0.71 -0.76 1.57 -0.65 -1.23 0.00 0.00 174.94 174.58 2ckj h PRO 285 N 10.97 0.00 -0.37 2.79 0.11 -1.90 0.25 132.00 143.86 2ckj h PRO 285 Ca -0.28 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.83 2ckj h PRO 285 Cb 1.11 -0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 2ckj h PRO 285 CO 1.09 0.00 0.21 0.93 -0.21 0.00 0.00 178.00 180.02 2ckj h GLU 286 N 0.00 0.50 -0.02 1.05 3.07 -1.99 0.31 114.58 117.49 2ckj h GLU 286 Ca 0.55 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 59.37 2ckj h GLU 286 Cb 1.01 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.82 2ckj h GLU 286 CO -0.97 0.36 0.00 1.28 -1.40 0.00 0.00 179.01 178.28 2ckj n LEU 287 N -4.45 0.05 0.00 1.33 4.77 0.89 -3.99 117.00 115.61 2ckj n LEU 287 Ca 0.02 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2ckj n LEU 287 Cb 0.09 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 2ckj n LEU 287 CO 0.36 0.01 0.03 0.59 -1.33 0.00 0.00 177.39 177.05 2ckj n ASN 288 N -0.47 0.11 -4.82 -1.43 3.02 0.08 -0.70 115.26 111.04 2ckj n ASN 288 Ca 0.00 -0.43 -0.33 0.00 -0.03 0.00 0.00 54.58 53.79 2ckj n ASN 288 Cb 0.01 0.53 -0.06 0.00 -0.61 0.00 0.00 39.78 39.65 2ckj n ASN 288 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2ckj s SER 289 N -0.53 6.86 -0.03 6.41 1.04 -1.11 -4.52 113.70 121.82 2ckj s SER 289 Ca 0.00 1.69 0.02 0.00 0.48 0.00 0.00 55.95 58.14 2ckj s SER 289 Cb 0.00 -2.54 -0.03 0.00 0.10 0.00 0.00 66.02 63.55 2ckj s SER 289 CO 0.00 -0.42 -0.06 0.68 0.98 0.00 0.00 173.24 174.42 2ckj s VAL 290 N -2.22 3.70 -0.13 5.02 -7.23 -1.26 0.30 120.40 118.58 2ckj s VAL 290 Ca 0.62 -0.61 -0.06 0.00 -1.81 0.00 0.00 61.98 60.11 2ckj s VAL 290 Cb -0.10 -2.56 0.06 0.00 0.56 0.00 0.00 36.38 34.34 2ckj s VAL 290 CO 0.16 0.50 0.31 -0.70 -0.31 0.00 0.00 175.10 175.05 2ckj s GLU 291 N -1.11 0.25 -0.96 4.82 2.12 -0.44 -5.01 118.70 118.38 2ckj s GLU 291 Ca 0.15 0.68 -0.17 0.00 0.36 0.00 0.00 54.97 55.99 2ckj s GLU 291 Cb -0.11 -0.04 0.15 0.00 0.26 0.00 0.00 34.13 34.39 2ckj s GLU 291 CO 0.04 -0.19 1.12 -1.01 -0.54 0.00 0.00 175.26 174.68 2ckj s HIS 292 N 1.63 3.30 0.53 5.30 3.76 -1.26 -0.94 115.29 127.60 2ckj s HIS 292 Ca -0.07 -1.62 -0.09 0.00 -0.15 0.00 0.00 55.06 53.13 2ckj s HIS 292 Cb -0.10 -4.21 0.13 0.00 1.11 0.00 0.00 32.58 29.51 2ckj s HIS 292 CO -0.10 -1.39 0.45 0.41 -0.85 0.00 0.00 174.74 173.26 2ckj n GLY 293 N 5.00 -2.72 0.21 -2.22 0.00 -0.92 -4.94 105.19 99.60 2ckj n GLY 293 Ca 0.24 -1.44 0.15 0.00 0.00 0.00 0.00 46.02 44.97 2ckj n GLY 293 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2ckj n PRO 294 N -2.99 1.30 0.00 1.61 -0.05 -1.26 -4.37 135.00 129.24 2ckj n PRO 294 Ca 0.06 -0.43 0.00 0.00 -0.05 0.00 0.00 63.50 63.08 2ckj n PRO 294 Cb 0.25 -1.48 0.00 0.00 -0.05 0.00 0.00 33.50 32.22 2ckj n PRO 294 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 175.50 175.20 2ckj n ASP 295 N -0.47 0.00 0.00 3.54 9.92 -1.26 -5.07 116.55 123.22 2ckj n ASP 295 Ca 0.21 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.47 2ckj n ASP 295 Cb 0.21 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.69 2ckj n ASP 295 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2ckj n GLY 296 N 0.00 -2.16 3.88 0.44 0.00 -1.26 -2.93 105.19 103.16 2ckj n GLY 296 Ca 0.00 -1.19 -0.37 0.00 0.00 0.00 0.00 46.02 44.46 2ckj n GLY 296 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ckj s ILE 297 N -2.01 5.48 -0.18 -0.61 1.01 -0.66 -2.17 121.20 122.07 2ckj s ILE 297 Ca 0.00 0.24 0.00 0.00 0.00 0.00 0.00 60.65 60.90 2ckj s ILE 297 Cb 0.00 -3.42 0.01 0.00 0.01 0.00 0.00 42.46 39.06 2ckj s ILE 297 CO 0.00 0.62 -0.17 -0.55 0.00 0.00 0.00 174.94 174.83 2ckj s SER 298 N -1.02 3.40 -0.11 3.58 0.15 -0.12 -1.09 113.70 118.49 2ckj s SER 298 Ca 0.15 -0.57 0.03 0.00 0.70 0.00 0.00 55.95 56.26 2ckj s SER 298 Cb -0.12 -1.53 -0.01 0.00 -1.71 0.00 0.00 66.02 62.65 2ckj s SER 298 CO 0.04 0.02 -0.20 -0.36 1.20 0.00 0.00 173.24 173.95 2ckj s PHE 299 N 1.16 2.64 0.30 3.44 0.40 -0.43 -1.32 117.98 124.16 2ckj s PHE 299 Ca 0.01 -0.87 -0.30 0.00 -0.60 0.00 0.00 56.93 55.18 2ckj s PHE 299 Cb -0.14 -1.74 -0.12 0.00 0.51 0.00 0.00 43.02 41.53 2ckj s PHE 299 CO -0.07 -0.32 1.59 0.41 0.70 0.00 0.00 175.22 177.52 2ckj n GLY 300 N 3.45 1.32 0.34 4.36 0.00 0.87 -2.78 105.19 112.75 2ckj n GLY 300 Ca -0.19 0.46 0.18 0.00 0.00 0.00 0.00 46.02 46.47 2ckj n GLY 300 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ckj h ALA 301 N 4.67 1.39 0.04 4.61 0.00 -1.13 -1.82 119.26 127.02 2ckj h ALA 301 Ca -0.47 -0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.22 2ckj h ALA 301 Cb 1.23 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 2ckj h ALA 301 CO 0.78 -0.28 -1.02 0.00 0.00 0.00 0.00 179.25 178.73 2ckj h ALA 302 N 1.55 0.35 -0.86 0.00 0.00 -1.20 0.16 119.26 119.26 2ckj h ALA 302 Ca 0.03 -0.83 -0.63 0.00 0.00 0.00 0.00 54.91 53.47 2ckj h ALA 302 Cb 0.53 -0.08 0.07 0.00 0.00 0.00 0.00 17.79 18.31 2ckj h ALA 302 CO -0.00 1.05 -0.18 0.00 0.00 0.00 0.00 179.25 180.12 2ckj s PRO 304 N -0.38 4.02 0.24 0.00 0.02 -1.25 -2.14 135.00 135.51 2ckj s PRO 304 Ca 0.68 1.16 -0.08 0.00 0.02 0.00 0.00 61.00 62.78 2ckj s PRO 304 Cb -0.96 -2.14 0.41 0.00 0.02 0.00 0.00 34.50 31.82 2ckj s PRO 304 CO 0.49 -0.22 1.63 -0.07 -0.33 0.00 0.00 177.00 178.50 2ckj h LEU 305 N 1.58 -0.40 -1.43 -5.54 3.38 -0.42 0.83 115.31 113.31 2ckj h LEU 305 Ca -0.49 0.20 0.15 0.00 0.09 0.00 0.00 57.88 57.83 2ckj h LEU 305 Cb 1.19 0.36 -0.06 0.00 0.09 0.00 0.00 40.66 42.24 2ckj h LEU 305 CO 0.60 -0.19 0.55 0.77 0.09 0.00 0.00 178.44 180.26 2ckj h SER 306 N 0.08 0.52 0.47 -0.43 4.64 -1.18 0.13 113.55 117.79 2ckj h SER 306 Ca 0.40 0.03 -0.04 0.00 -0.47 0.00 0.00 61.79 61.72 2ckj h SER 306 Cb 0.69 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.70 2ckj h SER 306 CO -0.67 0.26 -1.56 0.00 -0.87 0.00 0.00 176.83 173.99 2ckj n ILE 307 N -4.52 0.44 -0.16 0.95 3.06 0.21 -2.20 119.36 117.15 2ckj n ILE 307 Ca 0.16 -0.56 -0.02 0.00 -2.50 0.00 0.00 62.75 59.83 2ckj n ILE 307 Cb 0.52 -0.24 0.06 0.00 0.54 0.00 0.00 39.64 40.53 2ckj n ILE 307 CO 0.00 0.00 0.00 0.58 -2.50 0.00 0.00 176.55 174.63 2ckj h VAL 308 N 0.00 0.73 0.07 9.51 2.07 -0.23 -2.66 116.25 125.73 2ckj h VAL 308 Ca -0.05 -0.08 0.01 0.00 0.82 0.00 0.00 66.70 67.41 2ckj h VAL 308 Cb 1.12 0.47 -0.05 0.00 -1.52 0.00 0.00 31.29 31.32 2ckj h VAL 308 CO 0.01 0.04 -0.49 -0.08 0.02 0.00 0.00 177.57 177.07 2ckj h GLU 309 N 0.24 -0.64 -0.00 1.57 4.81 -0.78 -2.66 114.58 117.11 2ckj h GLU 309 Ca 0.25 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.52 2ckj h GLU 309 Cb 0.33 0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.85 2ckj h GLU 309 CO -0.32 -0.43 0.17 -0.22 -0.73 0.00 0.00 179.01 177.48 2ckj h LYS 310 N -0.67 0.00 0.00 1.92 3.64 -1.39 0.25 116.57 120.33 2ckj h LYS 310 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2ckj h LYS 310 Cb 0.69 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.51 2ckj h LYS 310 CO -0.29 0.00 -0.08 1.15 -2.27 0.00 0.00 179.45 177.95 2ckj h THR 311 N 0.00 0.00 -0.98 1.00 2.02 -1.12 -3.34 112.91 110.48 2ckj h THR 311 Ca 0.00 -0.62 0.10 0.00 0.77 0.00 0.00 66.41 66.67 2ckj h THR 311 Cb 0.34 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 66.62 2ckj h THR 311 CO -0.00 0.00 -0.55 -0.07 0.37 0.00 0.00 175.52 175.27 2ckj h LEU 312 N -0.62 -2.00 -0.98 2.58 4.07 -1.43 0.21 115.31 117.15 2ckj h LEU 312 Ca 0.00 0.32 0.25 0.00 0.08 0.00 0.00 57.88 58.53 2ckj h LEU 312 Cb 0.08 0.91 -0.18 0.00 1.08 0.00 0.00 40.66 42.55 2ckj h LEU 312 CO 0.00 -0.25 -0.05 0.52 -1.08 0.00 0.00 178.44 177.58 2ckj n VAL 313 N -5.30 -0.41 -0.05 1.22 0.31 0.87 0.64 118.33 115.61 2ckj n VAL 313 Ca 0.04 2.17 -0.17 0.00 -0.01 0.00 0.00 64.34 66.36 2ckj n VAL 313 Cb 0.29 -3.12 -0.14 0.00 -0.91 0.00 0.00 33.84 29.96 2ckj n VAL 313 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 2ckj n ASP 314 N -5.50 1.68 0.26 4.52 3.85 -0.94 -3.57 116.55 116.85 2ckj n ASP 314 Ca 0.21 0.10 0.18 0.00 -0.71 0.00 0.00 54.79 54.57 2ckj n ASP 314 Cb 0.68 -0.41 0.90 0.00 -1.35 0.00 0.00 41.12 40.94 2ckj n ASP 314 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2ckj h ALA 315 N 0.27 1.00 -0.63 2.12 0.00 -0.21 0.25 119.26 122.06 2ckj h ALA 315 Ca -0.47 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.37 2ckj h ALA 315 Cb 2.01 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.78 2ckj h ALA 315 CO 0.02 0.00 0.11 -0.24 0.00 0.00 0.00 179.25 179.15 2ckj h VAL 316 N 0.00 1.25 0.00 0.00 3.04 0.12 -3.35 116.25 117.31 2ckj h VAL 316 Ca 0.00 -0.98 0.00 0.00 -1.01 0.00 0.00 66.70 64.71 2ckj h VAL 316 Cb 0.10 0.65 0.00 0.00 -2.01 0.00 0.00 31.29 30.03 2ckj h VAL 316 CO 0.00 0.37 -0.17 0.00 -1.01 0.00 0.00 177.57 176.76 2ckj h ALA 317 N 1.15 0.90 -0.94 3.17 0.00 -0.58 -3.32 119.26 119.65 2ckj h ALA 317 Ca 0.20 0.00 -0.64 0.00 0.00 0.00 0.00 54.91 54.47 2ckj h ALA 317 Cb 0.40 0.00 -0.34 0.00 0.00 0.00 0.00 17.79 17.85 2ckj h ALA 317 CO 0.01 0.00 0.26 1.63 0.00 0.00 0.00 179.25 181.15 2ckj n LYS 318 N -2.60 3.04 -3.61 0.00 4.76 -0.78 -4.98 118.16 113.99 2ckj n LYS 318 Ca 0.04 -3.66 -0.03 0.00 -2.87 0.00 0.00 58.31 51.80 2ckj n LYS 318 Cb 0.48 -2.28 -0.05 0.00 -1.84 0.00 0.00 35.03 31.33 2ckj n LYS 318 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2ckj s LEU 319 N -3.76 -0.90 -0.52 -0.35 1.43 -1.25 -5.01 118.68 108.33 2ckj s LEU 319 Ca 0.59 1.32 -0.29 0.00 -1.03 0.00 0.00 54.13 54.72 2ckj s LEU 319 Cb 0.47 2.15 -0.15 0.00 0.03 0.00 0.00 46.19 48.68 2ckj s LEU 319 CO -0.03 -0.20 1.75 -2.65 0.23 0.00 0.00 176.35 175.45 2ckj n PRO 320 N 4.73 0.00 0.00 1.29 -0.01 -1.26 -4.70 135.00 135.05 2ckj n PRO 320 Ca -0.15 0.00 0.00 0.00 -0.01 0.00 0.00 63.50 63.34 2ckj n PRO 320 Cb 0.54 -1.11 0.00 0.00 -0.01 0.00 0.00 33.50 32.92 2ckj n PRO 320 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 2ckj n ALA 321 N 6.44 0.84 0.00 3.55 0.00 -1.26 -2.58 120.51 127.51 2ckj n ALA 321 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.88 2ckj n ALA 321 Cb -0.01 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 18.49 2ckj n ALA 321 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2ckj n GLN 322 N 1.32 4.39 0.16 0.00 -0.06 -1.26 -4.60 117.38 117.34 2ckj n GLN 322 Ca 0.00 0.00 0.04 0.00 -2.00 0.00 0.00 57.00 55.04 2ckj n GLN 322 Cb 0.00 -0.44 0.18 0.00 -4.06 0.00 0.00 30.24 25.92 2ckj n GLN 322 CO 0.00 0.00 0.00 0.87 -0.20 0.00 0.00 177.06 177.73 2ckj h LYS 323 N 0.00 0.00 -1.51 3.69 1.57 -1.48 -3.35 116.57 115.48 2ckj h LYS 323 Ca 0.00 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.62 2ckj h LYS 323 Cb 0.00 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.24 2ckj h LYS 323 CO 0.00 0.47 0.20 0.25 -0.57 0.00 0.00 179.45 179.80 2ckj n THR 324 N -3.39 2.13 -0.02 -0.16 -2.24 -1.26 -0.18 114.28 109.16 2ckj n THR 324 Ca 0.01 -0.90 -0.09 0.00 -2.27 0.00 0.00 64.05 60.79 2ckj n THR 324 Cb 0.63 -1.24 -0.14 0.00 -2.10 0.00 0.00 70.33 67.48 2ckj n THR 324 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2ckj n GLU 325 N 0.64 0.64 -0.04 -0.78 -0.58 -1.26 -3.27 120.64 115.99 2ckj n GLU 325 Ca 0.15 0.29 -0.12 0.00 -0.42 0.00 0.00 57.16 57.06 2ckj n GLU 325 Cb 0.62 -1.78 -0.11 0.00 -0.57 0.00 0.00 31.44 29.60 2ckj n GLU 325 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2ckj h VAL 326 N 0.00 1.43 -0.52 2.62 2.07 -1.82 -3.31 116.25 116.74 2ckj h VAL 326 Ca -0.30 -1.86 0.09 0.00 0.82 0.00 0.00 66.70 65.45 2ckj h VAL 326 Cb 2.02 2.61 -0.10 0.00 -1.52 0.00 0.00 31.29 34.30 2ckj h VAL 326 CO 0.08 0.45 -0.40 -0.26 0.02 0.00 0.00 177.57 177.45 2ckj h PHE 327 N -0.89 -1.17 -0.69 1.57 -1.00 -1.82 0.87 116.94 113.80 2ckj h PHE 327 Ca -0.00 0.07 0.20 0.00 2.81 0.00 0.00 57.97 61.05 2ckj h PHE 327 Cb 0.76 0.58 -0.03 0.00 3.61 0.00 0.00 35.95 40.87 2ckj h PHE 327 CO 0.20 -0.42 0.75 0.00 -1.61 0.00 0.00 178.31 177.23 2ckj h ARG 328 N -0.25 0.00 0.09 1.51 -0.00 -1.66 -0.34 114.38 113.74 2ckj h ARG 328 Ca 0.18 0.00 -0.00 0.00 -0.50 0.00 0.00 59.98 59.65 2ckj h ARG 328 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.54 2ckj h ARG 328 CO -0.64 0.00 -0.04 0.78 0.00 0.00 0.00 179.97 180.07 2ckj h GLY 329 N 0.00 -0.13 -0.57 0.04 0.00 -0.91 -2.91 103.07 98.59 2ckj h GLY 329 Ca 0.33 0.05 0.09 0.00 0.00 0.00 0.00 47.33 47.79 2ckj h GLY 329 CO -0.00 -0.05 -0.47 -2.08 0.00 0.00 0.00 176.54 173.94 2ckj h VAL 330 N -0.97 0.05 -0.03 4.60 2.07 -0.89 0.55 116.25 121.64 2ckj h VAL 330 Ca -0.01 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.52 2ckj h VAL 330 Cb 0.45 0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.28 2ckj h VAL 330 CO 0.02 0.00 0.24 -0.07 0.02 0.00 0.00 177.57 177.78 2ckj h LEU 331 N -0.22 0.00 0.00 2.57 4.07 -1.58 0.83 115.31 120.98 2ckj h LEU 331 Ca 0.17 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.13 2ckj h LEU 331 Cb 0.55 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.29 2ckj h LEU 331 CO -0.72 0.00 -0.34 -0.33 -1.08 0.00 0.00 178.44 175.96 2ckj h GLU 332 N 0.00 0.00 0.03 1.13 4.39 -0.69 -3.07 114.58 116.37 2ckj h GLU 332 Ca 0.01 0.00 -0.38 0.00 0.34 0.00 0.00 59.36 59.33 2ckj h GLU 332 Cb 0.48 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.08 2ckj h GLU 332 CO -0.00 0.00 -2.19 1.04 -1.16 0.00 0.00 179.01 176.70 2ckj n GLN 333 N -2.49 0.64 0.20 2.33 1.13 0.09 -4.21 117.38 115.06 2ckj n GLN 333 Ca 0.04 0.28 0.10 0.00 -1.94 0.00 0.00 57.00 55.48 2ckj n GLN 333 Cb 0.48 -1.59 0.53 0.00 0.11 0.00 0.00 30.24 29.77 2ckj n GLN 333 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 2ckj h LEU 334 N -0.47 0.00 -0.19 1.08 3.38 -1.08 -1.07 115.31 116.97 2ckj h LEU 334 Ca -0.55 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.22 2ckj h LEU 334 Cb 1.74 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.47 2ckj h LEU 334 CO -0.18 0.00 -0.93 0.08 0.09 0.00 0.00 178.44 177.50 2ckj h ARG 335 N 0.00 0.08 -0.02 1.13 0.11 -1.70 -3.31 114.38 110.66 2ckj h ARG 335 Ca 0.00 -0.11 0.00 0.00 0.10 0.00 0.00 59.98 59.97 2ckj h ARG 335 Cb 0.40 0.04 0.00 0.00 1.11 0.00 0.00 29.97 31.51 2ckj h ARG 335 CO 0.00 0.95 -0.22 0.91 0.10 0.00 0.00 179.97 181.71 2ckj n TRP 336 N -3.53 0.00 -2.22 4.08 7.02 -0.44 -4.46 117.44 117.89 2ckj n TRP 336 Ca -0.02 0.00 -0.32 0.00 -1.02 0.00 0.00 57.50 56.14 2ckj n TRP 336 Cb 0.86 -0.01 -0.04 0.00 -2.42 0.00 0.00 31.31 29.70 2ckj n TRP 336 CO 0.00 0.00 0.00 0.12 -2.02 0.00 0.00 177.69 175.79 2ckj s PHE 337 N -2.24 2.08 0.00 -5.99 2.19 -0.97 -3.67 117.98 109.38 2ckj s PHE 337 Ca 0.25 0.08 0.00 0.00 0.33 0.00 0.00 56.93 57.58 2ckj s PHE 337 Cb 0.19 -4.25 0.00 0.00 -1.31 0.00 0.00 43.02 37.65 2ckj s PHE 337 CO 0.43 -1.71 0.00 0.00 1.83 0.00 0.00 175.22 175.77 2ckj n ALA 338 N 12.39 0.00 0.00 11.12 0.00 -1.26 -4.92 120.51 137.83 2ckj n ALA 338 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.84 2ckj n ALA 338 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 2ckj n ALA 338 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ckj n GLY 339 N -0.96 -2.78 0.27 0.00 0.00 -1.26 -4.52 105.19 95.94 2ckj n GLY 339 Ca 0.00 -1.29 0.15 0.00 0.00 0.00 0.00 46.02 44.88 2ckj n GLY 339 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ckj h LYS 340 N 0.00 0.00 0.00 1.61 1.57 -1.86 -2.48 116.57 115.41 2ckj h LYS 340 Ca 0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 2ckj h LYS 340 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 2ckj h LYS 340 CO 0.00 0.09 -0.12 1.96 -0.57 0.00 0.00 179.45 180.81 2ckj h GLN 341 N 0.00 0.00 0.00 3.15 7.50 -1.90 -2.88 115.11 120.99 2ckj h GLN 341 Ca -0.00 0.00 -0.09 0.00 0.50 0.00 0.00 58.65 59.06 2ckj h GLN 341 Cb 0.44 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 27.95 2ckj h GLN 341 CO 0.01 0.12 -1.54 0.28 -1.50 0.00 0.00 178.83 176.20 2ckj n VAL 342 N -3.54 0.34 0.11 -0.54 0.31 -0.94 -3.80 118.33 110.26 2ckj n VAL 342 Ca -0.01 -0.31 -0.02 0.00 -0.01 0.00 0.00 64.34 63.99 2ckj n VAL 342 Cb 0.25 -0.28 0.00 0.00 -0.91 0.00 0.00 33.84 32.90 2ckj n VAL 342 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 2ckj h LYS 343 N 0.00 0.00 0.00 5.55 1.57 -1.61 -0.76 116.57 121.32 2ckj h LYS 343 Ca -0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 2ckj h LYS 343 Cb 1.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.36 2ckj h LYS 343 CO 0.01 0.73 0.00 0.77 -0.57 0.00 0.00 179.45 180.39 2ckj h SER 344 N 0.00 0.00 0.00 0.86 0.02 -1.65 0.29 113.55 113.07 2ckj h SER 344 Ca -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2ckj h SER 344 Cb 1.49 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.03 2ckj h SER 344 CO 0.09 0.00 -0.74 1.33 -1.14 0.00 0.00 176.83 176.38 2ckj n VAL 345 N -2.65 0.00 -3.05 2.27 0.24 -1.20 -4.86 118.33 109.09 2ckj n VAL 345 Ca 0.04 -0.26 -0.36 0.00 -2.04 0.00 0.00 64.34 61.71 2ckj n VAL 345 Cb 0.40 0.80 -0.06 0.00 -1.47 0.00 0.00 33.84 33.51 2ckj n VAL 345 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2ckj s ALA 346 N -2.14 3.39 0.18 2.33 0.00 -0.30 -4.06 121.76 121.16 2ckj s ALA 346 Ca 0.02 0.22 -0.05 0.00 0.00 0.00 0.00 51.96 52.15 2ckj s ALA 346 Cb 0.07 -2.88 -0.06 0.00 0.00 0.00 0.00 23.12 20.26 2ckj s ALA 346 CO 0.41 0.30 0.42 -1.54 0.00 0.00 0.00 175.76 175.35 2ckj s SER 347 N -1.62 6.49 0.10 0.00 1.04 -1.26 -0.11 113.70 118.34 2ckj s SER 347 Ca 0.44 0.62 -0.31 0.00 0.48 0.00 0.00 55.95 57.18 2ckj s SER 347 Cb -0.17 -2.10 -0.12 0.00 0.10 0.00 0.00 66.02 63.72 2ckj s SER 347 CO 0.22 -0.00 1.61 -0.37 0.98 0.00 0.00 173.24 175.67 2ckj h VAL 348 N 1.91 0.25 -0.50 5.02 -1.51 -1.54 -2.07 116.25 117.82 2ckj h VAL 348 Ca -0.46 0.00 0.07 0.00 -1.23 0.00 0.00 66.70 65.07 2ckj h VAL 348 Cb 1.17 0.25 -0.07 0.00 -2.13 0.00 0.00 31.29 30.51 2ckj h VAL 348 CO 0.71 0.00 -0.23 0.61 -1.23 0.00 0.00 177.57 177.43 2ckj n GLY 349 N -1.46 -1.12 0.36 5.19 0.00 0.57 0.33 105.19 109.06 2ckj n GLY 349 Ca -0.09 0.57 0.01 0.00 0.00 0.00 0.00 46.02 46.51 2ckj n GLY 349 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2ckj h GLY 350 N 0.00 1.20 0.88 -0.02 0.00 -1.57 -2.90 103.07 100.66 2ckj h GLY 350 Ca 0.14 -0.43 -0.15 0.00 0.00 0.00 0.00 47.33 46.90 2ckj h GLY 350 CO -0.48 0.40 -0.50 -0.57 0.00 0.00 0.00 176.54 175.38 2ckj h ASN 351 N 1.10 0.63 0.36 0.19 -1.24 0.21 0.23 115.58 117.05 2ckj h ASN 351 Ca 0.32 -0.64 -0.02 0.00 0.71 0.00 0.00 56.30 56.68 2ckj h ASN 351 Cb -0.06 -0.19 0.00 0.00 0.73 0.00 0.00 38.32 38.81 2ckj h ASN 351 CO -0.08 1.16 -0.17 0.40 -1.29 0.00 0.00 177.43 177.45 2ckj h ILE 352 N 0.13 0.66 0.00 2.57 2.04 -1.43 -3.04 117.51 118.44 2ckj h ILE 352 Ca -0.03 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.65 2ckj h ILE 352 Cb 1.14 0.75 0.00 0.00 -0.74 0.00 0.00 36.82 37.98 2ckj h ILE 352 CO 0.10 0.04 0.00 0.40 0.00 0.00 0.00 178.15 178.69 2ckj h ILE 353 N -0.58 0.00 0.00 -0.67 2.04 -1.54 -3.35 117.51 113.41 2ckj h ILE 353 Ca -0.05 -0.75 0.00 0.00 1.00 0.00 0.00 64.86 65.06 2ckj h ILE 353 Cb 0.43 1.74 0.00 0.00 -0.74 0.00 0.00 36.82 38.25 2ckj h ILE 353 CO 0.08 0.00 0.00 0.41 0.00 0.00 0.00 178.15 178.64 2ckj n THR 354 N -3.04 0.00 -1.56 -0.27 -1.04 0.07 -4.86 114.28 103.58 2ckj n THR 354 Ca 0.03 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.90 2ckj n THR 354 Cb 0.42 -0.85 -0.08 0.00 -1.82 0.00 0.00 70.33 67.99 2ckj n THR 354 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2ckj n ALA 355 N -0.89 0.34 -1.69 2.41 0.00 -1.26 -4.97 120.51 114.45 2ckj n ALA 355 Ca 0.01 -1.48 -0.35 0.00 0.00 0.00 0.00 53.44 51.62 2ckj n ALA 355 Cb 0.01 -3.25 0.03 0.00 0.00 0.00 0.00 19.45 16.24 2ckj n ALA 355 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2ckj s SER 356 N 10.15 5.23 0.34 0.00 0.15 -1.26 -4.22 113.70 124.09 2ckj s SER 356 Ca 0.92 2.28 0.14 0.00 0.70 0.00 0.00 55.95 59.99 2ckj s SER 356 Cb -0.15 -2.59 1.04 0.00 -1.71 0.00 0.00 66.02 62.62 2ckj s SER 356 CO 0.11 -1.56 1.68 -0.65 1.20 0.00 0.00 173.24 174.03 2ckj h PRO 357 N 0.76 0.38 -0.59 5.44 0.11 -1.92 -3.20 132.00 132.98 2ckj h PRO 357 Ca -0.50 -0.02 -0.23 0.00 0.11 0.00 0.00 66.00 65.36 2ckj h PRO 357 Cb 1.28 -0.08 -0.14 0.00 0.11 0.00 0.00 31.00 32.17 2ckj h PRO 357 CO 0.55 0.25 0.19 0.44 -0.21 0.00 0.00 178.00 179.22 2ckj n ILE 358 N -5.00 2.76 -2.26 4.15 -6.64 -1.26 -3.51 119.36 107.61 2ckj n ILE 358 Ca 0.31 -2.10 -0.40 0.00 -1.77 0.00 0.00 62.75 58.79 2ckj n ILE 358 Cb 0.93 -0.35 -0.02 0.00 -1.44 0.00 0.00 39.64 38.75 2ckj n ILE 358 CO 0.00 0.00 0.00 -0.55 -1.77 0.00 0.00 176.55 174.23 2ckj s SER 359 N -1.73 6.75 0.00 7.28 0.15 -1.21 -4.85 113.70 120.08 2ckj s SER 359 Ca 0.50 2.47 0.23 0.00 0.70 0.00 0.00 55.95 59.85 2ckj s SER 359 Cb 0.42 -2.63 0.14 0.00 -1.71 0.00 0.00 66.02 62.24 2ckj s SER 359 CO 0.08 -0.53 1.19 0.47 1.20 0.00 0.00 173.24 175.65 2ckj n ASP 360 N 0.56 2.16 0.02 5.45 8.00 -1.26 -3.97 116.55 127.50 2ckj n ASP 360 Ca 0.02 -1.58 -0.16 0.00 0.71 0.00 0.00 54.79 53.78 2ckj n ASP 360 Cb 0.44 0.32 -0.14 0.00 -0.02 0.00 0.00 41.12 41.73 2ckj n ASP 360 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2ckj h LEU 361 N 2.86 0.30 0.38 0.64 3.38 -1.96 -3.41 115.31 117.50 2ckj h LEU 361 Ca 0.00 -0.53 -0.02 0.00 0.09 0.00 0.00 57.88 57.42 2ckj h LEU 361 Cb 0.78 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.44 2ckj h LEU 361 CO 0.00 1.46 -0.18 0.78 0.09 0.00 0.00 178.44 180.59 2ckj h ASN 362 N 0.05 -0.43 -0.98 -0.43 2.35 -1.93 0.28 115.58 114.50 2ckj h ASN 362 Ca -0.31 -0.01 0.30 0.00 -0.55 0.00 0.00 56.30 55.73 2ckj h ASN 362 Cb 2.02 0.11 -0.18 0.00 0.05 0.00 0.00 38.32 40.32 2ckj h ASN 362 CO 0.12 -0.27 0.16 -0.65 -1.65 0.00 0.00 177.43 175.13 2ckj h PRO 363 N -0.55 0.03 -0.01 0.81 0.11 -1.82 0.78 132.00 131.35 2ckj h PRO 363 Ca -0.05 -0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.86 2ckj h PRO 363 Cb 0.42 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.51 2ckj h PRO 363 CO 0.09 0.02 -0.85 0.28 -0.21 0.00 0.00 178.00 177.32 2ckj h VAL 364 N 0.03 1.45 0.41 3.15 2.07 -1.33 0.87 116.25 122.90 2ckj h VAL 364 Ca 0.64 -2.46 -0.02 0.00 0.82 0.00 0.00 66.70 65.68 2ckj h VAL 364 Cb 1.42 2.37 0.00 0.00 -1.52 0.00 0.00 31.29 33.56 2ckj h VAL 364 CO -0.86 0.73 -0.20 -0.26 0.02 0.00 0.00 177.57 177.00 2ckj h PHE 365 N 0.17 -0.51 -0.87 1.57 0.05 -0.05 -1.52 116.94 115.77 2ckj h PHE 365 Ca -0.05 -0.01 -0.02 0.00 3.82 0.00 0.00 57.97 61.71 2ckj h PHE 365 Cb 1.47 0.17 -0.04 0.00 2.00 0.00 0.00 35.95 39.55 2ckj h PHE 365 CO 0.04 -0.26 0.47 1.98 -0.18 0.00 0.00 178.31 180.36 2ckj h MET 366 N -0.66 1.22 0.00 1.51 4.05 -0.74 -1.08 114.93 119.23 2ckj h MET 366 Ca -0.06 -0.15 -0.08 0.00 -0.28 0.00 0.00 59.70 59.13 2ckj h MET 366 Cb 0.48 -0.24 -0.01 0.00 -0.80 0.00 0.00 31.60 31.04 2ckj h MET 366 CO 0.09 0.90 -0.39 0.00 0.23 0.00 0.00 176.91 177.75 2ckj h ALA 367 N 1.25 1.09 0.00 0.39 0.00 0.72 -2.74 119.26 119.97 2ckj h ALA 367 Ca 0.31 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 2ckj h ALA 367 Cb 0.05 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 2ckj h ALA 367 CO -0.05 0.48 -0.10 1.03 0.00 0.00 0.00 179.25 180.62 2ckj h SER 368 N 0.00 0.00 -5.59 0.00 0.87 -0.24 -3.43 113.55 105.16 2ckj h SER 368 Ca -0.00 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.49 2ckj h SER 368 Cb 0.83 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.80 2ckj h SER 368 CO 0.05 0.10 -0.82 0.61 -0.53 0.00 0.00 176.83 176.24 2ckj n GLY 369 N 0.16 -1.72 4.00 5.77 0.00 -0.51 -4.93 105.19 107.95 2ckj n GLY 369 Ca 0.01 0.90 -0.22 0.00 0.00 0.00 0.00 46.02 46.71 2ckj n GLY 369 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ckj s ALA 370 N -1.97 4.04 -0.30 4.61 0.00 -0.60 -4.69 121.76 122.84 2ckj s ALA 370 Ca 0.18 -1.80 0.02 0.00 0.00 0.00 0.00 51.96 50.37 2ckj s ALA 370 Cb -0.04 -1.85 0.09 0.00 0.00 0.00 0.00 23.12 21.32 2ckj s ALA 370 CO 0.71 -1.16 0.02 0.21 0.00 0.00 0.00 175.76 175.54 2ckj s LYS 371 N -4.93 1.47 0.17 0.00 2.20 -0.86 -1.52 119.74 116.25 2ckj s LYS 371 Ca 0.64 -1.49 -0.17 0.00 -0.36 0.00 0.00 55.97 54.59 2ckj s LYS 371 Cb -0.06 -2.82 -0.07 0.00 -1.51 0.00 0.00 37.83 33.36 2ckj s LYS 371 CO 0.42 -0.83 0.62 -0.51 -0.36 0.00 0.00 175.35 174.69 2ckj s LEU 372 N 1.15 4.36 -0.38 5.43 2.01 0.18 -1.90 118.68 129.53 2ckj s LEU 372 Ca 0.05 1.24 0.02 0.00 0.01 0.00 0.00 54.13 55.45 2ckj s LEU 372 Cb -0.19 -3.37 0.11 0.00 0.01 0.00 0.00 46.19 42.76 2ckj s LEU 372 CO -0.10 0.09 0.14 -0.89 1.01 0.00 0.00 176.35 176.59 2ckj s THR 373 N -1.46 1.80 -0.15 5.49 2.01 -0.92 -2.71 115.64 119.70 2ckj s THR 373 Ca 0.39 -2.31 -0.08 0.00 0.31 0.00 0.00 61.69 60.00 2ckj s THR 373 Cb -0.16 -2.31 -0.04 0.00 0.01 0.00 0.00 72.50 70.00 2ckj s THR 373 CO 0.20 -0.71 0.11 -0.76 -0.69 0.00 0.00 174.62 172.77 2ckj s LEU 374 N 0.77 4.18 0.15 4.42 1.02 -1.23 -2.14 118.68 125.84 2ckj s LEU 374 Ca 0.13 0.31 0.06 0.00 0.02 0.00 0.00 54.13 54.65 2ckj s LEU 374 Cb -0.21 -2.04 -0.04 0.00 0.02 0.00 0.00 46.19 43.92 2ckj s LEU 374 CO -0.09 0.30 -0.12 0.68 0.02 0.00 0.00 176.35 177.13 2ckj s VAL 375 N -0.39 1.32 0.32 -1.59 -7.23 -0.49 -2.84 120.40 109.50 2ckj s VAL 375 Ca 0.11 -1.96 -0.10 0.00 -1.81 0.00 0.00 61.98 58.22 2ckj s VAL 375 Cb -0.12 -1.76 0.02 0.00 0.56 0.00 0.00 36.38 35.08 2ckj s VAL 375 CO 0.01 -0.60 0.57 -0.55 -0.31 0.00 0.00 175.10 174.23 2ckj s SER 376 N -2.92 0.30 -0.30 4.85 0.15 -1.23 -0.28 113.70 114.27 2ckj s SER 376 Ca 0.15 -1.17 -0.24 0.00 0.70 0.00 0.00 55.95 55.39 2ckj s SER 376 Cb -0.01 0.69 0.00 0.00 -1.71 0.00 0.00 66.02 65.00 2ckj s SER 376 CO 0.03 -1.36 0.81 0.00 1.20 0.00 0.00 173.24 173.92 2ckj s ARG 377 N -3.21 4.00 -0.85 5.44 1.70 -1.26 -2.18 118.95 122.59 2ckj s ARG 377 Ca 0.23 0.67 -0.02 0.00 -0.47 0.00 0.00 55.73 56.14 2ckj s ARG 377 Cb -0.02 -3.72 -0.03 0.00 -0.57 0.00 0.00 34.95 30.62 2ckj s ARG 377 CO 0.14 -0.67 0.72 0.41 -1.08 0.00 0.00 175.30 174.82 2ckj n GLY 378 N 4.11 -0.42 3.64 3.88 0.00 -1.26 -5.09 105.19 110.05 2ckj n GLY 378 Ca 0.05 0.18 -0.10 0.00 0.00 0.00 0.00 46.02 46.15 2ckj n GLY 378 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ckj s THR 379 N -3.28 0.00 -0.26 2.61 2.01 -0.93 -5.08 115.64 110.71 2ckj s THR 379 Ca 0.18 0.00 0.22 0.00 0.31 0.00 0.00 61.69 62.40 2ckj s THR 379 Cb -0.02 -1.00 0.50 0.00 0.01 0.00 0.00 72.50 71.99 2ckj s THR 379 CO 0.55 0.00 1.11 -1.14 -0.69 0.00 0.00 174.62 174.45 2ckj n ARG 380 N 3.65 1.82 -0.84 4.92 3.00 -1.26 -3.54 116.66 124.41 2ckj n ARG 380 Ca -0.18 -3.54 -0.30 0.00 -0.00 0.00 0.00 57.85 53.84 2ckj n ARG 380 Cb 0.57 -1.64 0.03 0.00 0.00 0.00 0.00 32.46 31.43 2ckj n ARG 380 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2ckj n ARG 381 N -0.58 0.00 -3.27 -0.14 5.12 -1.13 -4.81 116.66 111.84 2ckj n ARG 381 Ca 0.09 0.00 -0.21 0.00 -1.93 0.00 0.00 57.85 55.81 2ckj n ARG 381 Cb 0.81 -0.82 -0.08 0.00 -1.16 0.00 0.00 32.46 31.21 2ckj n ARG 381 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 2ckj s THR 382 N -1.65 -0.08 0.02 0.55 2.01 -1.26 -3.51 115.64 111.72 2ckj s THR 382 Ca 0.34 -1.89 -0.20 0.00 0.31 0.00 0.00 61.69 60.25 2ckj s THR 382 Cb -0.17 -0.88 -0.06 0.00 0.01 0.00 0.00 72.50 71.41 2ckj s THR 382 CO 0.67 -0.84 0.58 0.54 -0.69 0.00 0.00 174.62 174.88 2ckj s VAL 383 N 0.60 4.86 0.17 3.82 0.11 -1.10 -4.93 120.40 123.93 2ckj s VAL 383 Ca 0.28 1.22 -0.30 0.00 -2.93 0.00 0.00 61.98 60.25 2ckj s VAL 383 Cb -0.04 -3.92 -0.07 0.00 -1.53 0.00 0.00 36.38 30.83 2ckj s VAL 383 CO -0.11 0.46 1.04 -1.58 -3.33 0.00 0.00 175.10 171.58 2ckj s GLN 384 N -0.47 4.65 0.15 1.54 0.74 -1.26 -0.64 119.66 124.37 2ckj s GLN 384 Ca 0.30 1.62 -0.30 0.00 0.05 0.00 0.00 55.36 57.03 2ckj s GLN 384 Cb -0.19 -3.30 -0.07 0.00 1.10 0.00 0.00 33.01 30.55 2ckj s GLN 384 CO 0.18 0.17 0.94 1.41 -0.55 0.00 0.00 175.29 177.44 2ckj s MET 385 N -0.38 4.74 0.12 1.67 -2.45 -0.58 -4.93 119.30 117.48 2ckj s MET 385 Ca 0.48 1.44 -0.25 0.00 -1.25 0.00 0.00 55.69 56.11 2ckj s MET 385 Cb -0.27 -3.34 0.07 0.00 1.25 0.00 0.00 34.83 32.53 2ckj s MET 385 CO 0.33 0.32 0.85 0.16 1.05 0.00 0.00 175.02 177.73 2ckj s ASP 386 N -0.40 -0.31 0.28 1.11 -4.77 -1.26 -4.31 116.67 107.01 2ckj s ASP 386 Ca 0.45 -0.24 0.00 0.00 -3.30 0.00 0.00 52.55 49.45 2ckj s ASP 386 Cb -0.24 0.51 0.00 0.00 -1.09 0.00 0.00 42.92 42.10 2ckj s ASP 386 CO 0.30 -0.89 0.49 0.00 0.70 0.00 0.00 175.17 175.78 2ckj n HIS 387 N -0.38 0.00 0.07 2.11 1.44 -1.26 -1.41 115.22 115.79 2ckj n HIS 387 Ca -0.08 0.00 -0.03 0.00 -2.01 0.00 0.00 57.72 55.60 2ckj n HIS 387 Cb 0.61 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.66 2ckj n HIS 387 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2ckj h THR 388 N 0.00 1.10 -0.39 0.61 1.03 -1.95 -3.36 112.91 109.95 2ckj h THR 388 Ca 0.00 -2.67 -0.01 0.00 -0.01 0.00 0.00 66.41 63.72 2ckj h THR 388 Cb 0.99 2.51 -0.02 0.00 -1.07 0.00 0.00 68.15 70.55 2ckj h THR 388 CO 0.00 0.63 0.21 0.15 -0.01 0.00 0.00 175.52 176.49 2ckj h PHE 389 N 0.00 0.55 -3.38 0.00 3.57 -1.61 -3.36 116.94 112.70 2ckj h PHE 389 Ca -0.07 -0.02 -0.72 0.00 3.53 0.00 0.00 57.97 60.69 2ckj h PHE 389 Cb 1.64 -0.17 -0.31 0.00 2.79 0.00 0.00 35.95 39.90 2ckj h PHE 389 CO 0.00 0.43 -0.39 -0.06 -2.23 0.00 0.00 178.31 176.07 2ckj s PHE 390 N -5.81 3.47 0.03 0.41 0.40 -1.26 -3.04 117.98 112.18 2ckj s PHE 390 Ca -0.13 -2.07 -0.24 0.00 -0.60 0.00 0.00 56.93 53.90 2ckj s PHE 390 Cb 0.10 -3.44 -0.16 0.00 0.51 0.00 0.00 43.02 40.03 2ckj s PHE 390 CO 0.74 -0.97 1.48 -1.00 0.70 0.00 0.00 175.22 176.16 2ckj h PRO 391 N 8.19 0.07 0.00 0.24 0.13 -1.72 -3.46 132.00 135.46 2ckj h PRO 391 Ca -0.16 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.95 2ckj h PRO 391 Cb 1.05 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.18 2ckj h PRO 391 CO 0.81 0.34 0.00 0.41 -0.23 0.00 0.00 178.00 179.33 2ckj n GLY 392 N -0.33 3.32 3.63 1.56 0.00 -1.26 -5.05 105.19 107.06 2ckj n GLY 392 Ca -0.07 -1.32 -0.43 0.00 0.00 0.00 0.00 46.02 44.20 2ckj n GLY 392 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2ckj s TYR 393 N -4.52 1.79 -1.56 1.61 5.04 -1.26 -1.77 117.35 116.67 2ckj s TYR 393 Ca 0.00 0.34 -0.13 0.00 -2.44 0.00 0.00 57.07 54.84 2ckj s TYR 393 Cb 0.00 -4.01 0.10 0.00 0.35 0.00 0.00 41.96 38.39 2ckj s TYR 393 CO 0.00 -3.67 0.87 0.54 -1.34 0.00 0.00 175.55 171.95 2ckj n ARG 394 N 7.79 -4.65 -4.36 4.97 1.74 -1.26 -5.01 116.66 115.88 2ckj n ARG 394 Ca 0.21 0.52 -0.24 0.00 -0.77 0.00 0.00 57.85 57.57 2ckj n ARG 394 Cb 0.44 -5.29 -0.11 0.00 -1.02 0.00 0.00 32.46 26.48 2ckj n ARG 394 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2ckj s LYS 395 N -6.67 1.34 0.00 5.56 1.02 -0.73 -4.71 119.74 115.55 2ckj s LYS 395 Ca 0.60 -1.42 0.00 0.00 0.02 0.00 0.00 55.97 55.16 2ckj s LYS 395 Cb -0.31 -1.50 0.00 0.00 -0.52 0.00 0.00 37.83 35.50 2ckj s LYS 395 CO 0.86 0.32 0.00 0.25 -0.92 0.00 0.00 175.35 175.86 2ckj n THR 396 N 0.35 0.00 0.13 2.17 -2.24 -1.26 -4.12 114.28 109.31 2ckj n THR 396 Ca -0.13 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.65 2ckj n THR 396 Cb 0.56 0.00 0.02 0.00 -2.10 0.00 0.00 70.33 68.81 2ckj n THR 396 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2ckj h LEU 397 N 0.00 0.00 -9.08 3.22 3.38 -1.88 -3.46 115.31 107.49 2ckj h LEU 397 Ca 0.00 0.00 -0.71 0.00 0.09 0.00 0.00 57.88 57.26 2ckj h LEU 397 Cb 0.00 0.00 0.08 0.00 0.09 0.00 0.00 40.66 40.83 2ckj h LEU 397 CO 0.00 0.59 -0.15 0.18 0.09 0.00 0.00 178.44 179.15 2ckj n LEU 398 N -3.27 -0.20 -4.91 1.67 7.99 -1.26 -5.02 117.00 112.00 2ckj n LEU 398 Ca 0.01 1.14 -0.28 0.00 -0.01 0.00 0.00 56.01 56.88 2ckj n LEU 398 Cb 0.76 -1.00 0.06 0.00 -0.11 0.00 0.00 43.42 43.13 2ckj n LEU 398 CO 0.42 -2.25 0.69 -0.94 -1.51 0.00 0.00 177.39 173.80 2ckj s SER 399 N -0.45 5.07 0.52 -1.43 1.04 -1.26 -4.98 113.70 112.20 2ckj s SER 399 Ca 0.75 0.79 0.25 0.00 0.48 0.00 0.00 55.95 58.22 2ckj s SER 399 Cb -1.03 -1.51 1.42 0.00 0.10 0.00 0.00 66.02 65.00 2ckj s SER 399 CO 0.56 -1.50 2.09 -0.65 0.98 0.00 0.00 173.24 174.71 2ckj h PRO 400 N -0.66 0.00 -0.01 4.02 0.11 -1.95 -2.83 132.00 130.67 2ckj h PRO 400 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2ckj h PRO 400 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 2ckj h PRO 400 CO 0.63 0.11 -0.09 0.39 -0.21 0.00 0.00 178.00 178.84 2ckj n GLU 401 N -3.82 1.38 -2.94 1.05 4.71 -1.26 -4.74 120.64 115.01 2ckj n GLU 401 Ca -0.02 -0.80 -0.38 0.00 -0.01 0.00 0.00 57.16 55.96 2ckj n GLU 401 Cb 0.21 -1.48 -0.06 0.00 -1.01 0.00 0.00 31.44 29.10 2ckj n GLU 401 CO 0.00 0.00 0.00 -1.21 0.09 0.00 0.00 177.13 176.01 2ckj s GLU 402 N -2.17 4.49 0.29 3.49 2.02 -1.07 -4.56 118.70 121.18 2ckj s GLU 402 Ca 0.33 1.14 0.10 0.00 0.02 0.00 0.00 54.97 56.56 2ckj s GLU 402 Cb 0.20 -2.99 -0.06 0.00 0.10 0.00 0.00 34.13 31.39 2ckj s GLU 402 CO 0.40 0.42 -0.14 0.96 0.02 0.00 0.00 175.26 176.91 2ckj s ILE 403 N -1.42 2.21 -0.30 -1.63 -4.36 0.62 -4.81 121.20 111.50 2ckj s ILE 403 Ca 0.43 -2.29 -0.18 0.00 -0.26 0.00 0.00 60.65 58.35 2ckj s ILE 403 Cb -0.20 -2.39 -0.02 0.00 1.25 0.00 0.00 42.46 41.10 2ckj s ILE 403 CO 0.24 -0.35 0.51 -0.22 0.24 0.00 0.00 174.94 175.36 2ckj s LEU 404 N -3.51 4.17 -0.06 0.37 2.96 -1.26 -1.40 118.68 119.95 2ckj s LEU 404 Ca 0.30 0.28 -0.08 0.00 -0.22 0.00 0.00 54.13 54.40 2ckj s LEU 404 Cb -0.01 -2.62 -0.05 0.00 0.50 0.00 0.00 46.19 44.01 2ckj s LEU 404 CO 0.14 -0.37 0.37 0.25 -1.32 0.00 0.00 176.35 175.42 2ckj h LEU 405 N 8.92 -0.25 -7.29 -0.68 5.85 -1.78 -3.43 115.31 116.64 2ckj h LEU 405 Ca -0.29 0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.34 2ckj h LEU 405 Cb 1.13 0.07 -0.22 0.00 0.37 0.00 0.00 40.66 42.01 2ckj h LEU 405 CO 0.74 0.16 -0.14 -0.94 -0.34 0.00 0.00 178.44 177.92 2ckj s SER 406 N -4.95 -0.43 0.28 1.25 1.04 -1.20 -1.39 113.70 108.30 2ckj s SER 406 Ca -0.04 0.66 -0.06 0.00 0.48 0.00 0.00 55.95 56.98 2ckj s SER 406 Cb 0.00 0.70 -0.06 0.00 0.10 0.00 0.00 66.02 66.77 2ckj s SER 406 CO 0.13 -0.32 0.56 -0.51 0.98 0.00 0.00 173.24 174.08 2ckj s ILE 407 N -0.46 5.00 -0.18 -1.02 1.10 -1.12 -2.16 121.20 122.37 2ckj s ILE 407 Ca -0.06 0.16 -0.03 0.00 -0.51 0.00 0.00 60.65 60.21 2ckj s ILE 407 Cb -0.03 -3.71 0.06 0.00 0.15 0.00 0.00 42.46 38.93 2ckj s ILE 407 CO 0.03 -0.27 0.04 -0.70 -2.11 0.00 0.00 174.94 171.93 2ckj s GLU 408 N -3.40 0.57 -0.18 3.50 2.12 -0.80 -1.32 118.70 119.19 2ckj s GLU 408 Ca 0.45 -0.35 -0.23 0.00 0.36 0.00 0.00 54.97 55.20 2ckj s GLU 408 Cb -0.11 -2.02 -0.02 0.00 0.26 0.00 0.00 34.13 32.24 2ckj s GLU 408 CO 0.28 -0.63 0.70 0.42 -0.54 0.00 0.00 175.26 175.50 2ckj s ILE 409 N 1.90 4.97 0.20 -3.70 1.01 -0.25 -2.03 121.20 123.31 2ckj s ILE 409 Ca -0.00 1.36 -0.17 0.00 0.00 0.00 0.00 60.65 61.84 2ckj s ILE 409 Cb -0.17 -4.02 -0.08 0.00 0.01 0.00 0.00 42.46 38.21 2ckj s ILE 409 CO -0.08 0.09 0.66 -2.16 0.00 0.00 0.00 174.94 173.45 2ckj s PRO 410 N 1.90 4.13 0.80 2.79 0.04 -1.26 -1.65 135.00 141.74 2ckj s PRO 410 Ca 0.33 0.71 -0.12 0.00 0.04 0.00 0.00 61.00 61.96 2ckj s PRO 410 Cb -0.16 -2.86 0.08 0.00 0.04 0.00 0.00 34.50 31.59 2ckj s PRO 410 CO 0.12 0.40 1.14 0.71 0.04 0.00 0.00 177.00 179.41 2ckj s TYR 411 N -1.54 2.15 -0.21 0.56 1.51 -1.15 -4.61 117.35 114.05 2ckj s TYR 411 Ca 0.42 1.65 -0.10 0.00 -1.01 0.00 0.00 57.07 58.02 2ckj s TYR 411 Cb -0.15 -3.25 -0.05 0.00 -0.11 0.00 0.00 41.96 38.39 2ckj s TYR 411 CO 0.20 -2.30 0.14 0.45 -1.11 0.00 0.00 175.55 172.94 2ckj s SER 412 N -2.75 6.19 1.08 2.29 0.15 0.74 -4.95 113.70 116.45 2ckj s SER 412 Ca 0.67 0.20 -0.12 0.00 0.70 0.00 0.00 55.95 57.40 2ckj s SER 412 Cb -0.22 -2.10 0.23 0.00 -1.71 0.00 0.00 66.02 62.23 2ckj s SER 412 CO 0.52 0.14 1.06 -0.13 1.20 0.00 0.00 173.24 176.04 2ckj s ARG 413 N 0.57 -0.23 -0.22 5.44 0.52 -1.26 -3.28 118.95 120.49 2ckj s ARG 413 Ca 0.08 0.86 -0.29 0.00 -0.52 0.00 0.00 55.73 55.87 2ckj s ARG 413 Cb -0.12 -1.63 -0.03 0.00 0.52 0.00 0.00 34.95 33.69 2ckj s ARG 413 CO 0.00 -3.27 1.66 -1.21 0.02 0.00 0.00 175.30 172.50 2ckj s GLU 414 N -4.63 3.75 -0.77 3.54 0.41 -1.26 -2.54 118.70 117.20 2ckj s GLU 414 Ca 0.67 1.68 -0.04 0.00 -0.41 0.00 0.00 54.97 56.87 2ckj s GLU 414 Cb -0.23 -4.06 0.00 0.00 -1.78 0.00 0.00 34.13 28.06 2ckj s GLU 414 CO 0.62 -1.36 0.67 0.41 -0.49 0.00 0.00 175.26 175.11 2ckj n GLY 415 N 4.76 0.06 3.22 -1.39 0.00 -1.26 -4.94 105.19 105.63 2ckj n GLY 415 Ca 0.19 -0.13 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 2ckj n GLY 415 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ckj s GLU 416 N -5.56 3.04 -0.02 1.61 2.12 -1.05 -2.80 118.70 116.04 2ckj s GLU 416 Ca 0.27 -0.88 0.05 0.00 0.36 0.00 0.00 54.97 54.77 2ckj s GLU 416 Cb -0.12 -2.30 -0.01 0.00 0.26 0.00 0.00 34.13 31.96 2ckj s GLU 416 CO 0.43 0.19 -0.15 0.71 -0.54 0.00 0.00 175.26 175.89 2ckj s TYR 417 N 0.32 1.39 -0.05 5.30 4.12 0.34 -4.83 117.35 123.94 2ckj s TYR 417 Ca -0.18 -0.29 -0.02 0.00 0.02 0.00 0.00 57.07 56.60 2ckj s TYR 417 Cb -0.18 -0.91 0.04 0.00 -1.52 0.00 0.00 41.96 39.39 2ckj s TYR 417 CO 0.09 -0.05 0.11 0.12 0.02 0.00 0.00 175.55 175.84 2ckj s PHE 418 N -0.28 -0.10 0.33 2.71 5.99 -1.26 -1.51 117.98 123.87 2ckj s PHE 418 Ca 0.04 0.39 0.05 0.00 0.00 0.00 0.00 56.93 57.41 2ckj s PHE 418 Cb -0.07 -0.16 -0.07 0.00 0.00 0.00 0.00 43.02 42.73 2ckj s PHE 418 CO -0.00 -0.16 0.03 -1.12 -0.00 0.00 0.00 175.22 173.97 2ckj s SER 419 N 1.30 2.76 -0.01 6.13 0.01 -1.10 -4.85 113.70 117.94 2ckj s SER 419 Ca -0.07 -1.34 0.01 0.00 1.31 0.00 0.00 55.95 55.86 2ckj s SER 419 Cb -0.12 -0.17 0.00 0.00 0.21 0.00 0.00 66.02 65.94 2ckj s SER 419 CO -0.05 -0.53 -0.04 0.00 0.41 0.00 0.00 173.24 173.03 2ckj s ALA 420 N -3.12 0.35 0.08 1.44 0.00 -1.26 -1.67 121.76 117.58 2ckj s ALA 420 Ca 0.35 -0.14 0.04 0.00 0.00 0.00 0.00 51.96 52.21 2ckj s ALA 420 Cb 0.08 -0.12 -0.03 0.00 0.00 0.00 0.00 23.12 23.05 2ckj s ALA 420 CO 0.15 0.07 -0.12 -0.06 0.00 0.00 0.00 175.76 175.80 2ckj s PHE 421 N 0.03 1.12 -0.14 0.00 0.40 -0.03 -4.97 117.98 114.38 2ckj s PHE 421 Ca 0.00 -0.53 -0.12 0.00 -0.60 0.00 0.00 56.93 55.68 2ckj s PHE 421 Cb -0.03 -0.62 0.04 0.00 0.51 0.00 0.00 43.02 42.92 2ckj s PHE 421 CO -0.00 0.03 0.38 0.21 0.70 0.00 0.00 175.22 176.54 2ckj s LYS 422 N -2.11 0.43 0.05 0.44 2.20 -1.26 -0.11 119.74 119.38 2ckj s LYS 422 Ca 0.00 0.56 0.02 0.00 -0.36 0.00 0.00 55.97 56.18 2ckj s LYS 422 Cb -0.07 0.18 -0.03 0.00 -1.51 0.00 0.00 37.83 36.39 2ckj s LYS 422 CO 0.01 -0.07 -0.06 -1.14 -0.36 0.00 0.00 175.35 173.73 2ckj s GLN 423 N 0.37 0.57 0.34 4.03 2.00 -1.23 -5.05 119.66 120.68 2ckj s GLN 423 Ca -0.01 -0.89 0.00 0.00 -2.00 0.00 0.00 55.36 52.45 2ckj s GLN 423 Cb -0.04 -0.18 0.00 0.00 0.80 0.00 0.00 33.01 33.60 2ckj s GLN 423 CO -0.01 0.01 0.00 0.00 -0.50 0.00 0.00 175.29 174.79 2ckj n ALA 424 N 1.07 2.30 -0.88 1.58 0.00 -1.26 -3.93 120.51 119.38 2ckj n ALA 424 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.24 2ckj n ALA 424 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 2ckj n ALA 424 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2ckj n SER 425 N -3.49 -2.49 -2.55 0.00 3.41 -1.26 -4.65 113.62 102.58 2ckj n SER 425 Ca 0.00 0.11 -0.05 0.00 -0.26 0.00 0.00 58.87 58.67 2ckj n SER 425 Cb 0.00 -1.28 -0.04 0.00 -0.26 0.00 0.00 64.21 62.63 2ckj n SER 425 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 2ckj n ARG 426 N 0.13 -4.30 0.06 4.33 0.63 -1.26 -4.62 116.66 111.63 2ckj n ARG 426 Ca 0.00 3.27 -0.01 0.00 -0.92 0.00 0.00 57.85 60.20 2ckj n ARG 426 Cb 0.00 -4.94 0.29 0.00 0.45 0.00 0.00 32.46 28.26 2ckj n ARG 426 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2ckj h ARG 427 N 3.79 0.35 -6.29 -0.14 3.08 -1.97 -3.39 114.38 109.81 2ckj h ARG 427 Ca -0.49 -0.11 -0.57 0.00 0.07 0.00 0.00 59.98 58.88 2ckj h ARG 427 Cb 1.11 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 31.09 2ckj h ARG 427 CO 0.02 0.54 1.01 -1.83 -1.07 0.00 0.00 179.97 178.65 2ckj s GLU 428 N -4.58 3.95 0.00 0.04 1.03 -1.26 -3.95 118.70 113.93 2ckj s GLU 428 Ca -0.06 1.50 0.00 0.00 0.03 0.00 0.00 54.97 56.44 2ckj s GLU 428 Cb 0.15 -3.91 0.00 0.00 -0.80 0.00 0.00 34.13 29.56 2ckj s GLU 428 CO 0.76 -1.08 0.00 -3.47 -1.33 0.00 0.00 175.26 170.14 2ckj n ASP 429 N 7.66 -2.98 0.00 0.83 4.64 -1.25 -4.97 116.55 120.48 2ckj n ASP 429 Ca 0.16 0.86 0.00 0.00 -1.38 0.00 0.00 54.79 54.43 2ckj n ASP 429 Cb 0.46 -1.33 0.00 0.00 -1.04 0.00 0.00 41.12 39.21 2ckj n ASP 429 CO 0.00 0.00 0.00 0.47 -0.82 0.00 0.00 177.20 176.85 2ckj n ASP 430 N 2.12 0.00 -4.53 1.67 8.00 -1.24 -4.91 116.55 117.66 2ckj n ASP 430 Ca 0.00 0.00 -0.34 0.00 0.71 0.00 0.00 54.79 55.16 2ckj n ASP 430 Cb 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 40.99 2ckj n ASP 430 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 2ckj s ILE 431 N -2.08 4.15 -0.71 0.53 2.07 -1.26 -4.94 121.20 118.96 2ckj s ILE 431 Ca 0.00 -0.26 0.04 0.00 -1.41 0.00 0.00 60.65 59.02 2ckj s ILE 431 Cb 0.00 -2.84 0.26 0.00 0.13 0.00 0.00 42.46 40.01 2ckj s ILE 431 CO 0.00 0.48 0.88 0.00 -1.91 0.00 0.00 174.94 174.38 2ckj n ALA 432 N 3.61 4.28 0.00 1.50 0.00 -1.26 -4.79 120.51 123.85 2ckj n ALA 432 Ca -0.17 -4.78 0.00 0.00 0.00 0.00 0.00 53.44 48.48 2ckj n ALA 432 Cb 0.52 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.83 2ckj n ALA 432 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2ckj n LYS 433 N 0.91 0.00 -3.43 0.00 5.02 -1.25 -4.38 118.16 115.02 2ckj n LYS 433 Ca 0.29 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.42 2ckj n LYS 433 Cb 0.40 0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 35.30 2ckj n LYS 433 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2ckj s VAL 434 N 0.00 -0.39 0.08 -0.18 1.01 -1.26 -4.23 120.40 115.43 2ckj s VAL 434 Ca 0.00 -0.32 0.04 0.00 0.00 0.00 0.00 61.98 61.71 2ckj s VAL 434 Cb 0.00 -0.86 -0.03 0.00 0.00 0.00 0.00 36.38 35.49 2ckj s VAL 434 CO 0.00 -0.34 -0.12 0.28 0.00 0.00 0.00 175.10 174.91 2ckj s THR 435 N 2.37 1.02 0.01 3.92 -1.32 -0.74 -3.56 115.64 117.33 2ckj s THR 435 Ca 0.09 -1.40 -0.11 0.00 -1.21 0.00 0.00 61.69 59.06 2ckj s THR 435 Cb -0.15 -1.12 0.01 0.00 -1.51 0.00 0.00 72.50 69.73 2ckj s THR 435 CO -0.24 -0.34 0.22 -0.55 -2.21 0.00 0.00 174.62 171.50 2ckj s SER 436 N -1.96 -0.06 -0.07 8.08 0.15 0.85 -0.54 113.70 120.16 2ckj s SER 436 Ca -0.00 -0.13 0.05 0.00 0.70 0.00 0.00 55.95 56.57 2ckj s SER 436 Cb -0.08 0.27 -0.01 0.00 -1.71 0.00 0.00 66.02 64.50 2ckj s SER 436 CO 0.02 -0.45 -0.23 -0.83 1.20 0.00 0.00 173.24 172.94 2ckj s GLY 437 N -1.55 1.24 -0.05 9.45 0.00 -0.73 -0.85 107.32 114.83 2ckj s GLY 437 Ca -0.12 -0.96 0.04 0.00 0.00 0.00 0.00 44.72 43.68 2ckj s GLY 437 CO 0.01 -0.50 -0.18 1.06 0.00 0.00 0.00 173.10 173.49 2ckj s MET 438 N 0.02 1.92 -0.02 2.90 -1.94 -0.67 -1.05 119.30 120.47 2ckj s MET 438 Ca -0.08 -0.63 0.01 0.00 -1.71 0.00 0.00 55.69 53.28 2ckj s MET 438 Cb -0.15 -1.63 0.01 0.00 2.01 0.00 0.00 34.83 35.07 2ckj s MET 438 CO 0.05 0.23 -0.01 0.50 -0.01 0.00 0.00 175.02 175.77 2ckj s ARG 439 N 0.11 0.26 -0.01 2.03 3.52 0.73 -2.69 118.95 122.89 2ckj s ARG 439 Ca -0.06 -0.01 0.02 0.00 -0.13 0.00 0.00 55.73 55.55 2ckj s ARG 439 Cb -0.13 -0.35 0.00 0.00 -1.56 0.00 0.00 34.95 32.92 2ckj s ARG 439 CO 0.03 -0.04 -0.07 0.54 -0.81 0.00 0.00 175.30 174.95 2ckj s VAL 440 N 0.49 0.58 -0.05 7.11 0.11 -0.57 -1.47 120.40 126.59 2ckj s VAL 440 Ca -0.05 -0.28 0.06 0.00 -2.93 0.00 0.00 61.98 58.78 2ckj s VAL 440 Cb -0.08 -0.51 -0.01 0.00 -1.53 0.00 0.00 36.38 34.26 2ckj s VAL 440 CO -0.01 0.18 -0.22 -0.22 -3.33 0.00 0.00 175.10 171.50 2ckj s LEU 441 N 0.07 2.01 0.13 2.54 2.96 -0.64 -0.50 118.68 125.24 2ckj s LEU 441 Ca -0.01 -0.45 0.03 0.00 -0.22 0.00 0.00 54.13 53.49 2ckj s LEU 441 Cb -0.06 -1.21 -0.04 0.00 0.50 0.00 0.00 46.19 45.39 2ckj s LEU 441 CO -0.00 0.21 0.18 -0.36 -1.32 0.00 0.00 176.35 175.06 2ckj s PHE 442 N -0.12 3.31 -0.09 5.38 2.99 -1.12 -0.57 117.98 127.76 2ckj s PHE 442 Ca -0.03 0.08 -0.29 0.00 0.00 0.00 0.00 56.93 56.69 2ckj s PHE 442 Cb -0.13 -1.61 -0.06 0.00 0.00 0.00 0.00 43.02 41.22 2ckj s PHE 442 CO 0.03 0.53 1.84 0.21 -0.00 0.00 0.00 175.22 177.82 2ckj s LYS 443 N -2.92 3.92 0.66 0.44 2.20 -1.26 -4.62 119.74 118.16 2ckj s LYS 443 Ca 0.32 2.19 -0.13 0.00 -0.36 0.00 0.00 55.97 57.99 2ckj s LYS 443 Cb -0.11 -4.12 -0.00 0.00 -1.51 0.00 0.00 37.83 32.09 2ckj s LYS 443 CO 0.25 -1.18 1.07 -1.25 -0.36 0.00 0.00 175.35 173.89 2ckj s PRO 444 N 4.68 2.94 0.00 4.03 0.04 -1.26 -3.08 135.00 142.35 2ckj s PRO 444 Ca 0.82 1.17 0.00 0.00 0.04 0.00 0.00 61.00 63.03 2ckj s PRO 444 Cb -0.34 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.21 2ckj s PRO 444 CO 0.34 -1.11 0.00 0.41 0.04 0.00 0.00 177.00 176.69 2ckj n GLY 445 N -1.19 0.23 3.23 0.56 0.00 -1.26 -4.98 105.19 101.77 2ckj n GLY 445 Ca 0.09 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.02 2ckj n GLY 445 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ckj s THR 446 N -1.56 0.12 0.72 2.61 -4.23 -1.18 -5.17 115.64 106.95 2ckj s THR 446 Ca 0.00 -1.41 -0.16 0.00 -1.18 0.00 0.00 61.69 58.94 2ckj s THR 446 Cb 0.00 -1.62 0.03 0.00 1.34 0.00 0.00 72.50 72.25 2ckj s THR 446 CO 0.00 -0.55 1.26 0.28 -0.54 0.00 0.00 174.62 175.07 2ckj s THR 447 N -3.93 2.03 0.00 3.99 -1.32 -1.26 -4.53 115.64 110.62 2ckj s THR 447 Ca 0.12 0.01 0.00 0.00 -1.21 0.00 0.00 61.69 60.61 2ckj s THR 447 Cb 0.05 -2.76 0.00 0.00 -1.51 0.00 0.00 72.50 68.28 2ckj s THR 447 CO -0.06 -0.01 0.00 1.21 -2.21 0.00 0.00 174.62 173.56 2ckj n GLU 448 N -2.50 0.00 0.00 7.08 2.13 -1.26 -4.75 120.64 121.35 2ckj n GLU 448 Ca 0.15 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.97 2ckj n GLU 448 Cb 0.49 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.20 2ckj n GLU 448 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 2ckj n VAL 449 N -1.75 0.00 0.00 6.31 0.31 -1.26 -3.07 118.33 118.87 2ckj n VAL 449 Ca 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2ckj n VAL 449 Cb 0.00 0.00 -0.00 0.00 -0.91 0.00 0.00 33.84 32.93 2ckj n VAL 449 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 2ckj h GLN 450 N 0.00 -0.00 -6.62 5.55 -0.00 -1.09 -1.01 115.11 111.93 2ckj h GLN 450 Ca 0.00 0.00 -0.69 0.00 -0.00 0.00 0.00 58.65 57.96 2ckj h GLN 450 Cb 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 27.48 27.25 2ckj h GLN 450 CO 0.00 -0.00 -0.83 -1.21 0.00 0.00 0.00 178.83 176.79 2ckj s GLU 451 N -2.31 1.99 -0.08 1.69 2.02 -0.84 -4.66 118.70 116.50 2ckj s GLU 451 Ca -0.00 -1.02 -0.04 0.00 0.02 0.00 0.00 54.97 53.93 2ckj s GLU 451 Cb 0.00 -2.13 0.04 0.00 0.10 0.00 0.00 34.13 32.14 2ckj s GLU 451 CO 0.00 0.53 0.18 -1.17 0.02 0.00 0.00 175.26 174.82 2ckj s LEU 452 N -1.37 0.74 -0.11 1.80 2.96 -1.26 -1.62 118.68 119.82 2ckj s LEU 452 Ca 0.14 0.38 -0.07 0.00 -0.22 0.00 0.00 54.13 54.36 2ckj s LEU 452 Cb -0.10 0.52 0.04 0.00 0.50 0.00 0.00 46.19 47.15 2ckj s LEU 452 CO 0.04 -0.14 0.27 0.00 -1.32 0.00 0.00 176.35 175.20 2ckj s ALA 453 N 1.00 -0.64 -0.24 5.97 0.00 -0.54 -4.81 121.76 122.49 2ckj s ALA 453 Ca -0.08 0.98 0.01 0.00 0.00 0.00 0.00 51.96 52.87 2ckj s ALA 453 Cb -0.09 -0.60 0.06 0.00 0.00 0.00 0.00 23.12 22.49 2ckj s ALA 453 CO -0.06 -0.18 -0.04 -0.51 0.00 0.00 0.00 175.76 174.97 2ckj s LEU 454 N 0.92 2.66 -0.10 0.00 1.43 -1.26 -0.19 118.68 122.13 2ckj s LEU 454 Ca -0.06 -1.24 0.02 0.00 -1.03 0.00 0.00 54.13 51.82 2ckj s LEU 454 Cb -0.07 -1.19 -0.01 0.00 0.03 0.00 0.00 46.19 44.94 2ckj s LEU 454 CO -0.06 -0.25 -0.17 0.00 0.23 0.00 0.00 176.35 176.10 2ckj s TYR 456 N 0.07 2.40 0.13 0.00 1.51 0.62 -1.78 117.35 120.31 2ckj s TYR 456 Ca -0.07 -1.22 -0.14 0.00 -1.01 0.00 0.00 57.07 54.63 2ckj s TYR 456 Cb -0.15 -1.67 -0.07 0.00 -0.11 0.00 0.00 41.96 39.96 2ckj s TYR 456 CO 0.05 -0.59 0.54 0.20 -1.11 0.00 0.00 175.55 174.64 2ckj s GLY 457 N 0.98 2.47 0.00 0.71 0.00 0.30 -1.66 107.32 110.12 2ckj s GLY 457 Ca -0.05 -0.14 0.00 0.00 0.00 0.00 0.00 44.72 44.54 2ckj s GLY 457 CO -0.04 0.15 0.00 0.61 0.00 0.00 0.00 173.10 173.83 2ckj n GLY 458 N 0.89 0.50 0.01 0.20 0.00 -1.23 -1.80 105.19 103.77 2ckj n GLY 458 Ca -0.06 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.07 2ckj n GLY 458 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2ckj n MET 459 N -2.00 0.37 0.00 1.61 2.00 -1.26 -4.79 117.12 113.05 2ckj n MET 459 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 57.70 57.61 2ckj n MET 459 Cb 0.00 -1.54 0.00 0.00 0.00 0.00 0.00 33.22 31.68 2ckj n MET 459 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2ckj n ALA 460 N -1.92 0.00 -0.02 3.04 0.00 -1.26 -5.02 120.51 115.33 2ckj n ALA 460 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.42 2ckj n ALA 460 Cb 0.46 0.00 0.26 0.00 0.00 0.00 0.00 19.45 20.17 2ckj n ALA 460 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2ckj h ASN 461 N 0.00 0.54 -2.27 0.00 2.35 -1.98 -3.48 115.58 110.74 2ckj h ASN 461 Ca 0.00 -0.12 -0.06 0.00 -0.55 0.00 0.00 56.30 55.57 2ckj h ASN 461 Cb 0.00 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.22 2ckj h ASN 461 CO 0.00 0.64 0.06 -2.11 -1.65 0.00 0.00 177.43 174.37 2ckj n ARG 462 N -4.24 0.48 -2.34 0.81 1.85 -1.26 -4.29 116.66 107.66 2ckj n ARG 462 Ca 0.01 -1.21 -0.43 0.00 -1.00 0.00 0.00 57.85 55.22 2ckj n ARG 462 Cb 0.28 1.36 -0.02 0.00 -1.05 0.00 0.00 32.46 33.03 2ckj n ARG 462 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 2ckj s THR 463 N -2.58 3.88 0.26 8.89 2.01 -1.26 -4.66 115.64 122.18 2ckj s THR 463 Ca 0.10 0.89 0.07 0.00 0.31 0.00 0.00 61.69 63.06 2ckj s THR 463 Cb -0.02 -4.21 -0.04 0.00 0.01 0.00 0.00 72.50 68.25 2ckj s THR 463 CO 0.08 -0.78 0.18 0.27 -0.69 0.00 0.00 174.62 173.68 2ckj s ILE 464 N 5.54 4.28 -0.02 1.82 -0.00 -0.67 -4.91 121.20 127.24 2ckj s ILE 464 Ca 0.61 -1.45 -0.02 0.00 -0.00 0.00 0.00 60.65 59.78 2ckj s ILE 464 Cb -0.14 -3.33 -0.04 0.00 -0.00 0.00 0.00 42.46 38.95 2ckj s ILE 464 CO 0.32 -0.34 0.15 -0.55 -0.00 0.00 0.00 174.94 174.52 2ckj s SER 465 N -3.84 6.16 0.09 4.36 0.15 -1.26 0.23 113.70 119.59 2ckj s SER 465 Ca 0.33 0.30 0.04 0.00 0.70 0.00 0.00 55.95 57.33 2ckj s SER 465 Cb -0.08 -1.90 0.32 0.00 -1.71 0.00 0.00 66.02 62.66 2ckj s SER 465 CO 0.25 0.28 0.41 0.00 1.20 0.00 0.00 173.24 175.37 2ckj n ALA 466 N 1.12 0.24 0.21 5.45 0.00 0.16 -4.83 120.51 122.86 2ckj n ALA 466 Ca -0.12 0.27 0.04 0.00 0.00 0.00 0.00 53.44 53.62 2ckj n ALA 466 Cb 0.53 -0.25 0.45 0.00 0.00 0.00 0.00 19.45 20.18 2ckj n ALA 466 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.50 178.87 2ckj h LEU 467 N 0.00 0.01 0.19 0.00 8.10 -1.96 -3.29 115.31 118.36 2ckj h LEU 467 Ca 0.21 -0.00 0.01 0.00 0.11 0.00 0.00 57.88 58.21 2ckj h LEU 467 Cb 0.53 -0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 40.71 2ckj h LEU 467 CO -0.21 0.25 -0.34 0.11 -4.11 0.00 0.00 178.44 174.14 2ckj h LYS 468 N 0.01 -0.59 -0.16 0.17 1.57 -1.99 0.42 116.57 116.00 2ckj h LYS 468 Ca -0.00 0.04 0.03 0.00 -1.87 0.00 0.00 60.65 58.85 2ckj h LYS 468 Cb 0.42 0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.83 2ckj h LYS 468 CO 0.03 -0.39 -0.05 1.15 -0.57 0.00 0.00 179.45 179.61 2ckj h THR 469 N -0.61 0.81 -0.34 -0.16 2.02 -1.89 -2.60 112.91 110.14 2ckj h THR 469 Ca 0.01 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.24 2ckj h THR 469 Cb 0.61 0.81 -0.08 0.00 -1.74 0.00 0.00 68.15 67.75 2ckj h THR 469 CO -0.15 0.00 -0.55 0.74 0.37 0.00 0.00 175.52 175.92 2ckj h THR 470 N -0.02 0.00 0.00 3.16 2.02 -1.69 -3.11 112.91 113.27 2ckj h THR 470 Ca 0.08 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.26 2ckj h THR 470 Cb 0.15 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.56 2ckj h THR 470 CO -0.18 0.00 0.00 1.67 0.37 0.00 0.00 175.52 177.38 2ckj n GLN 471 N -5.37 0.00 -0.00 6.66 -0.06 0.15 -1.61 117.38 117.14 2ckj n GLN 471 Ca -0.04 0.01 0.00 0.00 -2.00 0.00 0.00 57.00 54.97 2ckj n GLN 471 Cb 0.35 -0.32 0.01 0.00 -4.06 0.00 0.00 30.24 26.21 2ckj n GLN 471 CO 0.00 0.00 0.00 -2.13 -0.20 0.00 0.00 177.06 174.73 2ckj n ARG 472 N -0.02 -0.00 0.00 3.69 0.63 -1.18 -0.79 116.66 118.99 2ckj n ARG 472 Ca 0.00 0.02 0.15 0.00 -0.92 0.00 0.00 57.85 57.09 2ckj n ARG 472 Cb 0.00 -0.03 0.85 0.00 0.45 0.00 0.00 32.46 33.73 2ckj n ARG 472 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 2ckj n GLN 473 N -3.18 0.84 -2.72 -0.14 1.13 -0.63 -4.86 117.38 107.82 2ckj n GLN 473 Ca 0.00 0.00 -0.42 0.00 -1.94 0.00 0.00 57.00 54.65 2ckj n GLN 473 Cb 0.01 -1.50 -0.03 0.00 0.11 0.00 0.00 30.24 28.83 2ckj n GLN 473 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 2ckj s LEU 474 N -2.08 4.31 -1.23 1.08 0.20 0.02 -3.23 118.68 117.75 2ckj s LEU 474 Ca 0.41 1.56 -0.19 0.00 0.69 0.00 0.00 54.13 56.61 2ckj s LEU 474 Cb 0.20 -3.53 0.01 0.00 -0.43 0.00 0.00 46.19 42.44 2ckj s LEU 474 CO 0.35 -0.34 0.65 -1.54 -0.29 0.00 0.00 176.35 175.18 2ckj n SER 475 N 4.43 -3.65 0.00 3.68 3.41 -0.38 -5.08 113.62 116.02 2ckj n SER 475 Ca 0.07 -1.10 0.00 0.00 -0.26 0.00 0.00 58.87 57.58 2ckj n SER 475 Cb 0.50 -2.80 0.00 0.00 -0.26 0.00 0.00 64.21 61.65 2ckj n SER 475 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2ckj n LYS 476 N -4.47 3.73 -4.18 4.33 5.02 -1.18 -4.99 118.16 116.42 2ckj n LYS 476 Ca -0.15 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 55.98 2ckj n LYS 476 Cb 0.61 0.00 -0.14 0.00 -0.02 0.00 0.00 35.03 35.48 2ckj n LYS 476 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2ckj s LEU 477 N 0.00 2.03 -0.77 -0.35 1.02 -1.25 -4.23 118.68 115.13 2ckj s LEU 477 Ca 0.00 -0.14 -0.25 0.00 0.02 0.00 0.00 54.13 53.76 2ckj s LEU 477 Cb 0.00 -0.29 -0.07 0.00 0.02 0.00 0.00 46.19 45.85 2ckj s LEU 477 CO 0.00 0.05 2.11 0.86 0.02 0.00 0.00 176.35 179.39 2ckj s TRP 478 N -0.23 1.52 0.10 0.29 -0.11 -1.26 -4.57 118.94 114.67 2ckj s TRP 478 Ca 0.01 1.13 -0.25 0.00 1.22 0.00 0.00 56.10 58.21 2ckj s TRP 478 Cb -0.03 -3.84 0.08 0.00 -1.50 0.00 0.00 33.47 28.18 2ckj s TRP 478 CO -0.00 -1.89 0.75 0.15 -4.62 0.00 0.00 176.95 171.34 2ckj s LYS 479 N 7.66 1.12 0.24 5.86 1.02 -1.26 -5.07 119.74 129.32 2ckj s LYS 479 Ca 0.79 -0.45 -0.07 0.00 0.02 0.00 0.00 55.97 56.25 2ckj s LYS 479 Cb -0.11 0.49 0.39 0.00 -0.52 0.00 0.00 37.83 38.09 2ckj s LYS 479 CO 0.08 -0.50 1.36 -1.91 -0.92 0.00 0.00 175.35 173.47 2ckj n GLU 480 N -0.34 -0.08 0.00 1.68 4.07 -1.26 -1.02 120.64 123.69 2ckj n GLU 480 Ca -0.12 1.36 0.16 0.00 -0.06 0.00 0.00 57.16 58.49 2ckj n GLU 480 Cb 0.63 -2.02 0.85 0.00 -0.06 0.00 0.00 31.44 30.84 2ckj n GLU 480 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 2ckj n GLU 481 N -5.41 1.15 0.06 5.31 4.71 -1.26 0.49 120.64 125.68 2ckj n GLU 481 Ca 0.14 -0.22 -0.21 0.00 -0.01 0.00 0.00 57.16 56.87 2ckj n GLU 481 Cb 0.43 -1.50 -0.14 0.00 -1.01 0.00 0.00 31.44 29.23 2ckj n GLU 481 CO 0.00 0.00 0.00 1.25 0.09 0.00 0.00 177.13 178.47 2ckj h LEU 482 N 0.53 0.61 -1.39 -4.62 5.85 -1.32 -3.26 115.31 111.70 2ckj h LEU 482 Ca 0.00 -0.89 -0.04 0.00 0.84 0.00 0.00 57.88 57.80 2ckj h LEU 482 Cb 0.11 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 2ckj h LEU 482 CO 0.00 1.44 -0.01 0.25 -0.34 0.00 0.00 178.44 179.78 2ckj h LEU 483 N -0.13 0.36 -0.03 2.25 5.85 0.06 0.22 115.31 123.88 2ckj h LEU 483 Ca -0.15 -0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.47 2ckj h LEU 483 Cb 1.69 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.63 2ckj h LEU 483 CO 0.18 0.43 -0.15 1.56 -0.34 0.00 0.00 178.44 180.11 2ckj h GLN 484 N 0.38 0.16 -0.07 1.25 1.08 -1.59 -3.04 115.11 113.29 2ckj h GLN 484 Ca 0.09 -0.13 -0.11 0.00 -1.45 0.00 0.00 58.65 57.04 2ckj h GLN 484 Cb 0.27 0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.71 2ckj h GLN 484 CO 0.01 0.78 -0.47 0.22 -0.95 0.00 0.00 178.83 178.41 2ckj h ASP 485 N -0.42 0.19 0.91 1.46 1.82 -0.75 -0.94 116.42 118.68 2ckj h ASP 485 Ca -0.01 -0.09 -0.04 0.00 -0.39 0.00 0.00 57.03 56.50 2ckj h ASP 485 Cb 0.81 -0.05 0.01 0.00 0.68 0.00 0.00 39.33 40.77 2ckj h ASP 485 CO 0.03 0.64 -0.44 0.58 -1.61 0.00 0.00 179.24 178.44 2ckj h VAL 486 N 0.14 0.06 0.00 2.25 2.07 -0.89 -2.99 116.25 116.89 2ckj h VAL 486 Ca 0.01 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.46 2ckj h VAL 486 Cb 0.89 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.73 2ckj h VAL 486 CO 0.07 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.66 2ckj h ALA 488 N 2.02 0.83 0.00 0.00 0.00 -1.08 -3.30 119.26 117.73 2ckj h ALA 488 Ca 0.00 -0.64 -0.00 0.00 0.00 0.00 0.00 54.91 54.27 2ckj h ALA 488 Cb 0.20 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 2ckj h ALA 488 CO 0.00 0.88 -1.91 0.41 0.00 0.00 0.00 179.25 178.63 2ckj n GLY 489 N 0.50 -1.04 0.25 0.00 0.00 -0.32 -3.44 105.19 101.14 2ckj n GLY 489 Ca -0.01 -0.49 0.10 0.00 0.00 0.00 0.00 46.02 45.61 2ckj n GLY 489 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2ckj h LEU 490 N 0.00 0.00 0.00 0.99 3.38 -0.58 -2.39 115.31 116.71 2ckj h LEU 490 Ca -0.00 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.74 2ckj h LEU 490 Cb 1.00 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.71 2ckj h LEU 490 CO 0.00 0.12 -1.57 0.00 0.09 0.00 0.00 178.44 177.08 2ckj n ALA 491 N -2.40 1.73 0.03 1.53 0.00 -1.24 -3.22 120.51 116.95 2ckj n ALA 491 Ca -0.02 -0.66 -0.03 0.00 0.00 0.00 0.00 53.44 52.73 2ckj n ALA 491 Cb 0.21 -0.90 -0.01 0.00 0.00 0.00 0.00 19.45 18.75 2ckj n ALA 491 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2ckj h GLU 492 N 0.00 -0.18 -0.15 0.00 4.81 -1.59 -3.33 114.58 114.14 2ckj h GLU 492 Ca -0.23 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.04 2ckj h GLU 492 Cb 1.79 0.04 -0.05 0.00 0.63 0.00 0.00 28.75 31.17 2ckj h GLU 492 CO 0.06 -0.12 -0.38 1.49 -0.73 0.00 0.00 179.01 179.33 2ckj h GLU 493 N -1.04 -0.36 -1.90 1.92 4.81 -1.57 -2.57 114.58 113.87 2ckj h GLU 493 Ca -0.02 0.02 -0.60 0.00 -0.13 0.00 0.00 59.36 58.63 2ckj h GLU 493 Cb 0.15 0.08 -0.22 0.00 0.63 0.00 0.00 28.75 29.39 2ckj h GLU 493 CO 0.03 -0.24 0.68 1.28 -0.73 0.00 0.00 179.01 180.04 2ckj n LEU 494 N -4.55 6.96 -4.80 1.64 4.32 -1.20 -4.95 117.00 114.42 2ckj n LEU 494 Ca -0.04 -4.32 -0.36 0.00 -0.02 0.00 0.00 56.01 51.27 2ckj n LEU 494 Cb 0.26 -1.14 -0.06 0.00 -1.62 0.00 0.00 43.42 40.85 2ckj n LEU 494 CO 0.04 1.69 0.59 -2.28 -1.22 0.00 0.00 177.39 176.21 2ckj s HIS 495 N -2.75 3.62 -0.19 -1.77 2.46 -0.97 -4.89 115.29 110.79 2ckj s HIS 495 Ca 0.55 1.64 -0.06 0.00 0.47 0.00 0.00 55.06 57.67 2ckj s HIS 495 Cb 0.40 -2.82 -0.03 0.00 -0.13 0.00 0.00 32.58 30.00 2ckj s HIS 495 CO -0.27 0.19 0.02 -0.51 -2.47 0.00 0.00 174.74 171.70 2ckj s LEU 496 N -2.22 3.45 0.44 8.88 1.43 -1.26 -5.09 118.68 124.30 2ckj s LEU 496 Ca 0.50 -0.10 -0.24 0.00 -1.03 0.00 0.00 54.13 53.26 2ckj s LEU 496 Cb -0.17 -1.87 -0.08 0.00 0.03 0.00 0.00 46.19 44.11 2ckj s LEU 496 CO 0.21 0.12 1.24 -2.16 0.23 0.00 0.00 176.35 175.99 2ckj s PRO 497 N 0.70 3.83 0.39 1.29 0.04 -1.26 -4.96 135.00 135.03 2ckj s PRO 497 Ca 0.01 1.99 0.28 0.00 0.04 0.00 0.00 61.00 63.32 2ckj s PRO 497 Cb -0.14 -2.58 0.99 0.00 0.04 0.00 0.00 34.50 32.81 2ckj s PRO 497 CO 0.02 -0.56 1.81 -1.35 0.04 0.00 0.00 177.00 176.96 2ckj h PRO 498 N 2.35 0.00 0.00 0.56 0.11 -2.01 -1.36 132.00 131.65 2ckj h PRO 498 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2ckj h PRO 498 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2ckj h PRO 498 CO 0.61 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.00 2ckj n ASP 499 N -2.71 0.19 -4.41 -2.05 5.75 -1.26 -4.67 116.55 107.39 2ckj n ASP 499 Ca 0.02 0.53 -0.44 0.00 -0.01 0.00 0.00 54.79 54.90 2ckj n ASP 499 Cb 0.34 -0.58 -0.01 0.00 -1.03 0.00 0.00 41.12 39.84 2ckj n ASP 499 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2ckj n ALA 500 N -1.57 -2.14 -1.93 2.12 0.00 -0.51 -4.47 120.51 112.00 2ckj n ALA 500 Ca 0.05 0.24 -0.27 0.00 0.00 0.00 0.00 53.44 53.47 2ckj n ALA 500 Cb 0.27 -1.67 0.07 0.00 0.00 0.00 0.00 19.45 18.11 2ckj n ALA 500 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2ckj s PRO 501 N -1.27 2.17 0.00 0.00 0.04 -1.26 -3.22 135.00 131.46 2ckj s PRO 501 Ca 0.62 -0.16 0.00 0.00 0.04 0.00 0.00 61.00 61.49 2ckj s PRO 501 Cb -0.71 -2.12 0.00 0.00 0.04 0.00 0.00 34.50 31.71 2ckj s PRO 501 CO 0.59 -1.30 0.00 0.41 0.04 0.00 0.00 177.00 176.74 2ckj n GLY 502 N -3.00 2.18 7.00 0.56 0.00 -1.26 -4.94 105.19 105.73 2ckj n GLY 502 Ca 0.08 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2ckj n GLY 502 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ckj n GLY 503 N 0.00 0.18 3.57 -0.02 0.00 -1.20 -4.98 105.19 102.73 2ckj n GLY 503 Ca 0.00 -0.93 -0.25 0.00 0.00 0.00 0.00 46.02 44.84 2ckj n GLY 503 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2ckj n MET 504 N 1.54 -1.35 -0.08 1.61 2.81 -1.26 -4.88 117.12 115.51 2ckj n MET 504 Ca 0.00 0.68 -0.12 0.00 -1.81 0.00 0.00 57.70 56.45 2ckj n MET 504 Cb 0.00 -4.28 -0.06 0.00 -0.71 0.00 0.00 33.22 28.16 2ckj n MET 504 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 2ckj h VAL 505 N -1.30 0.55 0.38 2.03 2.07 -1.95 -2.87 116.25 115.16 2ckj h VAL 505 Ca -0.56 -1.60 -0.02 0.00 0.82 0.00 0.00 66.70 65.34 2ckj h VAL 505 Cb 1.31 1.23 -0.00 0.00 -1.52 0.00 0.00 31.29 32.31 2ckj h VAL 505 CO 0.44 0.19 -0.23 0.44 0.02 0.00 0.00 177.57 178.43 2ckj h ASP 506 N -1.00 -0.57 -0.66 0.57 5.19 -1.92 -1.30 116.42 116.73 2ckj h ASP 506 Ca -0.14 0.03 0.22 0.00 -0.62 0.00 0.00 57.03 56.52 2ckj h ASP 506 Cb 0.81 0.16 -0.12 0.00 0.18 0.00 0.00 39.33 40.36 2ckj h ASP 506 CO -0.08 -0.35 0.15 0.33 -3.12 0.00 0.00 179.24 176.16 2ckj n PHE 507 N -3.70 0.56 0.32 4.55 7.35 -1.26 -0.95 117.46 124.32 2ckj n PHE 507 Ca -0.07 0.79 -0.13 0.00 -0.76 0.00 0.00 57.45 57.28 2ckj n PHE 507 Cb 0.23 -1.08 -0.06 0.00 0.35 0.00 0.00 39.48 38.92 2ckj n PHE 507 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2ckj h ARG 508 N 0.00 -0.79 -0.59 -4.13 3.08 -1.01 -2.41 114.38 108.53 2ckj h ARG 508 Ca 0.46 0.05 0.06 0.00 0.07 0.00 0.00 59.98 60.63 2ckj h ARG 508 Cb 1.08 0.18 -0.09 0.00 0.08 0.00 0.00 29.97 31.22 2ckj h ARG 508 CO -0.58 -0.53 -0.55 0.00 -1.07 0.00 0.00 179.97 177.25 2ckj h THR 510 N -0.25 0.41 -0.09 0.00 2.02 -0.74 0.22 112.91 114.49 2ckj h THR 510 Ca 0.10 0.00 -0.18 0.00 0.77 0.00 0.00 66.41 67.10 2ckj h THR 510 Cb 0.51 0.44 -0.00 0.00 -1.74 0.00 0.00 68.15 67.35 2ckj h THR 510 CO -0.69 0.00 -0.71 0.25 0.37 0.00 0.00 175.52 174.74 2ckj h LEU 511 N 0.00 0.49 0.09 2.58 6.46 -0.74 -2.81 115.31 121.38 2ckj h LEU 511 Ca 0.51 -0.31 0.01 0.00 -0.12 0.00 0.00 57.88 57.96 2ckj h LEU 511 Cb 2.10 -0.14 -0.04 0.00 -0.73 0.00 0.00 40.66 41.84 2ckj h LEU 511 CO -0.01 1.05 -0.47 0.71 -0.62 0.00 0.00 178.44 179.10 2ckj h THR 512 N 0.29 0.00 -0.23 1.05 1.35 -0.40 -2.18 112.91 112.79 2ckj h THR 512 Ca -0.03 0.00 0.06 0.00 -0.55 0.00 0.00 66.41 65.89 2ckj h THR 512 Cb 1.28 0.00 -0.07 0.00 -1.73 0.00 0.00 68.15 67.63 2ckj h THR 512 CO 0.12 0.00 -0.28 -0.07 -0.25 0.00 0.00 175.52 175.04 2ckj h LEU 513 N -0.66 -0.91 -0.45 3.87 3.38 -1.45 -3.18 115.31 115.92 2ckj h LEU 513 Ca -0.00 0.15 -0.04 0.00 0.09 0.00 0.00 57.88 58.08 2ckj h LEU 513 Cb 0.67 0.41 -0.02 0.00 0.09 0.00 0.00 40.66 41.81 2ckj h LEU 513 CO -0.26 -0.31 0.14 0.28 0.09 0.00 0.00 178.44 178.37 2ckj h SER 514 N -0.30 0.66 -0.98 -0.43 0.02 -1.54 0.25 113.55 111.23 2ckj h SER 514 Ca 0.13 -0.21 0.24 0.00 -0.84 0.00 0.00 61.79 61.11 2ckj h SER 514 Cb 0.50 -0.17 -0.08 0.00 0.14 0.00 0.00 62.40 62.79 2ckj h SER 514 CO -0.40 0.70 0.65 -0.26 -1.14 0.00 0.00 176.83 176.37 2ckj h PHE 515 N 0.59 0.54 -0.15 3.45 0.05 -1.38 0.51 116.94 120.55 2ckj h PHE 515 Ca 0.14 0.02 -0.13 0.00 3.82 0.00 0.00 57.97 61.82 2ckj h PHE 515 Cb 0.27 -0.16 0.00 0.00 2.00 0.00 0.00 35.95 38.07 2ckj h PHE 515 CO 0.01 0.09 -0.43 0.35 -0.18 0.00 0.00 178.31 178.16 2ckj h PHE 516 N 0.36 0.72 0.10 -0.55 3.57 -0.55 -1.20 116.94 119.40 2ckj h PHE 516 Ca 0.53 -0.28 0.01 0.00 3.53 0.00 0.00 57.97 61.76 2ckj h PHE 516 Cb 1.41 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 40.00 2ckj h PHE 516 CO -0.00 1.04 -0.18 0.35 -2.23 0.00 0.00 178.31 177.29 2ckj h PHE 517 N 0.19 -0.46 -0.97 0.41 3.04 -0.34 1.23 116.94 120.04 2ckj h PHE 517 Ca -0.01 0.01 0.24 0.00 3.98 0.00 0.00 57.97 62.18 2ckj h PHE 517 Cb 1.05 0.19 -0.12 0.00 2.56 0.00 0.00 35.95 39.62 2ckj h PHE 517 CO 0.10 -0.26 0.54 0.87 -2.02 0.00 0.00 178.31 177.54 2ckj h LYS 518 N -0.35 0.52 0.07 1.11 1.57 -0.06 -1.56 116.57 117.87 2ckj h LYS 518 Ca 0.02 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2ckj h LYS 518 Cb 0.36 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.55 2ckj h LYS 518 CO -0.10 0.35 -0.03 0.35 -0.57 0.00 0.00 179.45 179.45 2ckj h PHE 519 N 0.54 -0.08 -0.37 -1.35 3.57 0.28 -3.11 116.94 116.42 2ckj h PHE 519 Ca 0.62 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 62.19 2ckj h PHE 519 Cb 1.17 0.03 -0.09 0.00 2.79 0.00 0.00 35.95 39.85 2ckj h PHE 519 CO -0.04 0.39 -0.41 -0.92 -2.23 0.00 0.00 178.31 175.10 2ckj h TYR 520 N -0.59 -1.18 -0.40 0.41 -0.00 0.16 -1.11 116.97 114.25 2ckj h TYR 520 Ca -0.01 0.06 0.08 0.00 -0.00 0.00 0.00 58.73 58.87 2ckj h TYR 520 Cb 0.51 0.57 -0.09 0.00 -0.00 0.00 0.00 36.73 37.72 2ckj h TYR 520 CO 0.09 -0.44 -0.23 -0.07 -0.00 0.00 0.00 178.16 177.51 2ckj h LEU 521 N -0.33 -0.78 -0.02 2.82 3.38 -1.36 -2.70 115.31 116.32 2ckj h LEU 521 Ca 0.14 0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.27 2ckj h LEU 521 Cb 0.58 0.40 0.00 0.00 0.09 0.00 0.00 40.66 41.73 2ckj h LEU 521 CO -0.55 -0.26 -0.13 0.35 0.09 0.00 0.00 178.44 177.95 2ckj n THR 522 N -5.39 0.00 0.00 0.22 -2.24 -0.92 -1.15 114.28 104.80 2ckj n THR 522 Ca 0.02 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 2ckj n THR 522 Cb 0.30 -0.29 0.00 0.00 -2.10 0.00 0.00 70.33 68.24 2ckj n THR 522 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2ckj n VAL 523 N -1.44 0.00 0.00 2.28 0.31 -0.47 -3.35 118.33 115.66 2ckj n VAL 523 Ca 0.08 0.27 0.00 0.00 -0.01 0.00 0.00 64.34 64.68 2ckj n VAL 523 Cb 0.33 -1.27 0.00 0.00 -0.91 0.00 0.00 33.84 31.99 2ckj n VAL 523 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 2ckj n LEU 524 N 0.00 0.00 0.23 7.52 0.00 -1.22 0.41 117.00 123.94 2ckj n LEU 524 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.01 2ckj n LEU 524 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.42 2ckj n LEU 524 CO 0.00 0.00 0.72 1.67 0.00 0.00 0.00 177.39 179.78 2ckj n GLN 525 N 0.00 0.02 -2.07 1.96 -0.06 -0.30 -2.19 117.38 114.74 2ckj n GLN 525 Ca 0.00 0.67 -0.34 0.00 -2.00 0.00 0.00 57.00 55.32 2ckj n GLN 525 Cb 0.00 -1.88 0.03 0.00 -4.06 0.00 0.00 30.24 24.33 2ckj n GLN 525 CO 0.00 0.00 0.00 1.17 -0.20 0.00 0.00 177.06 178.03 2ckj n LYS 526 N -1.91 3.04 0.00 3.69 0.00 1.39 -4.92 118.16 119.44 2ckj n LYS 526 Ca 0.00 -3.89 0.00 0.00 0.00 0.00 0.00 58.31 54.42 2ckj n LYS 526 Cb 0.72 -2.27 0.00 0.00 0.00 0.00 0.00 35.03 33.48 2ckj n LYS 526 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2ckj n LEU 527 N -0.56 0.00 -1.70 3.14 4.32 -0.93 -4.97 117.00 116.29 2ckj n LEU 527 Ca 0.49 0.00 -0.03 0.00 -0.02 0.00 0.00 56.01 56.44 2ckj n LEU 527 Cb 0.46 0.00 -0.05 0.00 -1.62 0.00 0.00 43.42 42.21 2ckj n LEU 527 CO 0.46 0.00 1.10 0.61 -1.22 0.00 0.00 177.39 178.35 2ckj n GLY 528 N 0.00 2.48 0.00 -0.72 0.00 -1.26 -4.86 105.19 100.82 2ckj n GLY 528 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.67 2ckj n GLY 528 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2ckj n GLN 529 N 1.86 0.00 -1.29 1.61 0.00 -1.16 -5.04 117.38 113.37 2ckj n GLN 529 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.12 2ckj n GLN 529 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.82 2ckj n GLN 529 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 2ckj n GLU 530 N 0.00 -2.37 -3.31 3.69 4.71 -1.26 -3.47 120.64 118.63 2ckj n GLU 530 Ca 0.00 1.97 -0.24 0.00 -0.01 0.00 0.00 57.16 58.89 2ckj n GLU 530 Cb 0.00 -1.98 -0.09 0.00 -1.01 0.00 0.00 31.44 28.37 2ckj n GLU 530 CO 0.00 0.00 0.00 1.21 0.09 0.00 0.00 177.13 178.43 2ckj s ASN 531 N -0.23 1.08 -0.23 1.62 3.04 -1.26 -4.73 114.94 114.23 2ckj s ASN 531 Ca 0.00 -2.79 -0.08 0.00 0.04 0.00 0.00 52.86 50.03 2ckj s ASN 531 Cb 0.00 -0.07 -0.05 0.00 -1.54 0.00 0.00 41.25 39.58 2ckj s ASN 531 CO 0.00 -0.16 0.63 0.18 -3.04 0.00 0.00 177.10 174.70 2ckj n LEU 532 N 2.97 0.08 -1.93 3.21 4.77 -1.26 -4.38 117.00 120.45 2ckj n LEU 532 Ca 0.27 0.05 -0.23 0.00 -0.03 0.00 0.00 56.01 56.07 2ckj n LEU 532 Cb 0.48 -0.22 0.09 0.00 -2.33 0.00 0.00 43.42 41.45 2ckj n LEU 532 CO 0.07 -0.17 0.78 -0.62 -1.33 0.00 0.00 177.39 176.12 2ckj n GLU 533 N 1.99 2.80 0.00 3.23 -0.58 -1.26 -4.91 120.64 121.91 2ckj n GLU 533 Ca 0.15 -3.58 0.00 0.00 -0.42 0.00 0.00 57.16 53.31 2ckj n GLU 533 Cb 0.01 -2.16 0.00 0.00 -0.57 0.00 0.00 31.44 28.71 2ckj n GLU 533 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 2ckj n ASP 534 N -0.91 0.00 0.00 1.62 2.03 -1.26 -5.15 116.55 112.89 2ckj n ASP 534 Ca 0.49 0.00 0.05 0.00 0.52 0.00 0.00 54.79 55.84 2ckj n ASP 534 Cb 0.92 0.00 0.25 0.00 -0.72 0.00 0.00 41.12 41.57 2ckj n ASP 534 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 2ckj n LYS 535 N -0.30 0.13 -1.55 -0.67 4.81 -1.26 -4.95 118.16 114.37 2ckj n LYS 535 Ca 0.00 0.20 0.00 0.00 -0.87 0.00 0.00 58.31 57.64 2ckj n LYS 535 Cb 0.00 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 33.55 2ckj n LYS 535 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2ckj n GLY 537 N 1.81 2.61 0.24 0.00 0.00 -1.26 -5.05 105.19 103.55 2ckj n GLY 537 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.76 2ckj n GLY 537 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2ckj n LYS 538 N 0.00 0.00 -1.43 1.61 5.02 -1.26 -4.60 118.16 117.50 2ckj n LYS 538 Ca 0.00 0.15 -0.34 0.00 -2.02 0.00 0.00 58.31 56.10 2ckj n LYS 538 Cb 0.00 -0.09 0.07 0.00 -0.02 0.00 0.00 35.03 34.99 2ckj n LYS 538 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2ckj n LEU 539 N 0.00 7.40 0.00 -0.35 4.32 -1.26 -4.89 117.00 122.23 2ckj n LEU 539 Ca 0.00 -4.36 0.00 0.00 -0.02 0.00 0.00 56.01 51.63 2ckj n LEU 539 Cb 0.00 -0.91 0.00 0.00 -1.62 0.00 0.00 43.42 40.89 2ckj n LEU 539 CO 0.00 1.55 0.00 0.47 -1.22 0.00 0.00 177.39 178.19 2ckj n ASP 540 N -0.88 0.00 -0.01 -1.43 8.00 -1.26 -5.00 116.55 115.97 2ckj n ASP 540 Ca 0.61 0.00 0.00 0.00 0.71 0.00 0.00 54.79 56.11 2ckj n ASP 540 Cb 0.68 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.78 2ckj n ASP 540 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 2ckj n PRO 541 N 0.00 0.00 -0.06 -0.24 -0.02 -1.26 -5.02 135.00 128.40 2ckj n PRO 541 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2ckj n PRO 541 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 2ckj n PRO 541 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 2ckj n THR 542 N 0.00 0.00 -3.87 3.45 -1.04 -1.26 -4.94 114.28 106.62 2ckj n THR 542 Ca 0.00 0.00 -0.36 0.00 -2.04 0.00 0.00 64.05 61.65 2ckj n THR 542 Cb 0.00 0.00 -0.12 0.00 -1.82 0.00 0.00 70.33 68.39 2ckj n THR 542 CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 2ckj s PHE 543 N 0.00 3.12 -0.15 -1.42 2.19 -1.26 -5.07 117.98 115.39 2ckj s PHE 543 Ca 0.00 -0.27 -0.11 0.00 0.33 0.00 0.00 56.93 56.87 2ckj s PHE 543 Cb 0.00 -2.18 -0.04 0.00 -1.31 0.00 0.00 43.02 39.49 2ckj s PHE 543 CO 0.00 -0.20 -0.20 0.00 1.83 0.00 0.00 175.22 176.65 2ckj n ALA 544 N 4.48 0.55 -0.47 11.12 0.00 -1.26 -5.07 120.51 129.86 2ckj n ALA 544 Ca -0.16 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.77 2ckj n ALA 544 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 2ckj n ALA 544 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2ckj n SER 545 N -4.58 0.00 0.06 0.00 2.88 -1.26 -4.52 113.62 106.21 2ckj n SER 545 Ca -0.10 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.36 2ckj n SER 545 Cb 0.33 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.74 2ckj n SER 545 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2ckj h ALA 546 N -1.42 -0.25 -4.65 -1.46 0.00 -2.02 -3.56 119.26 105.91 2ckj h ALA 546 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2ckj h ALA 546 Cb 0.00 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 2ckj h ALA 546 CO 0.00 -0.27 -0.99 2.41 0.00 0.00 0.00 179.25 180.40 2ckj n THR 547 N -4.93-10.38 -3.60 0.00 -1.04 -1.26 -5.31 114.28 87.76 2ckj n THR 547 Ca -0.06 1.78 -0.29 0.00 -2.04 0.00 0.00 64.05 63.44 2ckj n THR 547 Cb 0.21 -6.19 -0.12 0.00 -1.82 0.00 0.00 70.33 62.41 2ckj n THR 547 CO 0.00 0.00 0.00 1.51 -0.64 0.00 0.00 175.07 175.94 2ckj s ASP 557 N -0.99 3.20 0.20 8.00 1.47 -1.26 -5.30 116.67 121.99 2ckj s ASP 557 Ca -0.09 -2.60 0.09 0.00 1.18 0.00 0.00 52.55 51.13 2ckj s ASP 557 Cb 0.01 -0.78 -0.04 0.00 -0.34 0.00 0.00 42.92 41.77 2ckj s ASP 557 CO 0.63 -0.26 -0.06 0.54 0.68 0.00 0.00 175.17 176.70 2ckj s VAL 558 N 0.46 3.31 -0.09 2.11 0.11 -1.25 -4.75 120.40 120.29 2ckj s VAL 558 Ca 0.20 -1.71 -0.04 0.00 -2.93 0.00 0.00 61.98 57.50 2ckj s VAL 558 Cb -0.19 -2.68 0.05 0.00 -1.53 0.00 0.00 36.38 32.03 2ckj s VAL 558 CO -0.03 -0.18 0.21 -1.10 -3.33 0.00 0.00 175.10 170.67 2ckj s GLN 559 N -3.06 0.16 0.12 1.54 1.11 -1.26 -2.33 119.66 115.94 2ckj s GLN 559 Ca 0.27 0.50 -0.05 0.00 0.01 0.00 0.00 55.36 56.08 2ckj s GLN 559 Cb -0.08 -0.14 -0.02 0.00 -1.01 0.00 0.00 33.01 31.76 2ckj s GLN 559 CO 0.17 -0.18 0.15 -0.48 0.01 0.00 0.00 175.29 174.96 2ckj s LEU 560 N 1.34 1.55 0.00 2.90 0.05 0.06 -4.99 118.68 119.60 2ckj s LEU 560 Ca -0.08 -0.93 0.00 0.00 0.05 0.00 0.00 54.13 53.17 2ckj s LEU 560 Cb -0.11 0.75 0.00 0.00 -2.05 0.00 0.00 46.19 44.78 2ckj s LEU 560 CO -0.08 -0.76 0.00 2.22 -0.55 0.00 0.00 176.35 177.18 2ckj n PHE 561 N -0.09 -0.31 -4.86 3.48 -0.00 -1.26 -1.80 117.46 112.62 2ckj n PHE 561 Ca -0.10 0.00 -0.31 0.00 -0.00 0.00 0.00 57.45 57.04 2ckj n PHE 561 Cb 0.63 0.00 -0.14 0.00 -0.00 0.00 0.00 39.48 39.97 2ckj n PHE 561 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.76 175.62 2ckj s GLN 562 N -0.28 2.05 0.52 3.97 0.74 -1.26 -4.91 119.66 120.49 2ckj s GLN 562 Ca 0.00 -0.98 -0.20 0.00 0.05 0.00 0.00 55.36 54.23 2ckj s GLN 562 Cb 0.00 -2.13 -0.07 0.00 1.10 0.00 0.00 33.01 31.91 2ckj s GLN 562 CO 0.00 0.54 1.08 -2.00 -0.55 0.00 0.00 175.29 174.36 2ckj s GLU 563 N -1.18 3.58 0.09 1.67 2.56 -1.26 -5.04 118.70 119.13 2ckj s GLU 563 Ca 0.13 1.46 -0.30 0.00 0.00 0.00 0.00 54.97 56.25 2ckj s GLU 563 Cb -0.10 -2.05 -0.06 0.00 2.00 0.00 0.00 34.13 33.92 2ckj s GLU 563 CO 0.03 -0.63 1.04 0.14 -0.56 0.00 0.00 175.26 175.28 2ckj s VAL 564 N -1.92 4.34 0.00 3.70 -7.23 -1.26 -4.95 120.40 113.09 2ckj s VAL 564 Ca 0.69 1.85 0.00 0.00 -1.81 0.00 0.00 61.98 62.71 2ckj s VAL 564 Cb -0.19 -4.18 0.00 0.00 0.56 0.00 0.00 36.38 32.56 2ckj s VAL 564 CO 0.24 0.24 0.00 -2.65 -0.31 0.00 0.00 175.10 172.61 2ckj n PRO 565 N 3.14 0.00 -0.36 4.82 -0.02 -1.26 -4.83 135.00 136.50 2ckj n PRO 565 Ca 0.04 0.00 0.03 0.00 -2.02 0.00 0.00 63.50 61.55 2ckj n PRO 565 Cb 0.48 0.00 0.09 0.00 -0.02 0.00 0.00 33.50 34.05 2ckj n PRO 565 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2ckj n LYS 566 N 0.00 -0.15 -0.33 -0.52 4.76 -1.26 -3.06 118.16 117.60 2ckj n LYS 566 Ca 0.00 1.48 -0.04 0.00 -2.87 0.00 0.00 58.31 56.88 2ckj n LYS 566 Cb 0.00 -2.21 0.01 0.00 -1.84 0.00 0.00 35.03 31.00 2ckj n LYS 566 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 2ckj h GLY 567 N 0.00 -0.11 -2.08 0.72 0.00 -2.04 -3.48 103.07 96.07 2ckj h GLY 567 Ca 0.40 0.53 -0.48 0.00 0.00 0.00 0.00 47.33 47.79 2ckj h GLY 567 CO -0.97 -0.18 0.39 -0.86 0.00 0.00 0.00 176.54 174.93 2ckj s GLN 568 N -5.90 3.74 0.72 4.80 -2.07 -1.17 -4.97 119.66 114.80 2ckj s GLN 568 Ca -0.14 1.40 -0.15 0.00 -1.82 0.00 0.00 55.36 54.66 2ckj s GLN 568 Cb 0.18 -2.09 0.03 0.00 -1.09 0.00 0.00 33.01 30.04 2ckj s GLN 568 CO 0.69 -0.49 1.18 0.45 -1.32 0.00 0.00 175.29 175.80 2ckj s SER 569 N -1.94 4.40 0.63 12.60 0.15 -1.26 -4.90 113.70 123.38 2ckj s SER 569 Ca 0.68 2.26 0.40 0.00 0.70 0.00 0.00 55.95 59.99 2ckj s SER 569 Cb -0.18 -2.58 2.17 0.00 -1.71 0.00 0.00 66.02 63.73 2ckj s SER 569 CO 0.21 -2.12 2.30 -0.33 1.20 0.00 0.00 173.24 174.50 2ckj h GLU 570 N -0.25 0.00 -0.01 5.44 4.39 -2.01 -3.03 114.58 119.11 2ckj h GLU 570 Ca -0.47 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.23 2ckj h GLU 570 Cb 1.28 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.93 2ckj h GLU 570 CO 0.51 0.01 0.00 -0.85 -1.16 0.00 0.00 179.01 177.51 2ckj n GLU 571 N -3.27 -0.03 -2.93 2.33 0.28 -1.26 -4.86 120.64 110.90 2ckj n GLU 571 Ca -0.03 -0.81 -0.42 0.00 -0.16 0.00 0.00 57.16 55.75 2ckj n GLU 571 Cb 0.10 -1.04 -0.05 0.00 1.43 0.00 0.00 31.44 31.88 2ckj n GLU 571 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 2ckj s ASP 572 N -0.33 6.69 0.00 -1.84 2.15 -1.15 -4.47 116.67 117.73 2ckj s ASP 572 Ca 0.03 0.72 0.16 0.00 0.43 0.00 0.00 52.55 53.89 2ckj s ASP 572 Cb 0.02 -2.41 0.21 0.00 -0.30 0.00 0.00 42.92 40.44 2ckj s ASP 572 CO 0.03 -0.60 1.11 0.23 -0.17 0.00 0.00 175.17 175.76 2ckj n MET 573 N 6.19 1.67 -2.56 4.34 2.81 -1.26 -4.76 117.12 123.56 2ckj n MET 573 Ca 0.04 -1.69 -0.42 0.00 -1.81 0.00 0.00 57.70 53.82 2ckj n MET 573 Cb 0.48 -1.33 -0.03 0.00 -0.71 0.00 0.00 33.22 31.63 2ckj n MET 573 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 2ckj s VAL 574 N -1.24 4.34 0.00 2.03 1.01 -1.26 -2.38 120.40 122.90 2ckj s VAL 574 Ca 0.23 1.73 0.00 0.00 0.00 0.00 0.00 61.98 63.94 2ckj s VAL 574 Cb 0.14 -4.11 0.00 0.00 0.00 0.00 0.00 36.38 32.41 2ckj s VAL 574 CO 0.21 0.16 0.00 0.61 0.00 0.00 0.00 175.10 176.08 2ckj n GLY 575 N 2.89 3.11 3.81 4.51 0.00 0.15 -5.00 105.19 114.66 2ckj n GLY 575 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 2ckj n GLY 575 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ckj s ARG 576 N -0.58 4.27 -1.47 1.61 0.52 -1.00 -4.56 118.95 117.74 2ckj s ARG 576 Ca 0.00 1.16 -0.09 0.00 -0.52 0.00 0.00 55.73 56.28 2ckj s ARG 576 Cb 0.00 -2.27 -0.08 0.00 0.52 0.00 0.00 34.95 33.12 2ckj s ARG 576 CO 0.00 0.00 2.76 -0.35 0.02 0.00 0.00 175.30 177.73 2ckj n PRO 577 N -0.46 3.33 -3.12 3.54 -0.04 -1.26 -4.41 135.00 132.58 2ckj n PRO 577 Ca 0.06 -2.05 -0.39 0.00 -0.04 0.00 0.00 63.50 61.08 2ckj n PRO 577 Cb 0.53 -2.74 -0.05 0.00 -0.04 0.00 0.00 33.50 31.20 2ckj n PRO 577 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2ckj s LEU 578 N 0.22 4.27 0.35 1.53 2.96 -1.26 -4.82 118.68 121.93 2ckj s LEU 578 Ca 0.63 1.03 -0.28 0.00 -0.22 0.00 0.00 54.13 55.28 2ckj s LEU 578 Cb 0.16 -2.95 -0.10 0.00 0.50 0.00 0.00 46.19 43.79 2ckj s LEU 578 CO -0.05 -0.13 1.36 -2.16 -1.32 0.00 0.00 176.35 174.05 2ckj s PRO 579 N 1.02 4.24 -0.24 0.98 0.04 -1.26 -4.80 135.00 134.98 2ckj s PRO 579 Ca 0.33 2.33 -0.21 0.00 0.04 0.00 0.00 61.00 63.48 2ckj s PRO 579 Cb -0.17 -3.01 -0.09 0.00 0.04 0.00 0.00 34.50 31.27 2ckj s PRO 579 CO 0.14 -0.32 0.97 1.58 0.04 0.00 0.00 177.00 179.41 2ckj n HIS 580 N 0.63 0.60 0.29 0.56 -0.00 -1.26 -4.75 115.22 111.29 2ckj n HIS 580 Ca 0.01 0.39 0.00 0.00 0.46 0.00 0.00 57.72 58.58 2ckj n HIS 580 Cb 0.41 -1.08 0.00 0.00 -0.12 0.00 0.00 29.99 29.20 2ckj n HIS 580 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 2ckj n LEU 581 N 3.29 0.00 -0.22 0.27 4.77 -1.26 -1.29 117.00 122.56 2ckj n LEU 581 Ca 0.24 0.45 0.07 0.00 -0.03 0.00 0.00 56.01 56.74 2ckj n LEU 581 Cb -0.02 0.00 0.11 0.00 -2.33 0.00 0.00 43.42 41.18 2ckj n LEU 581 CO 0.42 -0.45 0.48 0.00 -1.33 0.00 0.00 177.39 176.51 2ckj n ALA 582 N -1.40 2.29 0.23 -1.18 0.00 -1.26 -4.83 120.51 114.35 2ckj n ALA 582 Ca 0.00 -2.31 0.12 0.00 0.00 0.00 0.00 53.44 51.24 2ckj n ALA 582 Cb 0.90 -0.41 0.36 0.00 0.00 0.00 0.00 19.45 20.30 2ckj n ALA 582 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ckj h ALA 583 N 0.08 0.96 0.02 0.00 0.00 -1.53 -1.78 119.26 117.01 2ckj h ALA 583 Ca -0.00 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 2ckj h ALA 583 Cb 1.10 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2ckj h ALA 583 CO 0.00 0.16 -0.01 -0.44 0.00 0.00 0.00 179.25 178.97 2ckj h ASP 584 N 0.00 -0.02 0.15 0.00 3.32 -1.88 -2.45 116.42 115.54 2ckj h ASP 584 Ca -0.00 -0.51 -0.04 0.00 0.02 0.00 0.00 57.03 56.50 2ckj h ASP 584 Cb 0.86 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.41 2ckj h ASP 584 CO 0.02 0.50 -0.17 0.24 -1.72 0.00 0.00 179.24 178.11 2ckj h MET 585 N -0.55 0.05 -0.40 3.56 2.86 -1.92 -1.17 114.93 117.37 2ckj h MET 585 Ca -0.00 -0.01 -0.14 0.00 -2.06 0.00 0.00 59.70 57.49 2ckj h MET 585 Cb 0.52 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.17 2ckj h MET 585 CO 0.00 0.23 -0.30 1.96 1.06 0.00 0.00 176.91 179.87 2ckj h GLN 586 N 0.05 0.88 -0.00 1.72 4.20 -1.30 -1.67 115.11 118.99 2ckj h GLN 586 Ca 0.01 -0.41 0.00 0.00 0.06 0.00 0.00 58.65 58.31 2ckj h GLN 586 Cb 0.34 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.11 2ckj h GLN 586 CO 0.02 1.06 -0.03 0.00 -0.67 0.00 0.00 178.83 179.21 2ckj n ALA 587 N -2.52 2.56 0.07 3.87 0.00 -0.52 -3.46 120.51 120.51 2ckj n ALA 587 Ca -0.01 -0.17 0.04 0.00 0.00 0.00 0.00 53.44 53.30 2ckj n ALA 587 Cb 0.49 -1.45 0.07 0.00 0.00 0.00 0.00 19.45 18.56 2ckj n ALA 587 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2ckj n SER 588 N -1.22 2.19 0.00 0.00 3.41 -0.73 -4.74 113.62 112.52 2ckj n SER 588 Ca 0.14 -1.70 0.00 0.00 -0.26 0.00 0.00 58.87 57.05 2ckj n SER 588 Cb 0.25 -0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.11 2ckj n SER 588 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ckj n GLY 589 N 0.29 3.09 0.16 5.00 0.00 -1.21 -4.49 105.19 108.03 2ckj n GLY 589 Ca 0.06 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.89 2ckj n GLY 589 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2ckj h GLU 590 N 1.37 0.54 0.00 1.61 4.11 -1.61 -3.44 114.58 117.17 2ckj h GLU 590 Ca 0.00 -0.63 0.00 0.00 0.07 0.00 0.00 59.36 58.80 2ckj h GLU 590 Cb 0.00 0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.44 2ckj h GLU 590 CO 0.00 1.25 0.00 0.00 0.07 0.00 0.00 179.01 180.33 2ckj n ALA 591 N -2.64 0.00 -2.80 1.06 0.00 -0.95 -4.93 120.51 110.26 2ckj n ALA 591 Ca -0.12 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 52.97 2ckj n ALA 591 Cb 0.82 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 20.19 2ckj n ALA 591 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2ckj s VAL 592 N 0.00 4.95 0.00 0.00 1.01 -1.26 -4.92 120.40 120.18 2ckj s VAL 592 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 61.98 61.99 2ckj s VAL 592 Cb 0.00 -3.18 0.00 0.00 0.00 0.00 0.00 36.38 33.20 2ckj s VAL 592 CO 0.00 0.54 0.00 -1.22 0.00 0.00 0.00 175.10 174.42 2ckj n TYR 593 N 2.76 0.00 0.03 5.22 4.01 -1.26 -4.84 117.16 123.09 2ckj n TYR 593 Ca -0.18 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.56 2ckj n TYR 593 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.56 2ckj n TYR 593 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2ckj n ASP 595 N -2.90 0.00 -0.02 0.00 2.03 -1.26 -2.99 116.55 111.41 2ckj n ASP 595 Ca 0.00 0.00 -0.22 0.00 0.52 0.00 0.00 54.79 55.09 2ckj n ASP 595 Cb 0.00 0.00 -0.13 0.00 -0.72 0.00 0.00 41.12 40.27 2ckj n ASP 595 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2ckj n ASP 596 N -0.61 2.06 -4.62 1.67 8.00 -1.26 -4.76 116.55 117.03 2ckj n ASP 596 Ca 0.00 0.26 -0.65 0.00 0.71 0.00 0.00 54.79 55.12 2ckj n ASP 596 Cb 0.00 -0.89 -0.09 0.00 -0.02 0.00 0.00 41.12 40.11 2ckj n ASP 596 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 2ckj n ILE 597 N -3.73 0.00 -1.53 0.53 2.08 -1.16 -4.91 119.36 110.64 2ckj n ILE 597 Ca -0.32 0.00 -0.56 0.00 0.56 0.00 0.00 62.75 62.42 2ckj n ILE 597 Cb 0.96 -0.34 -0.07 0.00 -0.75 0.00 0.00 39.64 39.43 2ckj n ILE 597 CO 0.00 0.00 0.00 -2.65 0.56 0.00 0.00 176.55 174.46 2ckj n PRO 598 N 3.21 0.43 -1.77 0.38 -0.02 -1.26 -5.01 135.00 130.96 2ckj n PRO 598 Ca 0.27 0.16 -0.41 0.00 -2.02 0.00 0.00 63.50 61.50 2ckj n PRO 598 Cb -0.02 -1.71 -0.00 0.00 -0.02 0.00 0.00 33.50 31.75 2ckj n PRO 598 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 2ckj n ARG 599 N 1.89 2.66 -2.18 -0.52 0.63 -1.26 -4.97 116.66 112.91 2ckj n ARG 599 Ca 0.19 0.93 -0.26 0.00 -0.92 0.00 0.00 57.85 57.79 2ckj n ARG 599 Cb 0.12 -2.67 0.09 0.00 0.45 0.00 0.00 32.46 30.45 2ckj n ARG 599 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 2ckj s TYR 600 N -0.93 2.65 -0.95 -0.14 1.51 -1.26 -4.94 117.35 113.30 2ckj s TYR 600 Ca 0.55 0.39 0.19 0.00 -1.01 0.00 0.00 57.07 57.19 2ckj s TYR 600 Cb -0.48 -3.31 0.79 0.00 -0.11 0.00 0.00 41.96 38.84 2ckj s TYR 600 CO 0.61 -1.61 1.59 -1.91 -1.11 0.00 0.00 175.55 173.13 2ckj n GLU 601 N -3.04 0.02 -1.41 -0.62 2.13 -1.26 -3.02 120.64 113.44 2ckj n GLU 601 Ca 0.09 0.21 -0.07 0.00 0.66 0.00 0.00 57.16 58.06 2ckj n GLU 601 Cb 0.60 -1.54 0.11 0.00 0.27 0.00 0.00 31.44 30.88 2ckj n GLU 601 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 2ckj n ASN 602 N -1.59 2.94 -4.74 4.31 6.94 -1.26 -5.09 115.26 116.77 2ckj n ASN 602 Ca 0.04 -3.55 -0.35 0.00 -0.02 0.00 0.00 54.58 50.70 2ckj n ASN 602 Cb 0.22 -0.43 -0.08 0.00 -2.36 0.00 0.00 39.78 37.13 2ckj n ASN 602 CO 0.00 0.00 0.00 -0.70 -1.03 0.00 0.00 177.26 175.53 2ckj s GLU 603 N -3.17 4.13 0.15 -3.83 2.12 -1.17 -4.56 118.70 112.37 2ckj s GLU 603 Ca 0.42 -0.20 -0.05 0.00 0.36 0.00 0.00 54.97 55.50 2ckj s GLU 603 Cb 0.38 -3.40 -0.06 0.00 0.26 0.00 0.00 34.13 31.32 2ckj s GLU 603 CO -0.03 0.34 0.40 -0.51 -0.54 0.00 0.00 175.26 174.92 2ckj s LEU 604 N 0.24 4.26 -0.00 2.70 1.43 -0.42 -4.90 118.68 121.99 2ckj s LEU 604 Ca 0.09 0.64 -0.18 0.00 -1.03 0.00 0.00 54.13 53.65 2ckj s LEU 604 Cb -0.11 -3.35 -0.06 0.00 0.03 0.00 0.00 46.19 42.70 2ckj s LEU 604 CO -0.01 0.04 0.50 -0.44 0.23 0.00 0.00 176.35 176.67 2ckj s SER 605 N -2.41 6.88 0.17 2.29 0.01 -0.21 -1.90 113.70 118.53 2ckj s SER 605 Ca 0.42 1.05 0.02 0.00 1.31 0.00 0.00 55.95 58.74 2ckj s SER 605 Cb -0.12 -2.31 0.02 0.00 0.21 0.00 0.00 66.02 63.82 2ckj s SER 605 CO 0.24 0.21 0.14 -0.11 0.41 0.00 0.00 173.24 174.13 2ckj n LEU 606 N 2.30 0.00 0.00 2.44 0.00 -0.77 -1.48 117.00 119.49 2ckj n LEU 606 Ca -0.10 -0.84 0.00 0.00 0.00 0.00 0.00 56.01 55.07 2ckj n LEU 606 Cb 0.51 -0.03 0.00 0.00 0.00 0.00 0.00 43.42 43.90 2ckj n LEU 606 CO 0.41 -0.39 0.00 -1.14 0.00 0.00 0.00 177.39 176.27 2ckj n ARG 607 N -0.97 0.00 -4.66 1.96 0.63 -1.24 -4.82 116.66 107.56 2ckj n ARG 607 Ca 0.00 0.00 -0.30 0.00 -0.92 0.00 0.00 57.85 56.63 2ckj n ARG 607 Cb 0.19 0.00 -0.13 0.00 0.45 0.00 0.00 32.46 32.97 2ckj n ARG 607 CO 0.00 0.00 0.00 -0.48 -2.51 0.00 0.00 177.63 174.64 2ckj s LEU 608 N 0.00 2.50 -0.18 6.15 2.34 -1.26 -1.64 118.68 126.58 2ckj s LEU 608 Ca 0.00 -0.50 -0.07 0.00 0.06 0.00 0.00 54.13 53.62 2ckj s LEU 608 Cb 0.00 -1.45 -0.04 0.00 -0.56 0.00 0.00 46.19 44.14 2ckj s LEU 608 CO 0.00 0.24 0.05 -0.69 -1.06 0.00 0.00 176.35 174.90 2ckj s VAL 609 N -0.93 4.70 -0.05 1.48 1.01 0.33 -4.94 120.40 122.00 2ckj s VAL 609 Ca 0.14 -0.07 -0.08 0.00 0.00 0.00 0.00 61.98 61.97 2ckj s VAL 609 Cb -0.10 -3.11 0.02 0.00 0.00 0.00 0.00 36.38 33.18 2ckj s VAL 609 CO 0.05 0.46 0.20 0.42 0.00 0.00 0.00 175.10 176.23 2ckj s THR 610 N 0.41 0.03 0.14 3.92 -4.23 -1.26 -2.31 115.64 112.33 2ckj s THR 610 Ca 0.02 -0.24 -0.32 0.00 -1.18 0.00 0.00 61.69 59.97 2ckj s THR 610 Cb -0.13 -0.37 -0.17 0.00 1.34 0.00 0.00 72.50 73.17 2ckj s THR 610 CO 0.01 -0.13 0.84 -0.24 -0.54 0.00 0.00 174.62 174.56 2ckj n SER 611 N 2.39 -0.19 -0.35 3.99 2.88 -0.99 -4.94 113.62 116.40 2ckj n SER 611 Ca -0.16 1.14 0.04 0.00 -1.33 0.00 0.00 58.87 58.56 2ckj n SER 611 Cb 0.57 -1.02 0.07 0.00 -0.75 0.00 0.00 64.21 63.08 2ckj n SER 611 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2ckj n THR 612 N 0.76 0.52 -4.48 2.46 -2.24 -1.26 -4.00 114.28 106.03 2ckj n THR 612 Ca 0.17 -0.76 -0.23 0.00 -2.27 0.00 0.00 64.05 60.96 2ckj n THR 612 Cb 0.20 0.81 -0.11 0.00 -2.10 0.00 0.00 70.33 69.14 2ckj n THR 612 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2ckj s ARG 613 N -0.81 1.69 -0.01 -0.78 1.81 -1.26 -5.05 118.95 114.55 2ckj s ARG 613 Ca 0.12 -1.92 0.16 0.00 -1.72 0.00 0.00 55.73 52.37 2ckj s ARG 613 Cb 0.07 -1.15 -0.19 0.00 -0.45 0.00 0.00 34.95 33.23 2ckj s ARG 613 CO 0.10 -0.08 0.65 0.00 -0.68 0.00 0.00 175.30 175.29 2ckj n ALA 614 N -0.72 1.84 -3.33 2.13 0.00 -1.26 -3.83 120.51 115.34 2ckj n ALA 614 Ca -0.04 -0.70 0.02 0.00 0.00 0.00 0.00 53.44 52.72 2ckj n ALA 614 Cb 0.66 -0.81 -0.04 0.00 0.00 0.00 0.00 19.45 19.26 2ckj n ALA 614 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2ckj s HIS 615 N -2.83 -0.58 -0.10 0.00 5.65 -1.26 -3.24 115.29 112.92 2ckj s HIS 615 Ca -0.05 0.94 -0.31 0.00 0.25 0.00 0.00 55.06 55.89 2ckj s HIS 615 Cb 0.08 0.32 0.12 0.00 -1.18 0.00 0.00 32.58 31.93 2ckj s HIS 615 CO 0.82 -0.30 1.04 0.00 -0.65 0.00 0.00 174.74 175.65 2ckj s ALA 616 N 2.47 -1.94 0.68 1.58 0.00 -1.02 -3.00 121.76 120.52 2ckj s ALA 616 Ca -0.01 1.34 -0.09 0.00 0.00 0.00 0.00 51.96 53.19 2ckj s ALA 616 Cb -0.06 0.00 0.02 0.00 0.00 0.00 0.00 23.12 23.08 2ckj s ALA 616 CO -0.16 -0.59 1.03 0.21 0.00 0.00 0.00 175.76 176.25 2ckj s LYS 617 N -2.51 2.73 -0.25 0.00 2.20 0.19 -1.04 119.74 121.06 2ckj s LYS 617 Ca 0.06 0.19 0.00 0.00 -0.36 0.00 0.00 55.97 55.86 2ckj s LYS 617 Cb -0.01 -2.12 0.07 0.00 -1.51 0.00 0.00 37.83 34.26 2ckj s LYS 617 CO -0.06 -0.99 -0.00 -1.50 -0.36 0.00 0.00 175.35 172.43 2ckj s ILE 618 N -3.24 1.31 -0.02 5.43 2.07 -1.10 -2.49 121.20 123.15 2ckj s ILE 618 Ca 0.57 -1.23 -0.09 0.00 -1.41 0.00 0.00 60.65 58.49 2ckj s ILE 618 Cb -0.11 -1.72 -0.30 0.00 0.13 0.00 0.00 42.46 40.46 2ckj s ILE 618 CO 0.48 -0.25 0.76 0.11 -1.91 0.00 0.00 174.94 174.13 2ckj h LYS 619 N 8.00 0.37 0.00 3.50 1.79 -1.55 -3.47 116.57 125.21 2ckj h LYS 619 Ca -0.16 -0.64 0.00 0.00 -2.18 0.00 0.00 60.65 57.68 2ckj h LYS 619 Cb 1.07 0.24 0.00 0.00 -1.58 0.00 0.00 32.23 31.95 2ckj h LYS 619 CO 0.42 1.28 0.00 -1.13 -1.08 0.00 0.00 179.45 178.93 2ckj n SER 620 N -3.57 0.00 -4.15 0.86 3.41 -1.20 -5.01 113.62 103.96 2ckj n SER 620 Ca -0.21 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.10 2ckj n SER 620 Cb 1.07 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 64.85 2ckj n SER 620 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2ckj s ILE 621 N -2.00 1.72 -0.25 -1.33 1.01 -1.26 -1.66 121.20 117.42 2ckj s ILE 621 Ca 0.00 -0.82 0.02 0.00 0.00 0.00 0.00 60.65 59.85 2ckj s ILE 621 Cb 0.00 -1.50 0.06 0.00 0.01 0.00 0.00 42.46 41.03 2ckj s ILE 621 CO 0.00 0.48 -0.09 -0.62 0.00 0.00 0.00 174.94 174.71 2ckj s ASP 622 N 0.42 4.24 0.00 3.58 -1.08 -0.24 -4.96 116.67 118.62 2ckj s ASP 622 Ca -0.16 -1.32 0.28 0.00 -0.52 0.00 0.00 52.55 50.82 2ckj s ASP 622 Cb -0.17 -1.43 0.99 0.00 -1.46 0.00 0.00 42.92 40.85 2ckj s ASP 622 CO 0.07 -0.20 1.73 1.07 0.52 0.00 0.00 175.17 178.36 2ckj n THR 623 N 4.51 0.00 0.07 1.71 5.66 -1.26 -2.53 114.28 122.44 2ckj n THR 623 Ca -0.13 -0.03 -0.11 0.00 -3.05 0.00 0.00 64.05 60.73 2ckj n THR 623 Cb 0.43 -0.08 -0.13 0.00 -1.55 0.00 0.00 70.33 68.99 2ckj n THR 623 CO 0.00 0.00 0.00 0.77 -3.05 0.00 0.00 175.07 172.79 2ckj h SER 624 N 0.26 0.17 0.87 1.09 4.64 -1.93 -1.95 113.55 116.70 2ckj h SER 624 Ca 0.00 -0.19 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 2ckj h SER 624 Cb 0.45 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 2ckj h SER 624 CO 0.00 1.15 0.00 -0.08 -0.87 0.00 0.00 176.83 177.03 2ckj h GLU 625 N 0.03 0.00 0.20 4.77 4.57 -1.76 -3.19 114.58 119.21 2ckj h GLU 625 Ca -0.10 0.00 -0.34 0.00 -1.18 0.00 0.00 59.36 57.74 2ckj h GLU 625 Cb 1.88 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 30.48 2ckj h GLU 625 CO 0.15 0.00 -1.66 0.00 -1.18 0.00 0.00 179.01 176.32 2ckj h ALA 626 N 2.13 0.08 0.00 2.92 0.00 -1.51 -3.27 119.26 119.62 2ckj h ALA 626 Ca 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 54.91 53.84 2ckj h ALA 626 Cb 0.44 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2ckj h ALA 626 CO 0.00 0.95 0.00 1.63 0.00 0.00 0.00 179.25 181.83 2ckj n LYS 627 N -3.61 0.31 0.08 0.00 5.02 -1.20 0.02 118.16 118.78 2ckj n LYS 627 Ca -0.22 0.05 0.13 0.00 -2.02 0.00 0.00 58.31 56.24 2ckj n LYS 627 Cb 1.08 -1.50 0.33 0.00 -0.02 0.00 0.00 35.03 34.93 2ckj n LYS 627 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2ckj n LYS 628 N -1.07 0.25 -2.62 1.97 5.02 -1.23 -4.92 118.16 115.55 2ckj n LYS 628 Ca 0.08 0.15 -0.41 0.00 -2.02 0.00 0.00 58.31 56.11 2ckj n LYS 628 Cb 0.05 -1.73 -0.05 0.00 -0.02 0.00 0.00 35.03 33.28 2ckj n LYS 628 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2ckj s VAL 629 N -3.11 4.04 -0.26 -0.18 1.01 0.10 -4.95 120.40 117.04 2ckj s VAL 629 Ca 0.09 1.83 -0.39 0.00 0.00 0.00 0.00 61.98 63.51 2ckj s VAL 629 Cb 0.13 -4.16 -0.15 0.00 0.00 0.00 0.00 36.38 32.20 2ckj s VAL 629 CO 0.64 0.35 1.82 -2.65 0.00 0.00 0.00 175.10 175.25 2ckj n PRO 630 N 2.16 1.29 -0.85 2.72 -0.02 -1.26 -1.90 135.00 137.14 2ckj n PRO 630 Ca 0.01 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 2ckj n PRO 630 Cb 0.47 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 2ckj n PRO 630 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ckj n GLY 631 N 4.51 0.85 3.67 -1.23 0.00 -1.26 -4.84 105.19 106.89 2ckj n GLY 631 Ca 0.28 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.85 2ckj n GLY 631 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2ckj n PHE 632 N -2.17 2.11 -0.08 1.61 7.35 -0.80 -3.51 117.46 121.96 2ckj n PHE 632 Ca 0.00 0.47 -0.16 0.00 -0.76 0.00 0.00 57.45 57.00 2ckj n PHE 632 Cb 0.00 -2.44 -0.06 0.00 0.35 0.00 0.00 39.48 37.33 2ckj n PHE 632 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 2ckj n VAL 633 N 1.56 0.92 -3.64 -2.13 0.31 0.14 -4.98 118.33 110.51 2ckj n VAL 633 Ca 0.10 -0.26 -0.03 0.00 -0.01 0.00 0.00 64.34 64.15 2ckj n VAL 633 Cb 0.32 -1.56 -0.04 0.00 -0.91 0.00 0.00 33.84 31.65 2ckj n VAL 633 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2ckj s PHE 635 N -1.35 3.17 -0.01 0.00 5.36 -1.26 -0.75 117.98 123.15 2ckj s PHE 635 Ca 0.09 -0.59 -0.24 0.00 -0.96 0.00 0.00 56.93 55.22 2ckj s PHE 635 Cb -0.01 -2.34 -0.05 0.00 -0.34 0.00 0.00 43.02 40.28 2ckj s PHE 635 CO -0.06 -0.46 0.74 -1.50 -1.46 0.00 0.00 175.22 172.48 2ckj s ILE 636 N 1.61 4.89 0.32 3.12 1.10 -0.38 -4.93 121.20 126.92 2ckj s ILE 636 Ca 0.04 1.55 0.06 0.00 -0.51 0.00 0.00 60.65 61.80 2ckj s ILE 636 Cb -0.17 -4.08 -0.03 0.00 0.15 0.00 0.00 42.46 38.32 2ckj s ILE 636 CO 0.06 0.31 0.26 -0.94 -2.11 0.00 0.00 174.94 172.51 2ckj s SER 637 N 0.36 1.52 0.60 4.50 1.04 -1.26 -1.66 113.70 118.81 2ckj s SER 637 Ca 0.38 -1.71 0.28 0.00 0.48 0.00 0.00 55.95 55.38 2ckj s SER 637 Cb -0.19 0.53 1.41 0.00 0.10 0.00 0.00 66.02 67.87 2ckj s SER 637 CO 0.21 -1.03 1.82 0.00 0.98 0.00 0.00 173.24 175.22 2ckj h ALA 638 N 2.19 2.16 0.00 5.32 0.00 -1.79 0.23 119.26 127.37 2ckj h ALA 638 Ca -0.27 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2ckj h ALA 638 Cb 1.24 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2ckj h ALA 638 CO 0.39 -0.79 0.00 -0.25 0.00 0.00 0.00 179.25 178.60 2ckj n ASP 639 N -3.54 0.00 0.01 0.00 10.43 -1.26 -3.68 116.55 118.50 2ckj n ASP 639 Ca 0.09 -0.40 0.11 0.00 2.57 0.00 0.00 54.79 57.16 2ckj n ASP 639 Cb 0.73 -0.10 -0.13 0.00 1.84 0.00 0.00 41.12 43.46 2ckj n ASP 639 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 2ckj n ASP 640 N -1.10 0.25 -4.68 -2.24 8.00 0.80 -4.96 116.55 112.62 2ckj n ASP 640 Ca 0.13 -0.09 -0.42 0.00 0.71 0.00 0.00 54.79 55.11 2ckj n ASP 640 Cb 0.10 1.63 -0.03 0.00 -0.02 0.00 0.00 41.12 42.80 2ckj n ASP 640 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2ckj s VAL 641 N -3.42 3.43 -0.39 2.53 0.11 -1.24 -4.89 120.40 116.53 2ckj s VAL 641 Ca -0.05 0.76 0.08 0.00 -2.93 0.00 0.00 61.98 59.84 2ckj s VAL 641 Cb 0.14 -3.49 0.60 0.00 -1.53 0.00 0.00 36.38 32.10 2ckj s VAL 641 CO 0.88 -0.02 1.57 -0.81 -3.33 0.00 0.00 175.10 173.39 2ckj n PRO 642 N 6.00 3.27 0.00 1.54 -0.05 -1.26 -4.72 135.00 139.78 2ckj n PRO 642 Ca 0.15 -2.43 0.00 0.00 -0.05 0.00 0.00 63.50 61.18 2ckj n PRO 642 Cb 0.42 -2.04 0.00 0.00 -0.05 0.00 0.00 33.50 31.84 2ckj n PRO 642 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 2ckj n GLY 643 N -0.00 0.10 3.28 0.55 0.00 -1.12 -4.65 105.19 103.35 2ckj n GLY 643 Ca 0.31 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.36 2ckj n GLY 643 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ckj s SER 644 N 1.00 -0.96 0.00 1.61 0.15 -1.22 -4.78 113.70 109.50 2ckj s SER 644 Ca 0.00 0.83 0.25 0.00 0.70 0.00 0.00 55.95 57.73 2ckj s SER 644 Cb 0.00 1.90 1.43 0.00 -1.71 0.00 0.00 66.02 67.63 2ckj s SER 644 CO 0.00 -0.18 1.84 -3.20 1.20 0.00 0.00 173.24 172.90 2ckj n ASN 645 N 5.36 0.00 -4.24 5.45 5.15 -1.26 -4.27 115.26 121.45 2ckj n ASN 645 Ca -0.06 -0.61 -0.37 0.00 -0.60 0.00 0.00 54.58 52.94 2ckj n ASN 645 Cb 0.52 -0.07 -0.13 0.00 -0.53 0.00 0.00 39.78 39.57 2ckj n ASN 645 CO 0.00 0.00 0.00 -0.51 1.40 0.00 0.00 177.26 178.15 2ckj s ILE 646 N -2.13 3.55 0.00 -1.44 2.07 -1.26 -1.43 121.20 120.56 2ckj s ILE 646 Ca 0.34 -1.27 0.00 0.00 -1.41 0.00 0.00 60.65 58.31 2ckj s ILE 646 Cb 0.17 -3.05 0.00 0.00 0.13 0.00 0.00 42.46 39.71 2ckj s ILE 646 CO 0.31 -0.20 0.00 0.41 -1.91 0.00 0.00 174.94 173.54 2ckj n THR 647 N 4.75 0.00 -0.30 4.00 -1.04 -0.77 -4.97 114.28 115.95 2ckj n THR 647 Ca -0.12 0.00 0.04 0.00 -2.04 0.00 0.00 64.05 61.93 2ckj n THR 647 Cb 0.44 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 68.94 2ckj n THR 647 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2ckj n GLY 648 N 3.70 -2.05 0.01 3.41 0.00 -1.26 -2.78 105.19 106.21 2ckj n GLY 648 Ca 0.00 -1.42 0.09 0.00 0.00 0.00 0.00 46.02 44.69 2ckj n GLY 648 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2ckj n ILE 649 N -2.80 0.00 -1.68 -0.61 3.06 -1.26 -3.03 119.36 113.04 2ckj n ILE 649 Ca -0.01 -0.32 -0.20 0.00 -2.50 0.00 0.00 62.75 59.72 2ckj n ILE 649 Cb 0.14 0.34 0.09 0.00 0.54 0.00 0.00 39.64 40.76 2ckj n ILE 649 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2ckj n ASN 651 N -0.90 -1.83 -0.09 0.00 5.03 -1.17 -4.85 115.26 111.45 2ckj n ASN 651 Ca 0.45 0.19 -0.10 0.00 0.87 0.00 0.00 54.58 55.99 2ckj n ASN 651 Cb 0.92 -1.90 -0.02 0.00 -1.02 0.00 0.00 39.78 37.76 2ckj n ASN 651 CO 0.00 0.00 0.00 0.44 -1.83 0.00 0.00 177.26 175.87 2ckj h ASP 652 N 0.00 0.38 -4.83 6.41 3.32 -1.83 -3.46 116.42 116.41 2ckj h ASP 652 Ca -0.14 -0.10 -0.22 0.00 0.02 0.00 0.00 57.03 56.59 2ckj h ASP 652 Cb 0.54 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.99 2ckj h ASP 652 CO 0.19 0.37 -0.06 -1.84 -1.72 0.00 0.00 179.24 176.18 2ckj n GLU 653 N -4.80 0.97 -4.36 3.56 0.28 -1.12 -4.97 120.64 110.20 2ckj n GLU 653 Ca -0.02 -1.36 -0.30 0.00 -0.16 0.00 0.00 57.16 55.32 2ckj n GLU 653 Cb 0.09 0.01 -0.17 0.00 1.43 0.00 0.00 31.44 32.80 2ckj n GLU 653 CO 0.00 0.00 0.00 0.95 -0.16 0.00 0.00 177.13 177.92 2ckj s THR 654 N -0.77 1.68 0.20 3.84 -4.23 -1.26 -1.84 115.64 113.25 2ckj s THR 654 Ca 0.20 -0.74 -0.14 0.00 -1.18 0.00 0.00 61.69 59.83 2ckj s THR 654 Cb -0.02 -1.53 0.19 0.00 1.34 0.00 0.00 72.50 72.49 2ckj s THR 654 CO 0.13 0.48 1.64 0.58 -0.54 0.00 0.00 174.62 176.90 2ckj h VAL 655 N 5.95 0.44 -3.90 2.29 2.07 -1.60 -3.37 116.25 118.14 2ckj h VAL 655 Ca -0.34 -0.00 -0.62 0.00 0.82 0.00 0.00 66.70 66.56 2ckj h VAL 655 Cb 1.17 0.43 -0.31 0.00 -1.52 0.00 0.00 31.29 31.05 2ckj h VAL 655 CO 0.53 0.00 -0.86 -0.36 0.02 0.00 0.00 177.57 176.90 2ckj s PHE 656 N -6.23 2.03 0.25 1.57 2.99 -1.26 -4.93 117.98 112.40 2ckj s PHE 656 Ca -0.14 -0.61 -0.30 0.00 0.00 0.00 0.00 56.93 55.88 2ckj s PHE 656 Cb 0.18 -1.35 -0.14 0.00 0.00 0.00 0.00 43.02 41.70 2ckj s PHE 656 CO 0.73 -0.20 1.11 0.00 -0.00 0.00 0.00 175.22 176.86 2ckj n ALA 657 N 3.11 -0.20 -3.84 5.36 0.00 -0.04 -4.72 120.51 120.19 2ckj n ALA 657 Ca -0.18 0.41 -0.33 0.00 0.00 0.00 0.00 53.44 53.34 2ckj n ALA 657 Cb 0.53 -2.06 -0.16 0.00 0.00 0.00 0.00 19.45 17.76 2ckj n ALA 657 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2ckj s LYS 658 N -1.06 3.06 0.00 0.00 2.20 -1.26 -4.49 119.74 118.19 2ckj s LYS 658 Ca 0.64 -0.81 0.00 0.00 -0.36 0.00 0.00 55.97 55.44 2ckj s LYS 658 Cb -0.74 -2.57 0.00 0.00 -1.51 0.00 0.00 37.83 33.01 2ckj s LYS 658 CO 0.56 -0.12 0.00 -0.25 -0.36 0.00 0.00 175.35 175.19 2ckj n ASP 659 N 4.39 0.00 -3.64 1.43 8.00 -1.26 -4.87 116.55 120.60 2ckj n ASP 659 Ca -0.20 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.15 2ckj n ASP 659 Cb 0.51 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.53 2ckj n ASP 659 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 2ckj s LYS 660 N 0.00 0.81 -0.08 -1.24 -2.85 -1.26 -2.73 119.74 112.39 2ckj s LYS 660 Ca 0.00 0.44 -0.04 0.00 -1.00 0.00 0.00 55.97 55.38 2ckj s LYS 660 Cb 0.00 0.38 -0.04 0.00 -2.06 0.00 0.00 37.83 36.12 2ckj s LYS 660 CO 0.00 -0.19 0.07 0.14 0.10 0.00 0.00 175.35 175.48 2ckj s VAL 661 N -0.50 4.88 -0.02 1.79 -7.23 -0.21 -4.97 120.40 114.15 2ckj s VAL 661 Ca -0.06 -0.09 0.06 0.00 -1.81 0.00 0.00 61.98 60.07 2ckj s VAL 661 Cb -0.03 -3.12 -0.09 0.00 0.56 0.00 0.00 36.38 33.70 2ckj s VAL 661 CO 0.05 0.56 0.10 0.35 -0.31 0.00 0.00 175.10 175.85 2ckj n THR 662 N 1.88 0.10 -4.30 5.32 -2.24 -1.26 -2.44 114.28 111.34 2ckj n THR 662 Ca -0.18 -0.16 -0.16 0.00 -2.27 0.00 0.00 64.05 61.28 2ckj n THR 662 Cb 0.54 0.05 -0.05 0.00 -2.10 0.00 0.00 70.33 68.78 2ckj n THR 662 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2ckj n VAL 664 N -0.56 2.20 0.00 0.00 0.31 -1.25 -4.47 118.33 114.56 2ckj n VAL 664 Ca -0.02 -1.02 0.00 0.00 -0.01 0.00 0.00 64.34 63.29 2ckj n VAL 664 Cb 0.39 -1.15 0.00 0.00 -0.91 0.00 0.00 33.84 32.17 2ckj n VAL 664 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2ckj n GLY 665 N 0.40 0.73 1.04 2.92 0.00 -1.26 -4.86 105.19 104.15 2ckj n GLY 665 Ca 0.20 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.58 2ckj n GLY 665 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2ckj n HIS 666 N 0.00 0.00 -1.90 1.61 -0.00 -1.26 -4.16 115.22 109.51 2ckj n HIS 666 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.30 2ckj n HIS 666 Cb 0.00 -0.46 -0.03 0.00 -0.00 0.00 0.00 29.99 29.50 2ckj n HIS 666 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 2ckj s ILE 667 N 0.00 3.39 -0.09 3.57 1.01 -1.26 -2.34 121.20 125.48 2ckj s ILE 667 Ca 0.00 0.46 -0.04 0.00 0.00 0.00 0.00 60.65 61.07 2ckj s ILE 667 Cb 0.00 -3.33 -0.27 0.00 0.01 0.00 0.00 42.46 38.87 2ckj s ILE 667 CO 0.00 -0.08 0.50 0.40 0.00 0.00 0.00 174.94 175.76 2ckj h ILE 668 N 5.82 0.75 -1.03 2.92 2.04 -1.81 -0.07 117.51 126.13 2ckj h ILE 668 Ca -0.41 -2.46 0.00 0.00 1.00 0.00 0.00 64.86 62.99 2ckj h ILE 668 Cb 1.20 2.56 0.00 0.00 -0.74 0.00 0.00 36.82 39.83 2ckj h ILE 668 CO 0.96 0.83 0.00 0.61 0.00 0.00 0.00 178.15 180.55 2ckj n GLY 669 N 1.88 0.52 3.22 5.37 0.00 -1.17 -4.26 105.19 110.75 2ckj n GLY 669 Ca -0.27 -0.81 -0.13 0.00 0.00 0.00 0.00 46.02 44.81 2ckj n GLY 669 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ckj s ALA 670 N -1.00 -0.74 0.11 4.61 0.00 -0.66 -0.52 121.76 123.56 2ckj s ALA 670 Ca 0.00 0.35 0.02 0.00 0.00 0.00 0.00 51.96 52.33 2ckj s ALA 670 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 23.12 23.09 2ckj s ALA 670 CO 0.00 -0.24 0.20 0.14 0.00 0.00 0.00 175.76 175.86 2ckj s VAL 671 N -1.15 5.07 -0.25 0.00 -7.23 -0.66 -1.24 120.40 114.95 2ckj s VAL 671 Ca -0.12 -0.66 0.03 0.00 -1.81 0.00 0.00 61.98 59.42 2ckj s VAL 671 Cb -0.05 -3.53 0.05 0.00 0.56 0.00 0.00 36.38 33.42 2ckj s VAL 671 CO 0.04 0.03 -0.12 -0.69 -0.31 0.00 0.00 175.10 174.04 2ckj s VAL 672 N -1.60 2.10 0.00 1.32 1.01 0.07 -3.63 120.40 119.68 2ckj s VAL 672 Ca 0.33 -1.51 0.00 0.00 0.00 0.00 0.00 61.98 60.80 2ckj s VAL 672 Cb -0.12 -2.19 0.00 0.00 0.00 0.00 0.00 36.38 34.08 2ckj s VAL 672 CO 0.26 0.04 0.00 0.00 0.00 0.00 0.00 175.10 175.40 2ckj n ALA 673 N 4.47 0.00 -0.05 5.51 0.00 -0.55 0.25 120.51 130.14 2ckj n ALA 673 Ca -0.15 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.30 2ckj n ALA 673 Cb 0.43 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.72 2ckj n ALA 673 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2ckj n ASP 674 N -0.18 0.08 -4.45 0.00 3.85 -1.23 -1.05 116.55 113.57 2ckj n ASP 674 Ca 0.00 0.00 -0.22 0.00 -0.71 0.00 0.00 54.79 53.86 2ckj n ASP 674 Cb 0.00 1.49 -0.11 0.00 -1.35 0.00 0.00 41.12 41.15 2ckj n ASP 674 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.20 176.61 2ckj s THR 675 N -2.99 1.48 -0.46 2.12 -4.23 -1.26 -4.47 115.64 105.84 2ckj s THR 675 Ca -0.09 -2.06 0.26 0.00 -1.18 0.00 0.00 61.69 58.63 2ckj s THR 675 Cb 0.10 -2.65 0.31 0.00 1.34 0.00 0.00 72.50 71.61 2ckj s THR 675 CO 0.86 -0.15 1.75 1.55 -0.54 0.00 0.00 174.62 178.09 2ckj h PRO 676 N 2.16 0.00 0.00 3.99 0.13 -1.93 -2.31 132.00 134.04 2ckj h PRO 676 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 2ckj h PRO 676 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2ckj h PRO 676 CO 0.70 0.00 -0.57 0.93 -0.23 0.00 0.00 178.00 178.83 2ckj h GLU 677 N 0.00 0.00 0.09 0.86 3.07 -1.99 0.25 114.58 116.86 2ckj h GLU 677 Ca 0.00 0.00 -0.28 0.00 -0.50 0.00 0.00 59.36 58.58 2ckj h GLU 677 Cb 0.70 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 28.64 2ckj h GLU 677 CO 0.00 0.00 -1.19 0.45 -1.40 0.00 0.00 179.01 176.87 2ckj h HIS 678 N 0.00 0.93 -0.03 4.33 3.86 -1.91 -3.03 115.15 119.30 2ckj h HIS 678 Ca 0.00 -0.57 0.01 0.00 -1.16 0.00 0.00 60.37 58.65 2ckj h HIS 678 Cb 0.88 -0.08 -0.03 0.00 1.06 0.00 0.00 27.41 29.24 2ckj h HIS 678 CO 0.00 1.41 -0.25 0.00 0.86 0.00 0.00 177.93 179.96 2ckj h THR 679 N 0.27 0.00 0.00 2.45 1.03 -0.99 0.21 112.91 115.88 2ckj h THR 679 Ca -0.16 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.24 2ckj h THR 679 Cb 1.85 0.00 0.00 0.00 -1.07 0.00 0.00 68.15 68.93 2ckj h THR 679 CO 0.22 0.00 0.00 0.00 -0.01 0.00 0.00 175.52 175.73 2ckj n GLN 680 N -3.85 0.00 -0.31 0.00 1.13 0.85 -1.97 117.38 113.23 2ckj n GLN 680 Ca -0.03 0.47 0.13 0.00 -1.94 0.00 0.00 57.00 55.63 2ckj n GLN 680 Cb 0.18 -0.71 0.30 0.00 0.11 0.00 0.00 30.24 30.12 2ckj n GLN 680 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2ckj h ARG 681 N 0.00 0.43 0.35 -1.09 3.08 -1.46 -3.25 114.38 112.44 2ckj h ARG 681 Ca 0.00 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 2ckj h ARG 681 Cb 0.00 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 29.96 2ckj h ARG 681 CO 0.00 0.29 -0.17 0.00 -1.07 0.00 0.00 179.97 179.02 2ckj h ALA 682 N 1.69 -1.01 0.00 0.04 0.00 0.09 -3.13 119.26 116.95 2ckj h ALA 682 Ca 0.56 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.36 2ckj h ALA 682 Cb 1.03 0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2ckj h ALA 682 CO -0.50 -0.97 0.00 0.00 0.00 0.00 0.00 179.25 177.78 2ckj n ALA 683 N -2.27 0.00 -0.08 0.00 0.00 -0.84 -2.72 120.51 114.60 2ckj n ALA 683 Ca -0.06 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.30 2ckj n ALA 683 Cb 0.19 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.61 2ckj n ALA 683 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2ckj n GLN 684 N -1.40 0.50 0.00 0.00 -0.06 -1.18 -3.42 117.38 111.81 2ckj n GLN 684 Ca 0.00 0.36 0.00 0.00 -2.00 0.00 0.00 57.00 55.36 2ckj n GLN 684 Cb 0.00 -1.56 0.00 0.00 -4.06 0.00 0.00 30.24 24.62 2ckj n GLN 684 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2ckj n GLY 685 N 1.52 0.07 3.72 1.69 0.00 -1.10 -4.75 105.19 106.34 2ckj n GLY 685 Ca -0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 2ckj n GLY 685 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ckj s VAL 686 N 0.00 4.66 -0.14 1.61 0.11 -1.16 -4.13 120.40 121.35 2ckj s VAL 686 Ca 0.00 1.98 -0.01 0.00 -2.93 0.00 0.00 61.98 61.03 2ckj s VAL 686 Cb 0.00 -4.28 0.04 0.00 -1.53 0.00 0.00 36.38 30.60 2ckj s VAL 686 CO 0.00 0.27 -0.05 -0.75 -3.33 0.00 0.00 175.10 171.25 2ckj s LYS 687 N 0.33 1.32 0.10 1.54 2.20 -1.05 -4.94 119.74 119.25 2ckj s LYS 687 Ca 0.47 -0.38 0.04 0.00 -0.36 0.00 0.00 55.97 55.74 2ckj s LYS 687 Cb -0.22 -1.80 -0.04 0.00 -1.51 0.00 0.00 37.83 34.26 2ckj s LYS 687 CO 0.28 -0.39 0.05 0.96 -0.36 0.00 0.00 175.35 175.89 2ckj s ILE 688 N 1.70 4.27 -0.17 5.43 -0.00 -1.26 -1.08 121.20 130.09 2ckj s ILE 688 Ca 0.02 -0.94 0.00 0.00 -0.00 0.00 0.00 60.65 59.74 2ckj s ILE 688 Cb -0.14 -3.07 0.03 0.00 -0.00 0.00 0.00 42.46 39.28 2ckj s ILE 688 CO -0.08 0.08 -0.12 0.42 -0.00 0.00 0.00 174.94 175.24 2ckj s THR 689 N -1.43 1.57 0.27 8.37 -4.23 -0.66 -5.02 115.64 114.51 2ckj s THR 689 Ca 0.28 -0.78 0.08 0.00 -1.18 0.00 0.00 61.69 60.09 2ckj s THR 689 Cb -0.12 -1.56 -0.04 0.00 1.34 0.00 0.00 72.50 72.13 2ckj s THR 689 CO 0.20 0.32 0.10 -0.31 -0.54 0.00 0.00 174.62 174.40 2ckj s TYR 690 N 1.46 2.89 -0.08 3.99 1.51 -1.26 -1.34 117.35 124.52 2ckj s TYR 690 Ca 0.02 -0.19 0.02 0.00 -1.01 0.00 0.00 57.07 55.92 2ckj s TYR 690 Cb -0.14 -1.33 0.01 0.00 -0.11 0.00 0.00 41.96 40.39 2ckj s TYR 690 CO -0.10 0.55 -0.13 -2.00 -1.11 0.00 0.00 175.55 172.76 2ckj s GLU 691 N -3.77 1.87 -0.37 -0.62 2.12 -1.04 -4.91 118.70 111.98 2ckj s GLU 691 Ca 0.33 -0.46 -0.08 0.00 0.36 0.00 0.00 54.97 55.12 2ckj s GLU 691 Cb -0.07 -1.56 0.05 0.00 0.26 0.00 0.00 34.13 32.81 2ckj s GLU 691 CO 0.22 -0.00 0.17 -2.00 -0.54 0.00 0.00 175.26 173.11 2ckj s GLU 692 N 0.78 2.64 0.85 4.30 2.12 -1.26 -0.63 118.70 127.49 2ckj s GLU 692 Ca -0.12 -1.24 -0.11 0.00 0.36 0.00 0.00 54.97 53.85 2ckj s GLU 692 Cb -0.16 -3.60 0.10 0.00 0.26 0.00 0.00 34.13 30.73 2ckj s GLU 692 CO 0.02 -0.75 1.09 -0.51 -0.54 0.00 0.00 175.26 174.57 2ckj s LEU 693 N 1.43 2.45 0.45 2.70 1.02 -1.16 -4.97 118.68 120.60 2ckj s LEU 693 Ca 0.00 1.43 -0.13 0.00 0.02 0.00 0.00 54.13 55.46 2ckj s LEU 693 Cb -0.20 -3.95 -0.07 0.00 0.02 0.00 0.00 46.19 41.99 2ckj s LEU 693 CO 0.03 -2.32 0.86 -2.16 0.02 0.00 0.00 176.35 172.79 2ckj s PRO 694 N -5.03 3.83 -0.07 1.29 0.04 -1.26 -4.58 135.00 129.22 2ckj s PRO 694 Ca 0.62 0.65 0.04 0.00 0.04 0.00 0.00 61.00 62.35 2ckj s PRO 694 Cb -0.16 -2.29 -0.02 0.00 0.04 0.00 0.00 34.50 32.07 2ckj s PRO 694 CO 0.56 -0.15 -0.19 0.00 0.04 0.00 0.00 177.00 177.27 2ckj s ALA 695 N -2.50 2.44 -0.24 8.56 0.00 -1.26 -4.91 121.76 123.85 2ckj s ALA 695 Ca 0.54 -0.99 -0.13 0.00 0.00 0.00 0.00 51.96 51.39 2ckj s ALA 695 Cb -0.10 -0.90 -0.05 0.00 0.00 0.00 0.00 23.12 22.07 2ckj s ALA 695 CO 0.32 0.43 0.25 0.42 0.00 0.00 0.00 175.76 177.18 2ckj s ILE 696 N -0.24 5.29 0.01 0.00 1.01 -1.26 -4.95 121.20 121.05 2ckj s ILE 696 Ca -0.00 0.37 -0.05 0.00 0.00 0.00 0.00 60.65 60.97 2ckj s ILE 696 Cb -0.13 -3.59 -0.02 0.00 0.01 0.00 0.00 42.46 38.73 2ckj s ILE 696 CO 0.03 0.29 -0.11 -0.38 0.00 0.00 0.00 174.94 174.77 2ckj n ILE 697 N 4.47 1.27 -3.02 2.92 5.41 -1.26 -1.41 119.36 127.74 2ckj n ILE 697 Ca -0.12 0.30 -0.32 0.00 1.00 0.00 0.00 62.75 63.61 2ckj n ILE 697 Cb 0.52 -1.81 -0.06 0.00 -0.71 0.00 0.00 39.64 37.58 2ckj n ILE 697 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 2ckj s THR 698 N -2.27 4.60 0.11 1.39 -1.32 -1.26 -4.68 115.64 112.22 2ckj s THR 698 Ca -0.09 1.09 -0.22 0.00 -1.21 0.00 0.00 61.69 61.26 2ckj s THR 698 Cb 0.01 -3.61 -0.05 0.00 -1.51 0.00 0.00 72.50 67.34 2ckj s THR 698 CO 0.13 -0.25 1.29 -0.38 -2.21 0.00 0.00 174.62 173.20 2ckj n ILE 699 N -0.51 -0.48 -0.57 5.08 2.08 -1.26 -3.41 119.36 120.29 2ckj n ILE 699 Ca 0.04 2.02 -0.28 0.00 0.56 0.00 0.00 62.75 65.09 2ckj n ILE 699 Cb 0.53 -2.52 0.25 0.00 -0.75 0.00 0.00 39.64 37.15 2ckj n ILE 699 CO 0.00 0.00 0.00 -1.83 0.56 0.00 0.00 176.55 175.28 2ckj s GLU 700 N -4.92 -0.87 6.68 0.38 -1.05 -1.26 -2.91 118.70 114.75 2ckj s GLU 700 Ca -0.09 0.83 0.00 0.00 -0.15 0.00 0.00 54.97 55.57 2ckj s GLU 700 Cb 0.08 -1.56 0.00 0.00 -0.44 0.00 0.00 34.13 32.21 2ckj s GLU 700 CO 0.44 -3.69 0.00 -0.25 0.95 0.00 0.00 175.26 172.71 2ckj n ASP 701 N -4.89 0.00 0.00 0.83 9.92 -1.25 -4.52 116.55 116.63 2ckj n ASP 701 Ca 0.03 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.29 2ckj n ASP 701 Cb 0.54 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.02 2ckj n ASP 701 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2ckj n ALA 702 N 10.58 0.00 -0.04 2.24 0.00 -1.22 0.11 120.51 132.19 2ckj n ALA 702 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 2ckj n ALA 702 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 2ckj n ALA 702 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2ckj h ILE 703 N 0.00 1.37 -0.03 0.00 2.04 -1.76 0.33 117.51 119.46 2ckj h ILE 703 Ca 0.00 -1.24 0.01 0.00 1.00 0.00 0.00 64.86 64.63 2ckj h ILE 703 Cb 0.00 2.02 -0.00 0.00 -0.74 0.00 0.00 36.82 38.10 2ckj h ILE 703 CO 0.00 0.35 0.36 0.50 0.00 0.00 0.00 178.15 179.36 2ckj h LYS 704 N -0.24 0.00 -0.02 2.37 3.64 0.51 -1.72 116.57 121.11 2ckj h LYS 704 Ca 0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 2ckj h LYS 704 Cb 0.59 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 2ckj h LYS 704 CO 0.02 0.00 0.00 0.09 -2.27 0.00 0.00 179.45 177.29 2ckj n ASN 705 N -2.94 1.77 -3.00 4.20 3.02 -0.88 -4.93 115.26 112.50 2ckj n ASN 705 Ca -0.01 -1.39 -0.10 0.00 -0.03 0.00 0.00 54.58 53.05 2ckj n ASN 705 Cb 0.42 -0.01 0.01 0.00 -0.61 0.00 0.00 39.78 39.59 2ckj n ASN 705 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2ckj n ASN 706 N 0.47 -7.27 0.00 6.41 5.15 0.10 -4.97 115.26 115.16 2ckj n ASN 706 Ca 0.05 0.68 0.00 0.00 -0.60 0.00 0.00 54.58 54.71 2ckj n ASN 706 Cb 0.22 -3.94 0.00 0.00 -0.53 0.00 0.00 39.78 35.53 2ckj n ASN 706 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 2ckj n SER 707 N 0.36 0.00 -4.47 1.20 7.64 -0.38 -4.98 113.62 112.98 2ckj n SER 707 Ca 0.02 0.34 -0.33 0.00 1.01 0.00 0.00 58.87 59.90 2ckj n SER 707 Cb 0.36 -0.30 -0.13 0.00 -1.01 0.00 0.00 64.21 63.14 2ckj n SER 707 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 2ckj s PHE 708 N -0.72 2.96 -0.49 1.43 -0.12 -1.26 -4.94 117.98 114.83 2ckj s PHE 708 Ca 0.00 -0.35 -0.06 0.00 -0.05 0.00 0.00 56.93 56.47 2ckj s PHE 708 Cb 0.00 -1.90 0.01 0.00 -0.63 0.00 0.00 43.02 40.50 2ckj s PHE 708 CO 0.00 -0.04 0.41 0.66 -0.05 0.00 0.00 175.22 176.20 2ckj n TYR 709 N 3.38 -1.43 -0.83 3.49 4.02 -1.23 -4.68 117.16 119.87 2ckj n TYR 709 Ca -0.18 0.59 0.06 0.00 -0.01 0.00 0.00 57.90 58.37 2ckj n TYR 709 Cb 0.53 -1.66 -0.03 0.00 -0.02 0.00 0.00 39.34 38.16 2ckj n TYR 709 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2ckj n GLY 710 N -1.00 -0.99 3.71 2.72 0.00 -1.26 -4.42 105.19 103.95 2ckj n GLY 710 Ca -0.18 -0.36 -0.42 0.00 0.00 0.00 0.00 46.02 45.06 2ckj n GLY 710 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ckj s PRO 711 N -3.64 4.34 -0.18 1.61 0.04 -1.26 -4.71 135.00 131.21 2ckj s PRO 711 Ca 0.00 2.00 -0.35 0.00 0.04 0.00 0.00 61.00 62.70 2ckj s PRO 711 Cb 0.00 -3.30 -0.16 0.00 0.04 0.00 0.00 34.50 31.08 2ckj s PRO 711 CO 0.00 -0.42 1.05 -0.85 0.04 0.00 0.00 177.00 176.82 2ckj n GLU 712 N 4.09 0.00 -3.12 4.56 0.28 -1.26 -4.93 120.64 120.26 2ckj n GLU 712 Ca 0.11 0.00 -0.33 0.00 -0.16 0.00 0.00 57.16 56.78 2ckj n GLU 712 Cb 0.43 -1.21 -0.06 0.00 1.43 0.00 0.00 31.44 32.03 2ckj n GLU 712 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 2ckj s LEU 713 N 1.06 4.08 -0.12 -1.84 1.02 -1.05 -4.91 118.68 116.92 2ckj s LEU 713 Ca 0.78 1.32 -0.30 0.00 0.02 0.00 0.00 54.13 55.95 2ckj s LEU 713 Cb -1.11 -4.06 0.10 0.00 0.02 0.00 0.00 46.19 41.14 2ckj s LEU 713 CO 0.55 -0.19 0.86 -1.59 0.02 0.00 0.00 176.35 176.00 2ckj s LYS 714 N -2.90 0.79 -0.07 1.70 -2.85 -1.26 0.25 119.74 115.39 2ckj s LYS 714 Ca 0.54 0.20 0.03 0.00 -1.00 0.00 0.00 55.97 55.73 2ckj s LYS 714 Cb -0.11 0.37 0.01 0.00 -2.06 0.00 0.00 37.83 36.05 2ckj s LYS 714 CO 0.17 -0.24 -0.14 0.42 0.10 0.00 0.00 175.35 175.66 2ckj s ILE 715 N -1.12 1.29 -0.07 3.79 1.01 0.94 -4.96 121.20 122.07 2ckj s ILE 715 Ca -0.06 -0.57 0.03 0.00 0.00 0.00 0.00 60.65 60.06 2ckj s ILE 715 Cb -0.00 -1.17 0.01 0.00 0.01 0.00 0.00 42.46 41.31 2ckj s ILE 715 CO 0.05 0.39 -0.16 -1.61 0.00 0.00 0.00 174.94 173.61 2ckj s GLU 716 N 0.62 2.09 -0.05 2.79 2.02 -1.26 -2.25 118.70 122.65 2ckj s GLU 716 Ca -0.15 -0.58 -0.08 0.00 0.02 0.00 0.00 54.97 54.18 2ckj s GLU 716 Cb -0.16 -1.68 0.01 0.00 0.10 0.00 0.00 34.13 32.40 2ckj s GLU 716 CO 0.05 0.11 0.19 0.21 0.02 0.00 0.00 175.26 175.84 2ckj s LYS 717 N 0.46 0.34 6.88 1.61 2.20 -1.13 -5.04 119.74 125.07 2ckj s LYS 717 Ca -0.14 0.05 0.00 0.00 -0.36 0.00 0.00 55.97 55.53 2ckj s LYS 717 Cb -0.16 0.15 0.00 0.00 -1.51 0.00 0.00 37.83 36.32 2ckj s LYS 717 CO 0.05 -0.06 0.00 0.41 -0.36 0.00 0.00 175.35 175.39 2ckj n GLY 718 N 2.42 2.01 0.00 5.54 0.00 -1.26 -1.75 105.19 112.15 2ckj n GLY 718 Ca -0.16 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.36 2ckj n GLY 718 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2ckj n ASP 719 N 8.34 0.00 0.00 1.61 2.03 -1.26 -5.00 116.55 122.27 2ckj n ASP 719 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2ckj n ASP 719 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 2ckj n ASP 719 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 2ckj n LEU 720 N 0.00 0.00 -0.34 -2.67 -0.00 -1.26 -4.51 117.00 108.22 2ckj n LEU 720 Ca 0.00 0.00 0.29 0.00 -0.00 0.00 0.00 56.01 56.30 2ckj n LEU 720 Cb 0.00 0.00 0.62 0.00 -0.00 0.00 0.00 43.42 44.04 2ckj n LEU 720 CO 0.00 0.00 1.26 0.50 -0.00 0.00 0.00 177.39 179.15 2ckj h LYS 721 N 0.00 0.21 0.56 1.96 1.63 -1.99 -0.77 116.57 118.16 2ckj h LYS 721 Ca 0.00 -0.01 -0.03 0.00 -0.85 0.00 0.00 60.65 59.76 2ckj h LYS 721 Cb 0.00 -0.05 0.01 0.00 -0.60 0.00 0.00 32.23 31.59 2ckj h LYS 721 CO 0.00 0.14 -0.27 -0.22 -3.45 0.00 0.00 179.45 175.65 2ckj h LYS 722 N 0.21 -0.72 -6.82 1.90 3.64 -2.00 -3.31 116.57 109.47 2ckj h LYS 722 Ca 0.61 0.05 -0.51 0.00 -1.27 0.00 0.00 60.65 59.53 2ckj h LYS 722 Cb 1.92 0.16 0.22 0.00 -0.41 0.00 0.00 32.23 34.12 2ckj h LYS 722 CO -0.20 -0.42 -0.60 0.41 -2.27 0.00 0.00 179.45 176.37 2ckj n GLY 723 N -0.44 -1.99 5.10 5.01 0.00 -0.30 -2.13 105.19 110.44 2ckj n GLY 723 Ca -0.11 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.14 2ckj n GLY 723 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2ckj n PHE 724 N -3.89 0.00 0.10 1.61 0.99 -1.26 -4.22 117.46 110.80 2ckj n PHE 724 Ca 0.06 0.00 0.20 0.00 -0.00 0.00 0.00 57.45 57.71 2ckj n PHE 724 Cb 0.55 0.00 0.74 0.00 -1.00 0.00 0.00 39.48 39.77 2ckj n PHE 724 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.76 177.42 2ckj h SER 725 N 0.00 0.00 -0.54 4.37 4.64 -1.63 -2.06 113.55 118.33 2ckj h SER 725 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2ckj h SER 725 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2ckj h SER 725 CO 0.00 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.34 2ckj n GLU 726 N -3.60 3.17 -4.38 4.77 1.02 -0.91 -5.00 120.64 115.71 2ckj n GLU 726 Ca 0.07 -2.59 -0.25 0.00 -0.02 0.00 0.00 57.16 54.37 2ckj n GLU 726 Cb 0.64 -1.63 -0.09 0.00 -0.02 0.00 0.00 31.44 30.33 2ckj n GLU 726 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2ckj s ALA 727 N -1.52 2.89 -0.12 0.62 0.00 -0.77 -5.01 121.76 117.85 2ckj s ALA 727 Ca 0.42 -1.70 -0.10 0.00 0.00 0.00 0.00 51.96 50.57 2ckj s ALA 727 Cb 0.25 -0.52 -0.09 0.00 0.00 0.00 0.00 23.12 22.76 2ckj s ALA 727 CO 0.22 0.33 0.25 -0.44 0.00 0.00 0.00 175.76 176.12 2ckj h ASP 728 N 2.37 0.00 -4.25 0.00 3.45 -1.85 -3.48 116.42 112.66 2ckj h ASP 728 Ca -0.43 -0.34 -0.53 0.00 0.43 0.00 0.00 57.03 56.16 2ckj h ASP 728 Cb 1.24 0.00 -0.22 0.00 -0.56 0.00 0.00 39.33 39.79 2ckj h ASP 728 CO 0.58 0.69 -0.82 0.20 -1.57 0.00 0.00 179.24 178.32 2ckj s ASN 729 N -5.80 2.34 -0.19 6.45 0.01 -0.92 -5.02 114.94 111.81 2ckj s ASN 729 Ca -0.07 -0.67 -0.03 0.00 -0.71 0.00 0.00 52.86 51.38 2ckj s ASN 729 Cb -0.01 -0.12 0.06 0.00 0.41 0.00 0.00 41.25 41.59 2ckj s ASN 729 CO 0.25 0.03 0.03 0.54 -1.51 0.00 0.00 177.10 176.44 2ckj s VAL 730 N -1.18 0.51 0.30 1.60 0.11 -1.26 -2.71 120.40 117.77 2ckj s VAL 730 Ca 0.05 -0.53 0.08 0.00 -2.93 0.00 0.00 61.98 58.64 2ckj s VAL 730 Cb -0.10 -1.01 -0.03 0.00 -1.53 0.00 0.00 36.38 33.71 2ckj s VAL 730 CO 0.04 -0.19 0.21 0.68 -3.33 0.00 0.00 175.10 172.51 2ckj s VAL 731 N 1.86 3.82 -0.30 2.04 -7.23 -1.21 -5.01 120.40 114.39 2ckj s VAL 731 Ca -0.01 -1.46 -0.15 0.00 -1.81 0.00 0.00 61.98 58.55 2ckj s VAL 731 Cb -0.17 -3.22 0.18 0.00 0.56 0.00 0.00 36.38 33.73 2ckj s VAL 731 CO -0.08 -0.26 1.08 -0.55 -0.31 0.00 0.00 175.10 174.98 2ckj s SER 732 N -3.89 -0.41 0.00 4.85 0.15 -1.25 0.28 113.70 113.43 2ckj s SER 732 Ca 0.37 0.36 0.00 0.00 0.70 0.00 0.00 55.95 57.37 2ckj s SER 732 Cb -0.06 1.38 0.00 0.00 -1.71 0.00 0.00 66.02 65.63 2ckj s SER 732 CO 0.25 -0.08 0.00 0.61 1.20 0.00 0.00 173.24 175.22 2ckj n GLY 733 N 5.23 1.87 3.33 9.45 0.00 0.09 -5.01 105.19 120.15 2ckj n GLY 733 Ca -0.07 -0.85 -0.15 0.00 0.00 0.00 0.00 46.02 44.95 2ckj n GLY 733 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ckj s GLU 734 N -0.73 0.79 -0.11 1.61 2.12 -1.26 0.06 118.70 121.18 2ckj s GLU 734 Ca 0.00 -0.05 -0.21 0.00 0.36 0.00 0.00 54.97 55.06 2ckj s GLU 734 Cb 0.00 0.36 0.05 0.00 0.26 0.00 0.00 34.13 34.80 2ckj s GLU 734 CO 0.00 -0.23 0.52 0.96 -0.54 0.00 0.00 175.26 175.97 2ckj s ILE 735 N -1.30 0.01 -0.23 -3.70 -4.36 0.66 -4.98 121.20 107.31 2ckj s ILE 735 Ca -0.13 -0.12 -0.06 0.00 -0.26 0.00 0.00 60.65 60.09 2ckj s ILE 735 Cb -0.04 -0.79 -0.02 0.00 1.25 0.00 0.00 42.46 42.86 2ckj s ILE 735 CO 0.06 -0.07 0.03 -0.47 0.24 0.00 0.00 174.94 174.73 2ckj s TYR 736 N -0.54 3.05 -0.26 1.37 5.04 -1.26 -2.53 117.35 122.22 2ckj s TYR 736 Ca -0.07 -0.55 -0.12 0.00 -2.44 0.00 0.00 57.07 53.90 2ckj s TYR 736 Cb -0.03 -2.17 -0.05 0.00 0.35 0.00 0.00 41.96 40.06 2ckj s TYR 736 CO 0.04 -0.37 0.21 0.42 -1.34 0.00 0.00 175.55 174.52 2ckj s ILE 737 N 1.41 5.31 0.50 3.14 1.01 -0.57 -2.57 121.20 129.43 2ckj s ILE 737 Ca 0.05 0.26 -0.18 0.00 0.00 0.00 0.00 60.65 60.78 2ckj s ILE 737 Cb -0.15 -3.55 -0.14 0.00 0.01 0.00 0.00 42.46 38.63 2ckj s ILE 737 CO 0.01 0.28 0.00 0.61 0.00 0.00 0.00 174.94 175.84 2ckj n GLY 738 N 4.63 -2.90 2.26 6.18 0.00 0.59 -2.08 105.19 113.87 2ckj n GLY 738 Ca -0.13 -0.16 -0.13 0.00 0.00 0.00 0.00 46.02 45.60 2ckj n GLY 738 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ckj n GLY 739 N 2.37 0.73 3.47 -0.02 0.00 -1.26 -4.68 105.19 105.80 2ckj n GLY 739 Ca 0.09 -2.00 -0.17 0.00 0.00 0.00 0.00 46.02 43.93 2ckj n GLY 739 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2ckj s GLN 740 N -3.95 1.00 0.27 1.61 0.74 -1.19 -4.73 119.66 113.40 2ckj s GLN 740 Ca 0.38 0.14 -0.20 0.00 0.05 0.00 0.00 55.36 55.74 2ckj s GLN 740 Cb -0.02 0.47 -0.09 0.00 1.10 0.00 0.00 33.01 34.47 2ckj s GLN 740 CO 0.25 -0.32 0.77 -2.00 -0.55 0.00 0.00 175.29 173.45 2ckj s GLU 741 N -1.35 4.24 0.04 1.67 2.56 -1.26 -1.29 118.70 123.32 2ckj s GLU 741 Ca -0.11 0.90 -0.19 0.00 0.00 0.00 0.00 54.97 55.57 2ckj s GLU 741 Cb -0.01 -2.74 -0.15 0.00 2.00 0.00 0.00 34.13 33.23 2ckj s GLU 741 CO 0.08 0.31 1.31 0.45 -0.56 0.00 0.00 175.26 176.84 2ckj h HIS 742 N 3.06 0.52 -6.41 5.30 3.86 -1.96 -3.48 115.15 116.04 2ckj h HIS 742 Ca -0.48 -0.18 -0.48 0.00 -1.16 0.00 0.00 60.37 58.08 2ckj h HIS 742 Cb 1.19 -0.10 -0.00 0.00 1.06 0.00 0.00 27.41 29.56 2ckj h HIS 742 CO 0.63 0.86 -0.91 0.34 0.86 0.00 0.00 177.93 179.71 2ckj n PHE 743 N -4.45 -1.73 -1.47 2.45 7.35 -1.26 -4.98 117.46 113.36 2ckj n PHE 743 Ca -0.06 0.63 -0.30 0.00 -0.76 0.00 0.00 57.45 56.95 2ckj n PHE 743 Cb 0.43 -3.64 0.10 0.00 0.35 0.00 0.00 39.48 36.72 2ckj n PHE 743 CO 0.00 0.00 0.00 1.52 -0.76 0.00 0.00 176.76 177.52 2ckj s TYR 744 N -3.77 2.74 0.01 -5.13 -0.85 -1.26 -4.89 117.35 104.19 2ckj s TYR 744 Ca 0.17 1.21 -0.04 0.00 -0.52 0.00 0.00 57.07 57.89 2ckj s TYR 744 Cb -0.07 -3.11 -0.28 0.00 0.38 0.00 0.00 41.96 38.89 2ckj s TYR 744 CO 0.88 -1.85 0.87 -0.07 -1.52 0.00 0.00 175.55 173.86 2ckj h LEU 745 N -1.15 0.41 -9.43 -3.49 3.38 -1.90 -3.42 115.31 99.71 2ckj h LEU 745 Ca -0.47 -0.56 -0.54 0.00 0.09 0.00 0.00 57.88 56.40 2ckj h LEU 745 Cb 1.27 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 2ckj h LEU 745 CO 0.58 1.46 0.50 -0.70 0.09 0.00 0.00 178.44 180.37 2ckj s GLU 746 N -2.62 4.47 0.43 1.13 2.12 -1.22 -4.72 118.70 118.29 2ckj s GLU 746 Ca -0.09 1.61 0.02 0.00 0.36 0.00 0.00 54.97 56.87 2ckj s GLU 746 Cb 0.07 -3.42 0.08 0.00 0.26 0.00 0.00 34.13 31.12 2ckj s GLU 746 CO 0.86 -0.20 0.59 0.25 -0.54 0.00 0.00 175.26 176.22 2ckj n THR 747 N 4.00 0.00 -1.73 -1.70 -2.24 -1.26 -4.72 114.28 106.63 2ckj n THR 747 Ca 0.08 -1.07 -0.33 0.00 -2.27 0.00 0.00 64.05 60.46 2ckj n THR 747 Cb 0.48 -0.95 0.05 0.00 -2.10 0.00 0.00 70.33 67.82 2ckj n THR 747 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2ckj s HIS 748 N -1.67 2.56 -0.29 4.78 0.09 -1.26 -4.87 115.29 114.63 2ckj s HIS 748 Ca 0.41 1.56 -0.22 0.00 -0.00 0.00 0.00 55.06 56.80 2ckj s HIS 748 Cb -0.03 -3.20 0.14 0.00 -0.00 0.00 0.00 32.58 29.50 2ckj s HIS 748 CO 0.27 -1.78 1.09 0.00 -0.00 0.00 0.00 174.74 174.32 2ckj s THR 750 N 0.53 -0.10 -0.24 0.00 2.01 -0.79 -2.12 115.64 114.94 2ckj s THR 750 Ca 0.00 0.32 -0.09 0.00 0.31 0.00 0.00 61.69 62.24 2ckj s THR 750 Cb -0.05 -0.14 -0.04 0.00 0.01 0.00 0.00 72.50 72.28 2ckj s THR 750 CO -0.10 0.13 0.12 -0.63 -0.69 0.00 0.00 174.62 173.45 2ckj s ILE 751 N 1.69 4.89 -0.16 1.82 1.01 -0.65 -1.66 121.20 128.13 2ckj s ILE 751 Ca -0.02 0.02 -0.01 0.00 0.00 0.00 0.00 60.65 60.64 2ckj s ILE 751 Cb -0.12 -3.28 -0.01 0.00 0.01 0.00 0.00 42.46 39.06 2ckj s ILE 751 CO -0.03 0.34 -0.11 0.00 0.00 0.00 0.00 174.94 175.14 2ckj s ALA 752 N 1.26 2.67 -0.29 9.38 0.00 0.98 -1.90 121.76 133.86 2ckj s ALA 752 Ca 0.06 -0.99 0.02 0.00 0.00 0.00 0.00 51.96 51.04 2ckj s ALA 752 Cb -0.14 -1.37 0.08 0.00 0.00 0.00 0.00 23.12 21.69 2ckj s ALA 752 CO 0.05 -0.00 0.01 0.54 0.00 0.00 0.00 175.76 176.36 2ckj s VAL 753 N 0.76 1.73 -0.15 0.00 0.11 -0.23 -1.77 120.40 120.84 2ckj s VAL 753 Ca -0.04 -1.71 -0.29 0.00 -2.93 0.00 0.00 61.98 57.00 2ckj s VAL 753 Cb -0.15 -2.14 -0.02 0.00 -1.53 0.00 0.00 36.38 32.54 2ckj s VAL 753 CO 0.01 -0.40 1.34 -2.16 -3.33 0.00 0.00 175.10 170.57 2ckj s PRO 754 N 1.23 4.20 0.01 1.54 0.04 -1.26 -3.03 135.00 137.73 2ckj s PRO 754 Ca 0.03 1.74 -0.19 0.00 0.04 0.00 0.00 61.00 62.62 2ckj s PRO 754 Cb -0.19 -3.81 -0.23 0.00 0.04 0.00 0.00 34.50 30.31 2ckj s PRO 754 CO -0.11 -0.76 1.12 0.87 0.04 0.00 0.00 177.00 178.17 2ckj h LYS 755 N 8.53 0.43 0.00 4.56 1.57 -1.84 -3.46 116.57 126.36 2ckj h LYS 755 Ca -0.29 -0.44 0.00 0.00 -1.87 0.00 0.00 60.65 58.06 2ckj h LYS 755 Cb 1.12 0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.55 2ckj h LYS 755 CO 0.97 1.09 0.00 0.41 -0.57 0.00 0.00 179.45 181.35 2ckj n GLY 756 N 1.01 1.88 3.49 3.86 0.00 -1.24 -5.03 105.19 109.16 2ckj n GLY 756 Ca -0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.57 2ckj n GLY 756 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2ckj s GLU 757 N -0.49 3.69 -0.51 1.61 -1.05 -1.26 -4.76 118.70 115.93 2ckj s GLU 757 Ca 0.00 -0.49 0.00 0.00 -0.15 0.00 0.00 54.97 54.33 2ckj s GLU 757 Cb 0.00 -3.07 0.00 0.00 -0.44 0.00 0.00 34.13 30.62 2ckj s GLU 757 CO 0.00 0.09 0.00 0.00 0.95 0.00 0.00 175.26 176.30 2ckj n ALA 758 N 4.01 -0.07 0.00 -0.84 0.00 -1.26 -2.69 120.51 119.66 2ckj n ALA 758 Ca -0.17 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2ckj n ALA 758 Cb 0.52 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.76 2ckj n ALA 758 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ckj n GLY 759 N -0.57 0.56 3.55 0.00 0.00 -1.26 -4.99 105.19 102.48 2ckj n GLY 759 Ca -0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 2ckj n GLY 759 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ckj n GLU 760 N -1.44 1.06 -3.67 1.61 1.02 -1.09 -4.89 120.64 113.24 2ckj n GLU 760 Ca 0.00 0.38 -0.14 0.00 -0.02 0.00 0.00 57.16 57.38 2ckj n GLU 760 Cb 0.00 -1.81 -0.08 0.00 -0.02 0.00 0.00 31.44 29.53 2ckj n GLU 760 CO 0.00 0.00 0.00 1.41 1.18 0.00 0.00 177.13 179.72 2ckj s MET 761 N -1.78 0.69 -0.06 3.49 1.75 -1.11 -2.39 119.30 119.90 2ckj s MET 761 Ca 0.63 0.78 0.04 0.00 -1.25 0.00 0.00 55.69 55.88 2ckj s MET 761 Cb -0.61 0.34 -0.00 0.00 2.84 0.00 0.00 34.83 37.40 2ckj s MET 761 CO 0.58 -0.09 -0.18 -2.00 -0.65 0.00 0.00 175.02 172.67 2ckj s GLU 762 N 0.23 2.04 -0.03 4.11 2.12 -1.17 -1.61 118.70 124.40 2ckj s GLU 762 Ca -0.01 -0.65 0.04 0.00 0.36 0.00 0.00 54.97 54.71 2ckj s GLU 762 Cb -0.04 -1.71 -0.00 0.00 0.26 0.00 0.00 34.13 32.64 2ckj s GLU 762 CO 0.01 0.22 -0.13 -0.51 -0.54 0.00 0.00 175.26 174.31 2ckj s LEU 763 N 0.14 1.91 -0.33 2.70 1.02 -0.69 -1.07 118.68 122.37 2ckj s LEU 763 Ca -0.07 -0.27 -0.08 0.00 0.02 0.00 0.00 54.13 53.73 2ckj s LEU 763 Cb -0.13 -0.75 0.02 0.00 0.02 0.00 0.00 46.19 45.35 2ckj s LEU 763 CO 0.04 0.13 0.13 -0.36 0.02 0.00 0.00 176.35 176.31 2ckj s PHE 764 N -0.05 3.21 -0.01 0.29 0.40 -0.80 -1.30 117.98 119.71 2ckj s PHE 764 Ca -0.00 -1.05 -0.01 0.00 -0.60 0.00 0.00 56.93 55.26 2ckj s PHE 764 Cb -0.08 -2.32 0.00 0.00 0.51 0.00 0.00 43.02 41.13 2ckj s PHE 764 CO 0.01 -0.62 0.04 0.08 0.70 0.00 0.00 175.22 175.42 2ckj s VAL 765 N 1.50 0.00 -1.08 -0.44 1.01 -0.58 -1.64 120.40 119.17 2ckj s VAL 765 Ca 0.01 -0.04 -0.13 0.00 0.00 0.00 0.00 61.98 61.82 2ckj s VAL 765 Cb -0.18 -0.07 0.20 0.00 0.00 0.00 0.00 36.38 36.32 2ckj s VAL 765 CO 0.04 -0.02 1.20 -0.55 0.00 0.00 0.00 175.10 175.77 2ckj s SER 766 N -0.05 7.02 0.10 3.32 0.15 -0.90 -4.55 113.70 118.79 2ckj s SER 766 Ca -0.01 -2.94 -0.02 0.00 0.70 0.00 0.00 55.95 53.68 2ckj s SER 766 Cb -0.01 -2.32 -0.03 0.00 -1.71 0.00 0.00 66.02 61.94 2ckj s SER 766 CO 0.00 -0.66 0.05 0.28 1.20 0.00 0.00 173.24 174.11 2ckj s THR 767 N 0.84 0.15 -0.10 6.45 -1.32 -1.26 -4.71 115.64 115.69 2ckj s THR 767 Ca 0.34 -1.77 0.16 0.00 -1.21 0.00 0.00 61.69 59.20 2ckj s THR 767 Cb -0.06 -1.76 -0.17 0.00 -1.51 0.00 0.00 72.50 69.00 2ckj s THR 767 CO -0.05 -0.68 0.76 0.00 -2.21 0.00 0.00 174.62 172.44 2ckj n GLN 768 N -0.02 0.62 -3.46 7.08 6.02 -0.05 -4.77 117.38 122.81 2ckj n GLN 768 Ca -0.10 0.24 -0.43 0.00 -0.01 0.00 0.00 57.00 56.70 2ckj n GLN 768 Cb 0.62 -1.80 -0.05 0.00 1.02 0.00 0.00 30.24 30.04 2ckj n GLN 768 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 2ckj s ASN 769 N -5.86 6.18 0.02 1.08 3.84 -1.22 -1.44 114.94 117.54 2ckj s ASN 769 Ca -0.04 -2.55 -0.21 0.00 0.21 0.00 0.00 52.86 50.27 2ckj s ASN 769 Cb 0.08 -2.09 -0.17 0.00 -0.55 0.00 0.00 41.25 38.52 2ckj s ASN 769 CO 0.82 -0.56 1.25 0.00 -2.79 0.00 0.00 177.10 175.82 2ckj h THR 770 N 5.18 1.40 -0.77 -5.21 1.03 -1.86 -2.12 112.91 110.55 2ckj h THR 770 Ca -0.00 -1.51 0.10 0.00 -0.01 0.00 0.00 66.41 64.99 2ckj h THR 770 Cb 1.03 2.14 -0.05 0.00 -1.07 0.00 0.00 68.15 70.19 2ckj h THR 770 CO 0.78 0.43 0.51 -0.03 -0.01 0.00 0.00 175.52 177.21 2ckj h MET 771 N -0.13 0.66 0.09 0.00 1.85 -1.91 -2.84 114.93 112.65 2ckj h MET 771 Ca 0.00 -0.04 -0.34 0.00 -0.61 0.00 0.00 59.70 58.71 2ckj h MET 771 Cb 0.80 -0.15 -0.02 0.00 0.43 0.00 0.00 31.60 32.66 2ckj h MET 771 CO 0.05 0.44 -1.91 1.63 -0.40 0.00 0.00 176.91 176.72 2ckj n LYS 772 N -4.50 0.71 -0.35 0.39 4.76 -1.23 -2.23 118.16 115.71 2ckj n LYS 772 Ca 0.13 0.31 0.16 0.00 -2.87 0.00 0.00 58.31 56.04 2ckj n LYS 772 Cb 0.34 -1.70 0.36 0.00 -1.84 0.00 0.00 35.03 32.20 2ckj n LYS 772 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 2ckj h THR 773 N -0.16 0.61 0.21 -0.18 2.02 -1.27 -0.57 112.91 113.57 2ckj h THR 773 Ca -0.43 -0.23 -0.01 0.00 0.77 0.00 0.00 66.41 66.52 2ckj h THR 773 Cb 1.88 -0.10 -0.00 0.00 -1.74 0.00 0.00 68.15 68.19 2ckj h THR 773 CO 0.01 0.12 -0.12 -0.61 0.37 0.00 0.00 175.52 175.29 2ckj h GLN 774 N 0.66 -0.30 0.08 6.66 4.15 -1.51 -2.31 115.11 122.54 2ckj h GLN 774 Ca 0.61 0.02 -0.19 0.00 0.77 0.00 0.00 58.65 59.86 2ckj h GLN 774 Cb 1.09 0.07 0.02 0.00 0.21 0.00 0.00 27.48 28.87 2ckj h GLN 774 CO -0.43 -0.20 -0.79 0.77 -1.93 0.00 0.00 178.83 176.25 2ckj h SER 775 N -0.31 0.55 0.11 -0.69 0.02 -0.81 -2.59 113.55 109.83 2ckj h SER 775 Ca -0.02 -0.86 -0.04 0.00 -0.84 0.00 0.00 61.79 60.03 2ckj h SER 775 Cb 0.26 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.62 2ckj h SER 775 CO 0.03 1.36 -0.14 -0.26 -1.14 0.00 0.00 176.83 176.67 2ckj h PHE 776 N -0.18 0.08 0.12 3.45 -1.00 -1.27 0.73 116.94 118.88 2ckj h PHE 776 Ca -0.12 -0.01 0.01 0.00 2.81 0.00 0.00 57.97 60.66 2ckj h PHE 776 Cb 1.55 -0.02 -0.01 0.00 3.61 0.00 0.00 35.95 41.08 2ckj h PHE 776 CO 0.17 0.21 -0.13 0.28 -1.61 0.00 0.00 178.31 177.23 2ckj h VAL 777 N 0.07 0.71 -0.59 -0.55 2.07 -1.36 -3.01 116.25 113.58 2ckj h VAL 777 Ca 0.01 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.61 2ckj h VAL 777 Cb 0.29 0.71 -0.04 0.00 -1.52 0.00 0.00 31.29 30.73 2ckj h VAL 777 CO 0.02 0.00 0.39 0.00 0.02 0.00 0.00 177.57 178.00 2ckj h ALA 778 N 0.58 1.91 0.11 1.67 0.00 -0.78 -0.25 119.26 122.49 2ckj h ALA 778 Ca 0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2ckj h ALA 778 Cb 0.27 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2ckj h ALA 778 CO -0.04 -0.02 -0.05 -0.22 0.00 0.00 0.00 179.25 178.91 2ckj h LYS 779 N 0.49 -0.14 -0.50 0.00 3.64 -0.94 -2.03 116.57 117.08 2ckj h LYS 779 Ca 0.26 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.73 2ckj h LYS 779 Cb 0.40 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.22 2ckj h LYS 779 CO -0.08 0.24 0.34 1.98 -2.27 0.00 0.00 179.45 179.66 2ckj h MET 780 N -0.55 0.35 0.00 1.90 4.05 -1.28 -2.88 114.93 116.51 2ckj h MET 780 Ca -0.02 -0.02 -0.04 0.00 -0.28 0.00 0.00 59.70 59.35 2ckj h MET 780 Cb 0.44 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 31.16 2ckj h MET 780 CO 0.02 0.23 -0.78 -0.07 0.23 0.00 0.00 176.91 176.55 2ckj h LEU 781 N 0.36 0.00 0.00 3.39 3.38 -0.94 -2.95 115.31 118.55 2ckj h LEU 781 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 2ckj h LEU 781 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 2ckj h LEU 781 CO -0.06 0.14 0.00 0.61 0.09 0.00 0.00 178.44 179.23 2ckj n GLY 782 N 1.20 0.53 3.39 0.83 0.00 -0.81 -4.48 105.19 105.85 2ckj n GLY 782 Ca -0.00 -0.82 -0.21 0.00 0.00 0.00 0.00 46.02 44.99 2ckj n GLY 782 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2ckj s VAL 783 N -2.00 2.01 0.47 1.61 -7.23 -0.95 -5.07 120.40 109.24 2ckj s VAL 783 Ca 0.00 -2.22 -0.23 0.00 -1.81 0.00 0.00 61.98 57.72 2ckj s VAL 783 Cb 0.00 -2.10 -0.09 0.00 0.56 0.00 0.00 36.38 34.76 2ckj s VAL 783 CO 0.00 -0.47 1.08 -0.81 -0.31 0.00 0.00 175.10 174.58 2ckj n PRO 784 N -0.33 1.40 0.14 4.82 -0.04 -1.26 -4.52 135.00 135.21 2ckj n PRO 784 Ca -0.08 0.51 0.11 0.00 -0.04 0.00 0.00 63.50 64.00 2ckj n PRO 784 Cb 0.60 -2.18 0.51 0.00 -0.04 0.00 0.00 33.50 32.39 2ckj n PRO 784 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2ckj n ALA 785 N -0.74 1.30 1.29 0.55 0.00 -1.26 -1.71 120.51 119.94 2ckj n ALA 785 Ca 0.10 0.14 0.13 0.00 0.00 0.00 0.00 53.44 53.80 2ckj n ALA 785 Cb 0.41 -1.33 0.40 0.00 0.00 0.00 0.00 19.45 18.94 2ckj n ALA 785 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2ckj n ASN 786 N -2.19 1.90 0.03 0.00 0.23 -1.26 -2.85 115.26 111.13 2ckj n ASN 786 Ca 0.00 -1.66 0.11 0.00 -0.53 0.00 0.00 54.58 52.51 2ckj n ASN 786 Cb 0.11 -0.04 -0.01 0.00 -2.08 0.00 0.00 39.78 37.76 2ckj n ASN 786 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 2ckj n ARG 787 N 0.48 0.38 -3.73 -3.83 5.12 -0.69 -4.89 116.66 109.51 2ckj n ARG 787 Ca 0.18 -0.01 -0.37 0.00 -1.93 0.00 0.00 57.85 55.71 2ckj n ARG 787 Cb 0.41 -1.62 -0.06 0.00 -1.16 0.00 0.00 32.46 30.03 2ckj n ARG 787 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 2ckj s ILE 788 N -3.27 5.34 -0.09 0.55 1.09 -1.13 -2.75 121.20 120.94 2ckj s ILE 788 Ca 0.01 0.44 0.03 0.00 -1.10 0.00 0.00 60.65 60.03 2ckj s ILE 788 Cb 0.14 -3.52 0.01 0.00 -1.06 0.00 0.00 42.46 38.03 2ckj s ILE 788 CO 0.82 0.59 -0.17 -0.69 -0.10 0.00 0.00 174.94 175.39 2ckj s VAL 789 N -0.90 1.50 -0.08 2.92 1.01 -0.63 -5.01 120.40 119.22 2ckj s VAL 789 Ca 0.18 -0.68 0.04 0.00 0.00 0.00 0.00 61.98 61.51 2ckj s VAL 789 Cb -0.14 -1.34 -0.01 0.00 0.00 0.00 0.00 36.38 34.89 2ckj s VAL 789 CO 0.07 0.44 -0.19 -0.69 0.00 0.00 0.00 175.10 174.73 2ckj s VAL 790 N 0.64 2.58 -0.02 2.92 1.01 -1.26 -1.70 120.40 124.57 2ckj s VAL 790 Ca -0.14 -0.86 -0.08 0.00 0.00 0.00 0.00 61.98 60.90 2ckj s VAL 790 Cb -0.16 -2.01 0.01 0.00 0.00 0.00 0.00 36.38 34.22 2ckj s VAL 790 CO 0.04 0.56 0.16 0.00 0.00 0.00 0.00 175.10 175.87 2ckj s ARG 791 N -0.11 0.43 -0.08 2.72 1.70 -0.42 -3.30 118.95 119.90 2ckj s ARG 791 Ca -0.03 -0.22 0.00 0.00 -0.47 0.00 0.00 55.73 55.01 2ckj s ARG 791 Cb -0.14 0.18 0.02 0.00 -0.57 0.00 0.00 34.95 34.45 2ckj s ARG 791 CO 0.04 -0.10 -0.05 0.08 -1.08 0.00 0.00 175.30 174.19 2ckj s VAL 792 N -1.00 0.71 -0.26 4.99 1.01 -1.00 -1.53 120.40 123.32 2ckj s VAL 792 Ca -0.11 -0.14 -0.12 0.00 0.00 0.00 0.00 61.98 61.61 2ckj s VAL 792 Cb -0.06 -0.76 -0.12 0.00 0.00 0.00 0.00 36.38 35.45 2ckj s VAL 792 CO 0.01 0.30 -0.33 1.17 0.00 0.00 0.00 175.10 176.25 2ckj n LYS 793 N 4.63 0.56 -3.62 2.72 4.81 -1.26 -2.47 118.16 123.53 2ckj n LYS 793 Ca -0.15 0.24 -0.12 0.00 -0.87 0.00 0.00 58.31 57.41 2ckj n LYS 793 Cb 0.50 -1.44 -0.05 0.00 0.02 0.00 0.00 35.03 34.07 2ckj n LYS 793 CO 0.00 0.00 0.00 -0.98 1.17 0.00 0.00 177.40 177.59 2ckj s ARG 794 N -2.48 1.04 0.27 1.64 1.70 -1.26 -4.47 118.95 115.38 2ckj s ARG 794 Ca -0.37 -0.54 0.11 0.00 -0.47 0.00 0.00 55.73 54.46 2ckj s ARG 794 Cb 0.14 0.46 -0.05 0.00 -0.57 0.00 0.00 34.95 34.93 2ckj s ARG 794 CO 0.47 -0.39 -0.17 -1.64 -1.08 0.00 0.00 175.30 172.49 2ckj s MET 795 N -3.28 1.78 -0.18 3.89 -1.94 0.02 -4.87 119.30 114.72 2ckj s MET 795 Ca -0.00 -1.68 0.00 0.00 -1.71 0.00 0.00 55.69 52.30 2ckj s MET 795 Cb 0.01 -1.85 0.19 0.00 2.01 0.00 0.00 34.83 35.18 2ckj s MET 795 CO -0.08 0.34 1.64 0.41 -0.01 0.00 0.00 175.02 177.32 2ckj n GLY 796 N -0.57 3.20 0.00 -0.03 0.00 -1.26 -4.21 105.19 102.32 2ckj n GLY 796 Ca -0.06 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.41 2ckj n GLY 796 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ckj n GLY 797 N 0.31 2.57 0.94 -0.02 0.00 -1.24 -2.98 105.19 104.78 2ckj n GLY 797 Ca 0.20 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 44.28 2ckj n GLY 797 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ckj n GLY 798 N 0.77 -0.13 4.45 -0.02 0.00 -1.26 -4.89 105.19 104.10 2ckj n GLY 798 Ca 0.00 -0.04 -0.39 0.00 0.00 0.00 0.00 46.02 45.59 2ckj n GLY 798 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2ckj n PHE 799 N -1.97 -1.23 0.00 1.61 3.01 -1.26 -0.65 117.46 116.97 2ckj n PHE 799 Ca 0.00 0.67 0.00 0.00 1.01 0.00 0.00 57.45 59.13 2ckj n PHE 799 Cb 0.00 -2.23 0.00 0.00 -0.01 0.00 0.00 39.48 37.24 2ckj n PHE 799 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2ckj n GLY 800 N -1.54 1.42 0.11 1.37 0.00 -1.26 -2.86 105.19 102.43 2ckj n GLY 800 Ca -0.02 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.05 2ckj n GLY 800 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ckj n GLY 801 N 0.00 -0.55 0.66 -0.02 0.00 0.17 -0.54 105.19 104.92 2ckj n GLY 801 Ca 0.00 0.09 0.06 0.00 0.00 0.00 0.00 46.02 46.17 2ckj n GLY 801 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2ckj n LYS 802 N -1.84 1.04 0.27 1.61 2.85 -1.20 -4.52 118.16 116.38 2ckj n LYS 802 Ca -0.01 -2.66 0.14 0.00 -1.05 0.00 0.00 58.31 54.73 2ckj n LYS 802 Cb 0.25 -1.15 0.78 0.00 -0.65 0.00 0.00 35.03 34.25 2ckj n LYS 802 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 177.40 178.84 2ckj h GLU 803 N 0.69 0.00 0.00 -1.58 4.81 -1.15 -0.09 114.58 117.26 2ckj h GLU 803 Ca -0.05 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 2ckj h GLU 803 Cb 1.22 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.60 2ckj h GLU 803 CO 0.02 0.09 0.00 0.25 -0.73 0.00 0.00 179.01 178.64 2ckj n THR 804 N -3.55 0.00 0.08 0.32 -2.24 -1.26 -4.24 114.28 103.40 2ckj n THR 804 Ca -0.02 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.60 2ckj n THR 804 Cb 0.22 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.36 2ckj n THR 804 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 2ckj h ARG 805 N 0.00 0.45 -0.39 -0.78 2.47 -1.84 -2.67 114.38 111.62 2ckj h ARG 805 Ca 0.00 -0.57 0.07 0.00 -1.26 0.00 0.00 59.98 58.23 2ckj h ARG 805 Cb 0.00 0.18 -0.07 0.00 -1.65 0.00 0.00 29.97 28.43 2ckj h ARG 805 CO 0.00 1.21 -0.12 -1.13 0.56 0.00 0.00 179.97 180.50 2ckj n SER 806 N -3.71 -0.18 -0.18 7.04 3.41 -1.26 0.96 113.62 119.69 2ckj n SER 806 Ca -0.09 0.67 0.30 0.00 -0.26 0.00 0.00 58.87 59.49 2ckj n SER 806 Cb 0.92 -0.19 0.72 0.00 -0.26 0.00 0.00 64.21 65.40 2ckj n SER 806 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 2ckj h THR 807 N 0.00 0.42 0.00 6.66 1.35 -1.85 -1.98 112.91 117.51 2ckj h THR 807 Ca 0.17 0.00 -0.07 0.00 -0.55 0.00 0.00 66.41 65.95 2ckj h THR 807 Cb 0.27 0.48 -0.01 0.00 -1.73 0.00 0.00 68.15 67.15 2ckj h THR 807 CO -0.40 0.00 -0.35 -0.37 -0.25 0.00 0.00 175.52 174.15 2ckj h VAL 808 N 0.00 0.99 0.00 6.82 -1.51 0.38 -1.45 116.25 121.48 2ckj h VAL 808 Ca 0.44 -1.34 -0.06 0.00 -1.23 0.00 0.00 66.70 64.50 2ckj h VAL 808 Cb 1.89 1.79 -0.01 0.00 -2.13 0.00 0.00 31.29 32.82 2ckj h VAL 808 CO -0.00 0.35 -0.34 0.58 -1.23 0.00 0.00 177.57 176.92 2ckj h VAL 809 N 0.00 1.57 -0.39 7.19 2.07 -1.55 -3.35 116.25 121.79 2ckj h VAL 809 Ca -0.00 -2.31 0.06 0.00 0.82 0.00 0.00 66.70 65.27 2ckj h VAL 809 Cb 0.76 3.09 -0.09 0.00 -1.52 0.00 0.00 31.29 33.53 2ckj h VAL 809 CO 0.05 0.54 -0.45 0.28 0.02 0.00 0.00 177.57 178.00 2ckj h SER 810 N -0.99 -1.50 -0.82 0.57 0.02 -1.14 -1.66 113.55 108.04 2ckj h SER 810 Ca -0.09 0.22 0.07 0.00 -0.84 0.00 0.00 61.79 61.15 2ckj h SER 810 Cb 1.09 0.64 -0.10 0.00 0.14 0.00 0.00 62.40 64.17 2ckj h SER 810 CO -0.05 -0.38 -0.51 0.00 -1.14 0.00 0.00 176.83 174.75 2ckj h THR 811 N -0.35 0.00 -0.31 -2.27 1.03 -1.48 0.26 112.91 109.78 2ckj h THR 811 Ca 0.12 0.00 0.06 0.00 -0.01 0.00 0.00 66.41 66.58 2ckj h THR 811 Cb 0.59 0.00 -0.05 0.00 -1.07 0.00 0.00 68.15 67.62 2ckj h THR 811 CO -0.57 0.00 -0.04 0.00 -0.01 0.00 0.00 175.52 174.90 2ckj h ALA 812 N 0.26 0.24 -0.45 0.00 0.00 -1.46 -2.69 119.26 115.16 2ckj h ALA 812 Ca 0.13 0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.19 2ckj h ALA 812 Cb 0.37 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 2ckj h ALA 812 CO -0.79 -0.44 0.21 0.28 0.00 0.00 0.00 179.25 178.51 2ckj h VAL 813 N 0.04 0.94 -0.74 0.00 2.07 -0.68 -2.76 116.25 115.12 2ckj h VAL 813 Ca 0.15 -0.14 0.11 0.00 0.82 0.00 0.00 66.70 67.64 2ckj h VAL 813 Cb 0.22 0.49 -0.12 0.00 -1.52 0.00 0.00 31.29 30.35 2ckj h VAL 813 CO -0.29 0.08 -0.43 0.00 0.02 0.00 0.00 177.57 176.95 2ckj h ALA 814 N 1.25 -0.18 -0.44 1.67 0.00 -0.18 -1.76 119.26 119.62 2ckj h ALA 814 Ca 0.20 0.16 0.04 0.00 0.00 0.00 0.00 54.91 55.31 2ckj h ALA 814 Cb 0.13 1.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 2ckj h ALA 814 CO -0.16 -0.77 0.21 1.25 0.00 0.00 0.00 179.25 179.78 2ckj h LEU 815 N -0.13 0.29 -0.87 0.00 5.85 -1.27 0.28 115.31 119.45 2ckj h LEU 815 Ca 0.23 0.03 0.13 0.00 0.84 0.00 0.00 57.88 59.11 2ckj h LEU 815 Cb 0.55 -0.02 -0.09 0.00 0.37 0.00 0.00 40.66 41.48 2ckj h LEU 815 CO -0.80 0.20 0.49 0.00 -0.34 0.00 0.00 178.44 177.99 2ckj h ALA 816 N 1.25 1.30 -0.37 1.25 0.00 -1.33 0.13 119.26 121.49 2ckj h ALA 816 Ca 0.20 0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.19 2ckj h ALA 816 Cb 0.13 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 2ckj h ALA 816 CO -0.15 0.02 0.18 0.00 0.00 0.00 0.00 179.25 179.30 2ckj h ALA 817 N 1.53 0.46 -0.33 0.00 0.00 -0.08 -2.20 119.26 118.64 2ckj h ALA 817 Ca 0.45 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.41 2ckj h ALA 817 Cb 0.55 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 2ckj h ALA 817 CO -0.31 -0.18 0.12 -0.92 0.00 0.00 0.00 179.25 177.96 2ckj h TYR 818 N 0.38 0.22 0.67 0.00 3.20 -0.48 0.13 116.97 121.09 2ckj h TYR 818 Ca 0.16 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.01 2ckj h TYR 818 Cb 0.07 -0.05 0.01 0.00 1.54 0.00 0.00 36.73 38.29 2ckj h TYR 818 CO -0.10 0.10 -0.32 -0.22 -1.64 0.00 0.00 178.16 175.98 2ckj h LYS 819 N 0.27 -0.87 0.00 1.82 1.63 -0.94 -3.36 116.57 115.13 2ckj h LYS 819 Ca 0.14 0.06 0.00 0.00 -0.85 0.00 0.00 60.65 60.00 2ckj h LYS 819 Cb 0.10 0.20 0.00 0.00 -0.60 0.00 0.00 32.23 31.93 2ckj h LYS 819 CO -0.14 -0.58 -0.11 0.25 -3.45 0.00 0.00 179.45 175.43 2ckj n THR 820 N -5.09 0.54 -0.84 1.00 -2.24 -0.83 -4.92 114.28 101.90 2ckj n THR 820 Ca -0.11 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 2ckj n THR 820 Cb 0.35 -0.50 0.00 0.00 -2.10 0.00 0.00 70.33 68.08 2ckj n THR 820 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ckj n GLY 821 N 1.32 0.54 3.35 3.38 0.00 0.45 -4.98 105.19 109.25 2ckj n GLY 821 Ca 0.05 -0.36 -0.10 0.00 0.00 0.00 0.00 46.02 45.61 2ckj n GLY 821 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2ckj s ARG 822 N -0.75 1.12 0.38 1.61 1.70 -1.22 -4.91 118.95 116.88 2ckj s ARG 822 Ca 0.00 -0.83 -0.28 0.00 -0.47 0.00 0.00 55.73 54.16 2ckj s ARG 822 Cb 0.00 0.46 -0.11 0.00 -0.57 0.00 0.00 34.95 34.73 2ckj s ARG 822 CO 0.00 -0.44 1.49 -1.25 -1.08 0.00 0.00 175.30 174.02 2ckj s PRO 823 N -3.85 4.07 -0.02 3.89 0.04 -1.26 -4.51 135.00 133.37 2ckj s PRO 823 Ca 0.06 2.59 0.00 0.00 0.04 0.00 0.00 61.00 63.69 2ckj s PRO 823 Cb 0.02 -2.95 0.02 0.00 0.04 0.00 0.00 34.50 31.63 2ckj s PRO 823 CO -0.08 -0.57 0.02 0.08 0.04 0.00 0.00 177.00 176.48 2ckj s VAL 824 N -1.12 0.00 0.27 -0.36 1.01 -0.73 -1.29 120.40 118.18 2ckj s VAL 824 Ca 0.53 0.13 0.10 0.00 0.00 0.00 0.00 61.98 62.75 2ckj s VAL 824 Cb -0.47 -0.10 -0.05 0.00 0.00 0.00 0.00 36.38 35.76 2ckj s VAL 824 CO 0.63 0.08 -0.16 0.00 0.00 0.00 0.00 175.10 175.65 2ckj s ARG 825 N 0.76 1.61 0.01 2.72 1.70 -0.80 -0.01 118.95 124.94 2ckj s ARG 825 Ca -0.07 -1.76 -0.25 0.00 -0.47 0.00 0.00 55.73 53.19 2ckj s ARG 825 Cb -0.09 -1.54 0.06 0.00 -0.57 0.00 0.00 34.95 32.80 2ckj s ARG 825 CO -0.02 0.24 0.56 0.00 -1.08 0.00 0.00 175.30 174.99 2ckj s MET 827 N -1.93 0.57 0.49 0.00 0.00 -1.26 -1.88 119.30 115.29 2ckj s MET 827 Ca -0.08 0.69 -0.19 0.00 0.00 0.00 0.00 55.69 56.11 2ckj s MET 827 Cb -0.01 0.27 -0.08 0.00 0.00 0.00 0.00 34.83 35.00 2ckj s MET 827 CO 0.03 -0.07 1.00 -0.51 0.00 0.00 0.00 175.02 175.47 2ckj s LEU 828 N 0.31 3.78 0.69 4.11 1.43 -1.08 -5.01 118.68 122.90 2ckj s LEU 828 Ca -0.00 1.76 -0.11 0.00 -1.03 0.00 0.00 54.13 54.75 2ckj s LEU 828 Cb -0.04 -4.54 0.01 0.00 0.03 0.00 0.00 46.19 41.65 2ckj s LEU 828 CO 0.00 -0.66 1.06 -1.81 0.23 0.00 0.00 176.35 175.17 2ckj s ASP 829 N -2.39 5.44 0.07 2.29 1.01 -1.26 -4.76 116.67 117.07 2ckj s ASP 829 Ca 0.63 1.57 -0.19 0.00 0.71 0.00 0.00 52.55 55.27 2ckj s ASP 829 Cb -0.13 -2.46 -0.10 0.00 1.01 0.00 0.00 42.92 41.25 2ckj s ASP 829 CO 0.22 -1.40 1.50 -0.09 0.21 0.00 0.00 175.17 175.61 2ckj h ARG 830 N -0.69 0.38 -1.00 8.23 2.43 -1.84 -2.62 114.38 119.28 2ckj h ARG 830 Ca -0.44 -0.13 0.28 0.00 -0.81 0.00 0.00 59.98 58.89 2ckj h ARG 830 Cb 1.21 -0.03 -0.19 0.00 -0.42 0.00 0.00 29.97 30.54 2ckj h ARG 830 CO 0.58 0.59 0.05 -0.40 -1.51 0.00 0.00 179.97 179.28 2ckj n ASP 831 N -4.66 -0.09 -0.21 -3.80 5.68 -1.25 -1.60 116.55 110.62 2ckj n ASP 831 Ca -0.04 1.69 -0.09 0.00 -0.50 0.00 0.00 54.79 55.85 2ckj n ASP 831 Cb 0.24 -0.63 0.02 0.00 -1.14 0.00 0.00 41.12 39.62 2ckj n ASP 831 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 2ckj h GLU 832 N 0.00 1.04 0.10 0.11 5.08 -1.84 -3.27 114.58 115.80 2ckj h GLU 832 Ca 0.62 -0.31 -0.00 0.00 -1.00 0.00 0.00 59.36 58.67 2ckj h GLU 832 Cb 1.31 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2ckj h GLU 832 CO -0.93 1.00 -0.05 0.22 -1.00 0.00 0.00 179.01 178.26 2ckj h ASP 833 N 0.94 -0.11 0.50 1.42 3.58 -1.19 -2.35 116.42 119.21 2ckj h ASP 833 Ca 0.18 -0.27 0.00 0.00 0.42 0.00 0.00 57.03 57.36 2ckj h ASP 833 Cb 0.51 0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.58 2ckj h ASP 833 CO 0.02 0.21 0.00 0.24 -2.88 0.00 0.00 179.24 176.84 2ckj h MET 834 N -0.44 0.00 0.00 0.28 2.86 -1.35 -2.69 114.93 113.59 2ckj h MET 834 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2ckj h MET 834 Cb 0.37 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.03 2ckj h MET 834 CO 0.02 0.00 0.00 -0.11 1.06 0.00 0.00 176.91 177.88 2ckj n LEU 835 N -2.30 2.62 -0.34 1.22 7.94 -0.92 -4.42 117.00 120.80 2ckj n LEU 835 Ca 0.01 0.00 0.04 0.00 -1.11 0.00 0.00 56.01 54.95 2ckj n LEU 835 Cb 0.17 0.00 0.11 0.00 0.53 0.00 0.00 43.42 44.23 2ckj n LEU 835 CO 0.17 0.00 0.60 -0.38 -1.11 0.00 0.00 177.39 176.66 2ckj n ILE 836 N -0.57 -0.41 0.07 1.96 5.41 -0.98 -3.31 119.36 121.53 2ckj n ILE 836 Ca 0.00 2.13 -0.03 0.00 1.00 0.00 0.00 62.75 65.85 2ckj n ILE 836 Cb 0.00 -2.92 -0.07 0.00 -0.71 0.00 0.00 39.64 35.93 2ckj n ILE 836 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 176.55 177.26 2ckj h THR 837 N 0.00 1.18 -3.01 1.39 1.35 -1.74 -3.44 112.91 108.64 2ckj h THR 837 Ca 0.42 -2.78 0.34 0.00 -0.55 0.00 0.00 66.41 63.84 2ckj h THR 837 Cb 0.65 2.56 -0.12 0.00 -1.73 0.00 0.00 68.15 69.50 2ckj h THR 837 CO -0.95 0.67 -0.72 0.61 -0.25 0.00 0.00 175.52 174.88 2ckj n GLY 838 N 1.35 -2.38 0.00 5.82 0.00 -1.21 -4.79 105.19 103.97 2ckj n GLY 838 Ca -0.03 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.84 2ckj n GLY 838 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ckj n GLY 839 N -4.08 3.89 3.77 -0.02 0.00 -1.26 -4.68 105.19 102.79 2ckj n GLY 839 Ca -0.02 -2.15 -0.38 0.00 0.00 0.00 0.00 46.02 43.46 2ckj n GLY 839 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2ckj s ARG 840 N -1.18 3.82 0.14 1.61 3.52 -0.41 -1.53 118.95 124.92 2ckj s ARG 840 Ca 0.00 2.01 -0.31 0.00 -0.13 0.00 0.00 55.73 57.30 2ckj s ARG 840 Cb 0.00 -2.59 -0.10 0.00 -1.56 0.00 0.00 34.95 30.70 2ckj s ARG 840 CO 0.00 -0.57 1.69 -1.01 -0.81 0.00 0.00 175.30 174.60 2ckj s HIS 841 N -1.36 2.63 0.42 5.12 3.76 -1.26 -3.17 115.29 121.43 2ckj s HIS 841 Ca 0.60 0.33 -0.03 0.00 -0.15 0.00 0.00 55.06 55.81 2ckj s HIS 841 Cb -0.35 -4.04 -0.04 0.00 1.11 0.00 0.00 32.58 29.27 2ckj s HIS 841 CO 0.43 -4.08 0.68 -1.25 -0.85 0.00 0.00 174.74 169.68 2ckj s PRO 842 N 1.94 3.52 0.03 8.40 0.05 -1.26 -4.76 135.00 142.92 2ckj s PRO 842 Ca 0.75 -0.03 0.02 0.00 0.05 0.00 0.00 61.00 61.78 2ckj s PRO 842 Cb -0.44 -2.50 -0.02 0.00 0.05 0.00 0.00 34.50 31.59 2ckj s PRO 842 CO 0.33 -0.05 -0.06 -0.06 0.05 0.00 0.00 177.00 177.21 2ckj s PHE 843 N -2.55 0.53 -0.13 0.56 0.08 -0.88 -2.46 117.98 113.12 2ckj s PHE 843 Ca 0.44 -0.39 0.01 0.00 0.12 0.00 0.00 56.93 57.11 2ckj s PHE 843 Cb -0.10 -0.33 0.02 0.00 -0.57 0.00 0.00 43.02 42.04 2ckj s PHE 843 CO 0.41 -0.08 -0.16 -1.17 -0.10 0.00 0.00 175.22 174.12 2ckj s LEU 844 N -1.17 1.75 -0.02 -0.37 2.96 0.93 -1.51 118.68 121.25 2ckj s LEU 844 Ca -0.08 -0.47 0.02 0.00 -0.22 0.00 0.00 54.13 53.38 2ckj s LEU 844 Cb -0.08 -1.17 0.00 0.00 0.50 0.00 0.00 46.19 45.45 2ckj s LEU 844 CO 0.00 -0.01 -0.08 0.00 -1.32 0.00 0.00 176.35 174.94 2ckj s ALA 845 N 1.17 0.79 -0.14 5.97 0.00 -1.05 -1.91 121.76 126.58 2ckj s ALA 845 Ca -0.02 -0.29 -0.04 0.00 0.00 0.00 0.00 51.96 51.61 2ckj s ALA 845 Cb -0.14 -0.30 -0.03 0.00 0.00 0.00 0.00 23.12 22.64 2ckj s ALA 845 CO -0.05 0.12 0.01 1.03 0.00 0.00 0.00 175.76 176.86 2ckj s ARG 846 N 0.22 3.54 0.10 0.00 0.52 -1.19 -0.24 118.95 121.90 2ckj s ARG 846 Ca -0.03 -0.42 0.06 0.00 -0.52 0.00 0.00 55.73 54.81 2ckj s ARG 846 Cb -0.08 -2.97 -0.03 0.00 0.52 0.00 0.00 34.95 32.38 2ckj s ARG 846 CO 0.00 0.41 -0.16 1.52 0.02 0.00 0.00 175.30 177.10 2ckj s TYR 847 N -0.06 1.43 -0.04 -0.53 -0.00 0.11 -1.40 117.35 116.86 2ckj s TYR 847 Ca 0.04 -0.49 0.03 0.00 -0.00 0.00 0.00 57.07 56.65 2ckj s TYR 847 Cb -0.13 -0.77 0.00 0.00 -0.00 0.00 0.00 41.96 41.06 2ckj s TYR 847 CO 0.02 0.13 -0.14 0.21 -0.00 0.00 0.00 175.55 175.77 2ckj s LYS 848 N -2.16 1.56 -0.10 -3.49 2.20 0.11 -0.73 119.74 117.14 2ckj s LYS 848 Ca 0.04 -0.48 -0.03 0.00 -0.36 0.00 0.00 55.97 55.14 2ckj s LYS 848 Cb -0.08 -1.35 0.05 0.00 -1.51 0.00 0.00 37.83 34.94 2ckj s LYS 848 CO 0.03 0.15 0.16 0.54 -0.36 0.00 0.00 175.35 175.87 2ckj s VAL 849 N 0.24 -0.25 -0.18 4.02 0.11 0.14 -0.23 120.40 124.26 2ckj s VAL 849 Ca -0.06 0.30 -0.10 0.00 -2.93 0.00 0.00 61.98 59.18 2ckj s VAL 849 Cb -0.12 -0.33 -0.05 0.00 -1.53 0.00 0.00 36.38 34.35 2ckj s VAL 849 CO 0.02 0.10 0.16 -0.83 -3.33 0.00 0.00 175.10 171.22 2ckj s GLY 850 N 2.28 2.09 -0.03 6.54 0.00 0.14 -3.30 107.32 115.05 2ckj s GLY 850 Ca 0.03 -0.64 -0.18 0.00 0.00 0.00 0.00 44.72 43.93 2ckj s GLY 850 CO -0.06 0.09 0.39 -0.11 0.00 0.00 0.00 173.10 173.40 2ckj s PHE 851 N 0.11 -0.28 0.85 1.90 -0.12 -1.10 -1.39 117.98 117.95 2ckj s PHE 851 Ca 0.11 0.46 -0.12 0.00 -0.05 0.00 0.00 56.93 57.33 2ckj s PHE 851 Cb -0.12 0.16 0.10 0.00 -0.63 0.00 0.00 43.02 42.54 2ckj s PHE 851 CO 0.00 -0.43 1.13 -1.64 -0.05 0.00 0.00 175.22 174.24 2ckj s MET 852 N -1.25 1.66 0.00 1.99 -1.94 0.52 -2.17 119.30 118.12 2ckj s MET 852 Ca -0.13 0.36 0.27 0.00 -1.71 0.00 0.00 55.69 54.49 2ckj s MET 852 Cb -0.04 -1.89 0.92 0.00 2.01 0.00 0.00 34.83 35.82 2ckj s MET 852 CO 0.05 -1.85 1.67 0.36 -0.01 0.00 0.00 175.02 175.24 2ckj n LYS 853 N -3.54 0.79 0.20 2.03 2.85 -1.26 -2.12 118.16 117.10 2ckj n LYS 853 Ca 0.07 -0.41 0.05 0.00 -1.05 0.00 0.00 58.31 56.97 2ckj n LYS 853 Cb 0.59 -1.49 0.43 0.00 -0.65 0.00 0.00 35.03 33.90 2ckj n LYS 853 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 177.40 179.14 2ckj h THR 854 N 0.99 1.12 0.00 0.58 1.35 -1.99 -3.48 112.91 111.48 2ckj h THR 854 Ca 0.00 -1.10 0.00 0.00 -0.55 0.00 0.00 66.41 64.76 2ckj h THR 854 Cb 0.46 1.61 0.00 0.00 -1.73 0.00 0.00 68.15 68.49 2ckj h THR 854 CO 0.00 0.30 0.00 0.61 -0.25 0.00 0.00 175.52 176.18 2ckj n GLY 855 N -0.51 0.66 3.69 5.82 0.00 -0.90 -4.98 105.19 108.97 2ckj n GLY 855 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 2ckj n GLY 855 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ckj s THR 856 N -2.00 3.58 0.15 2.61 2.01 -1.26 -4.78 115.64 115.96 2ckj s THR 856 Ca 0.00 1.02 -0.12 0.00 0.31 0.00 0.00 61.69 62.89 2ckj s THR 856 Cb 0.00 -3.65 -0.07 0.00 0.01 0.00 0.00 72.50 68.79 2ckj s THR 856 CO 0.00 0.01 0.52 0.54 -0.69 0.00 0.00 174.62 175.00 2ckj s VAL 857 N 2.17 4.92 0.00 3.82 0.11 -1.26 -0.35 120.40 129.80 2ckj s VAL 857 Ca 0.65 0.66 0.00 0.00 -2.93 0.00 0.00 61.98 60.36 2ckj s VAL 857 Cb -0.33 -3.69 0.00 0.00 -1.53 0.00 0.00 36.38 30.83 2ckj s VAL 857 CO 0.28 0.17 0.00 0.52 -3.33 0.00 0.00 175.10 172.74 2ckj n VAL 858 N 0.58 0.00 -3.73 2.04 0.31 -0.48 -4.77 118.33 112.28 2ckj n VAL 858 Ca -0.04 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.15 2ckj n VAL 858 Cb 0.52 -0.38 -0.09 0.00 -0.91 0.00 0.00 33.84 32.98 2ckj n VAL 858 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2ckj s ALA 859 N -1.53 -1.01 -0.05 3.52 0.00 -0.96 -4.00 121.76 117.73 2ckj s ALA 859 Ca 0.00 0.99 -0.05 0.00 0.00 0.00 0.00 51.96 52.90 2ckj s ALA 859 Cb 0.00 -0.48 0.01 0.00 0.00 0.00 0.00 23.12 22.66 2ckj s ALA 859 CO 0.00 -0.22 0.14 -1.17 0.00 0.00 0.00 175.76 174.51 2ckj s LEU 860 N -0.19 1.47 -0.03 0.00 2.96 -0.93 0.28 118.68 122.24 2ckj s LEU 860 Ca -0.04 0.28 -0.00 0.00 -0.22 0.00 0.00 54.13 54.15 2ckj s LEU 860 Cb -0.03 0.48 0.03 0.00 0.50 0.00 0.00 46.19 47.16 2ckj s LEU 860 CO 0.02 -0.05 0.02 -0.70 -1.32 0.00 0.00 176.35 174.32 2ckj s GLU 861 N 0.07 0.13 -0.02 1.98 2.12 0.69 -1.71 118.70 121.95 2ckj s GLU 861 Ca -0.00 0.15 0.01 0.00 0.36 0.00 0.00 54.97 55.49 2ckj s GLU 861 Cb -0.01 -0.39 0.01 0.00 0.26 0.00 0.00 34.13 34.00 2ckj s GLU 861 CO 0.00 -0.17 -0.03 0.08 -0.54 0.00 0.00 175.26 174.60 2ckj s VAL 862 N 1.16 0.35 -0.23 3.70 1.01 -0.79 0.09 120.40 125.69 2ckj s VAL 862 Ca -0.08 -0.08 -0.03 0.00 0.00 0.00 0.00 61.98 61.79 2ckj s VAL 862 Cb -0.13 -0.37 0.01 0.00 0.00 0.00 0.00 36.38 35.89 2ckj s VAL 862 CO -0.02 0.15 -0.06 -1.81 0.00 0.00 0.00 175.10 173.35 2ckj s ASP 863 N 0.56 4.19 -0.13 3.32 1.01 -0.49 -2.90 116.67 122.22 2ckj s ASP 863 Ca -0.06 -0.61 -0.06 0.00 0.71 0.00 0.00 52.55 52.52 2ckj s ASP 863 Cb -0.10 -1.68 -0.04 0.00 1.01 0.00 0.00 42.92 42.11 2ckj s ASP 863 CO -0.01 -0.07 0.08 -1.00 0.21 0.00 0.00 175.17 174.39 2ckj s HIS 864 N 1.40 3.39 -0.27 4.23 3.76 -1.08 -3.20 115.29 123.52 2ckj s HIS 864 Ca 0.04 0.32 -0.01 0.00 -0.15 0.00 0.00 55.06 55.26 2ckj s HIS 864 Cb -0.15 -1.95 0.15 0.00 1.11 0.00 0.00 32.58 31.74 2ckj s HIS 864 CO -0.05 0.49 0.41 -0.06 -0.85 0.00 0.00 174.74 174.69 2ckj s PHE 865 N -0.54 -0.99 0.00 1.40 0.40 -0.80 -0.64 117.98 116.81 2ckj s PHE 865 Ca 0.11 0.73 0.00 0.00 -0.60 0.00 0.00 56.93 57.17 2ckj s PHE 865 Cb -0.12 0.01 0.00 0.00 0.51 0.00 0.00 43.02 43.42 2ckj s PHE 865 CO 0.02 -0.84 0.00 0.45 0.70 0.00 0.00 175.22 175.55 2ckj n SER 866 N 5.37 0.00 -4.61 1.36 2.88 -1.24 -0.05 113.62 117.33 2ckj n SER 866 Ca -0.02 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.10 2ckj n SER 866 Cb 0.50 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.91 2ckj n SER 866 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 2ckj s ASN 867 N 0.00 6.67 -0.10 -3.46 3.84 -1.03 -2.64 114.94 118.22 2ckj s ASN 867 Ca 0.00 0.65 -0.26 0.00 0.21 0.00 0.00 52.86 53.47 2ckj s ASN 867 Cb 0.00 -2.42 -0.28 0.00 -0.55 0.00 0.00 41.25 38.00 2ckj s ASN 867 CO 0.00 -0.66 0.80 0.58 -2.79 0.00 0.00 177.10 175.03 2ckj h VAL 868 N 5.64 1.65 0.00 -5.21 2.07 -1.53 -3.41 116.25 115.47 2ckj h VAL 868 Ca -0.24 -2.42 0.00 0.00 0.82 0.00 0.00 66.70 64.86 2ckj h VAL 868 Cb 1.09 3.28 0.00 0.00 -1.52 0.00 0.00 31.29 34.15 2ckj h VAL 868 CO 0.90 0.65 0.00 0.61 0.02 0.00 0.00 177.57 179.75 2ckj n GLY 869 N 1.63 -0.42 1.36 2.17 0.00 -1.25 -1.19 105.19 107.50 2ckj n GLY 869 Ca -0.12 -1.67 -0.02 0.00 0.00 0.00 0.00 46.02 44.21 2ckj n GLY 869 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2ckj n ASN 870 N 0.21 3.69 -3.60 1.61 6.94 -0.68 -2.46 115.26 120.97 2ckj n ASN 870 Ca 0.00 -3.35 -0.12 0.00 -0.02 0.00 0.00 54.58 51.08 2ckj n ASN 870 Cb 0.00 -0.65 -0.06 0.00 -2.36 0.00 0.00 39.78 36.71 2ckj n ASN 870 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 2ckj s THR 871 N -3.04 0.00 0.04 5.53 -1.32 -1.26 -4.90 115.64 110.69 2ckj s THR 871 Ca 0.47 0.00 -0.31 0.00 -1.21 0.00 0.00 61.69 60.64 2ckj s THR 871 Cb 0.40 -1.00 -0.18 0.00 -1.51 0.00 0.00 72.50 70.21 2ckj s THR 871 CO 0.07 0.00 1.38 -0.61 -2.21 0.00 0.00 174.62 173.26 2ckj h GLN 872 N 3.83 -0.98 0.00 7.08 4.15 -1.95 -3.45 115.11 123.80 2ckj h GLN 872 Ca -0.26 0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.23 2ckj h GLN 872 Cb 1.16 0.22 0.00 0.00 0.21 0.00 0.00 27.48 29.07 2ckj h GLN 872 CO 0.19 -0.63 0.00 -3.47 -1.93 0.00 0.00 178.83 172.98 2ckj n ASP 873 N -5.48 -2.63 0.13 -0.69 -0.08 -1.26 -2.55 116.55 103.99 2ckj n ASP 873 Ca -0.14 0.00 0.01 0.00 -1.51 0.00 0.00 54.79 53.16 2ckj n ASP 873 Cb 0.41 0.00 0.07 0.00 2.34 0.00 0.00 41.12 43.94 2ckj n ASP 873 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 2ckj n LEU 874 N 0.00 0.07 -0.18 -2.67 4.77 -1.26 -4.13 117.00 113.60 2ckj n LEU 874 Ca 0.00 0.27 0.29 0.00 -0.03 0.00 0.00 56.01 56.54 2ckj n LEU 874 Cb 0.00 -0.11 0.72 0.00 -2.33 0.00 0.00 43.42 41.70 2ckj n LEU 874 CO 0.00 -0.29 1.27 0.28 -1.33 0.00 0.00 177.39 177.31 2ckj h SER 875 N 0.00 0.00 0.36 -1.43 0.02 -1.79 -0.37 113.55 110.34 2ckj h SER 875 Ca 0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 2ckj h SER 875 Cb 1.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.74 2ckj h SER 875 CO 0.00 0.00 -0.17 -0.61 -1.14 0.00 0.00 176.83 174.91 2ckj h GLN 876 N 0.00 -0.46 -0.00 3.45 4.15 -1.83 -2.46 115.11 117.96 2ckj h GLN 876 Ca 0.43 0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.88 2ckj h GLN 876 Cb 1.81 0.10 -0.00 0.00 0.21 0.00 0.00 27.48 29.61 2ckj h GLN 876 CO -0.00 -0.15 0.04 0.77 -1.93 0.00 0.00 178.83 177.56 2ckj h SER 877 N -0.81 0.00 -0.15 -0.69 0.02 -1.40 -1.85 113.55 108.68 2ckj h SER 877 Ca -0.05 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.86 2ckj h SER 877 Cb 0.53 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.06 2ckj h SER 877 CO 0.08 0.00 -0.09 0.40 -1.14 0.00 0.00 176.83 176.08 2ckj h ILE 878 N 0.00 1.32 -0.38 3.27 2.04 -1.41 -2.15 117.51 120.21 2ckj h ILE 878 Ca 0.00 -1.16 0.00 0.00 1.00 0.00 0.00 64.86 64.71 2ckj h ILE 878 Cb 0.09 1.77 -0.02 0.00 -0.74 0.00 0.00 36.82 37.92 2ckj h ILE 878 CO -0.00 0.34 0.25 -0.03 0.00 0.00 0.00 178.15 178.71 2ckj h MET 879 N -0.02 0.50 0.25 2.37 4.05 -0.86 -0.09 114.93 121.13 2ckj h MET 879 Ca 0.03 -0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 59.41 2ckj h MET 879 Cb 0.57 -0.11 0.00 0.00 -0.80 0.00 0.00 31.60 31.26 2ckj h MET 879 CO 0.02 0.34 -0.12 0.93 0.23 0.00 0.00 176.91 178.31 2ckj h GLU 880 N 0.52 -0.32 -0.40 0.39 5.08 -1.45 -1.81 114.58 116.60 2ckj h GLU 880 Ca 0.14 0.02 0.12 0.00 -1.00 0.00 0.00 59.36 58.64 2ckj h GLU 880 Cb -0.05 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 2ckj h GLU 880 CO -0.03 0.04 0.31 -0.09 -1.00 0.00 0.00 179.01 178.25 2ckj h ARG 881 N -0.80 0.00 -0.88 2.33 2.43 -0.64 1.62 114.38 118.43 2ckj h ARG 881 Ca -0.03 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.13 2ckj h ARG 881 Cb 0.51 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.02 2ckj h ARG 881 CO 0.06 0.00 0.51 0.00 -1.51 0.00 0.00 179.97 179.03 2ckj h ALA 882 N 1.74 1.13 0.50 2.80 0.00 -0.24 -3.18 119.26 122.01 2ckj h ALA 882 Ca 0.19 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 2ckj h ALA 882 Cb 0.82 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2ckj h ALA 882 CO -0.00 0.61 -0.24 -0.07 0.00 0.00 0.00 179.25 179.54 2ckj h LEU 883 N 1.22 -0.57 0.00 0.00 3.38 0.30 -1.49 115.31 118.16 2ckj h LEU 883 Ca 0.31 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.29 2ckj h LEU 883 Cb -0.02 0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.88 2ckj h LEU 883 CO -0.06 -0.15 0.56 0.49 0.09 0.00 0.00 178.44 179.37 2ckj n PHE 884 N -5.22 0.00 0.05 1.13 0.99 -0.59 -0.02 117.46 113.79 2ckj n PHE 884 Ca -0.09 0.00 0.01 0.00 -0.00 0.00 0.00 57.45 57.38 2ckj n PHE 884 Cb 0.27 0.00 0.02 0.00 -1.00 0.00 0.00 39.48 38.77 2ckj n PHE 884 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.76 177.48 2ckj n HIS 885 N -1.19 0.04 0.31 1.38 8.25 -0.58 -4.73 115.22 118.70 2ckj n HIS 885 Ca 0.00 -0.20 0.20 0.00 -0.26 0.00 0.00 57.72 57.46 2ckj n HIS 885 Cb 0.56 -0.02 1.08 0.00 1.12 0.00 0.00 29.99 32.73 2ckj n HIS 885 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2ckj h MET 886 N 0.50 0.00 0.00 -0.41 -0.00 -0.23 -2.28 114.93 112.51 2ckj h MET 886 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 59.70 59.63 2ckj h MET 886 Cb 0.29 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.88 2ckj h MET 886 CO 0.00 0.00 -0.45 0.38 -0.00 0.00 0.00 176.91 176.84 2ckj h ASP 887 N 0.00 0.00 0.00 -0.10 2.03 -1.85 -3.41 116.42 113.09 2ckj h ASP 887 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2ckj h ASP 887 Cb 0.10 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.60 2ckj h ASP 887 CO 0.00 0.32 0.00 -3.20 -1.03 0.00 0.00 179.24 175.33 2ckj n ASN 888 N -3.12 0.00 -1.24 4.15 5.15 -0.86 -0.97 115.26 118.37 2ckj n ASN 888 Ca 0.02 0.00 -0.00 0.00 -0.60 0.00 0.00 54.58 53.99 2ckj n ASN 888 Cb 0.67 0.00 0.12 0.00 -0.53 0.00 0.00 39.78 40.04 2ckj n ASN 888 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2ckj s TYR 890 N -2.61 2.62 0.23 0.00 1.51 -0.14 -2.48 117.35 116.47 2ckj s TYR 890 Ca 0.39 -1.09 -0.30 0.00 -1.01 0.00 0.00 57.07 55.06 2ckj s TYR 890 Cb 0.38 -1.75 -0.09 0.00 -0.11 0.00 0.00 41.96 40.39 2ckj s TYR 890 CO -0.07 -0.45 1.01 -1.59 -1.11 0.00 0.00 175.55 173.34 2ckj s LYS 891 N 0.48 4.75 -0.37 -0.62 -2.85 -0.82 -4.76 119.74 115.54 2ckj s LYS 891 Ca -0.15 1.61 0.01 0.00 -1.00 0.00 0.00 55.97 56.44 2ckj s LYS 891 Cb -0.17 -3.26 0.18 0.00 -2.06 0.00 0.00 37.83 32.52 2ckj s LYS 891 CO 0.06 0.34 0.79 -1.50 0.10 0.00 0.00 175.35 175.14 2ckj s ILE 892 N -0.94 -0.69 -2.10 3.79 2.07 -1.26 -4.88 121.20 117.19 2ckj s ILE 892 Ca 0.44 0.00 0.14 0.00 -1.41 0.00 0.00 60.65 59.82 2ckj s ILE 892 Cb -0.28 -0.05 0.35 0.00 0.13 0.00 0.00 42.46 42.61 2ckj s ILE 892 CO 0.35 0.00 1.39 -0.81 -1.91 0.00 0.00 174.94 173.96 2ckj n PRO 893 N 4.23 1.57 -3.64 3.50 -0.05 -1.26 -4.50 135.00 134.85 2ckj n PRO 893 Ca 0.09 -0.88 -0.05 0.00 -0.05 0.00 0.00 63.50 62.61 2ckj n PRO 893 Cb 0.59 -1.28 -0.07 0.00 -0.05 0.00 0.00 33.50 32.69 2ckj n PRO 893 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 175.50 174.65 2ckj s ASN 894 N -1.28 -0.70 -0.29 3.54 0.01 -1.26 -4.07 114.94 110.90 2ckj s ASN 894 Ca 0.24 1.26 -0.15 0.00 -0.71 0.00 0.00 52.86 53.50 2ckj s ASN 894 Cb 0.13 1.82 0.12 0.00 0.41 0.00 0.00 41.25 43.73 2ckj s ASN 894 CO 0.18 -0.23 0.81 -0.51 -1.51 0.00 0.00 177.10 175.85 2ckj s ILE 895 N 2.76 -0.25 -0.20 0.60 2.07 -0.72 -2.19 121.20 123.27 2ckj s ILE 895 Ca -0.03 0.00 -0.02 0.00 -1.41 0.00 0.00 60.65 59.19 2ckj s ILE 895 Cb -0.12 -1.00 0.06 0.00 0.13 0.00 0.00 42.46 41.53 2ckj s ILE 895 CO -0.16 0.00 0.01 -0.60 -1.91 0.00 0.00 174.94 172.28 2ckj s ARG 896 N 1.88 0.93 -0.16 3.50 3.52 -0.70 -2.82 118.95 125.11 2ckj s ARG 896 Ca -0.08 -0.56 -0.02 0.00 -0.13 0.00 0.00 55.73 54.94 2ckj s ARG 896 Cb -0.06 -2.20 -0.02 0.00 -1.56 0.00 0.00 34.95 31.11 2ckj s ARG 896 CO -0.18 -0.61 -0.07 0.20 -0.81 0.00 0.00 175.30 173.83 2ckj s GLY 897 N 1.74 1.64 0.50 8.12 0.00 -0.96 -1.88 107.32 116.47 2ckj s GLY 897 Ca -0.02 -0.91 0.05 0.00 0.00 0.00 0.00 44.72 43.84 2ckj s GLY 897 CO -0.07 -0.02 0.27 -0.51 0.00 0.00 0.00 173.10 172.77 2ckj s THR 898 N 0.57 1.78 -0.16 0.90 -4.23 -1.14 -0.04 115.64 113.31 2ckj s THR 898 Ca -0.05 -1.64 -0.28 0.00 -1.18 0.00 0.00 61.69 58.54 2ckj s THR 898 Cb -0.15 -2.41 0.09 0.00 1.34 0.00 0.00 72.50 71.37 2ckj s THR 898 CO 0.03 0.00 0.81 -0.83 -0.54 0.00 0.00 174.62 174.09 2ckj s GLY 899 N -4.10 -0.44 0.23 3.99 0.00 0.14 -2.63 107.32 104.51 2ckj s GLY 899 Ca 0.31 1.85 0.07 0.00 0.00 0.00 0.00 44.72 46.94 2ckj s GLY 899 CO 0.18 1.30 0.16 0.50 0.00 0.00 0.00 173.10 175.24 2ckj s ARG 900 N -0.58 2.86 -0.54 2.90 1.81 0.19 -2.54 118.95 123.06 2ckj s ARG 900 Ca -0.04 -1.03 -0.02 0.00 -1.72 0.00 0.00 55.73 52.91 2ckj s ARG 900 Cb -0.02 -2.55 0.14 0.00 -0.45 0.00 0.00 34.95 32.07 2ckj s ARG 900 CO 0.04 0.42 0.34 -0.51 -0.68 0.00 0.00 175.30 174.90 2ckj s LEU 901 N -3.61 5.16 -0.15 2.53 1.43 -1.26 -4.29 118.68 118.50 2ckj s LEU 901 Ca 0.32 -2.57 -0.25 0.00 -1.03 0.00 0.00 54.13 50.61 2ckj s LEU 901 Cb -0.08 -1.82 -0.02 0.00 0.03 0.00 0.00 46.19 44.29 2ckj s LEU 901 CO 0.24 -0.42 0.79 0.00 0.23 0.00 0.00 176.35 177.19 2ckj s LYS 903 N 1.83 4.33 0.14 0.00 2.20 -1.26 -1.29 119.74 125.70 2ckj s LYS 903 Ca 0.37 1.93 -0.06 0.00 -0.36 0.00 0.00 55.97 57.86 2ckj s LYS 903 Cb -0.17 -3.43 -0.02 0.00 -1.51 0.00 0.00 37.83 32.70 2ckj s LYS 903 CO 0.14 -0.46 0.18 0.95 -0.36 0.00 0.00 175.35 175.80 2ckj s THR 904 N 1.73 0.09 -1.39 3.43 -4.23 -1.03 -4.78 115.64 109.46 2ckj s THR 904 Ca 0.62 -1.57 -0.08 0.00 -1.18 0.00 0.00 61.69 59.48 2ckj s THR 904 Cb -0.32 -1.85 0.08 0.00 1.34 0.00 0.00 72.50 71.75 2ckj s THR 904 CO 0.28 -0.42 2.34 0.59 -0.54 0.00 0.00 174.62 176.87 2ckj n ASN 905 N -0.15 6.89 -4.05 3.99 5.03 -0.50 -2.74 115.26 123.73 2ckj n ASN 905 Ca -0.08 -2.99 -0.10 0.00 0.87 0.00 0.00 54.58 52.28 2ckj n ASN 905 Cb 0.63 -1.47 -0.11 0.00 -1.02 0.00 0.00 39.78 37.82 2ckj n ASN 905 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 2ckj s LEU 906 N -0.64 2.32 0.64 3.41 1.43 -1.26 -4.26 118.68 120.32 2ckj s LEU 906 Ca 0.52 -0.65 -0.18 0.00 -1.03 0.00 0.00 54.13 52.79 2ckj s LEU 906 Cb 0.15 -0.00 -0.01 0.00 0.03 0.00 0.00 46.19 46.36 2ckj s LEU 906 CO -0.06 -0.33 1.29 -2.16 0.23 0.00 0.00 176.35 175.32 2ckj s PRO 907 N -2.15 2.58 0.09 1.29 0.04 -1.26 -1.68 135.00 133.90 2ckj s PRO 907 Ca -0.07 2.04 -0.31 0.00 0.04 0.00 0.00 61.00 62.70 2ckj s PRO 907 Cb -0.06 -1.85 -0.08 0.00 0.04 0.00 0.00 34.50 32.55 2ckj s PRO 907 CO -0.02 -1.57 1.48 0.45 0.04 0.00 0.00 177.00 177.38 2ckj s SER 908 N -1.42 6.74 0.58 6.66 0.15 -1.26 -4.46 113.70 120.68 2ckj s SER 908 Ca 0.82 2.37 -0.15 0.00 0.70 0.00 0.00 55.95 59.69 2ckj s SER 908 Cb -0.37 -2.58 -0.05 0.00 -1.71 0.00 0.00 66.02 61.32 2ckj s SER 908 CO 0.39 -0.75 1.02 0.20 1.20 0.00 0.00 173.24 175.30 2ckj s ASN 909 N 1.59 6.16 0.00 5.45 0.01 -0.33 -4.55 114.94 123.27 2ckj s ASN 909 Ca 0.68 1.62 0.00 0.00 -0.71 0.00 0.00 52.86 54.44 2ckj s ASN 909 Cb -0.37 -2.51 0.00 0.00 0.41 0.00 0.00 41.25 38.78 2ckj s ASN 909 CO 0.30 -0.91 0.00 1.07 -1.51 0.00 0.00 177.10 176.05 2ckj n THR 910 N -2.12 0.00 -1.95 1.60 5.66 -0.58 -4.77 114.28 112.12 2ckj n THR 910 Ca 0.07 0.00 -0.41 0.00 -3.05 0.00 0.00 64.05 60.66 2ckj n THR 910 Cb 0.54 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 69.31 2ckj n THR 910 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2ckj s ALA 911 N -2.00 3.54 -0.18 1.79 0.00 -1.26 -4.45 121.76 119.20 2ckj s ALA 911 Ca 0.00 1.42 -0.06 0.00 0.00 0.00 0.00 51.96 53.32 2ckj s ALA 911 Cb 0.00 -3.55 0.09 0.00 0.00 0.00 0.00 23.12 19.66 2ckj s ALA 911 CO 0.00 -0.86 0.37 0.12 0.00 0.00 0.00 175.76 175.39 2ckj s PHE 912 N -1.11 -0.69 0.00 0.00 5.99 -1.26 -1.56 117.98 119.36 2ckj s PHE 912 Ca 0.51 1.29 0.00 0.00 0.00 0.00 0.00 56.93 58.73 2ckj s PHE 912 Cb -0.43 0.17 0.00 0.00 0.00 0.00 0.00 43.02 42.76 2ckj s PHE 912 CO 0.58 -0.47 0.00 -2.13 -0.00 0.00 0.00 175.22 173.20 2ckj n ARG 913 N 5.38 0.00 0.00 10.12 0.63 -1.13 -1.46 116.66 130.19 2ckj n ARG 913 Ca -0.07 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.86 2ckj n ARG 913 Cb 0.50 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.41 2ckj n ARG 913 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2ckj n GLY 914 N 0.03 3.52 2.35 5.14 0.00 -1.26 -4.88 105.19 110.08 2ckj n GLY 914 Ca 0.00 -0.81 -0.16 0.00 0.00 0.00 0.00 46.02 45.06 2ckj n GLY 914 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2ckj n PHE 915 N 0.00 -0.53 -0.48 1.61 -0.00 -0.54 -1.99 117.46 115.53 2ckj n PHE 915 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 2ckj n PHE 915 Cb 0.00 -3.10 0.00 0.00 -0.00 0.00 0.00 39.48 36.38 2ckj n PHE 915 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2ckj n GLY 916 N -1.02 0.75 0.18 7.13 0.00 -1.26 -4.51 105.19 106.45 2ckj n GLY 916 Ca -0.18 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.62 2ckj n GLY 916 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2ckj h GLY 917 N 0.00 0.72 2.00 -0.02 0.00 -1.64 -3.17 103.07 100.96 2ckj h GLY 917 Ca 0.00 -1.46 -0.04 0.00 0.00 0.00 0.00 47.33 45.84 2ckj h GLY 917 CO 0.00 1.28 -0.18 -0.56 0.00 0.00 0.00 176.54 177.08 2ckj h PRO 918 N 0.30 0.00 -6.19 4.80 0.13 -1.83 -3.39 132.00 125.82 2ckj h PRO 918 Ca -0.18 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.39 2ckj h PRO 918 Cb 1.88 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.98 2ckj h PRO 918 CO 0.23 0.18 0.86 -0.65 -0.23 0.00 0.00 178.00 178.39 2ckj s GLN 919 N -3.60 4.26 0.00 0.86 1.11 -1.20 -4.36 119.66 116.73 2ckj s GLN 919 Ca 0.01 1.66 0.00 0.00 0.01 0.00 0.00 55.36 57.04 2ckj s GLN 919 Cb 0.10 -3.72 0.00 0.00 -1.01 0.00 0.00 33.01 28.38 2ckj s GLN 919 CO 0.62 -0.65 0.00 0.41 0.01 0.00 0.00 175.29 175.69 2ckj n GLY 920 N 3.55 0.00 1.20 3.09 0.00 -1.26 -4.79 105.19 106.98 2ckj n GLY 920 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 2ckj n GLY 920 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2ckj n MET 921 N 0.01 0.00 0.00 1.61 2.00 -1.19 -4.28 117.12 115.27 2ckj n MET 921 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 2ckj n MET 921 Cb 0.00 -2.40 0.00 0.00 0.00 0.00 0.00 33.22 30.82 2ckj n MET 921 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 175.97 175.86 2ckj n LEU 922 N -0.72 0.00 0.00 4.03 -0.00 -1.26 -4.65 117.00 114.39 2ckj n LEU 922 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 2ckj n LEU 922 Cb 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.90 2ckj n LEU 922 CO 0.00 0.00 0.16 -0.38 -0.00 0.00 0.00 177.39 177.17 2ckj n ILE 923 N 0.00 0.00 -2.15 1.96 2.08 -1.26 -4.00 119.36 115.99 2ckj n ILE 923 Ca 0.00 0.83 -0.42 0.00 0.56 0.00 0.00 62.75 63.72 2ckj n ILE 923 Cb 0.00 -1.57 -0.03 0.00 -0.75 0.00 0.00 39.64 37.29 2ckj n ILE 923 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2ckj s ALA 924 N -2.51 3.60 0.00 -1.39 0.00 -1.26 -2.47 121.76 117.72 2ckj s ALA 924 Ca 0.00 1.11 0.00 0.00 0.00 0.00 0.00 51.96 53.07 2ckj s ALA 924 Cb 0.00 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.57 2ckj s ALA 924 CO 0.00 -0.68 0.00 0.39 0.00 0.00 0.00 175.76 175.47 2ckj n GLU 925 N 4.20 0.00 0.00 0.00 -0.58 -1.26 -3.18 120.64 119.83 2ckj n GLU 925 Ca 0.12 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.86 2ckj n GLU 925 Cb 0.42 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.29 2ckj n GLU 925 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2ckj n TRP 927 N -0.63 0.00 0.31 0.00 -0.00 -1.26 -1.24 117.44 114.61 2ckj n TRP 927 Ca 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 57.50 57.32 2ckj n TRP 927 Cb 0.00 -0.01 -0.09 0.00 -0.00 0.00 0.00 31.31 31.21 2ckj n TRP 927 CO 0.00 0.00 0.00 1.98 -0.00 0.00 0.00 177.69 179.67 2ckj h MET 928 N 0.00 -0.90 0.00 5.87 4.05 -1.82 -2.47 114.93 119.65 2ckj h MET 928 Ca 0.00 0.06 0.00 0.00 -0.28 0.00 0.00 59.70 59.48 2ckj h MET 928 Cb 0.00 0.21 0.00 0.00 -0.80 0.00 0.00 31.60 31.01 2ckj h MET 928 CO 0.00 -0.60 0.00 -1.13 0.23 0.00 0.00 176.91 175.41 2ckj n SER 929 N -5.53 0.37 0.11 1.39 3.41 -0.99 -1.26 113.62 111.11 2ckj n SER 929 Ca -0.12 0.60 -0.19 0.00 -0.26 0.00 0.00 58.87 58.90 2ckj n SER 929 Cb 0.42 -0.68 -0.15 0.00 -0.26 0.00 0.00 64.21 63.55 2ckj n SER 929 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2ckj h GLU 930 N 0.00 0.36 0.00 4.33 5.08 -1.00 -2.85 114.58 120.50 2ckj h GLU 930 Ca 0.00 -0.62 0.00 0.00 -1.00 0.00 0.00 59.36 57.74 2ckj h GLU 930 Cb 0.25 0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.73 2ckj h GLU 930 CO 0.00 1.27 0.00 0.28 -1.00 0.00 0.00 179.01 179.56 2ckj n VAL 931 N -3.57 0.00 0.19 3.13 0.31 -0.39 -1.74 118.33 116.25 2ckj n VAL 931 Ca -0.14 1.12 0.01 0.00 -0.01 0.00 0.00 64.34 65.32 2ckj n VAL 931 Cb 1.06 -2.03 0.04 0.00 -0.91 0.00 0.00 33.84 31.99 2ckj n VAL 931 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2ckj h ALA 932 N -1.95 1.54 0.08 3.52 0.00 -1.51 0.26 119.26 121.20 2ckj h ALA 932 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.56 2ckj h ALA 932 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 2ckj h ALA 932 CO 0.00 -0.54 -1.95 0.28 0.00 0.00 0.00 179.25 177.04 2ckj n VAL 933 N -1.88 1.68 -0.16 0.00 0.31 -1.08 -2.16 118.33 115.04 2ckj n VAL 933 Ca -0.00 -0.50 -0.03 0.00 -0.01 0.00 0.00 64.34 63.80 2ckj n VAL 933 Cb 0.75 -1.76 0.06 0.00 -0.91 0.00 0.00 33.84 31.98 2ckj n VAL 933 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 2ckj h THR 934 N -0.22 0.86 -0.04 2.52 2.02 0.35 -2.88 112.91 115.52 2ckj h THR 934 Ca -0.45 -0.14 -0.00 0.00 0.77 0.00 0.00 66.41 66.59 2ckj h THR 934 Cb 1.84 0.43 -0.00 0.00 -1.74 0.00 0.00 68.15 68.68 2ckj h THR 934 CO -0.03 0.07 0.02 0.00 0.37 0.00 0.00 175.52 175.95 2ckj n GLY 936 N -0.68 -0.27 0.00 0.00 0.00 -0.92 -5.08 105.19 98.24 2ckj n GLY 936 Ca -0.07 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 44.98 2ckj n GLY 936 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2ckj n MET 937 N 2.07 0.00 -1.20 1.61 0.00 -1.25 -5.00 117.12 113.36 2ckj n MET 937 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 57.70 57.27 2ckj n MET 937 Cb 0.00 -0.00 -0.04 0.00 0.00 0.00 0.00 33.22 33.18 2ckj n MET 937 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 175.97 175.62 2ckj n PRO 938 N 0.00 0.00 -0.30 3.17 -0.04 -1.26 -4.81 135.00 131.76 2ckj n PRO 938 Ca 0.00 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.56 2ckj n PRO 938 Cb 0.00 -0.96 0.27 0.00 -0.04 0.00 0.00 33.50 32.77 2ckj n PRO 938 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2ckj h ALA 939 N 1.33 1.34 -0.01 0.55 0.00 -1.98 -1.98 119.26 118.51 2ckj h ALA 939 Ca -0.29 0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.77 2ckj h ALA 939 Cb 1.20 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 19.04 2ckj h ALA 939 CO 0.50 -0.24 -0.45 1.49 0.00 0.00 0.00 179.25 180.55 2ckj h GLU 940 N 0.48 -0.53 -0.52 0.00 4.22 -1.95 -2.94 114.58 113.34 2ckj h GLU 940 Ca 0.51 0.04 0.14 0.00 0.08 0.00 0.00 59.36 60.12 2ckj h GLU 940 Cb 0.88 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.22 2ckj h GLU 940 CO -0.46 -0.35 0.37 1.49 -2.18 0.00 0.00 179.01 177.88 2ckj h GLU 941 N -0.55 0.09 -0.10 1.92 4.81 -1.72 -2.20 114.58 116.83 2ckj h GLU 941 Ca 0.01 -0.01 -0.20 0.00 -0.13 0.00 0.00 59.36 59.03 2ckj h GLU 941 Cb 0.59 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.96 2ckj h GLU 941 CO -0.31 0.06 -0.76 0.28 -0.73 0.00 0.00 179.01 177.55 2ckj h VAL 942 N 0.09 1.34 -0.02 0.32 2.07 -1.41 -2.38 116.25 116.26 2ckj h VAL 942 Ca 0.25 -2.09 -0.05 0.00 0.82 0.00 0.00 66.70 65.63 2ckj h VAL 942 Cb 0.87 2.08 0.00 0.00 -1.52 0.00 0.00 31.29 32.72 2ckj h VAL 942 CO -0.02 0.64 -0.18 0.03 0.02 0.00 0.00 177.57 178.06 2ckj h ARG 943 N 0.37 0.15 -0.58 1.57 3.08 -1.35 -3.14 114.38 114.48 2ckj h ARG 943 Ca -0.04 -0.14 0.12 0.00 0.07 0.00 0.00 59.98 59.99 2ckj h ARG 943 Cb 1.36 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 31.41 2ckj h ARG 943 CO 0.14 0.84 0.40 -0.09 -1.07 0.00 0.00 179.97 180.19 2ckj h ARG 944 N -0.50 0.25 -0.06 0.04 2.43 -1.48 -0.70 114.38 114.35 2ckj h ARG 944 Ca -0.02 -0.01 -0.15 0.00 -0.81 0.00 0.00 59.98 58.98 2ckj h ARG 944 Cb 0.89 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.37 2ckj h ARG 944 CO 0.04 0.16 -0.64 -0.22 -1.51 0.00 0.00 179.97 177.80 2ckj h LYS 945 N 0.26 0.24 -0.92 0.20 3.64 -1.38 -3.23 116.57 115.38 2ckj h LYS 945 Ca 0.27 -0.18 -0.51 0.00 -1.27 0.00 0.00 60.65 58.97 2ckj h LYS 945 Cb 0.73 0.03 -0.42 0.00 -0.41 0.00 0.00 32.23 32.16 2ckj h LYS 945 CO -0.06 0.80 -0.86 0.27 -2.27 0.00 0.00 179.45 177.33 2ckj n ASN 946 N -3.85 4.20 -4.72 4.20 2.04 -0.28 -5.04 115.26 111.81 2ckj n ASN 946 Ca -0.03 -3.44 -0.42 0.00 -0.44 0.00 0.00 54.58 50.26 2ckj n ASN 946 Cb 0.64 -0.40 -0.03 0.00 -2.53 0.00 0.00 39.78 37.46 2ckj n ASN 946 CO 0.00 0.00 0.00 -0.76 -0.44 0.00 0.00 177.26 176.06 2ckj s LEU 947 N -3.58 4.42 0.35 -4.53 1.43 -1.18 -1.95 118.68 113.62 2ckj s LEU 947 Ca 0.45 1.89 -0.11 0.00 -1.03 0.00 0.00 54.13 55.33 2ckj s LEU 947 Cb 0.40 -3.58 -0.09 0.00 0.03 0.00 0.00 46.19 42.94 2ckj s LEU 947 CO -0.03 -0.29 -0.13 -1.22 0.23 0.00 0.00 176.35 174.92 2ckj n TYR 948 N 3.39 -1.95 -4.15 0.29 4.01 -1.04 -4.63 117.16 113.08 2ckj n TYR 948 Ca 0.06 0.24 -0.10 0.00 -0.16 0.00 0.00 57.90 57.94 2ckj n TYR 948 Cb 0.48 -1.02 -0.10 0.00 -0.31 0.00 0.00 39.34 38.39 2ckj n TYR 948 CO 0.00 0.00 0.00 -1.59 -0.46 0.00 0.00 176.86 174.81 2ckj s LYS 949 N -0.69 0.79 -0.26 -0.72 -2.85 -1.26 -4.95 119.74 109.80 2ckj s LYS 949 Ca 0.34 -1.32 -0.37 0.00 -1.00 0.00 0.00 55.97 53.62 2ckj s LYS 949 Cb -0.28 -0.07 -0.13 0.00 -2.06 0.00 0.00 37.83 35.29 2ckj s LYS 949 CO 0.42 -0.06 1.95 -1.91 0.10 0.00 0.00 175.35 175.85 2ckj n GLU 950 N -0.02 1.41 -0.47 1.78 4.07 -1.26 -0.93 120.64 125.22 2ckj n GLU 950 Ca -0.12 0.48 0.00 0.00 -0.06 0.00 0.00 57.16 57.46 2ckj n GLU 950 Cb 0.61 -2.39 0.00 0.00 -0.06 0.00 0.00 31.44 29.60 2ckj n GLU 950 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2ckj n GLY 951 N 5.15 0.73 3.83 8.31 0.00 -0.87 -5.05 105.19 117.30 2ckj n GLY 951 Ca 0.31 -0.30 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 2ckj n GLY 951 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ckj s ASP 952 N -2.28 2.18 -0.05 1.61 1.01 -0.11 -4.65 116.67 114.38 2ckj s ASP 952 Ca 0.00 0.28 0.04 0.00 0.71 0.00 0.00 52.55 53.58 2ckj s ASP 952 Cb 0.00 -0.29 -0.00 0.00 1.01 0.00 0.00 42.92 43.63 2ckj s ASP 952 CO 0.00 -3.32 -0.17 -1.48 0.21 0.00 0.00 175.17 170.41 2ckj s LEU 953 N -6.28 1.90 1.00 1.23 0.05 -1.26 -1.83 118.68 113.49 2ckj s LEU 953 Ca 0.75 -0.36 -0.16 0.00 0.05 0.00 0.00 54.13 54.41 2ckj s LEU 953 Cb -0.04 -0.98 -0.02 0.00 -2.05 0.00 0.00 46.19 43.09 2ckj s LEU 953 CO 0.54 0.14 -0.18 0.35 -0.55 0.00 0.00 176.35 176.65 2ckj n THR 954 N 3.21 0.00 0.24 5.48 -2.24 -1.18 -4.76 114.28 115.03 2ckj n THR 954 Ca -0.18 -0.28 0.03 0.00 -2.27 0.00 0.00 64.05 61.34 2ckj n THR 954 Cb 0.53 -0.39 0.13 0.00 -2.10 0.00 0.00 70.33 68.50 2ckj n THR 954 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2ckj n HIS 955 N -3.44 0.00 -0.40 4.78 1.44 -1.26 -0.09 115.22 116.25 2ckj n HIS 955 Ca 0.02 0.00 0.05 0.00 -2.01 0.00 0.00 57.72 55.79 2ckj n HIS 955 Cb 0.58 -0.31 0.13 0.00 0.12 0.00 0.00 29.99 30.50 2ckj n HIS 955 CO 0.00 0.00 0.00 1.97 -2.81 0.00 0.00 176.34 175.50 2ckj n PHE 956 N -1.31 0.35 -2.86 -1.40 1.16 -1.26 -4.71 117.46 107.43 2ckj n PHE 956 Ca 0.02 -0.64 -0.15 0.00 -1.87 0.00 0.00 57.45 54.82 2ckj n PHE 956 Cb 0.04 -0.10 0.03 0.00 -1.61 0.00 0.00 39.48 37.84 2ckj n PHE 956 CO 0.00 0.00 0.00 0.09 -1.87 0.00 0.00 176.76 174.98 2ckj n ASN 957 N -0.25 -4.62 -4.75 5.98 3.02 0.87 -4.63 115.26 110.89 2ckj n ASN 957 Ca 0.11 -0.23 -0.35 0.00 -0.03 0.00 0.00 54.58 54.08 2ckj n ASN 957 Cb 0.49 -3.42 -0.08 0.00 -0.61 0.00 0.00 39.78 36.16 2ckj n ASN 957 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 2ckj s GLN 958 N -5.42 3.98 0.21 3.52 0.74 -1.26 -4.81 119.66 116.63 2ckj s GLN 958 Ca 0.24 -0.21 -0.30 0.00 0.05 0.00 0.00 55.36 55.13 2ckj s GLN 958 Cb -0.11 -3.34 -0.10 0.00 1.10 0.00 0.00 33.01 30.57 2ckj s GLN 958 CO 0.30 0.41 1.43 0.21 -0.55 0.00 0.00 175.29 177.09 2ckj s LYS 959 N 0.03 4.29 -1.03 1.67 2.20 -1.26 -3.09 119.74 122.54 2ckj s LYS 959 Ca 0.09 2.25 -0.18 0.00 -0.36 0.00 0.00 55.97 57.77 2ckj s LYS 959 Cb -0.11 -3.14 0.14 0.00 -1.51 0.00 0.00 37.83 33.20 2ckj s LYS 959 CO -0.00 -0.42 1.26 -0.51 -0.36 0.00 0.00 175.35 175.31 2ckj s LEU 960 N 0.04 4.91 0.47 5.43 1.43 -0.76 -5.00 118.68 125.19 2ckj s LEU 960 Ca 0.61 -2.30 -0.01 0.00 -1.03 0.00 0.00 54.13 51.40 2ckj s LEU 960 Cb -0.41 -2.42 -0.01 0.00 0.03 0.00 0.00 46.19 43.39 2ckj s LEU 960 CO 0.39 -1.00 0.71 -1.61 0.23 0.00 0.00 176.35 175.07 2ckj s GLU 961 N 2.56 3.13 0.00 1.70 2.02 -1.26 -2.05 118.70 124.81 2ckj s GLU 961 Ca 0.37 -0.31 0.00 0.00 0.02 0.00 0.00 54.97 55.06 2ckj s GLU 961 Cb -0.04 -2.50 0.00 0.00 0.10 0.00 0.00 34.13 31.70 2ckj s GLU 961 CO -0.06 -0.30 0.00 0.41 0.02 0.00 0.00 175.26 175.33 2ckj n GLY 962 N -2.16 0.00 3.23 -1.39 0.00 -1.26 -4.86 105.19 98.74 2ckj n GLY 962 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 2ckj n GLY 962 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2ckj s PHE 963 N 0.00 3.11 -0.35 1.61 5.36 -1.26 -4.95 117.98 121.50 2ckj s PHE 963 Ca 0.00 -1.48 0.19 0.00 -0.96 0.00 0.00 56.93 54.67 2ckj s PHE 963 Cb 0.00 -2.11 -0.26 0.00 -0.34 0.00 0.00 43.02 40.32 2ckj s PHE 963 CO 0.00 -0.71 0.55 0.25 -1.46 0.00 0.00 175.22 173.85 2ckj n THR 964 N 4.70 0.00 -0.38 0.12 -2.24 -1.26 -4.64 114.28 110.57 2ckj n THR 964 Ca -0.16 -0.29 -0.04 0.00 -2.27 0.00 0.00 64.05 61.29 2ckj n THR 964 Cb 0.47 0.43 -0.01 0.00 -2.10 0.00 0.00 70.33 69.11 2ckj n THR 964 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 2ckj n LEU 965 N -1.88 -0.77 -0.36 3.22 7.94 -1.26 -1.29 117.00 122.60 2ckj n LEU 965 Ca -0.01 1.70 -0.02 0.00 -1.11 0.00 0.00 56.01 56.57 2ckj n LEU 965 Cb 0.41 -0.33 0.12 0.00 0.53 0.00 0.00 43.42 44.16 2ckj n LEU 965 CO 0.39 -1.47 1.28 1.55 -1.11 0.00 0.00 177.39 178.02 2ckj h PRO 966 N 0.00 1.29 -0.82 1.96 0.13 -1.95 -0.80 132.00 131.81 2ckj h PRO 966 Ca 0.27 -0.09 0.09 0.00 -0.87 0.00 0.00 66.00 65.41 2ckj h PRO 966 Cb 0.51 -0.28 -0.06 0.00 0.13 0.00 0.00 31.00 31.30 2ckj h PRO 966 CO -0.94 0.86 0.53 -0.09 -0.23 0.00 0.00 178.00 178.14 2ckj h ARG 967 N 1.32 0.75 -0.45 0.86 2.43 -1.52 0.23 114.38 118.00 2ckj h ARG 967 Ca 0.35 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.44 2ckj h ARG 967 Cb -0.13 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.23 2ckj h ARG 967 CO -0.07 0.50 0.14 0.00 -1.51 0.00 0.00 179.97 179.02 2ckj h TRP 969 N 0.59 -0.99 -0.60 0.00 2.91 -0.99 -2.13 115.95 114.75 2ckj h TRP 969 Ca 0.14 -0.02 0.05 0.00 1.13 0.00 0.00 58.89 60.19 2ckj h TRP 969 Cb 0.28 0.33 -0.05 0.00 -0.51 0.00 0.00 29.16 29.20 2ckj h TRP 969 CO 0.01 -0.62 0.32 1.49 -1.03 0.00 0.00 178.44 178.62 2ckj h GLU 970 N -1.15 0.59 0.00 2.65 4.57 -0.59 -1.71 114.58 118.94 2ckj h GLU 970 Ca -0.11 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.03 2ckj h GLU 970 Cb 0.82 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 29.28 2ckj h GLU 970 CO 0.18 0.39 0.00 -1.91 -1.18 0.00 0.00 179.01 176.49 2ckj n GLU 971 N -4.83 0.10 -0.05 1.92 2.13 -0.18 -2.98 120.64 116.76 2ckj n GLU 971 Ca 0.07 0.29 -0.22 0.00 0.66 0.00 0.00 57.16 57.96 2ckj n GLU 971 Cb 0.15 -1.68 -0.13 0.00 0.27 0.00 0.00 31.44 30.05 2ckj n GLU 971 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2ckj n LEU 973 N -3.79 0.24 0.00 0.00 4.32 -1.16 -0.34 117.00 116.27 2ckj n LEU 973 Ca -0.35 0.59 0.00 0.00 -0.02 0.00 0.00 56.01 56.23 2ckj n LEU 973 Cb 0.93 -0.60 0.00 0.00 -1.62 0.00 0.00 43.42 42.12 2ckj n LEU 973 CO 0.31 -0.59 0.00 0.00 -1.22 0.00 0.00 177.39 175.89 2ckj n ALA 974 N -1.61 0.00 -0.02 -1.18 0.00 -1.21 -2.85 120.51 113.64 2ckj n ALA 974 Ca 0.00 -0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 2ckj n ALA 974 Cb 0.06 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.49 2ckj n ALA 974 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2ckj h SER 975 N 0.00 -0.31 -0.66 0.00 4.64 -1.59 -2.13 113.55 113.50 2ckj h SER 975 Ca 0.00 0.07 0.19 0.00 -0.47 0.00 0.00 61.79 61.58 2ckj h SER 975 Cb 0.00 0.17 -0.03 0.00 -0.31 0.00 0.00 62.40 62.23 2ckj h SER 975 CO 0.00 -0.13 0.65 0.77 -0.87 0.00 0.00 176.83 177.25 2ckj h SER 976 N -0.09 0.00 -6.33 4.97 4.64 -0.88 -3.46 113.55 112.40 2ckj h SER 976 Ca 0.10 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.14 2ckj h SER 976 Cb 0.23 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.33 2ckj h SER 976 CO -0.22 0.00 -1.09 0.00 -0.87 0.00 0.00 176.83 174.65 2ckj n GLN 977 N -3.73 -1.81 0.00 4.77 10.64 -0.80 -4.97 117.38 121.48 2ckj n GLN 977 Ca 0.13 1.47 0.00 0.00 -1.83 0.00 0.00 57.00 56.77 2ckj n GLN 977 Cb 0.89 -2.46 0.00 0.00 -0.86 0.00 0.00 30.24 27.81 2ckj n GLN 977 CO 0.00 0.00 0.00 0.98 -1.83 0.00 0.00 177.06 176.21 2ckj n TYR 978 N 0.03 0.00 -2.18 2.61 9.36 -1.20 -3.54 117.16 122.25 2ckj n TYR 978 Ca -0.05 0.00 -0.40 0.00 3.32 0.00 0.00 57.90 60.78 2ckj n TYR 978 Cb 0.61 -0.43 -0.03 0.00 -0.63 0.00 0.00 39.34 38.86 2ckj n TYR 978 CO 0.00 0.00 0.00 -3.38 0.22 0.00 0.00 176.86 173.70 2ckj s HIS 979 N -1.65 1.86 0.07 2.98 -3.43 -1.26 -0.29 115.29 113.57 2ckj s HIS 979 Ca 0.00 0.58 0.00 0.00 -0.80 0.00 0.00 55.06 54.84 2ckj s HIS 979 Cb 0.00 -4.23 0.00 0.00 -1.43 0.00 0.00 32.58 26.92 2ckj s HIS 979 CO 0.00 -2.26 0.00 0.00 -2.00 0.00 0.00 174.74 170.48 2ckj n ALA 980 N 11.57 2.98 0.00 -1.38 0.00 -1.23 -4.89 120.51 127.56 2ckj n ALA 980 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.60 2ckj n ALA 980 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 2ckj n ALA 980 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2ckj n ARG 981 N -2.74 0.00 0.21 0.00 1.74 -1.07 0.14 116.66 114.94 2ckj n ARG 981 Ca 0.00 0.00 -0.17 0.00 -0.77 0.00 0.00 57.85 56.91 2ckj n ARG 981 Cb 0.00 0.00 -0.10 0.00 -1.02 0.00 0.00 32.46 31.34 2ckj n ARG 981 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 2ckj h LYS 982 N 0.00 -0.86 -0.42 5.56 1.63 -0.94 0.92 116.57 122.45 2ckj h LYS 982 Ca 0.00 0.06 0.08 0.00 -0.85 0.00 0.00 60.65 59.94 2ckj h LYS 982 Cb 0.00 0.20 -0.09 0.00 -0.60 0.00 0.00 32.23 31.73 2ckj h LYS 982 CO 0.00 -0.58 -0.32 1.03 -3.45 0.00 0.00 179.45 176.14 2ckj h SER 983 N -0.90 -1.06 -1.01 4.20 0.87 0.92 0.22 113.55 116.80 2ckj h SER 983 Ca -0.04 0.19 0.29 0.00 -1.23 0.00 0.00 61.79 61.01 2ckj h SER 983 Cb 0.82 0.50 -0.04 0.00 -0.44 0.00 0.00 62.40 63.25 2ckj h SER 983 CO -0.16 -0.31 0.81 -0.08 -0.53 0.00 0.00 176.83 176.55 2ckj h GLU 984 N -0.23 0.00 0.08 2.24 4.81 -0.92 -3.05 114.58 117.51 2ckj h GLU 984 Ca 0.18 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.41 2ckj h GLU 984 Cb 0.53 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.91 2ckj h GLU 984 CO -0.55 0.00 -0.04 0.28 -0.73 0.00 0.00 179.01 177.97 2ckj h VAL 985 N 0.00 0.00 -2.49 0.32 2.07 0.13 -3.21 116.25 113.07 2ckj h VAL 985 Ca 0.48 -0.09 -0.54 0.00 0.82 0.00 0.00 66.70 67.36 2ckj h VAL 985 Cb 2.09 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.86 2ckj h VAL 985 CO -0.01 0.00 1.17 1.51 0.02 0.00 0.00 177.57 180.27 2ckj s ASP 986 N -2.93 6.49 0.00 0.57 -4.77 -1.15 0.49 116.67 115.36 2ckj s ASP 986 Ca -0.02 2.34 0.00 0.00 -3.30 0.00 0.00 52.55 51.57 2ckj s ASP 986 Cb 0.00 -2.53 0.00 0.00 -1.09 0.00 0.00 42.92 39.30 2ckj s ASP 986 CO 0.05 -1.06 0.00 1.17 0.70 0.00 0.00 175.17 176.02 2ckj n LYS 987 N 7.43 0.00 -0.01 2.11 3.00 -1.26 -4.76 118.16 124.67 2ckj n LYS 987 Ca 0.19 0.00 -0.12 0.00 -0.00 0.00 0.00 58.31 58.38 2ckj n LYS 987 Cb 0.42 0.00 -0.07 0.00 0.00 0.00 0.00 35.03 35.38 2ckj n LYS 987 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.40 177.75 2ckj h PHE 988 N 0.00 0.11 -0.65 5.64 3.57 0.04 -2.67 116.94 122.97 2ckj h PHE 988 Ca 0.00 -0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.60 2ckj h PHE 988 Cb 0.00 -0.03 -0.08 0.00 2.79 0.00 0.00 35.95 38.63 2ckj h PHE 988 CO 0.00 0.27 0.24 -0.91 -2.23 0.00 0.00 178.31 175.68 2ckj h ASN 989 N -0.08 0.23 -0.05 0.41 2.35 -1.61 -2.36 115.58 114.46 2ckj h ASN 989 Ca 0.02 0.09 0.01 0.00 -0.55 0.00 0.00 56.30 55.87 2ckj h ASN 989 Cb 0.21 0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.64 2ckj h ASN 989 CO -0.00 0.12 -0.01 0.50 -1.65 0.00 0.00 177.43 176.39 2ckj h LYS 990 N 0.41 -0.00 0.00 0.81 3.64 -1.85 -3.26 116.57 116.33 2ckj h LYS 990 Ca 0.34 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.72 2ckj h LYS 990 Cb 0.45 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 2ckj h LYS 990 CO -0.34 -0.00 0.00 0.39 -2.27 0.00 0.00 179.45 177.23 2ckj n GLU 991 N -5.12 0.07 -5.13 1.90 1.02 -1.01 -4.84 120.64 107.54 2ckj n GLU 991 Ca -0.06 0.19 -0.30 0.00 -0.02 0.00 0.00 57.16 56.97 2ckj n GLU 991 Cb 0.05 -1.61 -0.16 0.00 -0.02 0.00 0.00 31.44 29.70 2ckj n GLU 991 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 2ckj s ASN 992 N -3.44 2.80 -0.17 1.62 0.01 -0.90 -4.96 114.94 109.89 2ckj s ASN 992 Ca 0.09 -0.47 0.16 0.00 -0.71 0.00 0.00 52.86 51.93 2ckj s ASN 992 Cb 0.13 -0.84 -0.24 0.00 0.41 0.00 0.00 41.25 40.70 2ckj s ASN 992 CO 0.42 0.21 0.18 0.00 -1.51 0.00 0.00 177.10 176.40 2ckj n TRP 994 N -2.85 0.00 -4.31 0.00 5.03 -1.26 -4.97 117.44 109.08 2ckj n TRP 994 Ca -0.30 0.00 -0.19 0.00 3.03 0.00 0.00 57.50 60.03 2ckj n TRP 994 Cb 1.13 0.00 -0.13 0.00 -1.03 0.00 0.00 31.31 31.28 2ckj n TRP 994 CO 0.00 0.00 0.00 0.15 -0.03 0.00 0.00 177.69 177.81 2ckj s LYS 995 N -0.45 0.88 0.05 -0.99 1.02 -1.26 -2.31 119.74 116.68 2ckj s LYS 995 Ca 0.00 -0.77 -0.05 0.00 0.02 0.00 0.00 55.97 55.17 2ckj s LYS 995 Cb 0.00 -0.88 -0.02 0.00 -0.52 0.00 0.00 37.83 36.42 2ckj s LYS 995 CO 0.00 0.21 0.09 0.15 -0.92 0.00 0.00 175.35 174.88 2ckj s LYS 996 N -1.21 0.65 0.31 1.68 -0.14 -1.08 -4.76 119.74 115.19 2ckj s LYS 996 Ca 0.00 -0.92 0.10 0.00 -1.36 0.00 0.00 55.97 53.80 2ckj s LYS 996 Cb -0.08 0.25 -0.05 0.00 -1.68 0.00 0.00 37.83 36.27 2ckj s LYS 996 CO 0.01 -0.16 -0.06 1.03 -0.76 0.00 0.00 175.35 175.40 2ckj s ARG 997 N -3.21 1.96 -0.05 1.68 0.52 -1.26 -0.91 118.95 117.68 2ckj s ARG 997 Ca 0.00 -1.73 -0.14 0.00 -0.52 0.00 0.00 55.73 53.34 2ckj s ARG 997 Cb 0.02 -1.89 0.03 0.00 0.52 0.00 0.00 34.95 33.63 2ckj s ARG 997 CO -0.07 0.23 0.31 0.20 0.02 0.00 0.00 175.30 175.98 2ckj s GLY 998 N -3.64 -0.18 0.04 -3.53 0.00 -0.02 -4.32 107.32 95.67 2ckj s GLY 998 Ca 0.33 0.50 0.00 0.00 0.00 0.00 0.00 44.72 45.55 2ckj s GLY 998 CO 0.18 0.32 -0.04 -2.27 0.00 0.00 0.00 173.10 171.29 2ckj s LEU 999 N -0.87 2.32 -0.19 0.66 2.96 -1.26 -1.16 118.68 121.14 2ckj s LEU 999 Ca -0.09 -0.66 -0.33 0.00 -0.22 0.00 0.00 54.13 52.82 2ckj s LEU 999 Cb -0.04 0.07 0.14 0.00 0.50 0.00 0.00 46.19 46.86 2ckj s LEU 999 CO 0.03 -0.37 1.18 0.00 -1.32 0.00 0.00 176.35 175.87 2ckj s ILE 1001N -2.08 -0.47 0.09 0.00 1.10 -1.26 -1.71 121.20 116.87 2ckj s ILE 1001Ca 0.08 0.05 0.09 0.00 -0.51 0.00 0.00 60.65 60.35 2ckj s ILE 1001Cb -0.01 -0.65 -0.03 0.00 0.15 0.00 0.00 42.46 41.92 2ckj s ILE 1001CO -0.05 -0.06 -0.23 -0.63 -2.11 0.00 0.00 174.94 171.87 2ckj s ILE 1002N 2.45 1.89 0.43 2.00 1.09 -0.77 -4.98 121.20 123.30 2ckj s ILE 1002Ca 0.06 -1.49 0.08 0.00 -1.10 0.00 0.00 60.65 58.20 2ckj s ILE 1002Cb -0.14 -1.67 -0.00 0.00 -1.06 0.00 0.00 42.46 39.58 2ckj s ILE 1002CO -0.12 0.10 0.47 -2.16 -0.10 0.00 0.00 174.94 173.12 2ckj s PRO 1003N -1.68 2.62 -0.21 2.79 0.04 -1.26 -1.71 135.00 135.59 2ckj s PRO 1003Ca 0.09 -1.46 -0.29 0.00 0.04 0.00 0.00 61.00 59.39 2ckj s PRO 1003Cb -0.10 -2.52 0.14 0.00 0.04 0.00 0.00 34.50 32.07 2ckj s PRO 1003CO 0.04 -0.27 1.09 -0.08 0.04 0.00 0.00 177.00 177.81 2ckj s THR 1004N -2.45 0.00 0.01 1.26 -1.32 -0.81 -4.91 115.64 107.42 2ckj s THR 1004Ca 0.51 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.99 2ckj s THR 1004Cb -0.06 -1.00 -0.01 0.00 -1.51 0.00 0.00 72.50 69.93 2ckj s THR 1004CO 0.30 0.00 -0.01 -1.59 -2.21 0.00 0.00 174.62 171.11 2ckj s LYS 1005N -0.85 0.11 -0.07 7.08 -2.85 -1.26 -1.90 119.74 120.00 2ckj s LYS 1005Ca 0.01 -0.19 -0.03 0.00 -1.00 0.00 0.00 55.97 54.77 2ckj s LYS 1005Cb -0.01 0.01 0.04 0.00 -2.06 0.00 0.00 37.83 35.81 2ckj s LYS 1005CO -0.02 -0.01 0.07 0.12 0.10 0.00 0.00 175.35 175.61 2ckj s PHE 1006N -0.44 0.08 0.19 1.78 5.36 -0.51 -4.94 117.98 119.50 2ckj s PHE 1006Ca -0.05 0.16 -0.31 0.00 -0.96 0.00 0.00 56.93 55.77 2ckj s PHE 1006Cb -0.03 -0.51 -0.09 0.00 -0.34 0.00 0.00 43.02 42.04 2ckj s PHE 1006CO -0.00 -0.26 1.44 0.20 -1.46 0.00 0.00 175.22 175.13 2ckj s GLY 1007N 2.17 2.09 -0.32 13.12 0.00 -1.26 -1.85 107.32 121.27 2ckj s GLY 1007Ca 0.04 1.26 -0.12 0.00 0.00 0.00 0.00 44.72 45.90 2ckj s GLY 1007CO -0.04 2.34 0.21 -0.42 0.00 0.00 0.00 173.10 175.19 2ckj s ILE 1008N 0.52 5.20 0.00 0.90 1.01 -0.67 -4.92 121.20 123.24 2ckj s ILE 1008Ca 0.63 -0.11 0.00 0.00 0.00 0.00 0.00 60.65 61.17 2ckj s ILE 1008Cb -0.40 -3.60 0.00 0.00 0.01 0.00 0.00 42.46 38.47 2ckj s ILE 1008CO 0.37 0.09 0.00 -1.20 0.00 0.00 0.00 174.94 174.20 2ckj n SER 1009N 5.07 0.00 -4.77 3.58 7.64 -1.26 -1.64 113.62 122.24 2ckj n SER 1009Ca -0.13 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.34 2ckj n SER 1009Cb 0.50 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.70 2ckj n SER 1009CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2ckj s PHE 1010N -2.00 2.63 0.08 1.43 0.40 -1.26 -4.96 117.98 114.30 2ckj s PHE 1010Ca 0.00 1.08 -0.30 0.00 -0.60 0.00 0.00 56.93 57.11 2ckj s PHE 1010Cb 0.00 -4.03 -0.16 0.00 0.51 0.00 0.00 43.02 39.33 2ckj s PHE 1010CO 0.00 -3.13 1.65 1.79 0.70 0.00 0.00 175.22 176.23 2ckj h THR 1011N 3.08 0.48 -2.06 0.64 1.35 -1.97 -3.40 112.91 111.03 2ckj h THR 1011Ca -0.50 0.00 -0.59 0.00 -0.55 0.00 0.00 66.41 64.77 2ckj h THR 1011Cb 1.23 0.48 0.01 0.00 -1.73 0.00 0.00 68.15 68.15 2ckj h THR 1011CO 0.68 0.00 1.21 0.52 -0.25 0.00 0.00 175.52 177.68 2ckj n VAL 1012N -5.38 0.59 -0.09 6.82 0.31 -1.26 -4.85 118.33 114.47 2ckj n VAL 1012Ca -0.11 -0.17 -0.05 0.00 -0.01 0.00 0.00 64.34 64.01 2ckj n VAL 1012Cb 0.29 -2.08 0.16 0.00 -0.91 0.00 0.00 33.84 31.30 2ckj n VAL 1012CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 2ckj h PRO 1013N 10.54 0.74 0.00 5.55 0.13 -1.94 -3.16 132.00 143.86 2ckj h PRO 1013Ca -0.47 -0.22 0.00 0.00 -0.87 0.00 0.00 66.00 64.44 2ckj h PRO 1013Cb 1.26 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2ckj h PRO 1013CO 0.95 0.80 0.00 1.97 -0.23 0.00 0.00 178.00 181.49 2ckj n PHE 1014N -4.19 0.00 0.97 1.56 1.16 -1.26 -1.71 117.46 113.98 2ckj n PHE 1014Ca 0.02 0.00 0.11 0.00 -1.87 0.00 0.00 57.45 55.71 2ckj n PHE 1014Cb 0.33 0.00 0.08 0.00 -1.61 0.00 0.00 39.48 38.28 2ckj n PHE 1014CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 2ckj n LEU 1015N -0.57 0.72 -3.24 5.98 4.77 -1.19 -4.54 117.00 118.92 2ckj n LEU 1015Ca 0.02 -0.21 -0.27 0.00 -0.03 0.00 0.00 56.01 55.51 2ckj n LEU 1015Cb 0.01 -0.13 -0.02 0.00 -2.33 0.00 0.00 43.42 40.94 2ckj n LEU 1015CO 0.01 0.17 2.56 0.59 -1.33 0.00 0.00 177.39 179.40 2ckj n ASN 1016N -1.53 5.52 -3.78 -1.43 3.02 -0.70 -4.79 115.26 111.57 2ckj n ASN 1016Ca 0.05 -2.41 -0.13 0.00 -0.03 0.00 0.00 54.58 52.06 2ckj n ASN 1016Cb 0.34 -1.20 -0.14 0.00 -0.61 0.00 0.00 39.78 38.17 2ckj n ASN 1016CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ckj s GLN 1017N 3.26 0.10 0.00 3.52 -2.07 -1.26 -0.95 119.66 122.26 2ckj s GLN 1017Ca 0.47 0.27 0.00 0.00 -1.82 0.00 0.00 55.36 54.28 2ckj s GLN 1017Cb 0.12 -0.08 0.00 0.00 -1.09 0.00 0.00 33.01 31.96 2ckj s GLN 1017CO -0.03 -0.10 0.00 0.00 -1.32 0.00 0.00 175.29 173.84 2ckj n ALA 1018N 3.71 0.00 -3.55 2.60 0.00 -1.13 -4.44 120.51 117.70 2ckj n ALA 1018Ca -0.21 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.14 2ckj n ALA 1018Cb 0.55 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.96 2ckj n ALA 1018CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2ckj s GLY 1019N -0.37 -0.36 0.24 0.00 0.00 -1.26 -1.75 107.32 103.82 2ckj s GLY 1019Ca 0.00 1.56 -0.12 0.00 0.00 0.00 0.00 44.72 46.17 2ckj s GLY 1019CO 0.00 0.70 0.43 0.00 0.00 0.00 0.00 173.10 174.23 2ckj s ALA 1020N -2.05 -0.11 -0.06 3.20 0.00 0.74 -2.24 121.76 121.23 2ckj s ALA 1020Ca 0.02 -0.94 -0.02 0.00 0.00 0.00 0.00 51.96 51.02 2ckj s ALA 1020Cb -0.01 1.08 0.03 0.00 0.00 0.00 0.00 23.12 24.23 2ckj s ALA 1020CO -0.03 -0.82 0.04 -1.17 0.00 0.00 0.00 175.76 173.78 2ckj s LEU 1021N -3.02 0.31 -0.11 0.00 2.96 -0.41 -0.51 118.68 117.89 2ckj s LEU 1021Ca 0.23 -0.02 -0.03 0.00 -0.22 0.00 0.00 54.13 54.10 2ckj s LEU 1021Cb 0.00 -0.25 -0.03 0.00 0.50 0.00 0.00 46.19 46.41 2ckj s LEU 1021CO 0.08 -0.24 -0.00 -0.22 -1.32 0.00 0.00 176.35 174.65 2ckj s LEU 1022N 2.10 3.52 0.03 -0.68 2.96 0.67 -1.41 118.68 125.87 2ckj s LEU 1022Ca 0.05 0.07 0.09 0.00 -0.22 0.00 0.00 54.13 54.12 2ckj s LEU 1022Cb -0.12 -1.82 -0.03 0.00 0.50 0.00 0.00 46.19 44.72 2ckj s LEU 1022CO -0.04 0.31 -0.26 -1.00 -1.32 0.00 0.00 176.35 174.04 2ckj s HIS 1023N -0.48 2.32 -0.18 5.38 3.76 -1.17 -1.56 115.29 123.37 2ckj s HIS 1023Ca 0.08 -0.42 -0.01 0.00 -0.15 0.00 0.00 55.06 54.57 2ckj s HIS 1023Cb -0.12 -1.41 0.00 0.00 1.11 0.00 0.00 32.58 32.16 2ckj s HIS 1023CO 0.02 0.08 -0.13 0.08 -0.85 0.00 0.00 174.74 173.95 2ckj s VAL 1024N -0.76 2.77 0.58 -0.90 1.01 -0.81 0.44 120.40 122.74 2ckj s VAL 1024Ca 0.11 -0.72 -0.07 0.00 0.00 0.00 0.00 61.98 61.30 2ckj s VAL 1024Cb -0.10 -2.20 -0.01 0.00 0.00 0.00 0.00 36.38 34.07 2ckj s VAL 1024CO 0.01 0.49 0.91 -0.31 0.00 0.00 0.00 175.10 176.21 2ckj s TYR 1025N 1.07 3.42 -2.00 5.22 1.51 -0.79 -4.82 117.35 120.96 2ckj s TYR 1025Ca -0.00 0.85 0.01 0.00 -1.01 0.00 0.00 57.07 56.91 2ckj s TYR 1025Cb -0.15 -2.65 0.04 0.00 -0.11 0.00 0.00 41.96 39.09 2ckj s TYR 1025CO -0.03 -0.68 0.22 0.25 -1.11 0.00 0.00 175.55 174.19 2ckj n THR 1026N -2.57 0.00 -0.32 -0.71 -2.24 -1.26 -2.04 114.28 105.15 2ckj n THR 1026Ca 0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 2ckj n THR 1026Cb 0.56 -0.60 0.00 0.00 -2.10 0.00 0.00 70.33 68.19 2ckj n THR 1026CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2ckj n ASP 1027N -0.63 1.02 0.00 3.42 3.85 -1.26 -4.64 116.55 118.31 2ckj n ASP 1027Ca 0.00 -1.33 0.00 0.00 -0.71 0.00 0.00 54.79 52.75 2ckj n ASP 1027Cb 0.00 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 39.77 2ckj n ASP 1027CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2ckj n GLY 1028N -0.17 2.14 3.77 6.12 0.00 -0.87 -4.99 105.19 111.19 2ckj n GLY 1028Ca 0.00 -0.02 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 2ckj n GLY 1028CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ckj s SER 1029N 0.31 5.87 -0.03 1.61 1.04 -1.26 -4.80 113.70 116.43 2ckj s SER 1029Ca 0.00 2.30 0.05 0.00 0.48 0.00 0.00 55.95 58.78 2ckj s SER 1029Cb 0.00 -2.60 -0.02 0.00 0.10 0.00 0.00 66.02 63.50 2ckj s SER 1029CO 0.00 -1.13 -0.18 -0.69 0.98 0.00 0.00 173.24 172.22 2ckj s VAL 1030N -1.61 2.72 -0.43 5.02 1.01 -1.02 -1.88 120.40 124.22 2ckj s VAL 1030Ca 0.69 -0.89 0.03 0.00 0.00 0.00 0.00 61.98 61.80 2ckj s VAL 1030Cb -0.28 -2.04 0.12 0.00 0.00 0.00 0.00 36.38 34.18 2ckj s VAL 1030CO 0.33 0.56 0.18 -0.22 0.00 0.00 0.00 175.10 175.95 2ckj s LEU 1031N -0.77 3.85 0.05 3.92 2.96 0.17 -2.49 118.68 126.37 2ckj s LEU 1031Ca 0.11 -2.55 -0.25 0.00 -0.22 0.00 0.00 54.13 51.23 2ckj s LEU 1031Cb -0.10 -1.42 -0.05 0.00 0.50 0.00 0.00 46.19 45.11 2ckj s LEU 1031CO 0.01 -0.30 0.77 -0.76 -1.32 0.00 0.00 176.35 174.75 2ckj s LEU 1032N 0.38 4.45 0.09 -0.68 1.43 -0.02 -3.03 118.68 121.31 2ckj s LEU 1032Ca 0.15 1.46 0.04 0.00 -1.03 0.00 0.00 54.13 54.74 2ckj s LEU 1032Cb -0.23 -3.24 -0.03 0.00 0.03 0.00 0.00 46.19 42.72 2ckj s LEU 1032CO -0.05 0.01 -0.10 0.28 0.23 0.00 0.00 176.35 176.72 2ckj s THR 1033N -0.06 0.93 0.29 5.49 -1.32 -0.50 -4.08 115.64 116.39 2ckj s THR 1033Ca 0.39 -1.58 -0.04 0.00 -1.21 0.00 0.00 61.69 59.25 2ckj s THR 1033Cb -0.21 -1.29 -0.01 0.00 -1.51 0.00 0.00 72.50 69.48 2ckj s THR 1033CO 0.23 -0.52 0.40 -1.38 -2.21 0.00 0.00 174.62 171.13 2ckj s HIS 1034N -2.29 0.98 0.29 9.09 -3.43 -1.26 -1.29 115.29 117.38 2ckj s HIS 1034Ca 0.04 -1.21 0.04 0.00 -0.80 0.00 0.00 55.06 53.13 2ckj s HIS 1034Cb -0.04 -0.17 0.67 0.00 -1.43 0.00 0.00 32.58 31.61 2ckj s HIS 1034CO 0.00 -0.99 1.80 0.78 -2.00 0.00 0.00 174.74 174.33 2ckj h GLY 1035N 2.24 1.74 -2.80 -1.38 0.00 -1.80 -3.45 103.07 97.62 2ckj h GLY 1035Ca -0.29 -0.39 -0.49 0.00 0.00 0.00 0.00 47.33 46.16 2ckj h GLY 1035CO 0.40 0.02 -0.48 -0.32 0.00 0.00 0.00 176.54 176.17 2ckj s GLY 1036N -3.64 1.53 0.03 4.60 0.00 -1.26 -4.91 107.32 103.67 2ckj s GLY 1036Ca -0.12 -1.48 0.07 0.00 0.00 0.00 0.00 44.72 43.20 2ckj s GLY 1036CO 0.81 -1.47 -0.19 -0.51 0.00 0.00 0.00 173.10 171.73 2ckj s THR 1037N -2.18 2.68 -0.39 0.90 -4.23 -1.26 -4.90 115.64 106.26 2ckj s THR 1037Ca 0.37 -1.19 -0.20 0.00 -1.18 0.00 0.00 61.69 59.49 2ckj s THR 1037Cb -0.07 -2.11 0.01 0.00 1.34 0.00 0.00 72.50 71.67 2ckj s THR 1037CO 0.26 0.36 0.63 -0.70 -0.54 0.00 0.00 174.62 174.64 2ckj s GLU 1038N -1.34 3.49 -0.23 3.99 2.56 -1.26 -4.90 118.70 121.02 2ckj s GLU 1038Ca 0.14 -0.16 0.15 0.00 0.00 0.00 0.00 54.97 55.10 2ckj s GLU 1038Cb -0.10 -3.87 0.70 0.00 2.00 0.00 0.00 34.13 32.85 2ckj s GLU 1038CO 0.04 -0.85 1.63 -1.33 -0.56 0.00 0.00 175.26 174.19 2ckj n MET 1039N 6.12 3.97 -1.27 4.30 2.81 -1.26 -0.80 117.12 130.99 2ckj n MET 1039Ca -0.02 -3.04 0.00 0.00 -1.81 0.00 0.00 57.70 52.83 2ckj n MET 1039Cb 0.48 -2.10 0.00 0.00 -0.71 0.00 0.00 33.22 30.90 2ckj n MET 1039CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2ckj n GLY 1040N 0.07 -0.16 0.02 3.03 0.00 -1.26 -3.66 105.19 103.23 2ckj n GLY 1040Ca 0.27 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2ckj n GLY 1040CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ckj n GLN 1041N -0.80 0.00 -2.23 1.61 0.00 -1.26 -3.03 117.38 111.66 2ckj n GLN 1041Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 57.00 56.83 2ckj n GLN 1041Cb 0.38 0.00 -0.01 0.00 0.00 0.00 0.00 30.24 30.61 2ckj n GLN 1041CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2ckj n GLY 1042N 0.00 -0.12 0.29 2.61 0.00 -1.26 -4.87 105.19 101.85 2ckj n GLY 1042Ca 0.00 -0.19 -0.05 0.00 0.00 0.00 0.00 46.02 45.79 2ckj n GLY 1042CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2ckj h LEU 1043N 0.00 0.87 -0.43 0.99 5.85 -1.97 0.19 115.31 120.82 2ckj h LEU 1043Ca -0.39 -0.03 -0.17 0.00 0.84 0.00 0.00 57.88 58.12 2ckj h LEU 1043Cb 1.27 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 42.08 2ckj h LEU 1043CO 0.47 0.65 -0.52 0.45 -0.34 0.00 0.00 178.44 179.14 2ckj h HIS 1044N 1.02 0.89 -0.03 1.25 3.86 -1.95 0.51 115.15 120.70 2ckj h HIS 1044Ca 0.27 -0.31 -0.12 0.00 -1.16 0.00 0.00 60.37 59.05 2ckj h HIS 1044Cb -0.10 -0.17 -0.02 0.00 1.06 0.00 0.00 27.41 28.19 2ckj h HIS 1044CO -0.02 1.09 -0.55 1.15 0.86 0.00 0.00 177.93 180.46 2ckj h THR 1045N 0.56 1.39 0.02 2.45 2.02 -1.82 0.41 112.91 117.93 2ckj h THR 1045Ca 0.02 -1.88 -0.25 0.00 0.77 0.00 0.00 66.41 65.07 2ckj h THR 1045Cb 1.10 1.99 0.01 0.00 -1.74 0.00 0.00 68.15 69.50 2ckj h THR 1045CO 0.11 0.54 -1.02 0.11 0.37 0.00 0.00 175.52 175.63 2ckj h LYS 1046N 0.06 0.48 -0.19 6.66 1.57 -0.09 -2.25 116.57 122.81 2ckj h LYS 1046Ca -0.00 -0.55 -0.06 0.00 -1.87 0.00 0.00 60.65 58.16 2ckj h LYS 1046Cb 0.99 0.16 -0.01 0.00 0.08 0.00 0.00 32.23 33.45 2ckj h LYS 1046CO 0.08 1.19 -0.16 0.52 -0.57 0.00 0.00 179.45 180.51 2ckj h MET 1047N 0.26 0.31 0.72 3.15 2.86 0.87 -2.71 114.93 120.38 2ckj h MET 1047Ca -0.11 -0.08 -0.03 0.00 -2.06 0.00 0.00 59.70 57.42 2ckj h MET 1047Cb 1.67 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 33.30 2ckj h MET 1047CO 0.18 0.47 -0.40 0.28 1.06 0.00 0.00 176.91 178.50 2ckj h VAL 1048N 0.29 0.18 -0.98 -2.22 2.07 -0.24 -2.92 116.25 112.43 2ckj h VAL 1048Ca 0.05 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.73 2ckj h VAL 1048Cb 0.46 0.18 -0.16 0.00 -1.52 0.00 0.00 31.29 30.25 2ckj h VAL 1048CO 0.03 0.00 -0.37 0.00 0.02 0.00 0.00 177.57 177.25 2ckj n GLN 1049N -5.55 -0.21 0.00 1.57 6.02 -0.85 -1.42 117.38 116.94 2ckj n GLN 1049Ca -0.14 1.51 0.00 0.00 -0.01 0.00 0.00 57.00 58.36 2ckj n GLN 1049Cb 0.43 -2.25 0.00 0.00 1.02 0.00 0.00 30.24 29.44 2ckj n GLN 1049CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 2ckj n VAL 1050N -5.47 0.00 0.07 5.09 0.31 -1.03 -2.22 118.33 115.08 2ckj n VAL 1050Ca 0.11 1.45 0.20 0.00 -0.01 0.00 0.00 64.34 66.09 2ckj n VAL 1050Cb 0.41 -2.25 0.74 0.00 -0.91 0.00 0.00 33.84 31.82 2ckj n VAL 1050CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2ckj h ALA 1051N -1.64 2.23 -0.36 3.52 0.00 -1.04 0.54 119.26 122.51 2ckj h ALA 1051Ca 0.00 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 2ckj h ALA 1051Cb 0.00 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2ckj h ALA 1051CO 0.00 -0.62 -0.27 1.03 0.00 0.00 0.00 179.25 179.39 2ckj h SER 1052N 0.00 0.77 -0.27 0.00 0.87 -1.20 -2.86 113.55 110.86 2ckj h SER 1052Ca 0.21 -0.30 -0.08 0.00 -1.23 0.00 0.00 61.79 60.39 2ckj h SER 1052Cb 0.99 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.73 2ckj h SER 1052CO -0.00 1.00 -0.16 -0.09 -0.53 0.00 0.00 176.83 177.05 2ckj h ARG 1053N 0.64 0.59 -0.55 2.24 2.43 0.52 0.30 114.38 120.55 2ckj h ARG 1053Ca 0.08 -0.27 -0.01 0.00 -0.81 0.00 0.00 59.98 58.98 2ckj h ARG 1053Cb 0.79 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.30 2ckj h ARG 1053CO 0.07 0.84 0.32 0.00 -1.51 0.00 0.00 179.97 179.68 2ckj h ALA 1054N 0.73 1.52 0.00 2.80 0.00 -1.22 -2.69 119.26 120.40 2ckj h ALA 1054Ca 0.06 -0.08 -0.26 0.00 0.00 0.00 0.00 54.91 54.63 2ckj h ALA 1054Cb 0.68 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 2ckj h ALA 1054CO 0.04 0.41 -1.92 1.28 0.00 0.00 0.00 179.25 179.07 2ckj n LEU 1055N -4.41 0.47 0.00 0.00 4.32 -1.08 -4.98 117.00 111.31 2ckj n LEU 1055Ca 0.05 0.21 0.00 0.00 -0.02 0.00 0.00 56.01 56.25 2ckj n LEU 1055Cb 0.09 0.25 0.00 0.00 -1.62 0.00 0.00 43.42 42.14 2ckj n LEU 1055CO 0.37 0.33 0.00 0.29 -1.22 0.00 0.00 177.39 177.16 2ckj n LYS 1056N -2.82 0.00 -4.36 3.23 5.02 0.11 -5.05 118.16 114.28 2ckj n LYS 1056Ca -0.20 0.17 -0.24 0.00 -2.02 0.00 0.00 58.31 56.02 2ckj n LYS 1056Cb 1.00 -2.93 -0.08 0.00 -0.02 0.00 0.00 35.03 33.00 2ckj n LYS 1056CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 2ckj s ILE 1057N -2.00 2.93 0.44 -0.18 -4.36 -1.13 -5.06 121.20 111.83 2ckj s ILE 1057Ca 0.00 -2.07 -0.24 0.00 -0.26 0.00 0.00 60.65 58.07 2ckj s ILE 1057Cb 0.00 -2.68 -0.08 0.00 1.25 0.00 0.00 42.46 40.96 2ckj s ILE 1057CO 0.00 -0.33 1.24 -2.84 0.24 0.00 0.00 174.94 173.26 2ckj s PRO 1058N -3.64 3.82 0.51 0.37 0.02 -1.26 -4.61 135.00 130.21 2ckj s PRO 1058Ca 0.32 2.00 0.33 0.00 0.02 0.00 0.00 61.00 63.67 2ckj s PRO 1058Cb -0.04 -2.58 1.47 0.00 0.02 0.00 0.00 34.50 33.37 2ckj s PRO 1058CO 0.18 -0.57 1.79 0.00 -0.33 0.00 0.00 177.00 178.07 2ckj h THR 1059N 2.14 0.41 0.00 0.99 1.03 -1.91 -0.93 112.91 114.63 2ckj h THR 1059Ca -0.49 -0.03 -0.04 0.00 -0.01 0.00 0.00 66.41 65.84 2ckj h THR 1059Cb 1.25 0.32 -0.01 0.00 -1.07 0.00 0.00 68.15 68.65 2ckj h THR 1059CO 0.61 0.01 -0.19 0.77 -0.01 0.00 0.00 175.52 176.72 2ckj h SER 1060N 0.08 0.00 1.47 0.00 4.64 -1.97 -3.14 113.55 114.63 2ckj h SER 1060Ca 0.59 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.91 2ckj h SER 1060Cb 2.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.27 2ckj h SER 1060CO -0.08 0.19 -0.34 0.11 -0.87 0.00 0.00 176.83 175.84 2ckj h LYS 1061N 0.00 0.00 -5.54 4.77 1.57 -1.53 -3.44 116.57 112.40 2ckj h LYS 1061Ca -0.00 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 58.18 2ckj h LYS 1061Cb 0.36 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.58 2ckj h LYS 1061CO 0.02 0.00 -0.33 0.42 -0.57 0.00 0.00 179.45 178.99 2ckj s ILE 1062N -3.22 5.30 -0.02 1.86 1.01 -1.19 -2.44 121.20 122.51 2ckj s ILE 1062Ca 0.06 0.53 0.06 0.00 0.00 0.00 0.00 60.65 61.30 2ckj s ILE 1062Cb 0.09 -3.61 -0.01 0.00 0.01 0.00 0.00 42.46 38.93 2ckj s ILE 1062CO 0.69 0.43 -0.19 -0.47 0.00 0.00 0.00 174.94 175.40 2ckj s TYR 1063N 0.20 1.75 -0.11 3.97 5.04 -1.04 -4.99 117.35 122.18 2ckj s TYR 1063Ca 0.17 -0.34 0.03 0.00 -2.44 0.00 0.00 57.07 54.49 2ckj s TYR 1063Cb -0.13 -1.13 0.00 0.00 0.35 0.00 0.00 41.96 41.06 2ckj s TYR 1063CO 0.04 -0.03 -0.22 0.42 -1.34 0.00 0.00 175.55 174.42 2ckj s ILE 1064N -0.44 1.92 -0.23 3.14 1.01 -1.26 -0.84 121.20 124.50 2ckj s ILE 1064Ca 0.07 -0.92 -0.08 0.00 0.00 0.00 0.00 60.65 59.72 2ckj s ILE 1064Cb -0.08 -1.68 -0.11 0.00 0.01 0.00 0.00 42.46 40.60 2ckj s ILE 1064CO -0.01 0.53 -0.27 -0.24 0.00 0.00 0.00 174.94 174.95 2ckj n SER 1065N 3.73 1.83 -3.92 3.58 2.88 -1.26 -5.03 113.62 115.43 2ckj n SER 1065Ca -0.20 0.17 -0.09 0.00 -1.33 0.00 0.00 58.87 57.42 2ckj n SER 1065Cb 0.52 -0.59 -0.05 0.00 -0.75 0.00 0.00 64.21 63.35 2ckj n SER 1065CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 2ckj s GLU 1066N -2.43 1.46 -0.21 -1.46 -1.05 -1.26 -4.98 118.70 108.77 2ckj s GLU 1066Ca -0.32 -1.12 -0.07 0.00 -0.15 0.00 0.00 54.97 53.31 2ckj s GLU 1066Cb 0.11 0.48 -0.03 0.00 -0.44 0.00 0.00 34.13 34.24 2ckj s GLU 1066CO 0.44 -0.60 0.05 0.99 0.95 0.00 0.00 175.26 177.08 2ckj s THR 1067N -3.97 4.45 0.20 1.83 2.01 -1.03 -4.83 115.64 114.31 2ckj s THR 1067Ca 0.17 -0.14 -0.01 0.00 0.31 0.00 0.00 61.69 62.02 2ckj s THR 1067Cb -0.00 -3.03 -0.04 0.00 0.01 0.00 0.00 72.50 69.43 2ckj s THR 1067CO 0.04 0.41 0.14 -0.55 -0.69 0.00 0.00 174.62 173.97 2ckj s SER 1068N 0.94 0.19 -0.49 3.53 0.15 -1.26 -2.37 113.70 114.39 2ckj s SER 1068Ca 0.03 -1.39 0.03 0.00 0.70 0.00 0.00 55.95 55.32 2ckj s SER 1068Cb -0.14 0.39 0.58 0.00 -1.71 0.00 0.00 66.02 65.14 2ckj s SER 1068CO 0.03 -0.85 1.87 0.35 1.20 0.00 0.00 173.24 175.83 2ckj n THR 1069N -0.28 3.23 -1.14 6.45 -2.24 -1.21 -3.14 114.28 115.94 2ckj n THR 1069Ca 0.02 -2.40 0.00 0.00 -2.27 0.00 0.00 64.05 59.40 2ckj n THR 1069Cb 0.66 -0.67 0.00 0.00 -2.10 0.00 0.00 70.33 68.22 2ckj n THR 1069CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2ckj n ASN 1070N -1.07 0.00 -0.12 3.42 2.04 -1.26 -4.75 115.26 113.53 2ckj n ASN 1070Ca 0.57 -1.00 -0.15 0.00 -0.44 0.00 0.00 54.58 53.56 2ckj n ASN 1070Cb 1.29 0.00 -0.13 0.00 -2.53 0.00 0.00 39.78 38.40 2ckj n ASN 1070CO 0.00 0.00 0.00 0.35 -0.44 0.00 0.00 177.26 177.17 2ckj n THR 1071N 0.00 1.45 -3.24 5.53 -2.24 -1.22 -4.98 114.28 109.58 2ckj n THR 1071Ca 0.00 -0.67 -0.04 0.00 -2.27 0.00 0.00 64.05 61.07 2ckj n THR 1071Cb 0.43 -1.08 -0.03 0.00 -2.10 0.00 0.00 70.33 67.55 2ckj n THR 1071CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2ckj s VAL 1072N -2.51 -0.79 0.47 2.28 0.11 -1.19 -4.80 120.40 113.98 2ckj s VAL 1072Ca -0.26 -0.22 -0.02 0.00 -2.93 0.00 0.00 61.98 58.55 2ckj s VAL 1072Cb 0.08 -0.80 -0.01 0.00 -1.53 0.00 0.00 36.38 34.12 2ckj s VAL 1072CO 0.68 -0.17 0.72 -2.16 -3.33 0.00 0.00 175.10 170.83 2ckj s PRO 1073N 2.42 3.16 -0.39 1.54 0.04 -1.26 -4.53 135.00 135.98 2ckj s PRO 1073Ca 0.11 -0.28 -0.02 0.00 0.04 0.00 0.00 61.00 60.86 2ckj s PRO 1073Cb -0.11 -2.49 0.00 0.00 0.04 0.00 0.00 34.50 31.95 2ckj s PRO 1073CO -0.22 -0.29 0.33 0.09 0.04 0.00 0.00 177.00 176.95 2ckj n ASN 1074N -2.17 -2.77 -4.80 6.66 3.02 -1.26 -5.02 115.26 108.92 2ckj n ASN 1074Ca 0.01 -0.17 -0.38 0.00 -0.03 0.00 0.00 54.58 54.01 2ckj n ASN 1074Cb 0.57 -1.87 -0.06 0.00 -0.61 0.00 0.00 39.78 37.81 2ckj n ASN 1074CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2ckj s THR 1075N -3.10 5.00 0.77 3.41 -4.23 -1.26 -5.05 115.64 111.18 2ckj s THR 1075Ca 0.10 0.96 -0.11 0.00 -1.18 0.00 0.00 61.69 61.47 2ckj s THR 1075Cb -0.05 -3.79 0.05 0.00 1.34 0.00 0.00 72.50 70.06 2ckj s THR 1075CO 0.22 0.50 1.09 -0.44 -0.54 0.00 0.00 174.62 175.45 2ckj s SER 1076N -0.61 4.56 0.53 3.99 0.01 -1.26 -4.31 113.70 116.60 2ckj s SER 1076Ca 0.26 1.79 -0.18 0.00 1.31 0.00 0.00 55.95 59.12 2ckj s SER 1076Cb -0.17 -2.51 -0.11 0.00 0.21 0.00 0.00 66.02 63.44 2ckj s SER 1076CO 0.14 -2.00 0.26 -2.65 0.41 0.00 0.00 173.24 169.40 2ckj n PRO 1077N -3.50 0.30 -2.60 12.44 -0.02 -1.26 -4.78 135.00 135.59 2ckj n PRO 1077Ca 0.09 0.12 -0.41 0.00 -2.02 0.00 0.00 63.50 61.27 2ckj n PRO 1077Cb 0.53 -1.40 -0.03 0.00 -0.02 0.00 0.00 33.50 32.58 2ckj n PRO 1077CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2ckj s THR 1078N -1.82 3.81 0.00 3.45 2.01 -0.52 -4.76 115.64 117.82 2ckj s THR 1078Ca 0.64 0.28 0.00 0.00 0.31 0.00 0.00 61.69 62.91 2ckj s THR 1078Cb -0.48 -4.89 0.00 0.00 0.01 0.00 0.00 72.50 67.15 2ckj s THR 1078CO 0.59 -1.80 0.00 0.00 -0.69 0.00 0.00 174.62 172.72 2ckj n ALA 1079N 9.12 0.28 -1.27 7.40 0.00 -1.26 -4.91 120.51 129.87 2ckj n ALA 1079Ca 0.02 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.23 2ckj n ALA 1079Cb 0.48 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.83 2ckj n ALA 1079CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ckj n ALA 1080N -3.00 6.68 0.00 0.00 0.00 -1.26 -4.47 120.51 118.46 2ckj n ALA 1080Ca 0.00 -2.66 0.00 0.00 0.00 0.00 0.00 53.44 50.78 2ckj n ALA 1080Cb 0.00 -2.54 0.00 0.00 0.00 0.00 0.00 19.45 16.91 2ckj n ALA 1080CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2ckj n SER 1081N 2.28 0.00 -0.03 0.00 7.64 -1.26 -4.51 113.62 117.73 2ckj n SER 1081Ca 0.53 0.00 0.12 0.00 1.01 0.00 0.00 58.87 60.54 2ckj n SER 1081Cb 0.63 0.00 0.28 0.00 -1.01 0.00 0.00 64.21 64.12 2ckj n SER 1081CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 2ckj n VAL 1082N -2.00 0.00 -0.38 0.44 0.24 -1.26 -3.60 118.33 111.77 2ckj n VAL 1082Ca 0.00 -0.02 0.32 0.00 -2.04 0.00 0.00 64.34 62.61 2ckj n VAL 1082Cb 0.00 0.24 0.54 0.00 -1.47 0.00 0.00 33.84 33.15 2ckj n VAL 1082CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 2ckj n SER 1083N -1.39 0.17 -0.05 -1.34 3.41 -1.26 0.27 113.62 113.43 2ckj n SER 1083Ca 0.07 1.11 -0.14 0.00 -0.26 0.00 0.00 58.87 59.65 2ckj n SER 1083Cb 0.34 -0.55 -0.12 0.00 -0.26 0.00 0.00 64.21 63.62 2ckj n SER 1083CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ckj h ALA 1084N 1.28 -0.00 -0.17 7.33 0.00 -1.98 -3.07 119.26 122.65 2ckj h ALA 1084Ca 0.71 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 2ckj h ALA 1084Cb 2.28 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 20.06 2ckj h ALA 1084CO -0.37 -0.07 0.08 -0.44 0.00 0.00 0.00 179.25 178.44 2ckj h ASP 1085N -0.86 0.22 0.31 0.00 5.19 -1.47 0.29 116.42 120.11 2ckj h ASP 1085Ca -0.00 -0.13 -0.07 0.00 -0.62 0.00 0.00 57.03 56.21 2ckj h ASP 1085Cb 0.85 -0.06 -0.01 0.00 0.18 0.00 0.00 39.33 40.29 2ckj h ASP 1085CO 0.00 0.29 -0.33 -0.07 -3.12 0.00 0.00 179.24 176.00 2ckj h LEU 1086N 0.14 0.03 0.08 1.55 3.38 -0.30 -2.15 115.31 118.03 2ckj h LEU 1086Ca 0.06 -0.01 -0.33 0.00 0.09 0.00 0.00 57.88 57.69 2ckj h LEU 1086Cb 0.13 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 2ckj h LEU 1086CO -0.01 0.36 -1.82 0.78 0.09 0.00 0.00 178.44 177.85 2ckj h ASN 1087N 0.03 0.25 -0.73 -0.43 2.35 -1.43 -3.07 115.58 112.55 2ckj h ASN 1087Ca 0.00 -0.52 0.20 0.00 -0.55 0.00 0.00 56.30 55.43 2ckj h ASN 1087Cb 0.60 -0.08 -0.14 0.00 0.05 0.00 0.00 38.32 38.76 2ckj h ASN 1087CO 0.04 1.46 -0.01 0.61 -1.65 0.00 0.00 177.43 177.89 2ckj n GLY 1088N 1.77 -1.03 0.18 2.83 0.00 1.00 -0.53 105.19 109.42 2ckj n GLY 1088Ca -0.24 0.73 -0.17 0.00 0.00 0.00 0.00 46.02 46.34 2ckj n GLY 1088CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2ckj h GLN 1089N 0.00 0.58 -0.14 1.61 5.75 -1.29 -1.77 115.11 119.85 2ckj h GLN 1089Ca 0.44 -0.61 -0.22 0.00 -0.15 0.00 0.00 58.65 58.11 2ckj h GLN 1089Cb 0.88 0.17 0.01 0.00 1.07 0.00 0.00 27.48 29.61 2ckj h GLN 1089CO -0.70 1.22 -0.75 0.00 -2.65 0.00 0.00 178.83 175.95 2ckj h ALA 1090N 0.57 0.29 0.10 3.38 0.00 -1.25 -0.82 119.26 121.51 2ckj h ALA 1090Ca -0.10 -0.59 0.01 0.00 0.00 0.00 0.00 54.91 54.23 2ckj h ALA 1090Cb 1.62 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.38 2ckj h ALA 1090CO 0.18 0.64 -0.18 0.28 0.00 0.00 0.00 179.25 180.18 2ckj h VAL 1091N 0.49 0.58 -0.32 0.00 2.07 -0.80 -1.52 116.25 116.76 2ckj h VAL 1091Ca -0.05 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.52 2ckj h VAL 1091Cb 1.39 0.58 -0.08 0.00 -1.52 0.00 0.00 31.29 31.66 2ckj h VAL 1091CO 0.16 0.00 -0.47 0.22 0.02 0.00 0.00 177.57 177.49 2ckj h TYR 1092N -0.35 -1.39 -0.52 1.57 3.20 -1.12 0.54 116.97 118.90 2ckj h TYR 1092Ca 0.03 0.07 0.10 0.00 3.14 0.00 0.00 58.73 62.07 2ckj h TYR 1092Cb 0.37 0.65 -0.11 0.00 1.54 0.00 0.00 36.73 39.19 2ckj h TYR 1092CO -0.19 -0.48 -0.24 0.00 -1.64 0.00 0.00 178.16 175.62 2ckj h ALA 1093N 0.16 0.12 -0.52 1.82 0.00 -0.92 -0.99 119.26 118.94 2ckj h ALA 1093Ca 0.10 0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 2ckj h ALA 1093Cb 0.61 0.59 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 2ckj h ALA 1093CO -0.53 -0.57 0.23 0.00 0.00 0.00 0.00 179.25 178.38 2ckj h ALA 1094N 1.20 0.68 -0.75 0.00 0.00 -0.91 -1.61 119.26 117.87 2ckj h ALA 1094Ca 0.24 -0.14 0.14 0.00 0.00 0.00 0.00 54.91 55.15 2ckj h ALA 1094Cb 0.49 -0.21 -0.14 0.00 0.00 0.00 0.00 17.79 17.94 2ckj h ALA 1094CO -0.60 0.26 -0.28 0.00 0.00 0.00 0.00 179.25 178.64 2ckj h GLN 1096N -0.06 0.29 -0.79 0.00 1.08 -0.61 -0.66 115.11 114.36 2ckj h GLN 1096Ca 0.32 -0.03 0.11 0.00 -1.45 0.00 0.00 58.65 57.61 2ckj h GLN 1096Cb 0.57 -0.06 -0.06 0.00 -0.05 0.00 0.00 27.48 27.89 2ckj h GLN 1096CO -0.80 0.25 0.52 1.15 -0.95 0.00 0.00 178.83 179.00 2ckj h THR 1097N 0.25 0.91 -0.11 -0.54 2.02 -1.16 -1.14 112.91 113.13 2ckj h THR 1097Ca 0.07 -0.23 -0.15 0.00 0.77 0.00 0.00 66.41 66.87 2ckj h THR 1097Cb 0.04 0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 66.62 2ckj h THR 1097CO -0.01 0.12 -0.59 0.40 0.37 0.00 0.00 175.52 175.80 2ckj h ILE 1098N 0.67 1.36 -0.03 3.11 2.04 -0.78 -2.70 117.51 121.19 2ckj h ILE 1098Ca 0.38 -1.92 -0.16 0.00 1.00 0.00 0.00 64.86 64.15 2ckj h ILE 1098Cb 0.55 1.93 -0.01 0.00 -0.74 0.00 0.00 36.82 38.54 2ckj h ILE 1098CO -0.15 0.58 -0.72 -0.07 0.00 0.00 0.00 178.15 177.80 2ckj h LEU 1099N 0.27 0.20 -1.24 1.44 3.38 -0.78 -2.49 115.31 116.08 2ckj h LEU 1099Ca -0.00 -0.13 -0.08 0.00 0.09 0.00 0.00 57.88 57.75 2ckj h LEU 1099Cb 1.12 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 2ckj h LEU 1099CO 0.10 0.85 -0.38 0.50 0.09 0.00 0.00 178.44 179.60 2ckj h LYS 1100N 0.11 0.00 -0.47 1.13 1.63 -1.27 0.83 116.57 118.52 2ckj h LYS 1100Ca -0.02 -0.00 -0.06 0.00 -0.85 0.00 0.00 60.65 59.72 2ckj h LYS 1100Cb 1.27 -0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.88 2ckj h LYS 1100CO 0.11 0.38 0.04 0.00 -3.45 0.00 0.00 179.45 176.53 2ckj h ARG 1101N 0.00 0.76 0.02 1.90 3.08 -1.11 -3.34 114.38 115.69 2ckj h ARG 1101Ca -0.00 -0.18 -0.32 0.00 0.07 0.00 0.00 59.98 59.54 2ckj h ARG 1101Cb 0.67 -0.10 -0.05 0.00 0.08 0.00 0.00 29.97 30.57 2ckj h ARG 1101CO 0.05 0.74 -1.91 1.28 -1.07 0.00 0.00 179.97 179.05 2ckj n LEU 1102N -4.25 1.16 0.00 3.04 4.77 -1.05 -4.54 117.00 116.13 2ckj n LEU 1102Ca 0.03 0.28 0.00 0.00 -0.03 0.00 0.00 56.01 56.29 2ckj n LEU 1102Cb 0.27 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 2ckj n LEU 1102CO 0.41 0.52 0.00 -0.62 -1.33 0.00 0.00 177.39 176.36 2ckj n GLU 1103N -3.09 0.00 -0.10 3.23 -0.58 0.26 0.34 120.64 120.71 2ckj n GLU 1103Ca -0.24 0.00 0.26 0.00 -0.42 0.00 0.00 57.16 56.76 2ckj n GLU 1103Cb 1.07 0.00 0.72 0.00 -0.57 0.00 0.00 31.44 32.65 2ckj n GLU 1103CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 2ckj h PRO 1104N 0.00 0.00 0.00 3.49 0.11 -1.84 0.13 132.00 133.89 2ckj h PRO 1104Ca 0.00 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.02 2ckj h PRO 1104Cb 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.09 2ckj h PRO 1104CO 0.00 0.00 -1.68 0.66 -0.21 0.00 0.00 178.00 176.77 2ckj n TYR 1105N -3.99 0.46 0.30 0.65 4.02 0.15 -3.13 117.16 115.62 2ckj n TYR 1105Ca 0.15 0.14 -0.12 0.00 -0.01 0.00 0.00 57.90 58.07 2ckj n TYR 1105Cb 0.90 -0.82 -0.06 0.00 -0.02 0.00 0.00 39.34 39.35 2ckj n TYR 1105CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 176.86 175.63 2ckj h LYS 1106N 0.00 -0.74 -0.16 -0.72 3.64 -0.72 -3.17 116.57 114.71 2ckj h LYS 1106Ca -0.12 0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.33 2ckj h LYS 1106Cb 1.32 0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 33.28 2ckj h LYS 1106CO 0.01 -0.49 -0.09 1.17 -2.27 0.00 0.00 179.45 177.78 2ckj n LYS 1107N -4.23 -0.07 0.00 1.90 3.00 0.33 -0.15 118.16 118.95 2ckj n LYS 1107Ca -0.09 1.02 0.00 0.00 -0.00 0.00 0.00 58.31 59.23 2ckj n LYS 1107Cb 0.30 -1.52 0.00 0.00 0.00 0.00 0.00 35.03 33.81 2ckj n LYS 1107CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2ckj n LYS 1108N -3.32 0.00 -2.73 1.64 5.02 -1.18 -3.00 118.16 114.60 2ckj n LYS 1108Ca 0.00 0.18 -0.07 0.00 -2.02 0.00 0.00 58.31 56.40 2ckj n LYS 1108Cb 0.04 -1.56 0.07 0.00 -0.02 0.00 0.00 35.03 33.56 2ckj n LYS 1108CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2ckj n ASN 1109N -1.12 -2.39 0.00 4.39 5.15 0.79 -5.04 115.26 117.04 2ckj n ASN 1109Ca 0.00 -3.12 0.10 0.00 -0.60 0.00 0.00 54.58 50.96 2ckj n ASN 1109Cb 0.06 1.67 0.61 0.00 -0.53 0.00 0.00 39.78 41.59 2ckj n ASN 1109CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 2ckj n PRO 1110N 1.13 0.81 -0.73 1.20 -0.04 -0.80 -2.62 135.00 133.95 2ckj n PRO 1110Ca 0.06 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.54 2ckj n PRO 1110Cb 0.67 -1.40 0.20 0.00 -0.04 0.00 0.00 33.50 32.93 2ckj n PRO 1110CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2ckj n SER 1111N -0.90 2.07 -4.81 3.54 3.41 -1.26 -5.04 113.62 110.63 2ckj n SER 1111Ca 0.15 -3.88 -0.22 0.00 -0.26 0.00 0.00 58.87 54.66 2ckj n SER 1111Cb 0.07 -0.54 -0.05 0.00 -0.26 0.00 0.00 64.21 63.44 2ckj n SER 1111CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2ckj s GLY 1112N -3.15 1.82 0.83 5.00 0.00 -1.08 -5.12 107.32 105.63 2ckj s GLY 1112Ca 0.40 -1.70 -0.13 0.00 0.00 0.00 0.00 44.72 43.29 2ckj s GLY 1112CO -0.05 -1.63 1.18 -1.14 0.00 0.00 0.00 173.10 171.46 2ckj n SER 1113N -1.29 0.85 0.27 1.64 3.41 -1.26 -4.88 113.62 112.36 2ckj n SER 1113Ca -0.02 0.55 0.17 0.00 -0.26 0.00 0.00 58.87 59.30 2ckj n SER 1113Cb 0.60 -1.50 0.61 0.00 -0.26 0.00 0.00 64.21 63.67 2ckj n SER 1113CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 175.04 174.63 2ckj h TRP 1114N -1.13 0.00 -0.23 7.33 2.91 -1.99 -1.60 115.95 121.23 2ckj h TRP 1114Ca -0.46 0.00 -0.17 0.00 1.13 0.00 0.00 58.89 59.39 2ckj h TRP 1114Cb 1.29 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 29.94 2ckj h TRP 1114CO 0.47 0.00 -0.56 0.93 -1.03 0.00 0.00 178.44 178.26 2ckj h GLU 1115N 0.00 0.72 -0.14 2.65 3.07 -1.94 -2.88 114.58 116.06 2ckj h GLU 1115Ca -0.00 -0.46 0.02 0.00 -0.50 0.00 0.00 59.36 58.42 2ckj h GLU 1115Cb 0.58 0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.53 2ckj h GLU 1115CO 0.00 1.08 0.03 -0.44 -1.40 0.00 0.00 179.01 178.28 2ckj h ASP 1116N 0.55 0.02 -0.17 1.42 3.32 -1.87 -0.11 116.42 119.58 2ckj h ASP 1116Ca 0.01 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 2ckj h ASP 1116Cb 1.13 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.69 2ckj h ASP 1116CO 0.11 0.03 0.08 -0.50 -1.72 0.00 0.00 179.24 177.25 2ckj h TRP 1117N 0.09 0.28 0.08 4.55 6.55 -1.22 -2.17 115.95 124.11 2ckj h TRP 1117Ca 0.06 -0.00 -0.00 0.00 0.95 0.00 0.00 58.89 59.89 2ckj h TRP 1117Cb 0.05 -0.09 0.00 0.00 -0.86 0.00 0.00 29.16 28.26 2ckj h TRP 1117CO -0.12 0.23 -0.04 0.28 -1.05 0.00 0.00 178.44 177.74 2ckj h VAL 1118N 0.29 0.00 0.00 1.49 2.07 -1.12 -0.52 116.25 118.46 2ckj h VAL 1118Ca 0.07 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.30 2ckj h VAL 1118Cb 0.06 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.83 2ckj h VAL 1118CO -0.01 0.00 0.91 0.35 0.02 0.00 0.00 177.57 178.84 2ckj n THR 1119N -3.13 0.00 -0.09 2.57 -2.24 -0.14 -0.16 114.28 111.10 2ckj n THR 1119Ca -0.01 0.91 -0.17 0.00 -2.27 0.00 0.00 64.05 62.50 2ckj n THR 1119Cb 0.04 -1.83 -0.11 0.00 -2.10 0.00 0.00 70.33 66.33 2ckj n THR 1119CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2ckj h ALA 1120N 0.00 0.12 0.00 6.98 0.00 -0.77 -3.01 119.26 122.58 2ckj h ALA 1120Ca 0.00 -0.81 -0.06 0.00 0.00 0.00 0.00 54.91 54.04 2ckj h ALA 1120Cb 1.81 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 19.96 2ckj h ALA 1120CO 0.00 0.35 -0.27 0.00 0.00 0.00 0.00 179.25 179.33 2ckj h ALA 1121N -0.31 1.51 0.71 0.00 0.00 0.11 -2.50 119.26 118.78 2ckj h ALA 1121Ca -0.16 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.47 2ckj h ALA 1121Cb 1.08 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.84 2ckj h ALA 1121CO -0.10 0.33 -0.34 -0.92 0.00 0.00 0.00 179.25 178.22 2ckj h TYR 1122N 0.00 -0.89 0.00 0.00 3.20 -1.39 -1.18 116.97 116.71 2ckj h TYR 1122Ca -0.00 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.83 2ckj h TYR 1122Cb 0.48 0.29 -0.00 0.00 1.54 0.00 0.00 36.73 39.05 2ckj h TYR 1122CO 0.00 -0.55 -0.09 0.52 -1.64 0.00 0.00 178.16 176.40 2ckj h MET 1123N -1.17 0.00 0.00 1.82 0.00 -1.36 0.14 114.93 114.36 2ckj h MET 1123Ca -0.10 0.00 -0.01 0.00 0.00 0.00 0.00 59.70 59.60 2ckj h MET 1123Cb 0.73 0.00 -0.00 0.00 0.00 0.00 0.00 31.60 32.33 2ckj h MET 1123CO 0.16 0.09 -0.03 0.22 0.00 0.00 0.00 176.91 177.35 2ckj h ASP 1124N 0.00 0.00 0.00 1.22 3.58 -1.41 -3.49 116.42 116.32 2ckj h ASP 1124Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2ckj h ASP 1124Cb 0.35 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.40 2ckj h ASP 1124CO 0.01 0.03 0.00 0.41 -2.88 0.00 0.00 179.24 176.81 2ckj n THR 1125N -3.12 0.00 -4.39 2.25 -1.04 0.50 -5.10 114.28 103.38 2ckj n THR 1125Ca 0.02 0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 61.74 2ckj n THR 1125Cb 0.40 0.00 -0.13 0.00 -1.82 0.00 0.00 70.33 68.78 2ckj n THR 1125CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2ckj s VAL 1126N -1.43 2.29 0.16 12.58 1.01 -0.83 -5.03 120.40 129.14 2ckj s VAL 1126Ca 0.00 -1.77 -0.31 0.00 0.00 0.00 0.00 61.98 59.90 2ckj s VAL 1126Cb 0.00 -2.02 -0.09 0.00 0.00 0.00 0.00 36.38 34.27 2ckj s VAL 1126CO 0.00 0.07 1.42 -0.55 0.00 0.00 0.00 175.10 176.04 2ckj s SER 1127N -2.11 6.77 -0.39 3.32 0.15 -1.26 -4.73 113.70 115.45 2ckj s SER 1127Ca 0.15 2.44 0.07 0.00 0.70 0.00 0.00 55.95 59.30 2ckj s SER 1127Cb -0.10 -2.60 0.70 0.00 -1.71 0.00 0.00 66.02 62.32 2ckj s SER 1127CO 0.06 -0.67 1.86 0.18 1.20 0.00 0.00 173.24 175.87 2ckj n LEU 1128N 3.50 6.39 -3.74 3.45 4.77 -1.26 -4.95 117.00 125.16 2ckj n LEU 1128Ca 0.10 -3.44 -0.13 0.00 -0.03 0.00 0.00 56.01 52.51 2ckj n LEU 1128Cb 0.41 -0.79 -0.14 0.00 -2.33 0.00 0.00 43.42 40.57 2ckj n LEU 1128CO 0.59 0.95 -0.19 -0.55 -1.33 0.00 0.00 177.39 176.86 2ckj s SER 1129N -1.22 -0.14 -0.07 -1.43 0.15 -1.26 -1.92 113.70 107.81 2ckj s SER 1129Ca 0.56 0.37 -0.23 0.00 0.70 0.00 0.00 55.95 57.35 2ckj s SER 1129Cb 0.46 0.26 0.05 0.00 -1.71 0.00 0.00 66.02 65.08 2ckj s SER 1129CO 0.12 -0.16 0.53 0.00 1.20 0.00 0.00 173.24 174.93 2ckj s ALA 1130N 1.23 -1.35 1.24 5.45 0.00 -0.60 -5.02 121.76 122.72 2ckj s ALA 1130Ca -0.09 1.04 -0.20 0.00 0.00 0.00 0.00 51.96 52.71 2ckj s ALA 1130Cb -0.11 -0.18 0.30 0.00 0.00 0.00 0.00 23.12 23.13 2ckj s ALA 1130CO -0.07 -0.31 1.10 0.95 0.00 0.00 0.00 175.76 177.44 2ckj s THR 1131N -0.90 1.52 0.00 0.00 -4.23 -1.26 -0.24 115.64 110.53 2ckj s THR 1131Ca -0.09 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.42 2ckj s THR 1131Cb -0.03 -2.47 0.00 0.00 1.34 0.00 0.00 72.50 71.35 2ckj s THR 1131CO 0.06 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.75 2ckj n GLY 1132N -0.82 1.42 3.30 3.99 0.00 0.34 -4.01 105.19 109.40 2ckj n GLY 1132Ca 0.14 -0.18 -0.16 0.00 0.00 0.00 0.00 46.02 45.82 2ckj n GLY 1132CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2ckj s PHE 1133N -1.64 1.47 -0.22 1.61 5.99 -1.26 -0.19 117.98 123.75 2ckj s PHE 1133Ca 0.00 -1.28 -0.28 0.00 0.00 0.00 0.00 56.93 55.37 2ckj s PHE 1133Cb 0.00 -0.81 0.13 0.00 0.00 0.00 0.00 43.02 42.34 2ckj s PHE 1133CO 0.00 -0.45 1.04 -0.47 -0.00 0.00 0.00 175.22 175.34 2ckj s TYR 1134N -3.80 -0.38 0.02 10.12 5.04 -0.72 -4.40 117.35 123.22 2ckj s TYR 1134Ca 0.38 0.80 0.04 0.00 -2.44 0.00 0.00 57.07 55.84 2ckj s TYR 1134Cb 0.07 0.42 -0.02 0.00 0.35 0.00 0.00 41.96 42.78 2ckj s TYR 1134CO 0.14 -0.27 -0.13 -0.98 -1.34 0.00 0.00 175.55 172.98 2ckj s ARG 1135N -0.52 0.92 0.04 4.97 1.70 -1.26 -2.82 118.95 121.97 2ckj s ARG 1135Ca 0.01 -0.59 -0.28 0.00 -0.47 0.00 0.00 55.73 54.40 2ckj s ARG 1135Cb -0.02 -0.89 -0.05 0.00 -0.57 0.00 0.00 34.95 33.41 2ckj s ARG 1135CO -0.03 0.23 0.89 0.99 -1.08 0.00 0.00 175.30 176.31 2ckj s THR 1136N -0.59 4.72 0.38 4.99 2.01 -0.13 -4.99 115.64 122.04 2ckj s THR 1136Ca 0.02 1.90 -0.04 0.00 0.31 0.00 0.00 61.69 63.88 2ckj s THR 1136Cb -0.06 -4.24 -0.04 0.00 0.01 0.00 0.00 72.50 68.16 2ckj s THR 1136CO 0.00 0.27 0.65 -2.16 -0.69 0.00 0.00 174.62 172.70 2ckj s PRO 1137N 0.37 3.58 -0.80 4.92 0.04 -1.26 -4.58 135.00 137.27 2ckj s PRO 1137Ca 0.45 0.02 -0.03 0.00 0.04 0.00 0.00 61.00 61.49 2ckj s PRO 1137Cb -0.21 -2.54 0.00 0.00 0.04 0.00 0.00 34.50 31.79 2ckj s PRO 1137CO 0.26 0.04 0.41 0.09 0.04 0.00 0.00 177.00 177.85 2ckj n ASN 1138N -1.62 -4.08 -4.63 6.66 3.02 -1.26 -5.02 115.26 108.33 2ckj n ASN 1138Ca -0.01 -0.19 -0.29 0.00 -0.03 0.00 0.00 54.58 54.06 2ckj n ASN 1138Cb 0.55 -2.88 -0.09 0.00 -0.61 0.00 0.00 39.78 36.75 2ckj n ASN 1138CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2ckj s LEU 1139N -3.94 3.22 0.00 3.41 1.02 -1.26 -4.78 118.68 116.34 2ckj s LEU 1139Ca 0.20 -0.34 0.00 0.00 0.02 0.00 0.00 54.13 54.01 2ckj s LEU 1139Cb -0.09 -1.95 0.00 0.00 0.02 0.00 0.00 46.19 44.16 2ckj s LEU 1139CO 0.25 0.15 0.00 0.61 0.02 0.00 0.00 176.35 177.39 2ckj n GLY 1140N 0.44 2.47 3.69 -3.19 0.00 0.18 -4.90 105.19 103.87 2ckj n GLY 1140Ca -0.12 -0.23 -0.35 0.00 0.00 0.00 0.00 46.02 45.32 2ckj n GLY 1140CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2ckj s TYR 1141N 0.00 3.19 -0.01 1.61 5.04 -1.26 -2.03 117.35 123.89 2ckj s TYR 1141Ca 0.00 0.20 0.02 0.00 -2.44 0.00 0.00 57.07 54.84 2ckj s TYR 1141Cb 0.00 -1.81 -0.03 0.00 0.35 0.00 0.00 41.96 40.46 2ckj s TYR 1141CO 0.00 0.46 -0.02 0.45 -1.34 0.00 0.00 175.55 175.10 2ckj s SER 1142N -0.81 4.95 0.19 4.32 0.15 -0.61 -4.95 113.70 116.94 2ckj s SER 1142Ca 0.12 -0.04 0.15 0.00 0.70 0.00 0.00 55.95 56.89 2ckj s SER 1142Cb -0.11 -1.26 -0.03 0.00 -1.71 0.00 0.00 66.02 62.91 2ckj s SER 1142CO 0.02 0.30 1.23 -0.26 1.20 0.00 0.00 173.24 175.73 2ckj h PHE 1143N 4.54 0.00 -2.36 3.44 -1.00 -1.98 -3.11 116.94 116.47 2ckj h PHE 1143Ca -0.49 0.00 -0.66 0.00 2.81 0.00 0.00 57.97 59.63 2ckj h PHE 1143Cb 1.17 0.00 -0.38 0.00 3.61 0.00 0.00 35.95 40.36 2ckj h PHE 1143CO 0.60 0.58 -0.14 -0.85 -1.61 0.00 0.00 178.31 176.89 2ckj n GLU 1144N -3.13 3.46 0.00 1.51 0.00 -1.26 -4.02 120.64 117.19 2ckj n GLU 1144Ca -0.02 -4.71 0.00 0.00 0.00 0.00 0.00 57.16 52.43 2ckj n GLU 1144Cb 0.79 -2.33 0.00 0.00 0.00 0.00 0.00 31.44 29.90 2ckj n GLU 1144CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.13 174.76 2ckj n THR 1145N 0.53 0.00 -2.99 3.84 5.66 -1.26 -5.01 114.28 115.04 2ckj n THR 1145Ca 0.32 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 61.21 2ckj n THR 1145Cb 0.37 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.12 2ckj n THR 1145CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 2ckj n ASN 1146N 0.00 0.14 -4.22 1.09 2.85 -1.18 -4.85 115.26 109.09 2ckj n ASN 1146Ca 0.00 -0.42 -0.18 0.00 -0.11 0.00 0.00 54.58 53.87 2ckj n ASN 1146Cb 0.00 -0.53 -0.10 0.00 1.24 0.00 0.00 39.78 40.39 2ckj n ASN 1146CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 2ckj s SER 1147N -3.13 1.38 0.00 1.20 1.04 -1.24 -4.68 113.70 108.27 2ckj s SER 1147Ca 0.05 -1.44 0.00 0.00 0.48 0.00 0.00 55.95 55.04 2ckj s SER 1147Cb -0.03 0.23 0.00 0.00 0.10 0.00 0.00 66.02 66.32 2ckj s SER 1147CO 0.33 -0.78 0.00 0.61 0.98 0.00 0.00 173.24 174.39 2ckj n GLY 1148N -0.52 -2.71 3.03 7.32 0.00 -1.26 -1.58 105.19 109.46 2ckj n GLY 1148Ca -0.00 -1.67 -0.31 0.00 0.00 0.00 0.00 46.02 44.03 2ckj n GLY 1148CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2ckj s ASN 1149N -1.80 4.48 -0.03 1.61 0.02 -0.86 -4.70 114.94 113.66 2ckj s ASN 1149Ca 0.00 -1.65 0.07 0.00 -1.02 0.00 0.00 52.86 50.26 2ckj s ASN 1149Cb 0.00 -1.51 -0.24 0.00 0.02 0.00 0.00 41.25 39.52 2ckj s ASN 1149CO 0.00 -0.27 0.71 1.55 0.02 0.00 0.00 177.10 179.11 2ckj h PRO 1150N 7.74 0.08 0.00 -0.60 0.13 -1.93 0.51 132.00 137.93 2ckj h PRO 1150Ca -0.13 -0.13 -0.29 0.00 -0.87 0.00 0.00 66.00 64.57 2ckj h PRO 1150Cb 1.04 0.05 -0.03 0.00 0.13 0.00 0.00 31.00 32.18 2ckj h PRO 1150CO 0.48 0.75 -0.16 1.19 -0.23 0.00 0.00 178.00 180.02 2ckj n PHE 1151N -3.20 -0.61 0.00 1.56 3.01 -1.26 -4.76 117.46 112.20 2ckj n PHE 1151Ca -0.17 -1.16 0.00 0.00 1.01 0.00 0.00 57.45 57.13 2ckj n PHE 1151Cb 1.04 -0.20 0.00 0.00 -0.01 0.00 0.00 39.48 40.31 2ckj n PHE 1151CO 0.00 0.00 0.00 1.58 1.01 0.00 0.00 176.76 179.35 2ckj n HIS 1152N -0.99 0.00 -3.93 1.38 -0.00 -0.65 -4.98 115.22 106.06 2ckj n HIS 1152Ca -0.04 0.00 -0.11 0.00 0.46 0.00 0.00 57.72 58.03 2ckj n HIS 1152Cb 0.31 0.00 -0.01 0.00 -0.12 0.00 0.00 29.99 30.17 2ckj n HIS 1152CO 0.00 0.00 0.00 1.52 0.46 0.00 0.00 176.34 178.32 2ckj s TYR 1153N -1.79 0.47 0.03 1.57 -0.85 -1.25 -5.03 117.35 110.49 2ckj s TYR 1153Ca 0.00 -0.95 0.07 0.00 -0.52 0.00 0.00 57.07 55.67 2ckj s TYR 1153Cb 0.00 0.45 -0.02 0.00 0.38 0.00 0.00 41.96 42.77 2ckj s TYR 1153CO 0.00 -1.35 -0.20 -0.06 -1.52 0.00 0.00 175.55 172.41 2ckj s PHE 1154N -2.79 1.79 0.29 -3.49 0.40 -1.26 -1.67 117.98 111.25 2ckj s PHE 1154Ca 0.21 -0.37 -0.20 0.00 -0.60 0.00 0.00 56.93 55.98 2ckj s PHE 1154Cb -0.03 -1.09 -0.09 0.00 0.51 0.00 0.00 43.02 42.32 2ckj s PHE 1154CO 0.14 0.06 0.80 0.45 0.70 0.00 0.00 175.22 177.37 2ckj s SER 1155N -1.02 7.04 0.03 1.36 0.15 -0.77 -4.93 113.70 115.55 2ckj s SER 1155Ca 0.07 1.51 -0.01 0.00 0.70 0.00 0.00 55.95 58.22 2ckj s SER 1155Cb -0.09 -2.46 -0.02 0.00 -1.71 0.00 0.00 66.02 61.75 2ckj s SER 1155CO 0.01 -0.09 -0.01 -0.31 1.20 0.00 0.00 173.24 174.04 2ckj s TYR 1156N -1.73 0.31 -0.05 3.44 1.51 -1.26 -1.42 117.35 118.15 2ckj s TYR 1156Ca 0.49 -0.66 -0.31 0.00 -1.01 0.00 0.00 57.07 55.58 2ckj s TYR 1156Cb -0.15 -0.23 0.13 0.00 -0.11 0.00 0.00 41.96 41.60 2ckj s TYR 1156CO 0.20 -0.27 1.36 0.20 -1.11 0.00 0.00 175.55 175.93 2ckj s GLY 1157N -1.93 -0.45 -0.10 0.71 0.00 -0.80 -1.57 107.32 103.19 2ckj s GLY 1157Ca -0.08 0.79 -0.27 0.00 0.00 0.00 0.00 44.72 45.15 2ckj s GLY 1157CO -0.04 0.39 0.64 0.14 0.00 0.00 0.00 173.10 174.23 2ckj s VAL 1158N -2.23 0.01 -0.05 1.40 1.01 -0.88 -1.92 120.40 117.74 2ckj s VAL 1158Ca 0.15 -0.05 -0.08 0.00 0.00 0.00 0.00 61.98 62.00 2ckj s VAL 1158Cb 0.06 -0.94 0.02 0.00 0.00 0.00 0.00 36.38 35.51 2ckj s VAL 1158CO -0.05 -0.03 0.21 0.00 0.00 0.00 0.00 175.10 175.23 2ckj s ALA 1159N -0.82 -0.51 -0.07 5.51 0.00 -0.69 -2.03 121.76 123.15 2ckj s ALA 1159Ca -0.08 0.37 -0.03 0.00 0.00 0.00 0.00 51.96 52.22 2ckj s ALA 1159Cb -0.02 -0.17 0.04 0.00 0.00 0.00 0.00 23.12 22.97 2ckj s ALA 1159CO 0.07 -0.15 0.09 0.00 0.00 0.00 0.00 175.76 175.77 2ckj s SER 1161N 2.20 1.84 -0.09 0.00 0.01 -0.69 -1.28 113.70 115.68 2ckj s SER 1161Ca 0.04 -0.30 -0.01 0.00 1.31 0.00 0.00 55.95 56.99 2ckj s SER 1161Cb -0.13 -0.51 -0.03 0.00 0.21 0.00 0.00 66.02 65.56 2ckj s SER 1161CO -0.04 0.12 -0.03 -0.70 0.41 0.00 0.00 173.24 173.00 2ckj s GLU 1162N 0.10 3.04 0.04 12.44 2.12 -0.87 -2.78 118.70 132.79 2ckj s GLU 1162Ca -0.04 -0.47 0.03 0.00 0.36 0.00 0.00 54.97 54.85 2ckj s GLU 1162Cb -0.11 -2.76 -0.02 0.00 0.26 0.00 0.00 34.13 31.50 2ckj s GLU 1162CO 0.02 0.61 -0.08 0.14 -0.54 0.00 0.00 175.26 175.40 2ckj s VAL 1163N -0.64 0.60 -0.12 3.70 -7.23 -0.31 -2.81 120.40 113.60 2ckj s VAL 1163Ca 0.10 -1.08 0.03 0.00 -1.81 0.00 0.00 61.98 59.22 2ckj s VAL 1163Cb -0.12 -0.65 0.01 0.00 0.56 0.00 0.00 36.38 36.18 2ckj s VAL 1163CO 0.02 -0.35 -0.21 -0.70 -0.31 0.00 0.00 175.10 173.56 2ckj s GLU 1164N -1.55 2.81 0.23 4.82 2.12 -1.19 -0.84 118.70 125.09 2ckj s GLU 1164Ca -0.09 -0.78 0.01 0.00 0.36 0.00 0.00 54.97 54.47 2ckj s GLU 1164Cb -0.10 -2.26 -0.04 0.00 0.26 0.00 0.00 34.13 32.00 2ckj s GLU 1164CO 0.01 0.01 0.40 0.96 -0.54 0.00 0.00 175.26 176.10 2ckj s ILE 1165N 0.77 5.21 -0.32 -3.70 -4.36 -0.08 -1.97 121.20 116.74 2ckj s ILE 1165Ca -0.09 -0.53 -0.08 0.00 -0.26 0.00 0.00 60.65 59.69 2ckj s ILE 1165Cb -0.16 -3.78 0.02 0.00 1.25 0.00 0.00 42.46 39.79 2ckj s ILE 1165CO 0.00 -0.26 0.12 -0.62 0.24 0.00 0.00 174.94 174.42 2ckj s ASP 1166N -3.47 5.36 -0.06 4.36 2.15 -0.63 -2.62 116.67 121.75 2ckj s ASP 1166Ca 0.37 -0.85 0.16 0.00 0.43 0.00 0.00 52.55 52.67 2ckj s ASP 1166Cb -0.10 -1.92 0.57 0.00 -0.30 0.00 0.00 42.92 41.16 2ckj s ASP 1166CO 0.30 -0.26 1.46 0.00 -0.17 0.00 0.00 175.17 176.50 2ckj h LEU 1168N 3.43 0.33 0.01 0.00 3.38 -1.93 -3.45 115.31 117.09 2ckj h LEU 1168Ca 0.00 -0.83 -0.37 0.00 0.09 0.00 0.00 57.88 56.77 2ckj h LEU 1168Cb 1.07 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 41.65 2ckj h LEU 1168CO 0.12 1.65 -2.34 0.35 0.09 0.00 0.00 178.44 178.31 2ckj n THR 1169N -3.91 1.47 0.00 0.22 -2.24 -1.22 -4.90 114.28 103.71 2ckj n THR 1169Ca -0.27 -0.73 0.00 0.00 -2.27 0.00 0.00 64.05 60.77 2ckj n THR 1169Cb 0.90 -0.96 0.00 0.00 -2.10 0.00 0.00 70.33 68.17 2ckj n THR 1169CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ckj n GLY 1170N 1.94 0.73 3.83 3.38 0.00 -0.18 -4.76 105.19 110.13 2ckj n GLY 1170Ca -0.36 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.33 2ckj n GLY 1170CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2ckj s ASP 1171N -1.95 6.87 0.20 1.61 2.15 -1.24 -3.71 116.67 120.60 2ckj s ASP 1171Ca 0.00 1.50 0.01 0.00 0.43 0.00 0.00 52.55 54.49 2ckj s ASP 1171Cb 0.00 -2.46 -0.05 0.00 -0.30 0.00 0.00 42.92 40.11 2ckj s ASP 1171CO 0.00 -0.28 0.07 -1.38 -0.17 0.00 0.00 175.17 173.40 2ckj s HIS 1172N -2.08 1.28 0.20 -5.34 -3.43 -1.26 -1.60 115.29 103.05 2ckj s HIS 1172Ca 0.58 -1.17 0.06 0.00 -0.80 0.00 0.00 55.06 53.73 2ckj s HIS 1172Cb -0.10 -0.72 -0.04 0.00 -1.43 0.00 0.00 32.58 30.30 2ckj s HIS 1172CO 0.15 -0.37 0.14 0.15 -2.00 0.00 0.00 174.74 172.80 2ckj s LYS 1173N -4.02 2.83 -0.73 -0.38 1.02 -0.83 -5.00 119.74 112.63 2ckj s LYS 1173Ca 0.32 -0.97 0.04 0.00 0.02 0.00 0.00 55.97 55.37 2ckj s LYS 1173Cb 0.07 -2.57 0.22 0.00 -0.52 0.00 0.00 37.83 35.03 2ckj s LYS 1173CO 0.09 0.45 0.71 0.09 -0.92 0.00 0.00 175.35 175.77 2ckj n ASN 1174N -0.61 3.74 -0.20 2.83 3.02 -1.26 -3.14 115.26 119.64 2ckj n ASN 1174Ca -0.08 -3.32 -0.01 0.00 -0.03 0.00 0.00 54.58 51.14 2ckj n ASN 1174Cb 0.56 -0.79 0.10 0.00 -0.61 0.00 0.00 39.78 39.03 2ckj n ASN 1174CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 2ckj h LEU 1175N 4.95 0.27 -7.20 3.41 3.38 -1.87 -2.69 115.31 115.55 2ckj h LEU 1175Ca 0.18 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.20 2ckj h LEU 1175Cb 0.71 0.03 -0.11 0.00 0.09 0.00 0.00 40.66 41.38 2ckj h LEU 1175CO 0.83 0.17 0.18 -0.60 0.09 0.00 0.00 178.44 179.11 2ckj s ARG 1176N -6.10 1.34 -0.23 1.13 3.52 -1.17 -2.83 118.95 114.61 2ckj s ARG 1176Ca -0.13 -0.58 -0.16 0.00 -0.13 0.00 0.00 55.73 54.73 2ckj s ARG 1176Cb 0.16 0.58 0.07 0.00 -1.56 0.00 0.00 34.95 34.20 2ckj s ARG 1176CO 0.74 -0.59 0.58 0.99 -0.81 0.00 0.00 175.30 176.22 2ckj s THR 1177N -3.78 -0.01 -0.10 4.11 2.01 -0.82 -2.05 115.64 115.00 2ckj s THR 1177Ca 0.03 0.02 0.02 0.00 0.31 0.00 0.00 61.69 62.07 2ckj s THR 1177Cb -0.01 -0.83 0.01 0.00 0.01 0.00 0.00 72.50 71.68 2ckj s THR 1177CO -0.10 0.01 -0.14 -1.81 -0.69 0.00 0.00 174.62 171.89 2ckj s ASP 1178N 1.07 2.33 0.09 3.53 1.01 -0.41 -1.23 116.67 123.07 2ckj s ASP 1178Ca -0.06 -0.40 0.09 0.00 0.71 0.00 0.00 52.55 52.89 2ckj s ASP 1178Cb -0.06 -1.04 -0.03 0.00 1.01 0.00 0.00 42.92 42.80 2ckj s ASP 1178CO -0.10 0.01 -0.24 -0.63 0.21 0.00 0.00 175.17 174.42 2ckj s ILE 1179N 0.98 1.99 -0.09 0.77 1.01 0.12 -0.50 121.20 125.49 2ckj s ILE 1179Ca -0.07 -1.54 -0.01 0.00 0.00 0.00 0.00 60.65 59.03 2ckj s ILE 1179Cb -0.15 -1.76 0.03 0.00 0.01 0.00 0.00 42.46 40.59 2ckj s ILE 1179CO -0.01 0.12 0.00 -0.69 0.00 0.00 0.00 174.94 174.36 2ckj s VAL 1180N -0.99 0.44 -0.12 2.92 1.01 -0.86 -1.47 120.40 121.33 2ckj s VAL 1180Ca 0.10 0.00 0.03 0.00 0.00 0.00 0.00 61.98 62.12 2ckj s VAL 1180Cb -0.10 -0.63 0.00 0.00 0.00 0.00 0.00 36.38 35.65 2ckj s VAL 1180CO 0.04 0.20 -0.23 -0.32 0.00 0.00 0.00 175.10 174.79 2ckj s MET 1181N 1.94 3.05 -0.58 2.72 1.75 0.29 -2.07 119.30 126.40 2ckj s MET 1181Ca 0.04 -0.86 -0.26 0.00 -1.25 0.00 0.00 55.69 53.36 2ckj s MET 1181Cb -0.13 -2.36 0.04 0.00 2.84 0.00 0.00 34.83 35.21 2ckj s MET 1181CO -0.06 0.11 1.08 0.34 -0.65 0.00 0.00 175.02 175.84 2ckj s ASP 1182N 0.52 6.37 0.00 1.11 2.15 -0.61 -0.25 116.67 125.97 2ckj s ASP 1182Ca -0.14 -0.16 0.15 0.00 0.43 0.00 0.00 52.55 52.83 2ckj s ASP 1182Cb -0.17 -2.50 0.01 0.00 -0.30 0.00 0.00 42.92 39.96 2ckj s ASP 1182CO 0.05 -1.39 0.85 1.33 -0.17 0.00 0.00 175.17 175.83 2ckj n VAL 1183N 6.42 0.00 -4.07 1.11 0.24 -1.26 -4.36 118.33 116.41 2ckj n VAL 1183Ca 0.05 -0.36 0.00 0.00 -2.04 0.00 0.00 64.34 61.98 2ckj n VAL 1183Cb 0.48 1.20 0.00 0.00 -1.47 0.00 0.00 33.84 34.05 2ckj n VAL 1183CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2ckj n GLY 1184N 1.08 -0.45 3.38 7.63 0.00 -1.26 0.20 105.19 115.78 2ckj n GLY 1184Ca 0.07 -1.11 -0.45 0.00 0.00 0.00 0.00 46.02 44.53 2ckj n GLY 1184CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ckj s SER 1185N -4.00 6.56 0.16 1.61 0.01 -0.41 -4.79 113.70 112.84 2ckj s SER 1185Ca 0.00 -2.13 -0.33 0.00 1.31 0.00 0.00 55.95 54.80 2ckj s SER 1185Cb 0.00 -2.30 -0.16 0.00 0.21 0.00 0.00 66.02 63.77 2ckj s SER 1185CO 0.00 -0.89 1.15 -0.24 0.41 0.00 0.00 173.24 173.68 2ckj n SER 1186N 5.48 1.26 0.28 2.44 2.88 -1.26 -4.16 113.62 120.54 2ckj n SER 1186Ca 0.11 1.14 0.19 0.00 -1.33 0.00 0.00 58.87 58.97 2ckj n SER 1186Cb 0.46 -1.20 0.87 0.00 -0.75 0.00 0.00 64.21 63.59 2ckj n SER 1186CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2ckj h LEU 1187N 3.35 0.00 0.00 2.46 3.38 -1.91 -3.35 115.31 119.24 2ckj h LEU 1187Ca -0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.54 2ckj h LEU 1187Cb 1.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.10 2ckj h LEU 1187CO 0.70 0.00 0.00 -3.20 0.09 0.00 0.00 178.44 176.03 2ckj n ASN 1188N -2.96 0.00 0.12 -0.43 2.85 -1.26 0.31 115.26 113.89 2ckj n ASN 1188Ca -0.01 0.00 0.12 0.00 -0.11 0.00 0.00 54.58 54.59 2ckj n ASN 1188Cb 0.19 0.00 0.46 0.00 1.24 0.00 0.00 39.78 41.68 2ckj n ASN 1188CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 2ckj n PRO 1189N 0.00 0.22 0.06 1.20 -0.05 -1.26 -0.62 135.00 134.55 2ckj n PRO 1189Ca 0.00 0.35 -0.21 0.00 -0.05 0.00 0.00 63.50 63.59 2ckj n PRO 1189Cb 0.00 -1.85 -0.12 0.00 -0.05 0.00 0.00 33.50 31.48 2ckj n PRO 1189CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 2ckj h ALA 1190N 2.36 0.03 0.06 0.55 0.00 -1.89 -3.37 119.26 117.00 2ckj h ALA 1190Ca 0.00 -0.72 -0.00 0.00 0.00 0.00 0.00 54.91 54.19 2ckj h ALA 1190Cb 0.50 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2ckj h ALA 1190CO 0.00 0.60 -0.03 0.82 0.00 0.00 0.00 179.25 180.65 2ckj h ILE 1191N 0.19 1.28 -3.93 0.00 2.04 -1.37 -3.06 117.51 112.66 2ckj h ILE 1191Ca -0.15 -1.43 -0.48 0.00 1.00 0.00 0.00 64.86 63.79 2ckj h ILE 1191Cb 1.75 2.17 0.18 0.00 -0.74 0.00 0.00 36.82 40.17 2ckj h ILE 1191CO 0.20 0.34 0.18 -1.81 0.00 0.00 0.00 178.15 177.07 2ckj s ASP 1192N -5.74 2.70 0.00 1.72 1.01 0.20 -0.54 116.67 116.02 2ckj s ASP 1192Ca -0.15 1.71 0.00 0.00 0.71 0.00 0.00 52.55 54.82 2ckj s ASP 1192Cb 0.00 -2.34 0.00 0.00 1.01 0.00 0.00 42.92 41.59 2ckj s ASP 1192CO 0.60 -3.16 0.00 -0.38 0.21 0.00 0.00 175.17 172.43 2ckj n ILE 1193N -4.24 0.00 -0.13 0.77 5.41 -1.26 -4.05 119.36 115.86 2ckj n ILE 1193Ca 0.07 0.00 -0.06 0.00 1.00 0.00 0.00 62.75 63.76 2ckj n ILE 1193Cb 0.54 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.47 2ckj n ILE 1193CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 2ckj h GLY 1194N 0.00 -0.08 0.93 7.39 0.00 -1.37 0.12 103.07 110.07 2ckj h GLY 1194Ca 0.00 0.35 0.01 0.00 0.00 0.00 0.00 47.33 47.69 2ckj h GLY 1194CO 0.00 -0.21 0.11 -1.61 0.00 0.00 0.00 176.54 174.83 2ckj h GLN 1195N -0.19 0.22 0.58 4.80 5.75 -0.96 -2.93 115.11 122.38 2ckj h GLN 1195Ca 0.20 -0.01 -0.02 0.00 -0.15 0.00 0.00 58.65 58.66 2ckj h GLN 1195Cb 0.50 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 28.99 2ckj h GLN 1195CO -0.54 0.14 -0.46 0.28 -2.65 0.00 0.00 178.83 175.61 2ckj h VAL 1196N 0.23 0.09 -0.49 2.39 2.07 -1.66 -2.88 116.25 116.00 2ckj h VAL 1196Ca 0.08 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.66 2ckj h VAL 1196Cb 0.01 0.09 -0.05 0.00 -1.52 0.00 0.00 31.29 29.81 2ckj h VAL 1196CO -0.05 0.00 0.18 -0.33 0.02 0.00 0.00 177.57 177.40 2ckj h GLU 1197N -1.01 0.35 -0.59 1.57 5.08 -0.85 -2.08 114.58 117.05 2ckj h GLU 1197Ca -0.07 -0.02 0.10 0.00 -1.00 0.00 0.00 59.36 58.37 2ckj h GLU 1197Cb 0.85 -0.08 -0.11 0.00 0.50 0.00 0.00 28.75 29.91 2ckj h GLU 1197CO 0.00 0.23 -0.37 0.78 -1.00 0.00 0.00 179.01 178.66 2ckj h GLY 1198N 0.36 -0.23 0.99 -3.84 0.00 -1.53 0.43 103.07 99.26 2ckj h GLY 1198Ca 0.23 0.48 -0.06 0.00 0.00 0.00 0.00 47.33 47.98 2ckj h GLY 1198CO -0.23 -0.19 0.09 0.00 0.00 0.00 0.00 176.54 176.22 2ckj h ALA 1199N 0.87 0.68 -0.74 3.60 0.00 -1.23 -2.10 119.26 120.34 2ckj h ALA 1199Ca 0.22 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2ckj h ALA 1199Cb 0.56 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 2ckj h ALA 1199CO -0.69 0.41 0.37 0.35 0.00 0.00 0.00 179.25 179.69 2ckj h PHE 1200N 0.73 1.04 -0.53 0.00 3.57 -1.19 0.87 116.94 121.43 2ckj h PHE 1200Ca 0.16 -0.04 -0.08 0.00 3.53 0.00 0.00 57.97 61.54 2ckj h PHE 1200Cb 0.39 -0.33 -0.02 0.00 2.79 0.00 0.00 35.95 38.77 2ckj h PHE 1200CO 0.03 0.75 0.03 0.28 -2.23 0.00 0.00 178.31 177.17 2ckj h VAL 1201N 1.05 1.25 0.00 1.41 2.07 -0.75 -2.50 116.25 118.78 2ckj h VAL 1201Ca 0.26 -1.02 -0.03 0.00 0.82 0.00 0.00 66.70 66.73 2ckj h VAL 1201Cb 0.09 0.81 -0.00 0.00 -1.52 0.00 0.00 31.29 30.66 2ckj h VAL 1201CO -0.04 0.37 -0.15 1.56 0.02 0.00 0.00 177.57 179.33 2ckj h GLN 1202N 0.83 0.00 -0.15 1.57 4.20 -0.16 -2.33 115.11 119.06 2ckj h GLN 1202Ca 0.16 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.75 2ckj h GLN 1202Cb 0.45 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.23 2ckj h GLN 1202CO 0.02 0.15 -0.38 0.78 -0.67 0.00 0.00 178.83 178.73 2ckj h GLY 1203N 1.68 0.57 -0.67 3.46 0.00 -1.13 -1.00 103.07 105.99 2ckj h GLY 1203Ca -0.00 -0.71 0.14 0.00 0.00 0.00 0.00 47.33 46.76 2ckj h GLY 1203CO 0.02 0.64 -0.13 -0.10 0.00 0.00 0.00 176.54 176.97 2ckj n LEU 1204N -4.31 -0.21 0.06 3.11 -0.00 -0.90 -0.77 117.00 113.99 2ckj n LEU 1204Ca -0.07 1.14 -0.10 0.00 -0.00 0.00 0.00 56.01 56.98 2ckj n LEU 1204Cb 0.52 -0.36 -0.07 0.00 -0.00 0.00 0.00 43.42 43.51 2ckj n LEU 1204CO 0.44 -1.11 0.38 1.23 -0.00 0.00 0.00 177.39 178.34 2ckj h GLY 1205N 0.00 -0.24 0.62 -3.96 0.00 -1.22 -2.37 103.07 95.90 2ckj h GLY 1205Ca 0.34 0.09 0.13 0.00 0.00 0.00 0.00 47.33 47.88 2ckj h GLY 1205CO -0.67 -0.09 0.56 -2.00 0.00 0.00 0.00 176.54 174.34 2ckj h LEU 1206N -0.88 0.66 0.00 3.11 5.85 -0.58 -1.85 115.31 121.62 2ckj h LEU 1206Ca -0.02 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.73 2ckj h LEU 1206Cb 0.52 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.45 2ckj h LEU 1206CO 0.04 0.35 -0.96 0.49 -0.34 0.00 0.00 178.44 178.02 2ckj n PHE 1207N -4.54 0.03 -0.40 1.25 0.99 0.05 -4.59 117.46 110.26 2ckj n PHE 1207Ca 0.16 0.01 0.00 0.00 -0.00 0.00 0.00 57.45 57.62 2ckj n PHE 1207Cb 0.42 -0.14 0.00 0.00 -1.00 0.00 0.00 39.48 38.76 2ckj n PHE 1207CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 2ckj n THR 1208N -1.61 0.00 0.00 4.37 -2.24 -0.89 -1.10 114.28 112.81 2ckj n THR 1208Ca 0.04 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 2ckj n THR 1208Cb 0.36 1.40 0.00 0.00 -2.10 0.00 0.00 70.33 69.99 2ckj n THR 1208CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 2ckj n LEU 1209N -0.06 0.00 -4.61 3.22 7.94 -0.92 -3.69 117.00 118.88 2ckj n LEU 1209Ca 0.00 0.00 -0.41 0.00 -1.11 0.00 0.00 56.01 54.49 2ckj n LEU 1209Cb 0.10 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 43.99 2ckj n LEU 1209CO 0.00 0.00 0.43 -1.61 -1.11 0.00 0.00 177.39 175.10 2ckj s GLU 1210N -1.00 4.01 -0.11 1.96 2.02 -0.74 -4.60 118.70 120.24 2ckj s GLU 1210Ca 0.00 0.47 0.03 0.00 0.02 0.00 0.00 54.97 55.49 2ckj s GLU 1210Cb 0.00 -3.69 -0.00 0.00 0.10 0.00 0.00 34.13 30.54 2ckj s GLU 1210CO 0.00 -0.51 -0.21 -2.00 0.02 0.00 0.00 175.26 172.56 2ckj s GLU 1211N 2.61 3.11 -0.09 1.61 2.12 -1.26 -4.80 118.70 122.01 2ckj s GLU 1211Ca 0.27 -0.83 -0.09 0.00 0.36 0.00 0.00 54.97 54.68 2ckj s GLU 1211Cb -0.15 -2.40 -0.04 0.00 0.26 0.00 0.00 34.13 31.80 2ckj s GLU 1211CO 0.10 0.14 0.21 -0.51 -0.54 0.00 0.00 175.26 174.66 2ckj s LEU 1212N 0.45 4.41 -0.09 2.70 1.02 -1.26 -4.87 118.68 121.03 2ckj s LEU 1212Ca -0.15 0.58 0.04 0.00 0.02 0.00 0.00 54.13 54.62 2ckj s LEU 1212Cb -0.17 -2.22 -0.01 0.00 0.02 0.00 0.00 46.19 43.81 2ckj s LEU 1212CO 0.06 0.38 -0.22 -1.00 0.02 0.00 0.00 176.35 175.60 2ckj s HIS 1213N -1.06 2.58 -0.06 0.29 3.76 -1.26 -5.02 115.29 114.52 2ckj s HIS 1213Ca 0.18 -0.85 0.05 0.00 -0.15 0.00 0.00 55.06 54.29 2ckj s HIS 1213Cb -0.13 -1.70 -0.01 0.00 1.11 0.00 0.00 32.58 31.84 2ckj s HIS 1213CO 0.07 -0.30 -0.22 0.71 -0.85 0.00 0.00 174.74 174.14 2ckj s TYR 1214N 0.17 2.51 0.45 1.40 1.51 -1.26 -1.91 117.35 120.22 2ckj s TYR 1214Ca -0.12 -0.62 -0.21 0.00 -1.01 0.00 0.00 57.07 55.11 2ckj s TYR 1214Cb -0.16 -1.63 -0.14 0.00 -0.11 0.00 0.00 41.96 39.92 2ckj s TYR 1214CO 0.07 -0.15 0.24 -1.13 -1.11 0.00 0.00 175.55 173.47 2ckj n SER 1215N 2.90 -2.19 0.25 2.29 3.41 -0.92 -4.24 113.62 115.12 2ckj n SER 1215Ca -0.17 0.80 0.09 0.00 -0.26 0.00 0.00 58.87 59.33 2ckj n SER 1215Cb 0.52 -0.98 0.64 0.00 -0.26 0.00 0.00 64.21 64.13 2ckj n SER 1215CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 2ckj h PRO 1216N 0.39 0.00 -0.01 4.33 0.13 -1.74 0.35 132.00 135.45 2ckj h PRO 1216Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 2ckj h PRO 1216Cb 1.43 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.56 2ckj h PRO 1216CO 0.47 0.00 -0.29 -0.85 -0.23 0.00 0.00 178.00 177.11 2ckj n GLU 1217N -4.53 0.71 0.00 0.86 0.00 -1.26 -5.02 120.64 111.41 2ckj n GLU 1217Ca -0.02 -0.42 0.00 0.00 0.00 0.00 0.00 57.16 56.72 2ckj n GLU 1217Cb 0.12 -1.49 0.00 0.00 0.00 0.00 0.00 31.44 30.07 2ckj n GLU 1217CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2ckj n GLY 1218N 1.36 1.55 3.82 -1.84 0.00 0.12 -4.74 105.19 105.47 2ckj n GLY 1218Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 2ckj n GLY 1218CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ckj s SER 1219N -2.00 6.90 0.13 1.61 0.15 -1.26 -4.63 113.70 114.59 2ckj s SER 1219Ca 0.00 1.06 -0.31 0.00 0.70 0.00 0.00 55.95 57.41 2ckj s SER 1219Cb 0.00 -2.29 -0.08 0.00 -1.71 0.00 0.00 66.02 61.94 2ckj s SER 1219CO 0.00 0.30 1.29 -0.22 1.20 0.00 0.00 173.24 175.81 2ckj s LEU 1220N -1.03 4.39 0.04 3.45 2.96 -1.26 -2.17 118.68 125.06 2ckj s LEU 1220Ca 0.26 2.25 0.22 0.00 -0.22 0.00 0.00 54.13 56.64 2ckj s LEU 1220Cb -0.18 -3.59 -0.20 0.00 0.50 0.00 0.00 46.19 42.72 2ckj s LEU 1220CO 0.15 -0.54 0.72 1.41 -1.32 0.00 0.00 176.35 176.77 2ckj n HIS 1221N 3.42 0.26 -3.89 5.38 8.25 -0.80 -4.86 115.22 122.97 2ckj n HIS 1221Ca 0.09 0.08 -0.34 0.00 -0.26 0.00 0.00 57.72 57.29 2ckj n HIS 1221Cb 0.44 -0.56 -0.13 0.00 1.12 0.00 0.00 29.99 30.85 2ckj n HIS 1221CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 2ckj s THR 1222N -3.40 2.81 -0.14 1.59 -1.32 -1.26 -4.99 115.64 108.93 2ckj s THR 1222Ca -0.03 -2.26 0.16 0.00 -1.21 0.00 0.00 61.69 58.35 2ckj s THR 1222Cb 0.13 -2.98 0.40 0.00 -1.51 0.00 0.00 72.50 68.54 2ckj s THR 1222CO 0.86 -0.66 1.19 0.54 -2.21 0.00 0.00 174.62 174.35 2ckj n ARG 1223N 4.36 1.04 -3.60 7.08 1.74 -1.26 -4.83 116.66 121.19 2ckj n ARG 1223Ca 0.01 -2.81 0.01 0.00 -0.77 0.00 0.00 57.85 54.30 2ckj n ARG 1223Cb 0.41 -1.09 -0.01 0.00 -1.02 0.00 0.00 32.46 30.76 2ckj n ARG 1223CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2ckj s GLY 1224N -2.78 -0.40 0.24 -0.13 0.00 -1.26 -3.87 107.32 99.12 2ckj s GLY 1224Ca 0.35 1.07 0.08 0.00 0.00 0.00 0.00 44.72 46.23 2ckj s GLY 1224CO -0.09 0.26 1.10 -1.55 0.00 0.00 0.00 173.10 172.81 2ckj n PRO 1225N -0.38 0.06 -0.07 2.90 -0.04 -1.26 -0.38 135.00 135.82 2ckj n PRO 1225Ca -0.06 0.48 -0.13 0.00 -0.04 0.00 0.00 63.50 63.75 2ckj n PRO 1225Cb 0.62 -2.03 -0.09 0.00 -0.04 0.00 0.00 33.50 31.96 2ckj n PRO 1225CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2ckj h SER 1226N 0.00 0.00 0.44 3.54 4.64 -1.94 -3.41 113.55 116.82 2ckj h SER 1226Ca 0.00 -0.62 -0.28 0.00 -0.47 0.00 0.00 61.79 60.42 2ckj h SER 1226Cb 0.68 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.72 2ckj h SER 1226CO 0.00 1.01 -1.77 0.35 -0.87 0.00 0.00 176.83 175.55 2ckj n THR 1227N -4.60 1.50 -3.19 2.95 -2.24 -0.15 -4.62 114.28 103.93 2ckj n THR 1227Ca -0.13 -0.79 -0.43 0.00 -2.27 0.00 0.00 64.05 60.43 2ckj n THR 1227Cb 0.43 -0.90 -0.07 0.00 -2.10 0.00 0.00 70.33 67.68 2ckj n THR 1227CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 2ckj s TYR 1228N -2.64 3.11 -0.93 4.78 5.04 0.48 -4.91 117.35 122.28 2ckj s TYR 1228Ca -0.05 -0.10 -0.12 0.00 -2.44 0.00 0.00 57.07 54.35 2ckj s TYR 1228Cb 0.08 -3.15 0.24 0.00 0.35 0.00 0.00 41.96 39.47 2ckj s TYR 1228CO 0.82 -0.77 0.89 0.15 -1.34 0.00 0.00 175.55 175.30 2ckj s LYS 1229N 2.56 3.81 0.76 4.97 -0.14 -1.26 -4.18 119.74 126.26 2ckj s LYS 1229Ca 0.19 -2.72 -0.11 0.00 -1.36 0.00 0.00 55.97 51.97 2ckj s LYS 1229Cb -0.15 -4.48 0.05 0.00 -1.68 0.00 0.00 37.83 31.57 2ckj s LYS 1229CO 0.17 -1.28 1.08 0.96 -0.76 0.00 0.00 175.35 175.52 2ckj s ILE 1230N -0.31 3.45 0.23 2.17 -4.36 -1.26 -4.39 121.20 116.73 2ckj s ILE 1230Ca 0.22 0.47 -0.28 0.00 -0.26 0.00 0.00 60.65 60.80 2ckj s ILE 1230Cb -0.10 -3.14 -0.09 0.00 1.25 0.00 0.00 42.46 40.38 2ckj s ILE 1230CO -0.09 -0.62 0.89 -2.16 0.24 0.00 0.00 174.94 173.21 2ckj s PRO 1231N -5.05 4.75 0.18 0.37 0.04 -1.26 -5.01 135.00 129.02 2ckj s PRO 1231Ca 0.60 1.38 0.02 0.00 0.04 0.00 0.00 61.00 63.04 2ckj s PRO 1231Cb -0.15 -3.23 0.02 0.00 0.04 0.00 0.00 34.50 31.18 2ckj s PRO 1231CO 0.55 0.51 0.19 0.00 0.04 0.00 0.00 177.00 178.29 2ckj n ALA 1232N 1.43 0.33 0.05 8.56 0.00 -1.26 -4.85 120.51 124.77 2ckj n ALA 1232Ca -0.03 -0.67 -0.12 0.00 0.00 0.00 0.00 53.44 52.62 2ckj n ALA 1232Cb 0.48 0.23 -0.07 0.00 0.00 0.00 0.00 19.45 20.09 2ckj n ALA 1232CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 2ckj h PHE 1233N 0.29 -0.03 0.00 0.00 -1.00 -1.85 -0.21 116.94 114.14 2ckj h PHE 1233Ca -0.10 -0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.68 2ckj h PHE 1233Cb 0.39 0.01 0.00 0.00 3.61 0.00 0.00 35.95 39.96 2ckj h PHE 1233CO 0.00 -0.02 0.19 0.41 -1.61 0.00 0.00 178.31 177.28 2ckj n GLY 1234N -1.10 -0.20 0.00 -1.45 0.00 -1.26 -3.64 105.19 97.54 2ckj n GLY 1234Ca -0.07 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.01 2ckj n GLY 1234CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2ckj n SER 1235N -1.15 1.24 -4.72 1.61 7.64 -0.09 -4.98 113.62 113.17 2ckj n SER 1235Ca 0.00 -0.40 -0.36 0.00 1.01 0.00 0.00 58.87 59.11 2ckj n SER 1235Cb 0.19 1.32 0.08 0.00 -1.01 0.00 0.00 64.21 64.79 2ckj n SER 1235CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 2ckj s ILE 1236N -2.62 2.00 0.45 0.44 -5.25 -1.24 -4.86 121.20 110.12 2ckj s ILE 1236Ca -0.00 0.00 -0.22 0.00 -0.99 0.00 0.00 60.65 59.44 2ckj s ILE 1236Cb 0.10 -2.90 -0.11 0.00 2.95 0.00 0.00 42.46 42.50 2ckj s ILE 1236CO 0.57 -0.00 0.69 -0.81 -1.79 0.00 0.00 174.94 173.59 2ckj n PRO 1237N -2.17 0.78 -0.01 0.37 -0.04 -1.26 -4.79 135.00 127.88 2ckj n PRO 1237Ca 0.16 0.29 -0.13 0.00 -0.04 0.00 0.00 63.50 63.78 2ckj n PRO 1237Cb 0.48 -1.70 -0.10 0.00 -0.04 0.00 0.00 33.50 32.14 2ckj n PRO 1237CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 2ckj h ILE 1238N 0.91 1.36 -3.70 0.52 1.08 -1.50 -3.39 117.51 112.79 2ckj h ILE 1238Ca -0.42 -1.48 -0.68 0.00 -0.39 0.00 0.00 64.86 61.88 2ckj h ILE 1238Cb 1.38 2.32 -0.21 0.00 -3.07 0.00 0.00 36.82 37.24 2ckj h ILE 1238CO 0.52 0.36 -0.72 -1.83 -0.69 0.00 0.00 178.15 175.80 2ckj s GLU 1239N -3.44 2.81 -0.49 2.37 -1.05 -1.13 -4.90 118.70 112.86 2ckj s GLU 1239Ca -0.16 -0.59 0.03 0.00 -0.15 0.00 0.00 54.97 54.10 2ckj s GLU 1239Cb -0.00 -2.57 0.14 0.00 -0.44 0.00 0.00 34.13 31.27 2ckj s GLU 1239CO 0.62 0.59 0.29 0.12 0.95 0.00 0.00 175.26 177.83 2ckj s PHE 1240N -0.62 2.35 -0.34 4.83 5.99 -1.26 -1.95 117.98 126.98 2ckj s PHE 1240Ca 0.09 -2.68 -0.16 0.00 0.00 0.00 0.00 56.93 54.18 2ckj s PHE 1240Cb -0.11 -2.08 -0.01 0.00 0.00 0.00 0.00 43.02 40.81 2ckj s PHE 1240CO 0.02 -0.74 0.38 0.50 -0.00 0.00 0.00 175.22 175.37 2ckj s ARG 1241N -0.06 3.58 -0.04 10.12 3.52 -0.36 -3.94 118.95 131.77 2ckj s ARG 1241Ca 0.20 -0.37 0.01 0.00 -0.13 0.00 0.00 55.73 55.44 2ckj s ARG 1241Cb -0.19 -3.80 -0.03 0.00 -1.56 0.00 0.00 34.95 29.37 2ckj s ARG 1241CO -0.04 -0.53 -0.06 0.08 -0.81 0.00 0.00 175.30 173.94 2ckj s VAL 1242N 2.06 3.77 -0.17 7.11 1.01 -0.98 0.15 120.40 133.35 2ckj s VAL 1242Ca 0.13 -0.57 -0.09 0.00 0.00 0.00 0.00 61.98 61.45 2ckj s VAL 1242Cb -0.16 -2.59 0.06 0.00 0.00 0.00 0.00 36.38 33.69 2ckj s VAL 1242CO 0.12 0.51 0.41 -0.94 0.00 0.00 0.00 175.10 175.20 2ckj s SER 1243N -1.08 -0.48 0.04 3.32 1.04 -0.54 -0.76 113.70 115.24 2ckj s SER 1243Ca 0.15 0.90 -0.21 0.00 0.48 0.00 0.00 55.95 57.26 2ckj s SER 1243Cb -0.11 0.84 -0.06 0.00 0.10 0.00 0.00 66.02 66.79 2ckj s SER 1243CO 0.04 -0.20 0.64 -0.76 0.98 0.00 0.00 173.24 173.94 2ckj s LEU 1244N 1.56 4.47 0.00 2.42 1.43 -0.75 -0.55 118.68 127.26 2ckj s LEU 1244Ca -0.09 1.29 -0.28 0.00 -1.03 0.00 0.00 54.13 54.02 2ckj s LEU 1244Cb -0.09 -3.01 -0.04 0.00 0.03 0.00 0.00 46.19 43.09 2ckj s LEU 1244CO -0.13 0.14 0.91 -0.22 0.23 0.00 0.00 176.35 177.29 2ckj s LEU 1245N -0.50 4.38 0.40 1.79 2.96 0.65 -4.65 118.68 123.71 2ckj s LEU 1245Ca 0.32 1.57 -0.08 0.00 -0.22 0.00 0.00 54.13 55.72 2ckj s LEU 1245Cb -0.19 -3.46 -0.06 0.00 0.50 0.00 0.00 46.19 42.98 2ckj s LEU 1245CO 0.20 -0.19 0.74 0.00 -1.32 0.00 0.00 176.35 175.77 2ckj s ARG 1246N 0.79 3.70 -0.60 1.98 1.70 -1.26 -4.60 118.95 120.66 2ckj s ARG 1246Ca 0.48 0.33 -0.21 0.00 -0.47 0.00 0.00 55.73 55.86 2ckj s ARG 1246Cb -0.21 -2.43 0.03 0.00 -0.57 0.00 0.00 34.95 31.78 2ckj s ARG 1246CO 0.26 -0.04 0.64 -0.25 -1.08 0.00 0.00 175.30 174.84 2ckj n ASP 1247N -1.46 -5.57 -2.72 -2.89 8.00 -1.26 -5.02 116.55 105.63 2ckj n ASP 1247Ca 0.01 -0.40 -0.07 0.00 0.71 0.00 0.00 54.79 55.04 2ckj n ASP 1247Cb 0.54 -2.13 0.07 0.00 -0.02 0.00 0.00 41.12 39.58 2ckj n ASP 1247CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2ckj s PRO 1249N 0.43 4.53 -0.43 0.00 0.05 -1.26 -4.53 135.00 133.78 2ckj s PRO 1249Ca 0.27 1.69 -0.09 0.00 0.05 0.00 0.00 61.00 62.92 2ckj s PRO 1249Cb 0.25 -3.02 0.09 0.00 0.05 0.00 0.00 34.50 31.87 2ckj s PRO 1249CO -0.16 0.14 0.29 1.21 0.05 0.00 0.00 177.00 178.53 2ckj s ASN 1250N -1.10 5.68 0.00 6.66 2.47 -1.13 -4.96 114.94 122.55 2ckj s ASN 1250Ca 0.48 -1.58 0.30 0.00 0.42 0.00 0.00 52.86 52.47 2ckj s ASN 1250Cb -0.29 -2.00 1.79 0.00 -1.45 0.00 0.00 41.25 39.30 2ckj s ASN 1250CO 0.36 -0.58 2.15 2.29 -3.72 0.00 0.00 177.10 177.61 2ckj n LYS 1251N 4.93 0.99 -0.11 0.43 2.85 -1.26 -3.49 118.16 122.50 2ckj n LYS 1251Ca -0.10 0.00 0.11 0.00 -1.05 0.00 0.00 58.31 57.27 2ckj n LYS 1251Cb 0.42 -1.47 0.31 0.00 -0.65 0.00 0.00 35.03 33.64 2ckj n LYS 1251CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 2ckj n LYS 1252N -0.97 2.00 -3.70 -1.58 5.02 -1.26 -4.93 118.16 112.74 2ckj n LYS 1252Ca 0.23 -1.51 -0.14 0.00 -2.02 0.00 0.00 58.31 54.87 2ckj n LYS 1252Cb 0.10 -1.43 -0.09 0.00 -0.02 0.00 0.00 35.03 33.59 2ckj n LYS 1252CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2ckj s ALA 1253N -1.70 -1.19 0.00 7.82 0.00 -1.23 -5.07 121.76 120.40 2ckj s ALA 1253Ca 0.34 1.27 -0.09 0.00 0.00 0.00 0.00 51.96 53.48 2ckj s ALA 1253Cb 0.19 -0.68 -0.05 0.00 0.00 0.00 0.00 23.12 22.59 2ckj s ALA 1253CO 0.28 -0.24 0.24 1.51 0.00 0.00 0.00 175.76 177.55 2ckj n ILE 1254N 2.59 0.04 -2.48 0.00 3.06 -1.26 -1.64 119.36 119.66 2ckj n ILE 1254Ca -0.14 -0.01 -0.04 0.00 -2.50 0.00 0.00 62.75 60.05 2ckj n ILE 1254Cb 0.57 0.00 -0.01 0.00 0.54 0.00 0.00 39.64 40.73 2ckj n ILE 1254CO 0.00 0.00 0.00 -1.22 -2.50 0.00 0.00 176.55 172.83 2ckj n TYR 1255N 0.33 -0.16 -1.43 9.51 4.02 -1.26 -1.55 117.16 126.62 2ckj n TYR 1255Ca 0.05 0.08 -0.07 0.00 -0.01 0.00 0.00 57.90 57.95 2ckj n TYR 1255Cb 0.02 -0.32 -0.02 0.00 -0.02 0.00 0.00 39.34 39.00 2ckj n TYR 1255CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2ckj n ALA 1256N -1.31 -0.12 -2.73 -0.72 0.00 -0.65 -4.83 120.51 110.14 2ckj n ALA 1256Ca -0.03 0.09 -0.30 0.00 0.00 0.00 0.00 53.44 53.20 2ckj n ALA 1256Cb 0.08 -1.00 -0.07 0.00 0.00 0.00 0.00 19.45 18.46 2ckj n ALA 1256CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2ckj s SER 1257N -2.87 5.30 0.26 0.00 1.04 -0.60 -1.28 113.70 115.54 2ckj s SER 1257Ca 0.00 -0.08 0.05 0.00 0.48 0.00 0.00 55.95 56.40 2ckj s SER 1257Cb 0.00 -1.35 -0.03 0.00 0.10 0.00 0.00 66.02 64.74 2ckj s SER 1257CO 0.00 0.17 0.37 -0.54 0.98 0.00 0.00 173.24 174.22 2ckj s LYS 1258N -2.35 3.33 0.73 4.02 1.02 0.54 -4.68 119.74 122.36 2ckj s LYS 1258Ca 0.28 -0.84 -0.14 0.00 0.02 0.00 0.00 55.97 55.29 2ckj s LYS 1258Cb -0.12 -2.85 0.04 0.00 -0.52 0.00 0.00 37.83 34.38 2ckj s LYS 1258CO 0.20 0.36 1.14 0.00 -0.92 0.00 0.00 175.35 176.13 2ckj s ALA 1259N -2.03 2.20 0.00 5.17 0.00 -1.26 -4.84 121.76 121.00 2ckj s ALA 1259Ca 0.36 0.61 0.00 0.00 0.00 0.00 0.00 51.96 52.93 2ckj s ALA 1259Cb -0.09 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.66 2ckj s ALA 1259CO 0.29 -1.72 0.00 1.55 0.00 0.00 0.00 175.76 175.88 2ckj n VAL 1260N -2.91 0.00 -0.01 0.00 3.14 -1.26 -4.88 118.33 112.41 2ckj n VAL 1260Ca 0.11 -0.03 -0.00 0.00 -2.96 0.00 0.00 64.34 61.46 2ckj n VAL 1260Cb 0.52 0.36 -0.00 0.00 -1.06 0.00 0.00 33.84 33.65 2ckj n VAL 1260CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2ckj n GLY 1261N 0.35 -0.08 0.02 7.55 0.00 -1.26 -4.26 105.19 107.51 2ckj n GLY 1261Ca 0.00 0.03 -0.03 0.00 0.00 0.00 0.00 46.02 46.02 2ckj n GLY 1261CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ckj n GLU 1262N -3.70 0.17 -0.33 1.61 1.02 -1.26 -4.75 120.64 113.40 2ckj n GLU 1262Ca 0.00 0.03 0.22 0.00 -0.02 0.00 0.00 57.16 57.38 2ckj n GLU 1262Cb 0.01 -1.09 0.42 0.00 -0.02 0.00 0.00 31.44 30.75 2ckj n GLU 1262CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 2ckj h PRO 1263N 0.00 0.04 0.00 3.49 0.11 -1.94 -0.93 132.00 132.77 2ckj h PRO 1263Ca -0.10 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.01 2ckj h PRO 1263Cb 1.16 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2ckj h PRO 1263CO -0.02 0.03 0.00 -0.35 -0.21 0.00 0.00 178.00 177.45 2ckj n PRO 1264N -5.35 0.23 -0.17 1.05 -0.04 -1.26 -3.57 135.00 125.89 2ckj n PRO 1264Ca 0.29 0.35 -0.02 0.00 -0.04 0.00 0.00 63.50 64.08 2ckj n PRO 1264Cb 0.97 -1.85 0.21 0.00 -0.04 0.00 0.00 33.50 32.78 2ckj n PRO 1264CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 2ckj h LEU 1265N 0.00 0.82 -1.74 1.53 6.46 -1.35 -2.89 115.31 118.14 2ckj h LEU 1265Ca 0.00 -0.10 0.01 0.00 -0.12 0.00 0.00 57.88 57.67 2ckj h LEU 1265Cb 0.51 -0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 40.22 2ckj h LEU 1265CO 0.00 0.71 0.18 0.15 -0.62 0.00 0.00 178.44 178.87 2ckj h PHE 1266N 0.89 0.34 0.00 1.25 -0.00 -1.76 -3.27 116.94 114.39 2ckj h PHE 1266Ca 0.22 0.01 0.00 0.00 -0.00 0.00 0.00 57.97 58.19 2ckj h PHE 1266Cb 0.13 -0.11 0.00 0.00 -0.00 0.00 0.00 35.95 35.97 2ckj h PHE 1266CO 0.01 0.21 0.21 1.28 -0.00 0.00 0.00 178.31 180.02 2ckj n LEU 1267N -4.50 0.00 0.05 0.59 4.77 -1.09 -0.76 117.00 116.07 2ckj n LEU 1267Ca 0.01 0.28 -0.01 0.00 -0.03 0.00 0.00 56.01 56.27 2ckj n LEU 1267Cb 0.08 -0.28 0.27 0.00 -2.33 0.00 0.00 43.42 41.16 2ckj n LEU 1267CO 0.35 -0.28 0.80 0.00 -1.33 0.00 0.00 177.39 176.92 2ckj h ALA 1268N 1.16 1.26 -0.18 -1.18 0.00 -1.78 -2.81 119.26 115.73 2ckj h ALA 1268Ca 0.00 -0.29 0.03 0.00 0.00 0.00 0.00 54.91 54.65 2ckj h ALA 1268Cb 0.41 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 2ckj h ALA 1268CO 0.00 0.49 -0.05 0.00 0.00 0.00 0.00 179.25 179.68 2ckj n ALA 1269N -2.48 0.02 -0.34 0.00 0.00 0.07 0.98 120.51 118.75 2ckj n ALA 1269Ca -0.00 0.19 0.16 0.00 0.00 0.00 0.00 53.44 53.79 2ckj n ALA 1269Cb 0.35 -0.10 0.36 0.00 0.00 0.00 0.00 19.45 20.06 2ckj n ALA 1269CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2ckj h SER 1270N 0.00 0.64 -0.28 0.00 4.64 -1.74 0.75 113.55 117.57 2ckj h SER 1270Ca 0.08 0.13 -0.10 0.00 -0.47 0.00 0.00 61.79 61.43 2ckj h SER 1270Cb 0.12 0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 62.23 2ckj h SER 1270CO -0.18 0.12 -0.17 0.40 -0.87 0.00 0.00 176.83 176.12 2ckj h ILE 1271N 0.58 1.26 -0.57 0.95 2.04 0.37 -0.56 117.51 121.58 2ckj h ILE 1271Ca 0.62 -1.24 -0.04 0.00 1.00 0.00 0.00 64.86 65.20 2ckj h ILE 1271Cb 1.15 1.15 -0.02 0.00 -0.74 0.00 0.00 36.82 38.36 2ckj h ILE 1271CO -0.47 0.41 0.20 0.15 0.00 0.00 0.00 178.15 178.45 2ckj h PHE 1272N 0.65 0.89 0.00 1.37 3.57 -0.69 -2.43 116.94 120.30 2ckj h PHE 1272Ca 0.10 -0.08 -0.07 0.00 3.53 0.00 0.00 57.97 61.45 2ckj h PHE 1272Cb 0.65 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 2ckj h PHE 1272CO 0.03 0.73 -0.35 0.74 -2.23 0.00 0.00 178.31 177.23 2ckj h PHE 1273N 0.79 0.00 0.00 0.41 -1.00 -0.94 -1.49 116.94 114.71 2ckj h PHE 1273Ca 0.19 0.00 -0.12 0.00 2.81 0.00 0.00 57.97 60.84 2ckj h PHE 1273Cb 0.24 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.78 2ckj h PHE 1273CO 0.01 0.35 -0.59 0.00 -1.61 0.00 0.00 178.31 176.47 2ckj h ALA 1274N 1.65 0.74 0.11 2.45 0.00 -1.06 -0.86 119.26 122.28 2ckj h ALA 1274Ca -0.00 -0.54 -0.29 0.00 0.00 0.00 0.00 54.91 54.07 2ckj h ALA 1274Cb 0.92 -0.10 0.03 0.00 0.00 0.00 0.00 17.79 18.64 2ckj h ALA 1274CO 0.05 0.74 -1.22 0.82 0.00 0.00 0.00 179.25 179.64 2ckj h ILE 1275N 0.00 1.28 0.00 0.00 2.04 -1.20 -2.88 117.51 116.76 2ckj h ILE 1275Ca -0.01 -2.43 -0.01 0.00 1.00 0.00 0.00 64.86 63.41 2ckj h ILE 1275Cb 1.28 2.66 -0.00 0.00 -0.74 0.00 0.00 36.82 40.02 2ckj h ILE 1275CO 0.08 0.74 -0.06 0.50 0.00 0.00 0.00 178.15 179.40 2ckj h LYS 1276N 0.28 0.00 -0.12 2.37 3.64 -0.89 -2.15 116.57 119.71 2ckj h LYS 1276Ca -0.18 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.15 2ckj h LYS 1276Cb 1.89 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.70 2ckj h LYS 1276CO 0.23 0.06 -0.10 0.22 -2.27 0.00 0.00 179.45 177.60 2ckj h ASP 1277N 0.00 0.29 0.43 4.20 3.58 -1.08 -2.53 116.42 121.31 2ckj h ASP 1277Ca -0.00 -0.46 -0.13 0.00 0.42 0.00 0.00 57.03 56.86 2ckj h ASP 1277Cb 0.12 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 41.08 2ckj h ASP 1277CO 0.01 0.69 -0.55 0.00 -2.88 0.00 0.00 179.24 176.51 2ckj h ALA 1278N 0.61 1.00 -0.70 -0.78 0.00 -1.19 -1.43 119.26 116.77 2ckj h ALA 1278Ca 0.02 -0.50 0.11 0.00 0.00 0.00 0.00 54.91 54.54 2ckj h ALA 1278Cb 0.60 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.23 2ckj h ALA 1278CO 0.03 0.69 0.29 0.82 0.00 0.00 0.00 179.25 181.08 2ckj h ILE 1279N 0.10 0.75 -0.04 0.00 2.04 -1.25 -1.67 117.51 117.43 2ckj h ILE 1279Ca -0.00 -0.17 0.01 0.00 1.00 0.00 0.00 64.86 65.70 2ckj h ILE 1279Cb 1.00 0.22 -0.02 0.00 -0.74 0.00 0.00 36.82 37.29 2ckj h ILE 1279CO 0.08 0.09 -0.13 0.03 0.00 0.00 0.00 178.15 178.22 2ckj h ARG 1280N 0.48 -0.12 -1.25 2.37 2.47 -0.83 -2.05 114.38 115.45 2ckj h ARG 1280Ca 0.36 0.01 0.36 0.00 -1.26 0.00 0.00 59.98 59.45 2ckj h ARG 1280Cb 0.47 0.03 -0.05 0.00 -1.65 0.00 0.00 29.97 28.77 2ckj h ARG 1280CO -0.33 -0.08 1.08 0.00 0.56 0.00 0.00 179.97 181.19 2ckj h ALA 1281N -1.13 3.14 0.03 0.04 0.00 -1.09 0.17 119.26 120.42 2ckj h ALA 1281Ca 0.01 -0.04 -0.32 0.00 0.00 0.00 0.00 54.91 54.55 2ckj h ALA 1281Cb 0.15 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 2ckj h ALA 1281CO -0.11 -1.72 -1.87 0.00 0.00 0.00 0.00 179.25 175.55 2ckj n ALA 1282N -2.58 1.34 -0.06 0.00 0.00 -0.99 -3.71 120.51 114.52 2ckj n ALA 1282Ca 0.27 -0.78 -0.01 0.00 0.00 0.00 0.00 53.44 52.93 2ckj n ALA 1282Cb 1.47 -0.72 0.27 0.00 0.00 0.00 0.00 19.45 20.46 2ckj n ALA 1282CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ckj h ARG 1283N 0.02 0.66 0.00 0.00 3.08 0.02 -2.71 114.38 115.44 2ckj h ARG 1283Ca -0.35 -0.12 -0.07 0.00 0.07 0.00 0.00 59.98 59.50 2ckj h ARG 1283Cb 2.04 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 31.97 2ckj h ARG 1283CO 0.07 0.61 -0.35 0.00 -1.07 0.00 0.00 179.97 179.23 2ckj h ALA 1284N 1.47 0.92 0.25 0.04 0.00 -1.41 -2.25 119.26 118.28 2ckj h ALA 1284Ca 0.15 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 2ckj h ALA 1284Cb 0.26 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2ckj h ALA 1284CO -0.00 0.44 -0.12 0.37 0.00 0.00 0.00 179.25 179.93 2ckj h GLN 1285N 0.00 -0.33 -0.71 0.00 4.15 -1.57 -3.38 115.11 113.28 2ckj h GLN 1285Ca -0.00 0.02 -0.20 0.00 0.77 0.00 0.00 58.65 59.24 2ckj h GLN 1285Cb 0.97 0.07 -0.12 0.00 0.21 0.00 0.00 27.48 28.62 2ckj h GLN 1285CO 0.05 0.03 0.24 0.72 -1.93 0.00 0.00 178.83 177.94 2ckj n HIS 1286N -5.05 2.38 -1.17 3.99 8.25 -1.12 -4.32 115.22 118.18 2ckj n HIS 1286Ca -0.09 -1.18 0.07 0.00 -0.26 0.00 0.00 57.72 56.26 2ckj n HIS 1286Cb 0.26 -0.67 0.20 0.00 1.12 0.00 0.00 29.99 30.90 2ckj n HIS 1286CO 0.00 0.00 0.00 -2.37 0.64 0.00 0.00 176.34 174.61 2ckj n THR 1287N -0.14 2.17 0.00 1.59 5.66 -0.85 -4.63 114.28 118.08 2ckj n THR 1287Ca 0.40 -2.34 0.00 0.00 -3.05 0.00 0.00 64.05 59.06 2ckj n THR 1287Cb 1.36 -0.26 0.00 0.00 -1.55 0.00 0.00 70.33 69.88 2ckj n THR 1287CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2ckj n GLY 1288N -1.05 0.24 0.00 1.09 0.00 -1.26 -4.36 105.19 99.85 2ckj n GLY 1288Ca 0.21 0.58 0.00 0.00 0.00 0.00 0.00 46.02 46.80 2ckj n GLY 1288CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2ckj n ASN 1289N 1.52 0.00 -2.77 1.61 6.94 -1.26 -4.75 115.26 116.55 2ckj n ASN 1289Ca 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 54.58 54.54 2ckj n ASN 1289Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 2ckj n ASN 1289CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 2ckj n ASN 1290N 0.00 -7.98 0.00 0.53 3.02 -1.26 -4.72 115.26 104.84 2ckj n ASN 1290Ca 0.00 1.23 0.00 0.00 -0.03 0.00 0.00 54.58 55.78 2ckj n ASN 1290Cb 0.00 -5.23 0.00 0.00 -0.61 0.00 0.00 39.78 33.94 2ckj n ASN 1290CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 2ckj n VAL 1291N 0.53 0.00 -3.87 2.41 0.24 -1.26 -3.70 118.33 112.68 2ckj n VAL 1291Ca 0.02 0.35 -0.31 0.00 -2.04 0.00 0.00 64.34 62.36 2ckj n VAL 1291Cb 0.11 -0.71 -0.12 0.00 -1.47 0.00 0.00 33.84 31.65 2ckj n VAL 1291CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 2ckj s LYS 1292N 0.00 2.33 0.14 7.34 1.02 -1.26 -5.12 119.74 124.19 2ckj s LYS 1292Ca 0.00 -2.87 -0.34 0.00 0.02 0.00 0.00 55.97 52.78 2ckj s LYS 1292Cb 0.00 -3.48 -0.16 0.00 -0.52 0.00 0.00 37.83 33.68 2ckj s LYS 1292CO 0.00 -1.18 1.26 0.39 -0.92 0.00 0.00 175.35 174.89 2ckj n GLU 1293N 2.78 1.24 -3.81 1.68 -0.58 -1.24 -4.93 120.64 115.77 2ckj n GLU 1293Ca 0.11 0.44 -0.32 0.00 -0.42 0.00 0.00 57.16 56.97 2ckj n GLU 1293Cb 0.34 -2.01 -0.11 0.00 -0.57 0.00 0.00 31.44 29.09 2ckj n GLU 1293CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2ckj s LEU 1294N 0.58 4.96 0.04 -4.62 1.43 -1.26 -5.01 118.68 114.80 2ckj s LEU 1294Ca 0.77 -3.44 0.01 0.00 -1.03 0.00 0.00 54.13 50.44 2ckj s LEU 1294Cb -0.87 -1.75 -0.04 0.00 0.03 0.00 0.00 46.19 43.56 2ckj s LEU 1294CO 0.49 -0.20 0.07 0.72 0.23 0.00 0.00 176.35 177.67 2ckj s PHE 1295N -0.90 3.22 -0.35 0.29 -0.12 -1.26 -5.06 117.98 113.79 2ckj s PHE 1295Ca 0.22 0.13 -0.29 0.00 -0.05 0.00 0.00 56.93 56.94 2ckj s PHE 1295Cb -0.13 -1.67 -0.00 0.00 -0.63 0.00 0.00 43.02 40.58 2ckj s PHE 1295CO -0.09 0.53 1.53 0.50 -0.05 0.00 0.00 175.22 177.64 2ckj s ARG 1296N -2.05 3.58 -0.14 1.99 6.06 -1.26 -5.05 118.95 122.08 2ckj s ARG 1296Ca 0.26 1.20 0.02 0.00 -2.50 0.00 0.00 55.73 54.71 2ckj s ARG 1296Cb -0.12 -4.06 0.01 0.00 0.06 0.00 0.00 34.95 30.85 2ckj s ARG 1296CO 0.18 -1.56 -0.20 -1.17 -2.50 0.00 0.00 175.30 170.05 2ckj s LEU 1297N 5.67 2.00 0.11 -0.88 2.96 -1.26 -5.09 118.68 122.19 2ckj s LEU 1297Ca 0.67 -0.57 0.02 0.00 -0.22 0.00 0.00 54.13 54.03 2ckj s LEU 1297Cb -0.18 -1.36 -0.04 0.00 0.50 0.00 0.00 46.19 45.11 2ckj s LEU 1297CO 0.31 0.05 0.22 -1.81 -1.32 0.00 0.00 176.35 173.80 2ckj s ASP 1298N 0.96 6.21 -0.44 3.68 1.01 -1.26 -4.89 116.67 121.94 2ckj s ASP 1298Ca -0.05 0.17 -0.22 0.00 0.71 0.00 0.00 52.55 53.17 2ckj s ASP 1298Cb -0.15 -1.86 0.02 0.00 1.01 0.00 0.00 42.92 41.95 2ckj s ASP 1298CO -0.04 0.11 0.69 -0.55 0.21 0.00 0.00 175.17 175.60 2ckj s SER 1299N -2.84 6.35 -0.05 0.27 0.15 -1.06 -3.72 113.70 112.81 2ckj s SER 1299Ca 0.34 -0.27 0.05 0.00 0.70 0.00 0.00 55.95 56.77 2ckj s SER 1299Cb -0.12 -2.34 -0.00 0.00 -1.71 0.00 0.00 66.02 61.85 2ckj s SER 1299CO 0.27 -0.83 -0.19 -2.16 1.20 0.00 0.00 173.24 171.53 2ckj s PRO 1300N 2.98 2.03 -1.46 5.44 0.05 -1.26 0.22 135.00 142.99 2ckj s PRO 1300Ca 0.25 -0.69 -0.10 0.00 0.05 0.00 0.00 61.00 60.51 2ckj s PRO 1300Cb -0.13 -1.73 -0.06 0.00 0.05 0.00 0.00 34.50 32.62 2ckj s PRO 1300CO 0.20 0.27 2.67 0.00 0.05 0.00 0.00 177.00 180.19 2ckj n ALA 1301N 3.13 6.65 -1.75 8.56 0.00 -0.26 -4.86 120.51 131.98 2ckj n ALA 1301Ca -0.18 -3.35 -0.36 0.00 0.00 0.00 0.00 53.44 49.55 2ckj n ALA 1301Cb 0.53 -3.36 0.04 0.00 0.00 0.00 0.00 19.45 16.66 2ckj n ALA 1301CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2ckj s THR 1302N 2.64 2.47 0.10 0.00 -4.23 -1.24 -4.71 115.64 110.67 2ckj s THR 1302Ca 0.61 0.30 0.05 0.00 -1.18 0.00 0.00 61.69 61.47 2ckj s THR 1302Cb 0.16 -3.12 0.10 0.00 1.34 0.00 0.00 72.50 70.97 2ckj s THR 1302CO -0.05 -0.06 0.42 -2.65 -0.54 0.00 0.00 174.62 171.74 2ckj n PRO 1303N -1.61 -0.02 0.27 3.99 -0.02 -1.24 -0.63 135.00 135.74 2ckj n PRO 1303Ca 0.14 0.38 -0.11 0.00 -2.02 0.00 0.00 63.50 61.88 2ckj n PRO 1303Cb 0.49 -0.66 -0.05 0.00 -0.02 0.00 0.00 33.50 33.26 2ckj n PRO 1303CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2ckj h GLU 1304N 0.00 -0.70 -0.08 -0.52 4.81 -1.91 -1.90 114.58 114.28 2ckj h GLU 1304Ca 0.22 0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.52 2ckj h GLU 1304Cb 0.56 0.16 -0.00 0.00 0.63 0.00 0.00 28.75 30.10 2ckj h GLU 1304CO -0.21 -0.47 0.09 0.87 -0.73 0.00 0.00 179.01 178.56 2ckj h LYS 1305N -1.02 0.00 0.27 1.92 1.57 -1.21 -1.98 116.57 116.12 2ckj h LYS 1305Ca -0.07 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 2ckj h LYS 1305Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.87 2ckj h LYS 1305CO 0.12 0.00 -0.13 0.82 -0.57 0.00 0.00 179.45 179.69 2ckj h ILE 1306N 0.00 0.46 -0.30 1.86 2.04 -1.28 -2.94 117.51 117.35 2ckj h ILE 1306Ca 0.04 -0.87 0.06 0.00 1.00 0.00 0.00 64.86 65.09 2ckj h ILE 1306Cb 0.22 0.77 -0.06 0.00 -0.74 0.00 0.00 36.82 37.01 2ckj h ILE 1306CO -0.00 0.12 -0.09 -0.09 0.00 0.00 0.00 178.15 178.09 2ckj h ARG 1307N -0.98 -0.02 -0.57 2.37 9.65 -1.00 -0.78 114.38 123.06 2ckj h ARG 1307Ca -0.04 0.00 0.12 0.00 -1.10 0.00 0.00 59.98 58.96 2ckj h ARG 1307Cb 0.47 0.00 -0.09 0.00 -1.39 0.00 0.00 29.97 28.96 2ckj h ARG 1307CO 0.06 -0.01 0.02 -0.91 2.80 0.00 0.00 179.97 181.93 2ckj h ASN 1308N -0.02 -0.21 0.09 -3.80 2.35 -1.51 -1.63 115.58 110.85 2ckj h ASN 1308Ca 0.15 0.13 0.00 0.00 -0.55 0.00 0.00 56.30 56.03 2ckj h ASN 1308Cb 0.24 0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.84 2ckj h ASN 1308CO -0.32 -0.08 -0.01 0.00 -1.65 0.00 0.00 177.43 175.37 2ckj n ALA 1309N -2.72 2.66 -2.18 -0.83 0.00 -0.35 -4.34 120.51 112.75 2ckj n ALA 1309Ca 0.08 -0.24 -0.42 0.00 0.00 0.00 0.00 53.44 52.85 2ckj n ALA 1309Cb 0.32 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.34 2ckj n ALA 1309CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ckj s VAL 1311N 1.30 2.83 0.08 0.00 1.01 -1.26 -4.93 120.40 119.43 2ckj s VAL 1311Ca 0.42 0.63 -0.00 0.00 0.00 0.00 0.00 61.98 63.03 2ckj s VAL 1311Cb 0.10 -3.40 0.00 0.00 0.00 0.00 0.00 36.38 33.08 2ckj s VAL 1311CO -0.02 0.07 0.11 -0.90 0.00 0.00 0.00 175.10 174.36 2ckj n ASP 1312N 3.33 -0.32 -0.52 3.32 5.68 -1.26 -4.63 116.55 122.15 2ckj n ASP 1312Ca 0.10 -1.45 0.42 0.00 -0.50 0.00 0.00 54.79 53.36 2ckj n ASP 1312Cb 0.40 0.59 0.71 0.00 -1.14 0.00 0.00 41.12 41.69 2ckj n ASP 1312CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 2ckj h LYS 1313N 0.00 0.05 0.00 0.11 1.57 -1.94 -2.83 116.57 113.53 2ckj h LYS 1313Ca -0.06 -0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.46 2ckj h LYS 1313Cb 0.28 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.53 2ckj h LYS 1313CO 0.09 0.03 -2.16 1.19 -0.57 0.00 0.00 179.45 178.03 2ckj n PHE 1314N -4.44 0.00 -0.19 -1.35 0.99 -1.26 -3.74 117.46 107.47 2ckj n PHE 1314Ca 0.39 0.00 -0.00 0.00 -0.00 0.00 0.00 57.45 57.84 2ckj n PHE 1314Cb 1.60 -0.79 0.24 0.00 -1.00 0.00 0.00 39.48 39.54 2ckj n PHE 1314CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2ckj h THR 1315N 0.00 1.20 -0.24 4.37 1.03 -1.86 -3.21 112.91 114.20 2ckj h THR 1315Ca -0.37 -0.45 -0.14 0.00 -0.01 0.00 0.00 66.41 65.43 2ckj h THR 1315Cb 1.82 0.24 -0.01 0.00 -1.07 0.00 0.00 68.15 69.13 2ckj h THR 1315CO 0.02 0.21 -0.44 0.74 -0.01 0.00 0.00 175.52 176.04 2ckj h THR 1316N 0.95 1.30 0.00 0.00 2.02 -1.69 0.13 112.91 115.61 2ckj h THR 1316Ca 0.25 -1.62 -0.01 0.00 0.77 0.00 0.00 66.41 65.79 2ckj h THR 1316Cb -0.02 1.59 -0.00 0.00 -1.74 0.00 0.00 68.15 67.98 2ckj h THR 1316CO -0.04 0.51 -0.07 -0.07 0.37 0.00 0.00 175.52 176.22 2ckj h LEU 1317N 0.49 0.00 -0.61 2.58 3.38 -1.65 -3.26 115.31 116.24 2ckj h LEU 1317Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2ckj h LEU 1317Cb 0.96 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.71 2ckj h LEU 1317CO 0.09 0.07 -0.33 0.00 0.09 0.00 0.00 178.44 178.35 2ckj n VAL 1319N -0.51 0.00 -3.15 0.00 0.24 -0.75 -4.95 118.33 109.21 2ckj n VAL 1319Ca 0.11 0.00 0.05 0.00 -2.04 0.00 0.00 64.34 62.46 2ckj n VAL 1319Cb 0.38 0.00 -0.00 0.00 -1.47 0.00 0.00 33.84 32.75 2ckj n VAL 1319CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2ckj n LYS 1327N 5.19 0.00 -0.46 0.00 0.00 -1.26 -4.96 118.16 116.68 2ckj n LYS 1327Ca 0.08 -0.23 -0.07 0.00 -0.00 0.00 0.00 58.31 58.09 2ckj n LYS 1327Cb 0.57 -0.16 0.05 0.00 -0.00 0.00 0.00 35.03 35.49 2ckj n LYS 1327CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 2ckj n PRO 1328N 0.00 -0.36 0.17 -1.58 -0.04 -1.26 -5.03 135.00 126.90 2ckj n PRO 1328Ca 0.00 -0.50 -0.12 0.00 -0.04 0.00 0.00 63.50 62.84 2ckj n PRO 1328Cb 0.53 -0.34 -0.07 0.00 -0.04 0.00 0.00 33.50 33.58 2ckj n PRO 1328CO 0.00 0.00 0.00 2.35 -0.04 0.00 0.00 175.50 177.81 2ckj h TRP 1329N -1.21 -0.46 0.00 0.54 7.01 -1.81 -3.45 115.95 116.58 2ckj h TRP 1329Ca -0.11 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 60.88 2ckj h TRP 1329Cb 0.29 0.15 0.00 0.00 -2.10 0.00 0.00 29.16 27.50 2ckj h TRP 1329CO 0.00 -0.13 0.00 -1.13 -2.79 0.00 0.00 178.44 174.39 2ckj n SER 1330N -5.13 0.00 0.00 2.65 3.41 -1.26 -3.90 113.62 109.39 2ckj n SER 1330Ca -0.09 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.52 2ckj n SER 1330Cb 0.27 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.22 2ckj n SER 1330CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 2ckj n VAL 1331N 0.00 0.00 -0.33 -3.33 3.14 -1.26 -4.28 118.33 112.27 2ckj n VAL 1331Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 2ckj n VAL 1331Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 2ckj n VAL 1331CO 0.00 0.00 0.00 -2.11 -6.46 0.00 0.00 176.83 168.26