#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3khj n GLY 2 N 0.00 0.60 0.06 3.17 0.00 -1.26 -4.78 105.19 102.99 3khj n GLY 2 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 3khj n GLY 2 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3khj n THR 3 N 0.00 0.67 1.47 2.61 5.66 -1.26 -4.42 114.28 119.01 3khj n THR 3 Ca 0.00 -0.64 0.14 0.00 -3.05 0.00 0.00 64.05 60.50 3khj n THR 3 Cb 0.00 -0.30 0.50 0.00 -1.55 0.00 0.00 70.33 68.98 3khj n THR 3 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 3khj n LYS 4 N -2.56 1.66 -2.32 1.09 5.02 -1.26 -4.83 118.16 114.97 3khj n LYS 4 Ca -0.13 -0.99 -0.42 0.00 -2.02 0.00 0.00 58.31 54.75 3khj n LYS 4 Cb 0.78 -1.48 -0.03 0.00 -0.02 0.00 0.00 35.03 34.29 3khj n LYS 4 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3khj s ASN 5 N -2.02 6.95 0.00 4.39 3.84 -1.26 -4.92 114.94 121.92 3khj s ASN 5 Ca 0.37 2.04 0.13 0.00 0.21 0.00 0.00 52.86 55.60 3khj s ASN 5 Cb 0.21 -2.57 0.04 0.00 -0.55 0.00 0.00 41.25 38.38 3khj s ASN 5 CO 0.34 -0.62 0.79 2.30 -2.79 0.00 0.00 177.10 177.12 3khj n ILE 6 N 4.41 0.00 0.00 -5.21 -5.35 -1.26 -4.80 119.36 107.15 3khj n ILE 6 Ca 0.11 -0.42 0.00 0.00 -0.27 0.00 0.00 62.75 62.17 3khj n ILE 6 Cb 0.45 1.19 0.00 0.00 -1.74 0.00 0.00 39.64 39.54 3khj n ILE 6 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3khj n GLY 7 N 0.89 1.07 3.70 3.28 0.00 -1.26 -5.08 105.19 107.79 3khj n GLY 7 Ca 0.06 -1.97 -0.39 0.00 0.00 0.00 0.00 46.02 43.73 3khj n GLY 7 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3khj s LYS 8 N -1.02 4.33 -0.08 1.61 2.20 -1.26 -5.06 119.74 120.45 3khj s LYS 8 Ca 0.00 0.59 -0.18 0.00 -0.36 0.00 0.00 55.97 56.02 3khj s LYS 8 Cb 0.00 -3.48 -0.05 0.00 -1.51 0.00 0.00 37.83 32.79 3khj s LYS 8 CO 0.00 0.03 0.47 0.20 -0.36 0.00 0.00 175.35 175.69 3khj s GLY 9 N 0.83 2.43 -0.12 5.54 0.00 -1.26 -5.03 107.32 109.71 3khj s GLY 9 Ca 0.29 -0.18 -0.02 0.00 0.00 0.00 0.00 44.72 44.81 3khj s GLY 9 CO 0.12 0.64 -0.04 1.08 0.00 0.00 0.00 173.10 174.91 3khj s LEU 10 N 0.21 3.30 0.00 0.66 1.43 -1.26 -4.89 118.68 118.13 3khj s LEU 10 Ca 0.26 -0.05 0.05 0.00 -1.03 0.00 0.00 54.13 53.36 3khj s LEU 10 Cb -0.16 -1.77 0.05 0.00 0.03 0.00 0.00 46.19 44.35 3khj s LEU 10 CO 0.11 0.25 0.45 1.07 0.23 0.00 0.00 176.35 178.46 3khj n THR 11 N 2.97 0.00 -0.30 5.49 5.66 -1.26 -2.21 114.28 124.63 3khj n THR 11 Ca -0.18 -1.79 0.03 0.00 -3.05 0.00 0.00 64.05 59.06 3khj n THR 11 Cb 0.53 -0.24 0.17 0.00 -1.55 0.00 0.00 70.33 69.24 3khj n THR 11 CO 0.00 0.00 0.00 -0.26 -3.05 0.00 0.00 175.07 171.76 3khj h PHE 12 N 0.48 0.92 0.00 1.09 0.05 -1.94 -1.49 116.94 116.05 3khj h PHE 12 Ca -0.28 0.03 0.00 0.00 3.82 0.00 0.00 57.97 61.54 3khj h PHE 12 Cb 1.07 -0.29 0.00 0.00 2.00 0.00 0.00 35.95 38.74 3khj h PHE 12 CO 0.00 0.40 0.00 -1.91 -0.18 0.00 0.00 178.31 176.62 3khj n GLU 13 N -4.70 0.03 0.12 1.51 4.07 -1.26 -3.23 120.64 117.18 3khj n GLU 13 Ca 0.14 0.18 0.12 0.00 -0.06 0.00 0.00 57.16 57.54 3khj n GLU 13 Cb 0.26 -1.55 0.18 0.00 -0.06 0.00 0.00 31.44 30.28 3khj n GLU 13 CO 0.00 0.00 0.00 -0.44 -0.06 0.00 0.00 177.13 176.63 3khj h ASP 14 N 0.00 0.00 -3.50 4.31 3.32 -1.58 -3.46 116.42 115.51 3khj h ASP 14 Ca 0.00 -0.07 -0.41 0.00 0.02 0.00 0.00 57.03 56.57 3khj h ASP 14 Cb 0.37 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 39.78 3khj h ASP 14 CO 0.00 0.03 -0.70 0.27 -1.72 0.00 0.00 179.24 177.12 3khj s ILE 15 N -3.21 1.41 -0.01 0.35 -4.36 -1.20 -0.17 121.20 114.02 3khj s ILE 15 Ca 0.06 -2.12 0.01 0.00 -0.26 0.00 0.00 60.65 58.34 3khj s ILE 15 Cb 0.10 -2.13 0.01 0.00 1.25 0.00 0.00 42.46 41.69 3khj s ILE 15 CO 0.70 -0.53 -0.03 -0.76 0.24 0.00 0.00 174.94 174.56 3khj s LEU 16 N -3.30 1.78 0.10 0.37 1.43 -0.31 -4.91 118.68 113.84 3khj s LEU 16 Ca 0.23 -0.07 -0.30 0.00 -1.03 0.00 0.00 54.13 52.96 3khj s LEU 16 Cb 0.02 -0.24 -0.06 0.00 0.03 0.00 0.00 46.19 45.94 3khj s LEU 16 CO 0.06 0.01 1.11 -0.76 0.23 0.00 0.00 176.35 177.01 3khj s LEU 17 N 0.22 4.42 -0.17 1.79 1.43 -1.26 -1.07 118.68 124.03 3khj s LEU 17 Ca -0.02 1.98 -0.23 0.00 -1.03 0.00 0.00 54.13 54.82 3khj s LEU 17 Cb -0.05 -3.59 -0.02 0.00 0.03 0.00 0.00 46.19 42.56 3khj s LEU 17 CO -0.00 -0.32 0.74 -0.69 0.23 0.00 0.00 176.35 176.30 3khj s VAL 18 N 0.50 4.95 0.53 -1.59 1.01 0.02 -4.94 120.40 120.88 3khj s VAL 18 Ca 0.53 1.44 -0.21 0.00 0.00 0.00 0.00 61.98 63.74 3khj s VAL 18 Cb -0.28 -4.05 -0.05 0.00 0.00 0.00 0.00 36.38 32.00 3khj s VAL 18 CO 0.31 0.07 1.27 -2.84 0.00 0.00 0.00 175.10 173.91 3khj s PRO 19 N 1.97 3.27 0.49 2.72 0.02 -1.26 -4.58 135.00 137.64 3khj s PRO 19 Ca 0.34 2.00 0.03 0.00 0.02 0.00 0.00 61.00 63.40 3khj s PRO 19 Cb -0.16 -2.22 -0.02 0.00 0.02 0.00 0.00 34.50 32.12 3khj s PRO 19 CO 0.12 -1.01 0.09 -0.80 -0.33 0.00 0.00 177.00 175.07 3khj s ASN 20 N -1.23 4.22 0.29 2.53 0.01 -0.56 -4.95 114.94 115.25 3khj s ASN 20 Ca 0.71 -1.49 -0.30 0.00 -0.71 0.00 0.00 52.86 51.06 3khj s ASN 20 Cb -0.35 0.29 -0.12 0.00 0.41 0.00 0.00 41.25 41.49 3khj s ASN 20 CO 0.40 -0.82 1.55 0.00 -1.51 0.00 0.00 177.10 176.72 3khj n TYR 21 N -1.31 2.74 -4.77 2.20 9.36 -1.26 -4.50 117.16 119.61 3khj n TYR 21 Ca -0.13 0.31 -0.25 0.00 3.32 0.00 0.00 57.90 61.15 3khj n TYR 21 Cb 0.66 -2.56 -0.16 0.00 -0.63 0.00 0.00 39.34 36.65 3khj n TYR 21 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 3khj s SER 22 N 0.39 2.01 0.00 2.98 0.15 -1.26 -4.17 113.70 113.80 3khj s SER 22 Ca 0.64 -0.33 0.01 0.00 0.70 0.00 0.00 55.95 56.97 3khj s SER 22 Cb -0.52 -0.52 0.02 0.00 -1.71 0.00 0.00 66.02 63.29 3khj s SER 22 CO 0.50 0.15 0.80 -0.62 1.20 0.00 0.00 173.24 175.27 3khj n GLU 23 N 3.11 1.26 -4.69 5.44 1.02 -1.26 -5.02 120.64 120.49 3khj n GLU 23 Ca -0.18 -1.11 -0.33 0.00 -0.02 0.00 0.00 57.16 55.52 3khj n GLU 23 Cb 0.53 -1.02 -0.14 0.00 -0.02 0.00 0.00 31.44 30.79 3khj n GLU 23 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3khj s VAL 24 N -0.59 3.24 0.30 2.62 1.01 -1.26 -5.11 120.40 120.61 3khj s VAL 24 Ca 0.02 -0.59 -0.18 0.00 0.00 0.00 0.00 61.98 61.23 3khj s VAL 24 Cb 0.01 -2.38 -0.09 0.00 0.00 0.00 0.00 36.38 33.92 3khj s VAL 24 CO 0.02 0.52 0.76 -0.76 0.00 0.00 0.00 175.10 175.63 3khj s LEU 25 N 0.34 4.15 0.38 3.92 1.02 -1.26 -4.70 118.68 122.52 3khj s LEU 25 Ca -0.09 1.39 0.18 0.00 0.02 0.00 0.00 54.13 55.62 3khj s LEU 25 Cb -0.15 -3.96 1.11 0.00 0.02 0.00 0.00 46.19 43.20 3khj s LEU 25 CO 0.05 -0.14 1.72 -0.65 0.02 0.00 0.00 176.35 177.35 3khj h PRO 26 N 2.64 0.36 0.00 1.29 0.11 -1.93 0.33 132.00 134.79 3khj h PRO 26 Ca -0.48 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.57 3khj h PRO 26 Cb 1.18 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 3khj h PRO 26 CO 0.65 0.24 -0.19 0.00 -0.21 0.00 0.00 178.00 178.49 3khj h ARG 27 N 0.37 0.00 -0.66 1.05 -0.00 -1.94 -3.06 114.38 110.15 3khj h ARG 27 Ca 0.67 0.00 -0.01 0.00 -0.50 0.00 0.00 59.98 60.14 3khj h ARG 27 Cb 1.66 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 31.62 3khj h ARG 27 CO -0.42 0.19 0.02 0.39 0.00 0.00 0.00 179.97 180.15 3khj n GLU 28 N -3.75 4.27 -3.51 0.04 1.02 0.10 -4.94 120.64 113.88 3khj n GLU 28 Ca -0.02 -2.68 -0.37 0.00 -0.02 0.00 0.00 57.16 54.07 3khj n GLU 28 Cb 0.30 -2.15 -0.07 0.00 -0.02 0.00 0.00 31.44 29.50 3khj n GLU 28 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3khj s VAL 29 N -2.51 5.25 -0.28 2.62 1.01 -1.16 -4.89 120.40 120.44 3khj s VAL 29 Ca 0.47 0.65 -0.22 0.00 0.00 0.00 0.00 61.98 62.87 3khj s VAL 29 Cb 0.36 -3.67 -0.01 0.00 0.00 0.00 0.00 36.38 33.06 3khj s VAL 29 CO 0.13 0.42 0.74 -0.55 0.00 0.00 0.00 175.10 175.84 3khj s SER 30 N 0.15 6.66 0.00 3.32 0.15 0.17 -4.94 113.70 119.21 3khj s SER 30 Ca 0.19 0.73 0.23 0.00 0.70 0.00 0.00 55.95 57.80 3khj s SER 30 Cb -0.14 -2.39 0.46 0.00 -1.71 0.00 0.00 66.02 62.24 3khj s SER 30 CO 0.07 -0.51 1.42 0.18 1.20 0.00 0.00 173.24 175.59 3khj n LEU 31 N 5.99 3.28 -4.71 3.45 4.77 -1.26 -4.01 117.00 124.51 3khj n LEU 31 Ca 0.02 -1.40 -0.43 0.00 -0.03 0.00 0.00 56.01 54.17 3khj n LEU 31 Cb 0.48 -0.23 -0.03 0.00 -2.33 0.00 0.00 43.42 41.31 3khj n LEU 31 CO 0.47 0.70 1.25 -0.62 -1.33 0.00 0.00 177.39 177.86 3khj n GLU 32 N 1.38 2.52 -4.03 3.23 -0.58 -1.17 -3.95 120.64 118.04 3khj n GLU 32 Ca 0.19 0.90 -0.10 0.00 -0.42 0.00 0.00 57.16 57.74 3khj n GLU 32 Cb 0.58 -2.69 -0.08 0.00 -0.57 0.00 0.00 31.44 28.68 3khj n GLU 32 CO 0.00 0.00 0.00 -0.08 -0.48 0.00 0.00 177.13 176.57 3khj s THR 33 N 0.61 0.07 -0.14 2.62 -1.32 0.15 -4.65 115.64 112.98 3khj s THR 33 Ca 0.72 -1.58 -0.18 0.00 -1.21 0.00 0.00 61.69 59.44 3khj s THR 33 Cb -0.56 -1.95 -0.04 0.00 -1.51 0.00 0.00 72.50 68.44 3khj s THR 33 CO 0.40 -0.32 0.47 -0.75 -2.21 0.00 0.00 174.62 172.21 3khj s LYS 34 N -4.00 4.29 -0.17 7.08 2.20 -1.26 -0.23 119.74 127.64 3khj s LYS 34 Ca 0.21 0.40 -0.16 0.00 -0.36 0.00 0.00 55.97 56.06 3khj s LYS 34 Cb 0.05 -3.47 -0.12 0.00 -1.51 0.00 0.00 37.83 32.78 3khj s LYS 34 CO 0.02 0.09 0.07 1.25 -0.36 0.00 0.00 175.35 176.42 3khj h LEU 35 N 7.03 0.00 0.00 5.43 5.85 -1.23 -3.42 115.31 128.96 3khj h LEU 35 Ca -0.39 -0.30 -0.22 0.00 0.84 0.00 0.00 57.88 57.81 3khj h LEU 35 Cb 1.17 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.16 3khj h LEU 35 CO 0.75 1.12 -0.17 0.35 -0.34 0.00 0.00 178.44 180.15 3khj n THR 36 N -4.53 0.00 -0.13 1.05 -2.24 -0.62 -4.68 114.28 103.13 3khj n THR 36 Ca -0.19 -0.87 0.16 0.00 -2.27 0.00 0.00 64.05 60.88 3khj n THR 36 Cb 0.47 0.26 0.53 0.00 -2.10 0.00 0.00 70.33 69.49 3khj n THR 36 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 3khj h LYS 37 N 0.00 0.34 0.00 -0.78 -0.00 -1.83 -3.26 116.57 111.04 3khj h LYS 37 Ca -0.13 -0.02 0.00 0.00 -0.00 0.00 0.00 60.65 60.50 3khj h LYS 37 Cb 0.45 -0.08 0.00 0.00 -0.00 0.00 0.00 32.23 32.60 3khj h LYS 37 CO 0.21 0.23 -1.08 0.09 -0.00 0.00 0.00 179.45 178.90 3khj n ASN 38 N -4.46 3.78 -4.71 7.07 3.02 -1.26 -5.02 115.26 113.68 3khj n ASN 38 Ca 0.13 -0.05 -0.35 0.00 -0.03 0.00 0.00 54.58 54.28 3khj n ASN 38 Cb 0.51 1.15 -0.09 0.00 -0.61 0.00 0.00 39.78 40.75 3khj n ASN 38 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3khj s VAL 39 N -2.17 4.44 0.09 2.41 1.01 -1.23 -5.06 120.40 119.88 3khj s VAL 39 Ca -0.01 -0.26 0.02 0.00 0.00 0.00 0.00 61.98 61.72 3khj s VAL 39 Cb 0.02 -2.90 -0.04 0.00 0.00 0.00 0.00 36.38 33.46 3khj s VAL 39 CO 0.15 0.56 -0.07 -0.94 0.00 0.00 0.00 175.10 174.80 3khj s SER 40 N -1.06 1.11 0.18 3.32 1.04 -1.26 -0.70 113.70 116.33 3khj s SER 40 Ca 0.15 -0.92 0.06 0.00 0.48 0.00 0.00 55.95 55.72 3khj s SER 40 Cb -0.11 0.08 -0.05 0.00 0.10 0.00 0.00 66.02 66.04 3khj s SER 40 CO 0.04 -0.41 -0.12 -0.76 0.98 0.00 0.00 173.24 172.97 3khj s LEU 41 N -2.78 2.54 0.01 2.42 1.43 0.68 -4.83 118.68 118.15 3khj s LEU 41 Ca 0.08 -1.02 0.14 0.00 -1.03 0.00 0.00 54.13 52.31 3khj s LEU 41 Cb 0.02 -0.52 -0.19 0.00 0.03 0.00 0.00 46.19 45.54 3khj s LEU 41 CO -0.04 -0.25 0.75 0.11 0.23 0.00 0.00 176.35 177.16 3khj h LYS 42 N 2.67 0.00 -5.66 1.70 1.79 -0.94 0.47 116.57 116.60 3khj h LYS 42 Ca -0.37 0.00 -0.52 0.00 -2.18 0.00 0.00 60.65 57.58 3khj h LYS 42 Cb 1.21 0.00 -0.27 0.00 -1.58 0.00 0.00 32.23 31.59 3khj h LYS 42 CO 0.63 0.41 -0.82 0.96 -1.08 0.00 0.00 179.45 179.54 3khj s ILE 43 N -2.75 1.36 -0.61 1.86 -4.36 -0.24 -3.03 121.20 113.44 3khj s ILE 43 Ca -0.04 -0.95 -0.06 0.00 -0.26 0.00 0.00 60.65 59.34 3khj s ILE 43 Cb 0.08 -1.18 -0.05 0.00 1.25 0.00 0.00 42.46 42.56 3khj s ILE 43 CO 0.82 0.21 3.01 -0.81 0.24 0.00 0.00 174.94 178.40 3khj n PRO 44 N 2.17 2.81 -4.81 0.37 -0.04 -1.25 -4.22 135.00 130.03 3khj n PRO 44 Ca -0.16 -2.08 -0.27 0.00 -0.04 0.00 0.00 63.50 60.95 3khj n PRO 44 Cb 0.54 -2.26 -0.16 0.00 -0.04 0.00 0.00 33.50 31.57 3khj n PRO 44 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3khj s LEU 45 N -1.17 1.84 -0.04 1.53 1.43 -1.26 -1.40 118.68 119.61 3khj s LEU 45 Ca 0.62 -0.37 0.05 0.00 -1.03 0.00 0.00 54.13 53.40 3khj s LEU 45 Cb 0.30 -1.00 -0.01 0.00 0.03 0.00 0.00 46.19 45.52 3khj s LEU 45 CO -0.11 0.11 -0.19 -0.63 0.23 0.00 0.00 176.35 175.75 3khj s ILE 46 N 0.36 1.59 -0.05 -0.59 1.01 -0.24 -2.73 121.20 120.54 3khj s ILE 46 Ca -0.11 -0.82 -0.21 0.00 0.00 0.00 0.00 60.65 59.51 3khj s ILE 46 Cb -0.15 -1.36 -0.04 0.00 0.01 0.00 0.00 42.46 40.92 3khj s ILE 46 CO 0.04 0.45 0.61 -0.94 0.00 0.00 0.00 174.94 175.10 3khj s SER 47 N -0.10 6.92 0.62 3.58 1.04 -0.86 -0.43 113.70 124.47 3khj s SER 47 Ca -0.02 1.10 -0.18 0.00 0.48 0.00 0.00 55.95 57.33 3khj s SER 47 Cb -0.11 -2.37 -0.04 0.00 0.10 0.00 0.00 66.02 63.60 3khj s SER 47 CO 0.02 0.00 0.99 -1.20 0.98 0.00 0.00 173.24 174.03 3khj n SER 48 N 3.30 0.86 -3.63 7.02 7.64 0.44 -2.83 113.62 126.41 3khj n SER 48 Ca -0.05 0.79 -0.41 0.00 1.01 0.00 0.00 58.87 60.21 3khj n SER 48 Cb 0.51 -1.41 -0.01 0.00 -1.01 0.00 0.00 64.21 62.30 3khj n SER 48 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3khj n ALA 49 N -1.83 6.15 -2.54 -0.43 0.00 -1.25 -3.88 120.51 116.73 3khj n ALA 49 Ca 0.14 -3.96 -0.23 0.00 0.00 0.00 0.00 53.44 49.39 3khj n ALA 49 Cb 0.48 -3.22 -0.15 0.00 0.00 0.00 0.00 19.45 16.56 3khj n ALA 49 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3khj s MET 50 N 1.46 1.26 0.00 0.00 -1.94 -1.26 -4.60 119.30 114.22 3khj s MET 50 Ca 0.51 -0.71 0.06 0.00 -1.71 0.00 0.00 55.69 53.84 3khj s MET 50 Cb 0.14 -1.26 0.36 0.00 2.01 0.00 0.00 34.83 36.09 3khj s MET 50 CO -0.06 0.33 0.80 -0.40 -0.01 0.00 0.00 175.02 175.69 3khj n ASP 51 N 2.31 0.00 0.00 3.03 3.85 -1.26 -1.57 116.55 122.91 3khj n ASP 51 Ca -0.16 -0.71 0.00 0.00 -0.71 0.00 0.00 54.79 53.21 3khj n ASP 51 Cb 0.54 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.31 3khj n ASP 51 CO 0.00 0.00 0.00 1.07 -1.01 0.00 0.00 177.20 177.26 3khj n THR 52 N -0.71 0.10 0.00 2.12 5.66 -1.26 -4.79 114.28 115.40 3khj n THR 52 Ca 0.05 -0.31 0.00 0.00 -3.05 0.00 0.00 64.05 60.73 3khj n THR 52 Cb 0.02 1.34 0.00 0.00 -1.55 0.00 0.00 70.33 70.14 3khj n THR 52 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 175.07 173.35 3khj n VAL 53 N -0.05 0.00 -4.01 1.08 0.24 -0.61 -4.41 118.33 110.58 3khj n VAL 53 Ca 0.00 0.00 -0.31 0.00 -2.04 0.00 0.00 64.34 61.99 3khj n VAL 53 Cb 0.16 -1.11 -0.15 0.00 -1.47 0.00 0.00 33.84 31.27 3khj n VAL 53 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3khj s THR 54 N -1.96 1.92 0.00 3.34 2.01 -0.83 -4.29 115.64 115.83 3khj s THR 54 Ca 0.00 -1.58 0.00 0.00 0.31 0.00 0.00 61.69 60.42 3khj s THR 54 Cb 0.00 -2.15 0.00 0.00 0.01 0.00 0.00 72.50 70.36 3khj s THR 54 CO 0.00 -0.15 0.00 -0.62 -0.69 0.00 0.00 174.62 173.16 3khj n GLU 55 N 4.50 2.96 -0.13 4.92 1.02 -1.26 -3.39 120.64 129.26 3khj n GLU 55 Ca -0.10 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 56.94 3khj n GLU 55 Cb 0.43 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.84 3khj n GLU 55 CO 0.00 0.00 0.00 1.12 1.18 0.00 0.00 177.13 179.43 3khj h HIS 56 N 0.00 0.59 -0.97 -0.32 2.07 -1.93 -1.55 115.15 113.04 3khj h HIS 56 Ca 0.00 -0.05 0.00 0.00 -2.85 0.00 0.00 60.37 57.48 3khj h HIS 56 Cb 0.00 -0.17 -0.05 0.00 2.57 0.00 0.00 27.41 29.76 3khj h HIS 56 CO 0.00 0.53 0.62 -0.07 -3.07 0.00 0.00 177.93 175.94 3khj h LEU 57 N 0.47 1.13 -0.23 6.12 3.38 -1.95 0.29 115.31 124.52 3khj h LEU 57 Ca 0.13 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 3khj h LEU 57 Cb 0.20 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 3khj h LEU 57 CO -0.01 0.84 -0.06 -0.03 0.09 0.00 0.00 178.44 179.27 3khj h MET 58 N 1.32 0.44 -0.81 1.13 4.05 -1.48 -2.42 114.93 117.16 3khj h MET 58 Ca 0.35 -0.17 -0.01 0.00 -0.28 0.00 0.00 59.70 59.59 3khj h MET 58 Cb -0.11 -0.02 -0.04 0.00 -0.80 0.00 0.00 31.60 30.62 3khj h MET 58 CO -0.07 0.68 0.46 0.00 0.23 0.00 0.00 176.91 178.21 3khj h ALA 59 N 0.75 1.28 0.00 0.39 0.00 -0.97 -0.48 119.26 120.23 3khj h ALA 59 Ca 0.06 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3khj h ALA 59 Cb 0.52 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3khj h ALA 59 CO 0.02 0.60 -0.00 0.28 0.00 0.00 0.00 179.25 180.15 3khj h VAL 60 N 1.13 1.15 -0.74 0.00 2.07 -0.92 -1.91 116.25 117.03 3khj h VAL 60 Ca 0.29 -0.43 0.01 0.00 0.82 0.00 0.00 66.70 67.38 3khj h VAL 60 Cb 0.00 1.44 -0.04 0.00 -1.52 0.00 0.00 31.29 31.17 3khj h VAL 60 CO -0.05 0.11 0.49 1.23 0.02 0.00 0.00 177.57 179.37 3khj h GLY 61 N -0.19 1.04 0.99 2.17 0.00 -1.23 0.03 103.07 105.88 3khj h GLY 61 Ca -0.00 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 46.94 3khj h GLY 61 CO 0.00 0.38 0.00 -0.33 0.00 0.00 0.00 176.54 176.59 3khj h MET 62 N 1.00 0.01 -0.44 4.80 2.86 -1.03 -2.24 114.93 119.88 3khj h MET 62 Ca 0.27 -0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.82 3khj h MET 62 Cb -0.12 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.52 3khj h MET 62 CO -0.06 0.00 -0.09 0.00 1.06 0.00 0.00 176.91 177.83 3khj h ALA 63 N 1.01 1.02 0.00 6.32 0.00 -1.24 0.16 119.26 126.52 3khj h ALA 63 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3khj h ALA 63 Cb 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.62 3khj h ALA 63 CO -0.00 0.59 0.00 -0.09 0.00 0.00 0.00 179.25 179.75 3khj h ARG 64 N 0.71 0.00 -0.25 0.00 2.43 -0.75 -2.22 114.38 114.31 3khj h ARG 64 Ca 0.12 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 3khj h ARG 64 Cb 0.56 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 3khj h ARG 64 CO 0.03 0.00 0.00 1.28 -1.51 0.00 0.00 179.97 179.77 3khj n LEU 65 N -2.66 2.69 0.00 3.80 4.77 -0.86 -4.97 117.00 119.76 3khj n LEU 65 Ca -0.00 -1.57 0.00 0.00 -0.03 0.00 0.00 56.01 54.41 3khj n LEU 65 Cb 0.17 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 3khj n LEU 65 CO 0.19 0.61 0.00 0.61 -1.33 0.00 0.00 177.39 177.48 3khj n GLY 66 N 0.74 0.58 0.00 -0.72 0.00 -0.83 -4.60 105.19 100.36 3khj n GLY 66 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 3khj n GLY 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3khj n GLY 67 N -1.86 2.71 3.38 -0.02 0.00 0.52 -0.30 105.19 109.61 3khj n GLY 67 Ca 0.00 -1.83 -0.15 0.00 0.00 0.00 0.00 46.02 44.04 3khj n GLY 67 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3khj s ILE 68 N 3.27 0.03 0.01 -0.61 2.07 -1.11 -3.74 121.20 121.13 3khj s ILE 68 Ca 0.00 -0.27 0.04 0.00 -1.41 0.00 0.00 60.65 59.01 3khj s ILE 68 Cb 0.00 -0.89 -0.03 0.00 0.13 0.00 0.00 42.46 41.67 3khj s ILE 68 CO 0.00 -0.15 -0.11 -0.83 -1.91 0.00 0.00 174.94 171.94 3khj s GLY 69 N -1.60 1.68 -0.31 1.50 0.00 -1.26 -2.02 107.32 105.31 3khj s GLY 69 Ca -0.09 -1.07 -0.05 0.00 0.00 0.00 0.00 44.72 43.52 3khj s GLY 69 CO 0.03 -0.93 0.05 -0.42 0.00 0.00 0.00 173.10 171.83 3khj s ILE 70 N -0.95 3.49 0.10 0.90 -1.09 -1.13 -0.70 121.20 121.83 3khj s ILE 70 Ca 0.16 -1.08 -0.31 0.00 -2.23 0.00 0.00 60.65 57.19 3khj s ILE 70 Cb -0.11 -2.91 -0.09 0.00 -1.58 0.00 0.00 42.46 37.77 3khj s ILE 70 CO 0.06 -0.05 1.57 -0.63 -1.23 0.00 0.00 174.94 174.66 3khj s ILE 71 N 1.38 2.98 0.69 2.92 -1.09 -0.61 -3.92 121.20 123.55 3khj s ILE 71 Ca -0.01 0.58 -0.14 0.00 -2.23 0.00 0.00 60.65 58.85 3khj s ILE 71 Cb -0.19 -3.37 0.02 0.00 -1.58 0.00 0.00 42.46 37.34 3khj s ILE 71 CO 0.01 0.02 1.11 -1.38 -1.23 0.00 0.00 174.94 173.47 3khj s HIS 72 N 1.89 2.59 -2.35 3.97 -3.43 -1.22 -0.62 115.29 116.12 3khj s HIS 72 Ca 0.70 1.55 0.22 0.00 -0.80 0.00 0.00 55.06 56.74 3khj s HIS 72 Cb -0.40 -3.14 0.51 0.00 -1.43 0.00 0.00 32.58 28.12 3khj s HIS 72 CO 0.31 -1.75 1.44 0.36 -2.00 0.00 0.00 174.74 173.11 3khj n LYS 73 N -2.73 2.33 -1.29 -0.38 2.85 -1.26 -4.61 118.16 113.07 3khj n LYS 73 Ca 0.10 -2.02 -0.31 0.00 -1.05 0.00 0.00 58.31 55.03 3khj n LYS 73 Cb 0.52 -1.48 -0.07 0.00 -0.65 0.00 0.00 35.03 33.35 3khj n LYS 73 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 3khj n ASN 74 N 1.21 7.63 -3.69 -5.58 5.15 -1.26 -4.75 115.26 113.97 3khj n ASN 74 Ca 0.19 -2.62 -0.06 0.00 -0.60 0.00 0.00 54.58 51.50 3khj n ASN 74 Cb 0.53 -1.49 -0.02 0.00 -0.53 0.00 0.00 39.78 38.28 3khj n ASN 74 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3khj s MET 75 N 1.40 1.20 0.86 1.20 0.23 -1.26 -5.01 119.30 117.92 3khj s MET 75 Ca 0.67 -0.61 -0.11 0.00 -1.03 0.00 0.00 55.69 54.61 3khj s MET 75 Cb 0.23 0.44 0.11 0.00 -1.53 0.00 0.00 34.83 34.08 3khj s MET 75 CO -0.05 -0.54 1.09 0.16 -2.03 0.00 0.00 175.02 173.65 3khj s ASP 76 N -2.83 3.83 0.18 -1.18 -4.77 -1.26 -4.86 116.67 105.78 3khj s ASP 76 Ca 0.10 1.48 -0.13 0.00 -3.30 0.00 0.00 52.55 50.70 3khj s ASP 76 Cb -0.02 -2.17 0.12 0.00 -1.09 0.00 0.00 42.92 39.76 3khj s ASP 76 CO -0.01 -2.41 1.82 0.24 0.70 0.00 0.00 175.17 175.51 3khj h MET 77 N -1.39 0.63 0.00 2.11 2.86 -1.99 -2.41 114.93 114.74 3khj h MET 77 Ca -0.48 -0.04 -0.07 0.00 -2.06 0.00 0.00 59.70 57.05 3khj h MET 77 Cb 1.27 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.78 3khj h MET 77 CO 0.55 0.42 -0.35 0.93 1.06 0.00 0.00 176.91 179.52 3khj h GLU 78 N 0.65 0.00 -0.37 1.72 5.08 -1.99 -1.84 114.58 117.83 3khj h GLU 78 Ca 0.22 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.47 3khj h GLU 78 Cb 0.03 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 3khj h GLU 78 CO -0.10 0.35 -0.21 0.77 -1.00 0.00 0.00 179.01 178.82 3khj h SER 79 N 0.00 0.83 -0.49 1.42 0.02 -1.84 -2.30 113.55 111.19 3khj h SER 79 Ca -0.00 -0.42 -0.08 0.00 -0.84 0.00 0.00 61.79 60.45 3khj h SER 79 Cb 0.64 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.94 3khj h SER 79 CO 0.04 1.06 -0.02 -0.61 -1.14 0.00 0.00 176.83 176.17 3khj h GLN 80 N 0.59 0.87 -0.47 3.45 4.15 -1.09 -2.21 115.11 120.41 3khj h GLN 80 Ca 0.08 -0.29 0.02 0.00 0.77 0.00 0.00 58.65 59.23 3khj h GLN 80 Cb 0.76 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 28.35 3khj h GLN 80 CO 0.06 0.92 0.28 0.28 -1.93 0.00 0.00 178.83 178.44 3khj h VAL 81 N 0.73 1.05 -0.70 2.39 2.07 -1.38 -1.73 116.25 118.69 3khj h VAL 81 Ca 0.14 -0.19 0.05 0.00 0.82 0.00 0.00 66.70 67.51 3khj h VAL 81 Cb 0.54 0.44 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 3khj h VAL 81 CO 0.03 0.10 0.46 0.78 0.02 0.00 0.00 177.57 178.96 3khj h ASN 82 N 0.56 0.69 -0.33 0.57 -0.26 -1.21 0.28 115.58 115.88 3khj h ASN 82 Ca 0.19 -0.00 -0.10 0.00 -0.56 0.00 0.00 56.30 55.83 3khj h ASN 82 Cb 0.01 -0.16 -0.01 0.00 -1.06 0.00 0.00 38.32 37.11 3khj h ASN 82 CO -0.08 0.47 -0.17 -0.33 -1.06 0.00 0.00 177.43 176.25 3khj h GLU 83 N 0.80 0.70 -0.75 0.81 4.39 -0.95 -0.47 114.58 119.12 3khj h GLU 83 Ca 0.29 -0.31 -0.03 0.00 0.34 0.00 0.00 59.36 59.65 3khj h GLU 83 Cb 0.14 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.74 3khj h GLU 83 CO -0.09 0.91 0.35 0.28 -1.16 0.00 0.00 179.01 179.31 3khj h VAL 84 N 0.47 1.24 -0.29 3.13 2.07 -0.79 -2.60 116.25 119.49 3khj h VAL 84 Ca 0.07 -0.69 -0.14 0.00 0.82 0.00 0.00 66.70 66.76 3khj h VAL 84 Cb 0.71 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 3khj h VAL 84 CO 0.05 0.29 -0.41 -0.07 0.02 0.00 0.00 177.57 177.45 3khj h LEU 85 N 1.05 0.73 -1.58 2.57 3.38 -0.88 -2.63 115.31 117.96 3khj h LEU 85 Ca 0.26 -0.33 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 3khj h LEU 85 Cb 0.13 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 3khj h LEU 85 CO -0.03 1.05 0.01 0.11 0.09 0.00 0.00 178.44 179.67 3khj h LYS 86 N 0.56 0.28 -0.34 1.13 1.57 -0.91 -1.03 116.57 117.83 3khj h LYS 86 Ca 0.05 -0.04 -0.16 0.00 -1.87 0.00 0.00 60.65 58.62 3khj h LYS 86 Cb 0.94 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 33.20 3khj h LYS 86 CO 0.09 0.29 -0.44 0.28 -0.57 0.00 0.00 179.45 179.10 3khj h VAL 87 N 0.28 1.28 0.00 0.50 2.07 -1.33 -3.20 116.25 115.84 3khj h VAL 87 Ca 0.07 -1.62 -0.08 0.00 0.82 0.00 0.00 66.70 65.89 3khj h VAL 87 Cb 0.17 1.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 3khj h VAL 87 CO 0.00 0.53 -0.39 0.11 0.02 0.00 0.00 177.57 177.84 3khj h LYS 88 N 0.70 0.00 0.00 1.57 1.79 -0.95 -3.03 116.57 116.65 3khj h LYS 88 Ca 0.05 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.43 3khj h LYS 88 Cb 1.02 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.66 3khj h LYS 88 CO 0.10 0.39 -0.38 -0.91 -1.08 0.00 0.00 179.45 177.57 3khj h ASN 89 N 0.00 0.00 -1.71 0.86 -0.26 -1.22 -3.27 115.58 109.98 3khj h ASN 89 Ca -0.00 0.00 -0.70 0.00 -0.56 0.00 0.00 56.30 55.03 3khj h ASN 89 Cb 0.70 0.00 -0.23 0.00 -1.06 0.00 0.00 38.32 37.73 3khj h ASN 89 CO 0.05 0.38 1.01 -1.54 -1.06 0.00 0.00 177.43 176.28 3khj n SER 90 N -3.88 7.27 0.00 5.81 3.41 -1.14 -4.97 113.62 120.13 3khj n SER 90 Ca -0.01 -3.58 0.00 0.00 -0.26 0.00 0.00 58.87 55.02 3khj n SER 90 Cb 0.44 -1.16 0.00 0.00 -0.26 0.00 0.00 64.21 63.23 3khj n SER 90 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3khj n GLY 91 N 0.14 1.34 3.33 5.00 0.00 -1.23 -4.73 105.19 109.04 3khj n GLY 91 Ca 0.52 -1.89 -0.37 0.00 0.00 0.00 0.00 46.02 44.29 3khj n GLY 91 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3khj n GLY 92 N 1.48 2.10 3.73 -0.02 0.00 -1.26 -4.52 105.19 106.71 3khj n GLY 92 Ca 0.00 -1.09 -0.35 0.00 0.00 0.00 0.00 46.02 44.59 3khj n GLY 92 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3khj s LEU 135 N 5.80 3.77 0.45 0.99 1.43 -1.26 -5.10 118.68 124.75 3khj s LEU 135 Ca 0.60 0.18 -0.23 0.00 -1.03 0.00 0.00 54.13 53.66 3khj s LEU 135 Cb 0.07 -1.96 -0.08 0.00 0.03 0.00 0.00 46.19 44.25 3khj s LEU 135 CO 0.10 0.36 1.10 -0.13 0.23 0.00 0.00 176.35 178.01 3khj s ARG 136 N -1.13 3.89 -0.12 1.70 1.81 -1.26 -4.74 118.95 119.11 3khj s ARG 136 Ca 0.16 1.61 -0.23 0.00 -1.72 0.00 0.00 55.73 55.55 3khj s ARG 136 Cb -0.12 -2.39 0.06 0.00 -0.45 0.00 0.00 34.95 32.05 3khj s ARG 136 CO 0.05 -0.40 0.57 0.54 -0.68 0.00 0.00 175.30 175.38 3khj s VAL 137 N -1.66 0.01 0.40 3.52 0.11 -1.26 -4.61 120.40 116.91 3khj s VAL 137 Ca 0.62 -0.09 0.08 0.00 -2.93 0.00 0.00 61.98 59.66 3khj s VAL 137 Cb -0.24 -0.84 -0.05 0.00 -1.53 0.00 0.00 36.38 33.71 3khj s VAL 137 CO 0.30 -0.05 0.14 -0.83 -3.33 0.00 0.00 175.10 171.33 3khj s GLY 138 N -0.54 2.28 -0.04 6.54 0.00 0.13 -0.96 107.32 114.72 3khj s GLY 138 Ca -0.07 -2.08 -0.04 0.00 0.00 0.00 0.00 44.72 42.54 3khj s GLY 138 CO 0.05 -1.91 0.11 0.00 0.00 0.00 0.00 173.10 171.35 3khj s ALA 139 N -2.58 -0.27 0.31 3.20 0.00 -0.84 -1.57 121.76 120.01 3khj s ALA 139 Ca 0.39 0.35 -0.20 0.00 0.00 0.00 0.00 51.96 52.50 3khj s ALA 139 Cb 0.03 -0.21 -0.09 0.00 0.00 0.00 0.00 23.12 22.85 3khj s ALA 139 CO 0.22 -0.06 0.82 0.00 0.00 0.00 0.00 175.76 176.73 3khj s ALA 140 N 0.19 3.28 -0.03 0.00 0.00 0.21 -0.65 121.76 124.76 3khj s ALA 140 Ca -0.01 0.26 -0.04 0.00 0.00 0.00 0.00 51.96 52.17 3khj s ALA 140 Cb -0.02 -2.95 0.01 0.00 0.00 0.00 0.00 23.12 20.16 3khj s ALA 140 CO -0.01 0.26 0.10 0.42 0.00 0.00 0.00 175.76 176.53 3khj s ILE 141 N -1.78 0.02 0.62 0.00 1.01 0.89 -4.42 121.20 117.53 3khj s ILE 141 Ca 0.51 -0.15 0.02 0.00 0.00 0.00 0.00 60.65 61.03 3khj s ILE 141 Cb -0.14 -0.19 0.08 0.00 0.01 0.00 0.00 42.46 42.22 3khj s ILE 141 CO 0.19 -0.08 0.86 -0.83 0.00 0.00 0.00 174.94 175.08 3khj s GLY 142 N -0.23 1.79 0.36 6.18 0.00 -1.26 -0.66 107.32 113.49 3khj s GLY 142 Ca -0.03 -1.69 -0.28 0.00 0.00 0.00 0.00 44.72 42.71 3khj s GLY 142 CO 0.00 -1.25 1.48 0.14 0.00 0.00 0.00 173.10 173.47 3khj s VAL 143 N -2.89 2.13 0.00 1.40 1.01 -1.26 -2.84 120.40 117.95 3khj s VAL 143 Ca 0.62 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.73 3khj s VAL 143 Cb -0.07 -3.08 0.00 0.00 0.00 0.00 0.00 36.38 33.23 3khj s VAL 143 CO 0.41 0.03 0.00 0.59 0.00 0.00 0.00 175.10 176.13 3khj n ASN 144 N 0.68 0.00 -3.94 3.32 5.03 -1.26 -4.90 115.26 114.19 3khj n ASN 144 Ca 0.02 0.00 -0.42 0.00 0.87 0.00 0.00 54.58 55.05 3khj n ASN 144 Cb 0.39 -1.91 -0.01 0.00 -1.02 0.00 0.00 39.78 37.23 3khj n ASN 144 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 3khj n GLU 145 N -2.00 2.58 0.02 3.52 1.02 -1.13 -4.68 120.64 119.97 3khj n GLU 145 Ca 0.00 -2.59 -0.19 0.00 -0.02 0.00 0.00 57.16 54.37 3khj n GLU 145 Cb 0.00 -3.29 -0.12 0.00 -0.02 0.00 0.00 31.44 28.01 3khj n GLU 145 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 3khj h ILE 146 N 4.56 1.43 -0.59 -3.67 1.08 -1.90 -2.92 117.51 115.50 3khj h ILE 146 Ca 0.49 -2.23 0.11 0.00 -0.39 0.00 0.00 64.86 62.84 3khj h ILE 146 Cb 0.71 2.75 -0.08 0.00 -3.07 0.00 0.00 36.82 37.13 3khj h ILE 146 CO 1.77 0.65 0.14 -0.08 -0.69 0.00 0.00 178.15 179.93 3khj h GLU 147 N -0.12 0.27 -0.82 2.37 4.57 -2.01 -1.27 114.58 117.56 3khj h GLU 147 Ca -0.10 -0.02 0.07 0.00 -1.18 0.00 0.00 59.36 58.13 3khj h GLU 147 Cb 1.46 -0.06 -0.06 0.00 -0.16 0.00 0.00 28.75 29.92 3khj h GLU 147 CO 0.14 0.18 0.50 -0.09 -1.18 0.00 0.00 179.01 178.56 3khj h ARG 148 N 0.27 0.88 -0.48 1.92 2.43 -1.94 -2.77 114.38 114.69 3khj h ARG 148 Ca 0.30 -0.05 -0.07 0.00 -0.81 0.00 0.00 59.98 59.35 3khj h ARG 148 Cb 0.44 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.77 3khj h ARG 148 CO -0.38 0.58 0.02 0.00 -1.51 0.00 0.00 179.97 178.68 3khj h ALA 149 N 1.40 0.64 -0.57 2.80 0.00 -1.06 -2.16 119.26 120.31 3khj h ALA 149 Ca 0.37 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 3khj h ALA 149 Cb 0.20 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3khj h ALA 149 CO -0.18 0.43 0.10 1.57 0.00 0.00 0.00 179.25 181.16 3khj h LYS 150 N 0.69 0.91 -0.18 0.00 -0.00 -1.21 -1.59 116.57 115.19 3khj h LYS 150 Ca 0.14 -0.22 -0.20 0.00 -0.00 0.00 0.00 60.65 60.37 3khj h LYS 150 Cb 0.48 -0.12 0.00 0.00 -0.00 0.00 0.00 32.23 32.59 3khj h LYS 150 CO 0.02 0.84 -0.67 -0.07 -0.00 0.00 0.00 179.45 179.58 3khj h LEU 151 N 0.86 0.82 -0.63 7.07 3.38 -1.43 -2.44 115.31 122.95 3khj h LEU 151 Ca 0.18 -0.50 -0.11 0.00 0.09 0.00 0.00 57.88 57.54 3khj h LEU 151 Cb 0.38 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 3khj h LEU 151 CO 0.01 1.27 -0.12 -0.07 0.09 0.00 0.00 178.44 179.62 3khj h LEU 152 N 0.52 0.95 -0.59 1.67 4.07 -1.26 -1.53 115.31 119.13 3khj h LEU 152 Ca -0.02 -0.31 -0.05 0.00 0.08 0.00 0.00 57.88 57.57 3khj h LEU 152 Cb 1.27 -0.26 -0.02 0.00 1.08 0.00 0.00 40.66 42.73 3khj h LEU 152 CO 0.13 1.08 0.17 0.58 -1.08 0.00 0.00 178.44 179.32 3khj h VAL 153 N 0.85 1.25 -0.30 1.22 2.07 -1.31 -2.53 116.25 117.49 3khj h VAL 153 Ca 0.13 -0.85 0.01 0.00 0.82 0.00 0.00 66.70 66.81 3khj h VAL 153 Cb 0.67 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 3khj h VAL 153 CO 0.05 0.32 0.20 -0.33 0.02 0.00 0.00 177.57 177.83 3khj h GLU 154 N 0.85 0.35 0.00 1.57 3.07 -1.22 -1.64 114.58 117.56 3khj h GLU 154 Ca 0.19 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.03 3khj h GLU 154 Cb 0.31 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.14 3khj h GLU 154 CO -0.00 0.23 0.00 0.00 -1.40 0.00 0.00 179.01 177.84 3khj n ALA 155 N -2.50 2.39 -1.15 3.43 0.00 -0.60 -4.89 120.51 117.19 3khj n ALA 155 Ca 0.02 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.32 3khj n ALA 155 Cb 0.10 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.12 3khj n ALA 155 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3khj n GLY 156 N 0.86 0.94 3.77 0.00 0.00 -0.62 -4.53 105.19 105.61 3khj n GLY 156 Ca 0.15 -0.57 -0.40 0.00 0.00 0.00 0.00 46.02 45.21 3khj n GLY 156 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3khj s VAL 157 N -2.00 2.55 -0.10 1.61 0.11 -0.99 -4.87 120.40 116.71 3khj s VAL 157 Ca 0.00 0.50 0.16 0.00 -2.93 0.00 0.00 61.98 59.71 3khj s VAL 157 Cb 0.00 -3.30 -0.19 0.00 -1.53 0.00 0.00 36.38 31.36 3khj s VAL 157 CO 0.00 0.08 0.65 0.47 -3.33 0.00 0.00 175.10 172.97 3khj n ASP 158 N 0.18 0.71 -3.78 3.54 9.92 -0.13 -4.86 116.55 122.12 3khj n ASP 158 Ca 0.03 0.32 -0.13 0.00 -0.53 0.00 0.00 54.79 54.49 3khj n ASP 158 Cb 0.43 0.28 -0.13 0.00 -0.64 0.00 0.00 41.12 41.06 3khj n ASP 158 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 3khj s VAL 159 N -2.77 -0.02 -0.19 2.53 -7.23 -1.23 -4.40 120.40 107.08 3khj s VAL 159 Ca -0.05 0.06 -0.15 0.00 -1.81 0.00 0.00 61.98 60.03 3khj s VAL 159 Cb 0.08 -0.28 -0.04 0.00 0.56 0.00 0.00 36.38 36.70 3khj s VAL 159 CO 0.82 0.03 0.37 -0.63 -0.31 0.00 0.00 175.10 175.38 3khj s ILE 160 N 0.54 5.22 -0.52 -0.62 -1.09 -0.52 -1.99 121.20 122.22 3khj s ILE 160 Ca -0.04 0.67 -0.15 0.00 -2.23 0.00 0.00 60.65 58.90 3khj s ILE 160 Cb -0.05 -3.71 0.12 0.00 -1.58 0.00 0.00 42.46 37.24 3khj s ILE 160 CO -0.03 0.28 0.46 -0.69 -1.23 0.00 0.00 174.94 173.73 3khj s VAL 161 N 1.16 5.04 -1.01 2.92 1.01 0.18 -0.77 120.40 128.92 3khj s VAL 161 Ca 0.18 -1.47 -0.23 0.00 0.00 0.00 0.00 61.98 60.46 3khj s VAL 161 Cb -0.14 -4.21 0.02 0.00 0.00 0.00 0.00 36.38 32.05 3khj s VAL 161 CO 0.07 -0.80 1.60 -0.22 0.00 0.00 0.00 175.10 175.75 3khj s LEU 162 N 1.57 3.43 -0.12 3.92 2.96 0.49 -0.08 118.68 130.85 3khj s LEU 162 Ca 0.04 -1.33 -0.14 0.00 -0.22 0.00 0.00 54.13 52.48 3khj s LEU 162 Cb -0.28 -2.57 -0.05 0.00 0.50 0.00 0.00 46.19 43.79 3khj s LEU 162 CO 0.03 -1.83 0.34 -0.62 -1.32 0.00 0.00 176.35 172.95 3khj s ASP 163 N 5.72 6.55 -0.05 3.68 2.15 0.17 -2.30 116.67 132.58 3khj s ASP 163 Ca 0.53 0.65 -0.21 0.00 0.43 0.00 0.00 52.55 53.95 3khj s ASP 163 Cb -0.01 -2.21 0.04 0.00 -0.30 0.00 0.00 42.92 40.44 3khj s ASP 163 CO -0.06 0.14 0.47 -0.55 -0.17 0.00 0.00 175.17 175.00 3khj s SER 164 N 0.12 -0.41 0.26 -0.34 0.15 -0.67 -4.45 113.70 108.36 3khj s SER 164 Ca 0.20 0.44 -0.05 0.00 0.70 0.00 0.00 55.95 57.24 3khj s SER 164 Cb -0.14 0.49 0.31 0.00 -1.71 0.00 0.00 66.02 64.98 3khj s SER 164 CO 0.07 -0.47 1.93 0.00 1.20 0.00 0.00 173.24 175.97 3khj h ALA 165 N 3.74 1.31 -3.24 5.45 0.00 -1.90 0.49 119.26 125.10 3khj h ALA 165 Ca -0.28 -0.08 -0.63 0.00 0.00 0.00 0.00 54.91 53.92 3khj h ALA 165 Cb 1.16 -0.38 -0.40 0.00 0.00 0.00 0.00 17.79 18.17 3khj h ALA 165 CO 0.37 0.63 -0.69 -1.58 0.00 0.00 0.00 179.25 177.98 3khj s HIS 166 N -6.01 2.69 0.26 0.00 5.65 -1.26 -4.55 115.29 112.06 3khj s HIS 166 Ca -0.12 -2.80 0.32 0.00 0.25 0.00 0.00 55.06 52.71 3khj s HIS 166 Cb 0.18 -2.41 1.47 0.00 -1.18 0.00 0.00 32.58 30.64 3khj s HIS 166 CO 0.81 -0.78 2.04 0.78 -0.65 0.00 0.00 174.74 176.94 3khj h GLY 167 N 6.77 0.00 -6.02 1.59 0.00 -0.99 -3.30 103.07 101.12 3khj h GLY 167 Ca -0.05 0.00 -0.76 0.00 0.00 0.00 0.00 47.33 46.52 3khj h GLY 167 CO 0.58 0.00 2.01 1.57 0.00 0.00 0.00 176.54 180.70 3khj n HIS 168 N -3.26 2.66 -4.37 5.60 -0.00 -1.26 -4.75 115.22 109.84 3khj n HIS 168 Ca -0.01 -2.76 -0.19 0.00 0.46 0.00 0.00 57.72 55.23 3khj n HIS 168 Cb 0.28 -1.73 -0.10 0.00 -0.12 0.00 0.00 29.99 28.32 3khj n HIS 168 CO 0.00 0.00 0.00 -1.54 0.46 0.00 0.00 176.34 175.26 3khj s SER 169 N 0.07 2.60 0.33 0.26 1.04 -1.25 -5.05 113.70 111.71 3khj s SER 169 Ca 0.47 -1.09 0.07 0.00 0.48 0.00 0.00 55.95 55.88 3khj s SER 169 Cb 0.15 -0.14 0.60 0.00 0.10 0.00 0.00 66.02 66.73 3khj s SER 169 CO -0.06 -0.25 1.81 0.25 0.98 0.00 0.00 173.24 175.97 3khj h LEU 170 N 2.46 0.29 -0.61 2.42 7.12 -1.94 -2.93 115.31 122.12 3khj h LEU 170 Ca -0.39 -0.09 -0.13 0.00 0.13 0.00 0.00 57.88 57.41 3khj h LEU 170 Cb 1.23 -0.08 -0.01 0.00 -0.53 0.00 0.00 40.66 41.27 3khj h LEU 170 CO 0.64 0.54 -0.31 0.78 -0.13 0.00 0.00 178.44 179.96 3khj h ASN 171 N 0.26 0.80 -0.27 1.25 4.21 -1.96 -2.80 115.58 117.07 3khj h ASN 171 Ca 0.04 -0.32 -0.08 0.00 1.21 0.00 0.00 56.30 57.15 3khj h ASN 171 Cb 0.58 -0.22 -0.01 0.00 -1.12 0.00 0.00 38.32 37.55 3khj h ASN 171 CO 0.04 1.05 -0.16 0.40 -1.29 0.00 0.00 177.43 177.47 3khj h ILE 172 N 0.65 1.30 -0.93 2.81 5.03 -1.83 -2.49 117.51 122.05 3khj h ILE 172 Ca 0.07 -1.26 -0.01 0.00 -0.12 0.00 0.00 64.86 63.54 3khj h ILE 172 Cb 0.84 1.55 -0.04 0.00 -3.03 0.00 0.00 36.82 36.13 3khj h ILE 172 CO 0.07 0.40 0.54 0.40 -0.68 0.00 0.00 178.15 178.88 3khj h ILE 173 N 0.31 1.26 -0.72 -0.67 2.04 -1.56 0.18 117.51 118.34 3khj h ILE 173 Ca 0.06 -0.58 -0.04 0.00 1.00 0.00 0.00 64.86 65.29 3khj h ILE 173 Cb 0.68 -0.03 -0.03 0.00 -0.74 0.00 0.00 36.82 36.69 3khj h ILE 173 CO 0.04 0.28 0.29 0.03 0.00 0.00 0.00 178.15 178.79 3khj h ARG 174 N 1.28 1.08 -0.60 2.37 3.08 -1.46 -1.06 114.38 119.07 3khj h ARG 174 Ca 0.33 -0.19 -0.10 0.00 0.07 0.00 0.00 59.98 60.09 3khj h ARG 174 Cb -0.03 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 29.82 3khj h ARG 174 CO -0.06 0.89 -0.02 1.15 -1.07 0.00 0.00 179.97 180.86 3khj h THR 175 N 1.04 1.27 -0.28 2.04 2.02 -0.99 -2.25 112.91 115.76 3khj h THR 175 Ca 0.24 -1.18 -0.00 0.00 0.77 0.00 0.00 66.41 66.24 3khj h THR 175 Cb 0.21 0.83 -0.01 0.00 -1.74 0.00 0.00 68.15 67.43 3khj h THR 175 CO -0.02 0.43 0.16 0.25 0.37 0.00 0.00 175.52 176.71 3khj h LEU 176 N 0.97 0.33 -1.07 2.58 6.46 -0.65 -1.96 115.31 121.98 3khj h LEU 176 Ca 0.17 -0.06 -0.07 0.00 -0.12 0.00 0.00 57.88 57.79 3khj h LEU 176 Cb 0.58 -0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 40.41 3khj h LEU 176 CO 0.03 0.29 -0.14 0.11 -0.62 0.00 0.00 178.44 178.12 3khj h LYS 177 N 0.35 0.50 -0.21 1.25 1.57 -1.14 -2.08 116.57 116.81 3khj h LYS 177 Ca 0.10 -0.15 -0.21 0.00 -1.87 0.00 0.00 60.65 58.52 3khj h LYS 177 Cb 0.02 -0.05 0.01 0.00 0.08 0.00 0.00 32.23 32.29 3khj h LYS 177 CO -0.02 0.63 -0.69 1.49 -0.57 0.00 0.00 179.45 180.29 3khj h GLU 178 N 0.46 0.83 0.23 3.15 4.81 -1.25 -3.01 114.58 119.80 3khj h GLU 178 Ca 0.08 -0.62 -0.01 0.00 -0.13 0.00 0.00 59.36 58.68 3khj h GLU 178 Cb 0.51 0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.01 3khj h GLU 178 CO 0.03 1.23 -0.11 0.82 -0.73 0.00 0.00 179.01 180.25 3khj h ILE 179 N 0.59 0.84 0.00 2.32 2.04 -1.26 -2.66 117.51 119.38 3khj h ILE 179 Ca -0.03 -0.57 0.00 0.00 1.00 0.00 0.00 64.86 65.26 3khj h ILE 179 Cb 1.32 1.16 0.00 0.00 -0.74 0.00 0.00 36.82 38.56 3khj h ILE 179 CO 0.15 0.12 0.00 0.29 0.00 0.00 0.00 178.15 178.71 3khj n LYS 180 N -5.10 0.10 -0.02 2.37 4.76 -0.79 -0.14 118.16 119.35 3khj n LYS 180 Ca -0.09 0.45 0.06 0.00 -2.87 0.00 0.00 58.31 55.86 3khj n LYS 180 Cb 0.23 -1.74 -0.15 0.00 -1.84 0.00 0.00 35.03 31.53 3khj n LYS 180 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 3khj n SER 181 N -1.95 0.12 -0.00 4.39 3.41 -1.14 -4.58 113.62 113.88 3khj n SER 181 Ca 0.01 0.05 0.04 0.00 -0.26 0.00 0.00 58.87 58.71 3khj n SER 181 Cb 0.12 1.53 -0.06 0.00 -0.26 0.00 0.00 64.21 65.55 3khj n SER 181 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 3khj n LYS 182 N -2.44 2.29 -3.96 4.33 4.81 -0.54 -5.04 118.16 117.61 3khj n LYS 182 Ca -0.11 -0.04 -0.10 0.00 -0.87 0.00 0.00 58.31 57.20 3khj n LYS 182 Cb 0.72 -1.05 -0.12 0.00 0.02 0.00 0.00 35.03 34.60 3khj n LYS 182 CO 0.00 0.00 0.00 -1.64 1.17 0.00 0.00 177.40 176.93 3khj s MET 183 N -2.20 0.26 -0.96 1.64 -1.94 0.80 -5.06 119.30 111.84 3khj s MET 183 Ca 0.00 -0.50 -0.14 0.00 -1.71 0.00 0.00 55.69 53.34 3khj s MET 183 Cb 0.06 0.07 0.20 0.00 2.01 0.00 0.00 34.83 37.17 3khj s MET 183 CO 0.36 -0.04 1.03 1.21 -0.01 0.00 0.00 175.02 177.57 3khj s ASN 184 N -1.19 6.88 -0.13 3.03 2.47 -1.26 -4.55 114.94 120.19 3khj s ASN 184 Ca -0.13 -2.73 -0.23 0.00 0.42 0.00 0.00 52.86 50.20 3khj s ASN 184 Cb -0.08 -2.29 0.06 0.00 -1.45 0.00 0.00 41.25 37.49 3khj s ASN 184 CO -0.01 -0.68 0.57 -0.51 -3.72 0.00 0.00 177.10 172.75 3khj s ILE 185 N 0.79 0.01 0.10 -5.21 1.10 -1.26 -5.12 121.20 111.61 3khj s ILE 185 Ca 0.28 -0.08 -0.30 0.00 -0.51 0.00 0.00 60.65 60.04 3khj s ILE 185 Cb -0.08 -0.84 -0.06 0.00 0.15 0.00 0.00 42.46 41.64 3khj s ILE 185 CO -0.08 -0.04 1.00 -1.81 -2.11 0.00 0.00 174.94 171.90 3khj s ASP 186 N -0.44 7.42 -0.21 4.50 -0.00 -1.26 -4.93 116.67 121.75 3khj s ASP 186 Ca -0.06 1.83 0.02 0.00 -0.00 0.00 0.00 52.55 54.34 3khj s ASP 186 Cb -0.03 -2.59 0.04 0.00 -0.00 0.00 0.00 42.92 40.34 3khj s ASP 186 CO 0.04 -0.14 -0.16 -0.69 -0.00 0.00 0.00 175.17 174.22 3khj s VAL 187 N 0.17 2.12 -0.16 -1.27 1.01 -1.26 -1.44 120.40 119.57 3khj s VAL 187 Ca 0.49 -1.21 -0.20 0.00 0.00 0.00 0.00 61.98 61.06 3khj s VAL 187 Cb -0.24 -2.03 -0.03 0.00 0.00 0.00 0.00 36.38 34.07 3khj s VAL 187 CO 0.30 0.31 0.59 -0.63 0.00 0.00 0.00 175.10 175.68 3khj s ILE 188 N 1.22 5.07 -0.12 2.22 1.01 0.05 -0.56 121.20 130.09 3khj s ILE 188 Ca -0.00 1.14 0.01 0.00 0.00 0.00 0.00 60.65 61.79 3khj s ILE 188 Cb -0.16 -3.92 -0.01 0.00 0.01 0.00 0.00 42.46 38.39 3khj s ILE 188 CO -0.10 0.18 -0.16 -0.69 0.00 0.00 0.00 174.94 174.17 3khj s VAL 189 N 1.47 2.74 0.36 2.92 1.01 0.02 -0.38 120.40 128.55 3khj s VAL 189 Ca 0.29 -0.77 -0.06 0.00 0.00 0.00 0.00 61.98 61.43 3khj s VAL 189 Cb -0.16 -2.12 0.02 0.00 0.00 0.00 0.00 36.38 34.12 3khj s VAL 189 CO 0.11 0.54 0.58 -0.83 0.00 0.00 0.00 175.10 175.50 3khj s GLY 190 N 0.34 1.18 -0.01 4.51 0.00 -0.97 -0.59 107.32 111.78 3khj s GLY 190 Ca -0.13 -1.31 0.00 0.00 0.00 0.00 0.00 44.72 43.28 3khj s GLY 190 CO 0.07 -0.80 0.05 -1.31 0.00 0.00 0.00 173.10 171.11 3khj s ASN 191 N -3.20 5.45 0.27 1.64 -0.87 0.16 -1.67 114.94 116.73 3khj s ASN 191 Ca 0.26 0.10 0.02 0.00 -1.57 0.00 0.00 52.86 51.67 3khj s ASN 191 Cb -0.02 -1.52 -0.05 0.00 -0.02 0.00 0.00 41.25 39.64 3khj s ASN 191 CO 0.18 0.29 0.08 0.68 -2.57 0.00 0.00 177.10 175.76 3khj s VAL 192 N -1.13 0.76 0.00 1.60 -7.23 -0.70 -0.60 120.40 113.10 3khj s VAL 192 Ca 0.21 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.38 3khj s VAL 192 Cb -0.12 -2.65 0.00 0.00 0.56 0.00 0.00 36.38 34.18 3khj s VAL 192 CO 0.11 -0.03 0.00 1.33 -0.31 0.00 0.00 175.10 176.20 3khj n VAL 193 N -0.51 0.00 -4.27 1.32 0.24 -1.26 -2.13 118.33 111.71 3khj n VAL 193 Ca -0.01 0.00 -0.23 0.00 -2.04 0.00 0.00 64.34 62.06 3khj n VAL 193 Cb 0.66 0.82 -0.07 0.00 -1.47 0.00 0.00 33.84 33.78 3khj n VAL 193 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3khj s THR 194 N 0.00 3.25 0.12 3.34 -4.23 -1.26 -4.57 115.64 112.29 3khj s THR 194 Ca 0.00 -1.90 -0.19 0.00 -1.18 0.00 0.00 61.69 58.42 3khj s THR 194 Cb 0.00 -2.84 -0.06 0.00 1.34 0.00 0.00 72.50 70.94 3khj s THR 194 CO 0.00 -0.32 1.74 -0.33 -0.54 0.00 0.00 174.62 175.17 3khj h GLU 195 N 1.84 0.32 -0.84 3.99 3.07 -1.95 -2.55 114.58 118.45 3khj h GLU 195 Ca -0.44 -0.03 -0.03 0.00 -0.50 0.00 0.00 59.36 58.36 3khj h GLU 195 Cb 1.25 -0.07 -0.04 0.00 -0.84 0.00 0.00 28.75 29.06 3khj h GLU 195 CO 0.62 0.25 0.40 0.93 -1.40 0.00 0.00 179.01 179.81 3khj h GLU 196 N 0.29 1.22 -0.20 2.33 3.07 -1.96 -1.09 114.58 118.23 3khj h GLU 196 Ca 0.08 -0.18 -0.01 0.00 -0.50 0.00 0.00 59.36 58.75 3khj h GLU 196 Cb 0.02 -0.22 -0.01 0.00 -0.84 0.00 0.00 28.75 27.70 3khj h GLU 196 CO -0.02 0.93 0.07 0.00 -1.40 0.00 0.00 179.01 178.60 3khj h ALA 197 N 1.24 0.26 -0.23 3.43 0.00 -1.95 -1.86 119.26 120.15 3khj h ALA 197 Ca 0.29 -0.12 -0.16 0.00 0.00 0.00 0.00 54.91 54.92 3khj h ALA 197 Cb 0.12 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 3khj h ALA 197 CO -0.04 -0.14 -0.53 0.00 0.00 0.00 0.00 179.25 178.55 3khj h THR 198 N 0.16 1.30 -0.64 0.00 1.03 -1.33 -2.81 112.91 110.62 3khj h THR 198 Ca 0.07 -1.75 -0.03 0.00 -0.01 0.00 0.00 66.41 64.69 3khj h THR 198 Cb 0.20 1.69 -0.03 0.00 -1.07 0.00 0.00 68.15 68.94 3khj h THR 198 CO -0.00 0.55 0.29 0.50 -0.01 0.00 0.00 175.52 176.85 3khj h LYS 199 N 0.51 0.94 -0.35 0.00 3.64 -1.14 -2.02 116.57 118.16 3khj h LYS 199 Ca 0.02 -0.15 -0.15 0.00 -1.27 0.00 0.00 60.65 59.09 3khj h LYS 199 Cb 1.09 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.74 3khj h LYS 199 CO 0.11 0.76 -0.39 1.49 -2.27 0.00 0.00 179.45 179.14 3khj h GLU 200 N 0.89 0.85 -0.40 1.90 4.81 -1.32 -2.49 114.58 118.81 3khj h GLU 200 Ca 0.22 -0.44 -0.14 0.00 -0.13 0.00 0.00 59.36 58.87 3khj h GLU 200 Cb 0.15 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 3khj h GLU 200 CO -0.02 1.08 -0.29 -0.07 -0.73 0.00 0.00 179.01 178.98 3khj h LEU 201 N 0.69 0.90 -0.36 1.64 3.38 -1.42 -2.49 115.31 117.65 3khj h LEU 201 Ca 0.06 -0.37 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 3khj h LEU 201 Cb 0.97 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.45 3khj h LEU 201 CO 0.09 1.13 0.20 0.40 0.09 0.00 0.00 178.44 180.35 3khj h ILE 202 N 0.73 1.14 -0.55 1.22 2.04 -1.34 -1.58 117.51 119.17 3khj h ILE 202 Ca 0.08 -0.35 0.05 0.00 1.00 0.00 0.00 64.86 65.64 3khj h ILE 202 Cb 0.85 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 37.61 3khj h ILE 202 CO 0.07 0.14 0.37 -0.33 0.00 0.00 0.00 178.15 178.40 3khj h GLU 203 N 0.46 0.53 -0.59 2.37 5.08 -1.39 -1.75 114.58 119.30 3khj h GLU 203 Ca 0.13 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3khj h GLU 203 Cb 0.05 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.18 3khj h GLU 203 CO -0.02 0.35 0.00 0.09 -1.00 0.00 0.00 179.01 178.43 3khj n ASN 204 N -4.47 2.65 -0.09 1.42 4.13 -0.95 -4.90 115.26 113.05 3khj n ASN 204 Ca 0.07 -2.23 0.00 0.00 1.68 0.00 0.00 54.58 54.10 3khj n ASN 204 Cb 0.21 -0.42 0.00 0.00 -1.54 0.00 0.00 39.78 38.03 3khj n ASN 204 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3khj n GLY 205 N 0.68 1.15 3.71 7.41 0.00 -0.66 -4.41 105.19 113.07 3khj n GLY 205 Ca 0.13 -0.37 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 3khj n GLY 205 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3khj s ALA 206 N -2.17 3.20 -0.67 4.61 0.00 -0.63 -4.76 121.76 121.34 3khj s ALA 206 Ca 0.00 0.48 0.24 0.00 0.00 0.00 0.00 51.96 52.68 3khj s ALA 206 Cb 0.00 -3.31 0.22 0.00 0.00 0.00 0.00 23.12 20.03 3khj s ALA 206 CO 0.00 -0.25 1.19 -0.25 0.00 0.00 0.00 175.76 176.46 3khj n ASP 207 N 3.97 0.64 -3.68 0.00 9.92 0.28 -4.69 116.55 122.99 3khj n ASP 207 Ca 0.05 -0.09 -0.15 0.00 -0.53 0.00 0.00 54.79 54.08 3khj n ASP 207 Cb 0.51 0.47 -0.08 0.00 -0.64 0.00 0.00 41.12 41.38 3khj n ASP 207 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 3khj s GLY 208 N -3.57 -0.34 -0.17 0.44 0.00 -1.03 -2.60 107.32 100.06 3khj s GLY 208 Ca 0.06 0.91 -0.00 0.00 0.00 0.00 0.00 44.72 45.68 3khj s GLY 208 CO 0.76 0.66 -0.15 -0.42 0.00 0.00 0.00 173.10 173.95 3khj s ILE 209 N -0.85 2.65 -0.24 0.90 -1.09 -0.69 -0.80 121.20 121.08 3khj s ILE 209 Ca -0.09 -0.76 -0.09 0.00 -2.23 0.00 0.00 60.65 57.48 3khj s ILE 209 Cb -0.03 -2.13 -0.04 0.00 -1.58 0.00 0.00 42.46 38.67 3khj s ILE 209 CO 0.05 0.51 0.11 -0.75 -1.23 0.00 0.00 174.94 173.63 3khj s LYS 210 N 0.99 3.88 -0.08 2.79 2.20 0.24 -0.00 119.74 129.76 3khj s LYS 210 Ca -0.02 -0.37 -0.01 0.00 -0.36 0.00 0.00 55.97 55.21 3khj s LYS 210 Cb -0.15 -3.42 -0.03 0.00 -1.51 0.00 0.00 37.83 32.72 3khj s LYS 210 CO -0.03 -0.03 -0.01 0.14 -0.36 0.00 0.00 175.35 175.06 3khj s VAL 211 N 1.25 4.19 0.00 4.02 -7.23 0.74 -1.72 120.40 121.64 3khj s VAL 211 Ca 0.06 -0.29 0.00 0.00 -1.81 0.00 0.00 61.98 59.93 3khj s VAL 211 Cb -0.14 -2.75 0.00 0.00 0.56 0.00 0.00 36.38 34.04 3khj s VAL 211 CO 0.05 0.60 0.00 0.61 -0.31 0.00 0.00 175.10 176.05 3khj n GLY 212 N 2.18 1.04 2.93 2.32 0.00 -0.91 -0.91 105.19 111.86 3khj n GLY 212 Ca -0.18 0.10 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 3khj n GLY 212 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3khj s ILE 213 N 0.00 1.43 0.00 -0.61 1.01 -1.26 -4.72 121.20 117.05 3khj s ILE 213 Ca 0.00 -1.05 0.00 0.00 0.00 0.00 0.00 60.65 59.60 3khj s ILE 213 Cb 0.00 -1.66 0.00 0.00 0.01 0.00 0.00 42.46 40.81 3khj s ILE 213 CO 0.00 -0.02 0.00 0.61 0.00 0.00 0.00 174.94 175.53 3khj n GLY 214 N 4.72 3.23 3.67 6.18 0.00 -1.26 -1.83 105.19 119.91 3khj n GLY 214 Ca -0.12 -0.81 -0.30 0.00 0.00 0.00 0.00 46.02 44.79 3khj n GLY 214 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3khj s PRO 215 N 0.00 -0.45 0.00 1.61 0.04 -1.26 -4.76 135.00 130.18 3khj s PRO 215 Ca 0.00 0.03 0.00 0.00 0.04 0.00 0.00 61.00 61.07 3khj s PRO 215 Cb 0.00 -1.68 0.00 0.00 0.04 0.00 0.00 34.50 32.86 3khj s PRO 215 CO 0.00 -3.22 0.00 0.41 0.04 0.00 0.00 177.00 174.23 3khj n GLY 216 N -1.47 2.30 0.35 0.56 0.00 -1.26 -4.69 105.19 100.98 3khj n GLY 216 Ca 0.11 -1.09 0.13 0.00 0.00 0.00 0.00 46.02 45.18 3khj n GLY 216 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3khj h SER 217 N 0.00 0.74 0.04 1.61 4.64 -1.95 -0.03 113.55 118.60 3khj h SER 217 Ca 0.00 0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 3khj h SER 217 Cb 0.00 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 3khj h SER 217 CO 0.00 0.23 -0.05 2.30 -0.87 0.00 0.00 176.83 178.44 3khj n ILE 218 N -4.80 0.00 -2.64 0.95 -6.64 -1.26 -4.94 119.36 100.03 3khj n ILE 218 Ca 0.24 -0.23 -0.41 0.00 -1.77 0.00 0.00 62.75 60.57 3khj n ILE 218 Cb 0.60 0.50 -0.04 0.00 -1.44 0.00 0.00 39.64 39.26 3khj n ILE 218 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 3khj n THR 220 N 2.97 1.20 -0.35 0.00 -2.24 -1.01 -4.79 114.28 110.06 3khj n THR 220 Ca 0.04 -1.42 0.09 0.00 -2.27 0.00 0.00 64.05 60.49 3khj n THR 220 Cb 0.48 0.10 0.27 0.00 -2.10 0.00 0.00 70.33 69.09 3khj n THR 220 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3khj h THR 221 N 1.98 0.87 -0.86 4.28 2.02 -1.89 0.21 112.91 119.52 3khj h THR 221 Ca 0.00 -0.32 0.04 0.00 0.77 0.00 0.00 66.41 66.90 3khj h THR 221 Cb 1.05 -0.13 -0.05 0.00 -1.74 0.00 0.00 68.15 67.28 3khj h THR 221 CO 0.00 0.17 0.56 0.03 0.37 0.00 0.00 175.52 176.65 3khj h ARG 222 N 0.92 1.04 0.01 6.66 3.08 -1.85 0.07 114.38 124.29 3khj h ARG 222 Ca 0.51 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 60.45 3khj h ARG 222 Cb 0.59 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 3khj h ARG 222 CO -0.28 0.69 -0.26 0.82 -1.07 0.00 0.00 179.97 179.87 3khj h ILE 223 N 1.07 1.63 -0.12 2.04 1.08 -1.37 -2.45 117.51 119.39 3khj h ILE 223 Ca 0.34 -2.33 -0.16 0.00 -0.39 0.00 0.00 64.86 62.33 3khj h ILE 223 Cb 0.03 3.18 0.01 0.00 -3.07 0.00 0.00 36.82 36.97 3khj h ILE 223 CO -0.10 0.56 -0.54 0.58 -0.69 0.00 0.00 178.15 177.96 3khj h VAL 224 N -0.97 1.35 0.00 1.67 2.07 -0.70 -3.38 116.25 116.28 3khj h VAL 224 Ca -0.07 -1.84 -0.06 0.00 0.82 0.00 0.00 66.70 65.55 3khj h VAL 224 Cb 1.08 2.14 -0.01 0.00 -1.52 0.00 0.00 31.29 32.98 3khj h VAL 224 CO -0.03 0.56 -1.68 0.00 0.02 0.00 0.00 177.57 176.43 3khj n ALA 225 N -2.56 2.27 -1.41 1.67 0.00 -0.05 -5.00 120.51 115.44 3khj n ALA 225 Ca -0.08 -0.46 -0.05 0.00 0.00 0.00 0.00 53.44 52.85 3khj n ALA 225 Cb 0.62 -0.34 -0.02 0.00 0.00 0.00 0.00 19.45 19.72 3khj n ALA 225 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3khj n GLY 226 N 1.87 0.59 3.48 0.00 0.00 -0.83 -5.01 105.19 105.30 3khj n GLY 226 Ca -0.07 -0.80 -0.32 0.00 0.00 0.00 0.00 46.02 44.82 3khj n GLY 226 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3khj s VAL 227 N -2.20 3.05 0.00 1.61 1.01 -1.21 -4.96 120.40 117.71 3khj s VAL 227 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.20 3khj s VAL 227 Cb 0.00 -2.21 0.00 0.00 0.00 0.00 0.00 36.38 34.17 3khj s VAL 227 CO 0.00 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.26 3khj n GLY 228 N 2.19 2.79 2.89 4.51 0.00 -1.26 -3.48 105.19 112.82 3khj n GLY 228 Ca -0.17 -1.03 -0.21 0.00 0.00 0.00 0.00 46.02 44.61 3khj n GLY 228 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3khj s VAL 229 N -2.00 0.57 0.37 1.61 1.01 -0.76 -4.99 120.40 116.20 3khj s VAL 229 Ca 0.00 -0.12 -0.26 0.00 0.00 0.00 0.00 61.98 61.60 3khj s VAL 229 Cb 0.00 -0.60 -0.12 0.00 0.00 0.00 0.00 36.38 35.66 3khj s VAL 229 CO 0.00 0.24 1.11 -2.65 0.00 0.00 0.00 175.10 173.80 3khj n PRO 230 N 4.20 1.62 -0.10 2.72 -0.02 -1.26 -4.67 135.00 137.49 3khj n PRO 230 Ca -0.22 0.57 -0.10 0.00 -2.02 0.00 0.00 63.50 61.74 3khj n PRO 230 Cb 0.51 -2.10 -0.02 0.00 -0.02 0.00 0.00 33.50 31.86 3khj n PRO 230 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 3khj h GLN 231 N 1.98 0.44 -0.12 -0.52 5.75 -1.92 -1.10 115.11 119.61 3khj h GLN 231 Ca -0.44 -0.07 0.04 0.00 -0.15 0.00 0.00 58.65 58.04 3khj h GLN 231 Cb 1.32 -0.08 -0.05 0.00 1.07 0.00 0.00 27.48 29.74 3khj h GLN 231 CO 0.60 0.42 -0.17 0.82 -2.65 0.00 0.00 178.83 177.84 3khj h ILE 232 N 0.36 0.55 -0.83 2.39 1.08 -1.72 0.20 117.51 119.54 3khj h ILE 232 Ca 0.11 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.64 3khj h ILE 232 Cb 0.12 0.55 -0.06 0.00 -3.07 0.00 0.00 36.82 34.36 3khj h ILE 232 CO -0.01 0.00 0.51 0.74 -0.69 0.00 0.00 178.15 178.69 3khj h THR 233 N -0.22 1.01 -0.48 -0.27 2.02 -1.20 -1.27 112.91 112.50 3khj h THR 233 Ca 0.09 -0.31 -0.02 0.00 0.77 0.00 0.00 66.41 66.95 3khj h THR 233 Cb 0.36 0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 66.76 3khj h THR 233 CO -0.25 0.17 0.23 0.00 0.37 0.00 0.00 175.52 176.04 3khj h ALA 234 N 1.41 0.62 -0.36 6.16 0.00 -0.36 -1.32 119.26 125.40 3khj h ALA 234 Ca 0.37 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 55.09 3khj h ALA 234 Cb 0.21 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3khj h ALA 234 CO -0.19 0.18 -0.06 0.82 0.00 0.00 0.00 179.25 180.00 3khj h ILE 235 N 0.63 1.27 -0.35 0.00 2.04 -0.69 -2.58 117.51 117.83 3khj h ILE 235 Ca 0.17 -1.10 0.05 0.00 1.00 0.00 0.00 64.86 64.97 3khj h ILE 235 Cb 0.11 1.25 -0.05 0.00 -0.74 0.00 0.00 36.82 37.39 3khj h ILE 235 CO -0.02 0.37 0.06 -0.33 0.00 0.00 0.00 178.15 178.23 3khj h GLU 236 N 0.49 0.18 -0.64 2.37 5.08 -1.08 0.14 114.58 121.12 3khj h GLU 236 Ca 0.10 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.38 3khj h GLU 236 Cb 0.55 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.74 3khj h GLU 236 CO 0.03 0.12 0.15 0.87 -1.00 0.00 0.00 179.01 179.18 3khj h LYS 237 N 0.18 1.02 0.07 2.33 1.57 -1.21 -2.42 116.57 118.12 3khj h LYS 237 Ca 0.17 -0.25 -0.26 0.00 -1.87 0.00 0.00 60.65 58.43 3khj h LYS 237 Cb 0.19 -0.13 0.01 0.00 0.08 0.00 0.00 32.23 32.38 3khj h LYS 237 CO -0.22 0.93 -1.12 0.00 -0.57 0.00 0.00 179.45 178.46 3khj h SER 239 N 0.21 1.01 -0.62 0.00 0.02 -0.70 -0.69 113.55 112.79 3khj h SER 239 Ca -0.13 -0.23 0.18 0.00 -0.84 0.00 0.00 61.79 60.77 3khj h SER 239 Cb 1.79 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 64.04 3khj h SER 239 CO 0.20 1.00 0.49 0.77 -1.14 0.00 0.00 176.83 178.14 3khj h SER 240 N 0.99 0.00 0.00 3.07 4.64 -1.51 0.13 113.55 120.87 3khj h SER 240 Ca 0.20 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.23 3khj h SER 240 Cb 0.41 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.46 3khj h SER 240 CO 0.01 0.00 -1.61 0.52 -0.87 0.00 0.00 176.83 174.88 3khj n VAL 241 N -4.15 1.53 0.23 0.95 0.31 -1.07 -4.48 118.33 111.65 3khj n VAL 241 Ca 0.12 -0.12 0.07 0.00 -0.01 0.00 0.00 64.34 64.39 3khj n VAL 241 Cb 0.73 -2.00 0.54 0.00 -0.91 0.00 0.00 33.84 32.20 3khj n VAL 241 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3khj h ALA 242 N -0.65 1.59 0.00 3.52 0.00 -0.42 -2.04 119.26 121.26 3khj h ALA 242 Ca -0.44 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.26 3khj h ALA 242 Cb 1.38 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 3khj h ALA 242 CO -0.27 0.23 -0.18 0.66 0.00 0.00 0.00 179.25 179.69 3khj h SER 243 N 0.00 0.00 0.60 0.00 4.64 -0.99 0.22 113.55 118.02 3khj h SER 243 Ca -0.00 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.20 3khj h SER 243 Cb 0.34 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.42 3khj h SER 243 CO 0.02 0.18 -0.56 0.11 -0.87 0.00 0.00 176.83 175.71 3khj h LYS 244 N 0.00 0.00 -0.02 4.77 1.57 -1.59 -3.19 116.57 118.11 3khj h LYS 244 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3khj h LYS 244 Cb 0.75 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.06 3khj h LYS 244 CO 0.02 0.56 -0.10 1.19 -0.57 0.00 0.00 179.45 180.56 3khj n PHE 245 N -3.82 0.00 -2.00 -1.35 3.01 -1.03 -4.98 117.46 107.30 3khj n PHE 245 Ca -0.01 0.00 -0.16 0.00 1.01 0.00 0.00 57.45 58.28 3khj n PHE 245 Cb 0.58 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.01 3khj n PHE 245 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3khj n GLY 246 N 1.15 0.43 3.64 1.37 0.00 -0.27 -4.99 105.19 106.51 3khj n GLY 246 Ca 0.11 -0.22 -0.40 0.00 0.00 0.00 0.00 46.02 45.51 3khj n GLY 246 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3khj s ILE 247 N -2.74 5.05 0.30 -0.61 -1.09 -0.09 -4.84 121.20 117.17 3khj s ILE 247 Ca 0.00 1.01 -0.29 0.00 -2.23 0.00 0.00 60.65 59.14 3khj s ILE 247 Cb 0.00 -3.88 -0.11 0.00 -1.58 0.00 0.00 42.46 36.89 3khj s ILE 247 CO 0.00 0.10 1.50 -2.84 -1.23 0.00 0.00 174.94 172.46 3khj s PRO 248 N 2.14 4.19 -0.13 2.79 0.02 -1.26 -4.49 135.00 138.26 3khj s PRO 248 Ca 0.24 2.46 -0.15 0.00 0.02 0.00 0.00 61.00 63.57 3khj s PRO 248 Cb -0.16 -3.04 -0.05 0.00 0.02 0.00 0.00 34.50 31.27 3khj s PRO 248 CO 0.09 -0.50 0.35 0.42 -0.33 0.00 0.00 177.00 177.03 3khj s ILE 249 N -0.33 5.26 -0.30 2.83 -1.09 -1.26 -1.71 121.20 124.60 3khj s ILE 249 Ca 0.59 0.67 -0.10 0.00 -2.23 0.00 0.00 60.65 59.58 3khj s ILE 249 Cb -0.45 -3.68 -0.03 0.00 -1.58 0.00 0.00 42.46 36.72 3khj s ILE 249 CO 0.50 0.39 0.17 -0.63 -1.23 0.00 0.00 174.94 174.14 3khj s ILE 250 N 0.35 4.95 -0.48 2.92 1.09 0.99 -0.81 121.20 130.22 3khj s ILE 250 Ca 0.20 -0.13 -0.26 0.00 -1.10 0.00 0.00 60.65 59.35 3khj s ILE 250 Cb -0.14 -3.44 0.03 0.00 -1.06 0.00 0.00 42.46 37.85 3khj s ILE 250 CO 0.06 0.15 0.99 0.00 -0.10 0.00 0.00 174.94 176.05 3khj s ALA 251 N 1.69 3.20 -0.21 9.38 0.00 -0.63 -0.19 121.76 135.00 3khj s ALA 251 Ca 0.06 -0.74 -0.04 0.00 0.00 0.00 0.00 51.96 51.24 3khj s ALA 251 Cb -0.16 -3.73 -0.01 0.00 0.00 0.00 0.00 23.12 19.22 3khj s ALA 251 CO 0.08 -2.16 -0.05 0.34 0.00 0.00 0.00 175.76 173.97 3khj s ASP 252 N 2.39 4.27 0.00 0.00 2.15 -0.09 -0.80 116.67 124.59 3khj s ASP 252 Ca 0.40 -0.39 0.00 0.00 0.43 0.00 0.00 52.55 52.99 3khj s ASP 252 Cb -0.09 -1.73 0.00 0.00 -0.30 0.00 0.00 42.92 40.80 3khj s ASP 252 CO 0.27 -0.00 0.00 0.61 -0.17 0.00 0.00 175.17 175.88 3khj n GLY 253 N 4.68 -1.60 0.00 2.66 0.00 -1.16 -4.37 105.19 105.40 3khj n GLY 253 Ca -0.18 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.49 3khj n GLY 253 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3khj n GLY 254 N -0.43 0.62 3.56 -0.02 0.00 -1.26 -4.41 105.19 103.24 3khj n GLY 254 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 3khj n GLY 254 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3khj s ILE 255 N -2.00 4.56 -0.18 -0.61 -1.09 -1.26 -4.85 121.20 115.77 3khj s ILE 255 Ca 0.00 0.67 0.08 0.00 -2.23 0.00 0.00 60.65 59.17 3khj s ILE 255 Cb 0.00 -4.37 -0.16 0.00 -1.58 0.00 0.00 42.46 36.34 3khj s ILE 255 CO 0.00 -0.75 -0.06 0.54 -1.23 0.00 0.00 174.94 173.44 3khj n ARG 256 N 6.93 0.99 -4.23 2.79 1.74 -1.26 -4.64 116.66 118.99 3khj n ARG 256 Ca 0.05 0.05 -0.14 0.00 -0.77 0.00 0.00 57.85 57.03 3khj n ARG 256 Cb 0.48 -1.40 -0.10 0.00 -1.02 0.00 0.00 32.46 30.42 3khj n ARG 256 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3khj s TYR 257 N -2.39 1.21 0.54 -1.55 1.51 -1.26 -4.99 117.35 110.43 3khj s TYR 257 Ca -0.17 -0.72 0.25 0.00 -1.01 0.00 0.00 57.07 55.42 3khj s TYR 257 Cb 0.06 -0.63 1.43 0.00 -0.11 0.00 0.00 41.96 42.71 3khj s TYR 257 CO 0.55 0.06 2.03 0.66 -1.11 0.00 0.00 175.55 177.74 3khj h SER 258 N 3.06 0.00 -0.04 2.29 4.64 -1.91 -1.31 113.55 120.28 3khj h SER 258 Ca -0.37 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.91 3khj h SER 258 Cb 1.19 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.27 3khj h SER 258 CO 0.60 0.00 -0.06 1.23 -0.87 0.00 0.00 176.83 177.72 3khj h GLY 259 N 0.00 0.28 1.57 -0.77 0.00 -1.92 -2.77 103.07 99.46 3khj h GLY 259 Ca 0.19 -0.15 -0.08 0.00 0.00 0.00 0.00 47.33 47.28 3khj h GLY 259 CO -0.00 0.14 -0.18 -0.55 0.00 0.00 0.00 176.54 175.96 3khj h ASP 260 N 0.25 0.51 -0.28 0.19 3.32 -1.64 -2.54 116.42 116.22 3khj h ASP 260 Ca 0.06 -0.15 0.01 0.00 0.02 0.00 0.00 57.03 56.97 3khj h ASP 260 Cb 0.28 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 3khj h ASP 260 CO 0.01 0.70 0.16 0.40 -1.72 0.00 0.00 179.24 178.79 3khj h ILE 261 N 0.47 1.02 -0.97 0.35 2.04 -1.58 0.62 117.51 119.45 3khj h ILE 261 Ca 0.08 -0.11 0.02 0.00 1.00 0.00 0.00 64.86 65.85 3khj h ILE 261 Cb 0.57 0.66 -0.05 0.00 -0.74 0.00 0.00 36.82 37.27 3khj h ILE 261 CO 0.04 0.06 0.64 1.23 0.00 0.00 0.00 178.15 180.12 3khj h GLY 262 N 0.33 1.39 0.98 5.37 0.00 -1.54 -0.49 103.07 109.10 3khj h GLY 262 Ca 0.11 -0.50 -0.05 0.00 0.00 0.00 0.00 47.33 46.89 3khj h GLY 262 CO -0.06 0.46 0.11 0.50 0.00 0.00 0.00 176.54 177.56 3khj h LYS 263 N 1.28 0.80 -0.16 4.80 1.57 -0.99 0.92 116.57 124.81 3khj h LYS 263 Ca 0.37 -0.20 -0.02 0.00 -1.87 0.00 0.00 60.65 58.93 3khj h LYS 263 Cb -0.09 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.11 3khj h LYS 263 CO -0.10 0.78 0.01 0.00 -0.57 0.00 0.00 179.45 179.57 3khj h ALA 264 N 0.99 0.21 -0.16 3.86 0.00 -0.52 -2.65 119.26 120.98 3khj h ALA 264 Ca 0.16 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 3khj h ALA 264 Cb 0.35 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3khj h ALA 264 CO 0.00 -0.10 -0.00 -0.07 0.00 0.00 0.00 179.25 179.08 3khj h LEU 265 N 0.02 0.28 -1.81 0.00 3.38 -1.06 -2.30 115.31 113.81 3khj h LEU 265 Ca 0.04 -0.31 0.04 0.00 0.09 0.00 0.00 57.88 57.74 3khj h LEU 265 Cb 0.36 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 3khj h LEU 265 CO 0.01 0.52 0.21 0.00 0.09 0.00 0.00 178.44 179.27 3khj h ALA 266 N 0.76 1.99 0.00 1.53 0.00 -0.85 -1.92 119.26 120.77 3khj h ALA 266 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3khj h ALA 266 Cb 0.38 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3khj h ALA 266 CO 0.01 -0.04 -0.31 1.55 0.00 0.00 0.00 179.25 180.46 3khj n VAL 267 N -4.49 0.15 0.00 0.00 3.14 -1.00 -4.56 118.33 111.57 3khj n VAL 267 Ca 0.03 -0.09 0.00 0.00 -2.96 0.00 0.00 64.34 61.32 3khj n VAL 267 Cb 0.20 -0.17 0.00 0.00 -1.06 0.00 0.00 33.84 32.82 3khj n VAL 267 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3khj n GLY 268 N 1.44 -0.95 3.86 7.55 0.00 -0.73 -4.52 105.19 111.85 3khj n GLY 268 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 3khj n GLY 268 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3khj s ALA 269 N 0.00 3.44 -0.14 4.61 0.00 -0.87 -4.66 121.76 124.14 3khj s ALA 269 Ca 0.00 -0.13 -0.03 0.00 0.00 0.00 0.00 51.96 51.81 3khj s ALA 269 Cb 0.00 -2.60 -0.24 0.00 0.00 0.00 0.00 23.12 20.27 3khj s ALA 269 CO 0.00 0.39 0.29 0.43 0.00 0.00 0.00 175.76 176.88 3khj n SER 270 N -0.33 1.92 -4.18 0.00 7.64 0.01 -4.38 113.62 114.30 3khj n SER 270 Ca 0.02 0.17 -0.14 0.00 1.01 0.00 0.00 58.87 59.93 3khj n SER 270 Cb 0.53 -0.66 -0.10 0.00 -1.01 0.00 0.00 64.21 62.97 3khj n SER 270 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3khj s SER 271 N -6.82 0.51 -0.12 6.43 1.04 -1.10 -4.74 113.70 108.91 3khj s SER 271 Ca -0.22 -1.41 -0.01 0.00 0.48 0.00 0.00 55.95 54.78 3khj s SER 271 Cb 0.07 0.34 0.03 0.00 0.10 0.00 0.00 66.02 66.57 3khj s SER 271 CO 0.75 -0.83 -0.03 -0.69 0.98 0.00 0.00 173.24 173.42 3khj s VAL 272 N -4.01 0.74 -0.08 5.02 1.01 -0.49 -1.60 120.40 120.99 3khj s VAL 272 Ca 0.39 -0.24 -0.22 0.00 0.00 0.00 0.00 61.98 61.91 3khj s VAL 272 Cb 0.07 -0.90 -0.04 0.00 0.00 0.00 0.00 36.38 35.51 3khj s VAL 272 CO 0.13 0.21 0.64 -0.32 0.00 0.00 0.00 175.10 175.76 3khj s MET 273 N 1.81 4.41 0.02 2.72 1.75 0.02 -1.08 119.30 128.94 3khj s MET 273 Ca 0.03 0.76 0.05 0.00 -1.25 0.00 0.00 55.69 55.29 3khj s MET 273 Cb -0.13 -3.44 -0.02 0.00 2.84 0.00 0.00 34.83 34.08 3khj s MET 273 CO -0.07 0.10 -0.15 0.96 -0.65 0.00 0.00 175.02 175.21 3khj s ILE 274 N 0.73 1.20 0.14 10.11 -4.36 0.43 -2.99 121.20 126.45 3khj s ILE 274 Ca 0.34 -0.85 0.00 0.00 -0.26 0.00 0.00 60.65 59.89 3khj s ILE 274 Cb -0.17 -1.04 0.00 0.00 1.25 0.00 0.00 42.46 42.50 3khj s ILE 274 CO 0.16 0.18 0.00 0.61 0.24 0.00 0.00 174.94 176.13 3khj n GLY 275 N 2.28 -0.11 0.38 6.27 0.00 -1.26 -0.42 105.19 112.32 3khj n GLY 275 Ca -0.16 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.82 3khj n GLY 275 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3khj h SER 276 N 0.00 -1.42 0.60 1.61 0.87 -1.94 -0.09 113.55 113.18 3khj h SER 276 Ca 0.00 0.28 0.00 0.00 -1.23 0.00 0.00 61.79 60.84 3khj h SER 276 Cb 0.00 0.71 0.00 0.00 -0.44 0.00 0.00 62.40 62.67 3khj h SER 276 CO 0.00 -0.30 0.00 2.30 -0.53 0.00 0.00 176.83 178.30 3khj n ILE 277 N -5.44 0.48 0.07 2.23 -5.35 -1.26 -2.40 119.36 107.69 3khj n ILE 277 Ca 0.07 0.12 0.08 0.00 -0.27 0.00 0.00 62.75 62.75 3khj n ILE 277 Cb 0.37 -0.76 -0.13 0.00 -1.74 0.00 0.00 39.64 37.38 3khj n ILE 277 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 3khj n LEU 278 N -1.42 0.08 -4.71 7.28 4.77 -0.22 -4.90 117.00 117.88 3khj n LEU 278 Ca 0.07 -0.05 -0.42 0.00 -0.03 0.00 0.00 56.01 55.58 3khj n LEU 278 Cb 0.22 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.28 3khj n LEU 278 CO 0.18 0.02 1.16 0.00 -1.33 0.00 0.00 177.39 177.42 3khj s ALA 279 N -3.10 3.68 0.00 -1.18 0.00 -0.23 -2.52 121.76 118.41 3khj s ALA 279 Ca -0.05 1.22 0.00 0.00 0.00 0.00 0.00 51.96 53.13 3khj s ALA 279 Cb 0.11 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.64 3khj s ALA 279 CO 0.69 -0.75 0.00 0.41 0.00 0.00 0.00 175.76 176.11 3khj n GLY 280 N 3.66 0.69 3.88 0.00 0.00 -1.26 -4.77 105.19 107.38 3khj n GLY 280 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 3khj n GLY 280 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3khj s THR 281 N -2.44 4.30 0.54 2.61 -4.23 -1.05 -0.29 115.64 115.08 3khj s THR 281 Ca 0.00 0.71 0.25 0.00 -1.18 0.00 0.00 61.69 61.47 3khj s THR 281 Cb 0.00 -3.74 0.39 0.00 1.34 0.00 0.00 72.50 70.49 3khj s THR 281 CO 0.00 -0.96 2.01 -0.08 -0.54 0.00 0.00 174.62 175.05 3khj h GLU 282 N -0.40 0.00 -0.01 3.99 4.57 -0.90 -2.12 114.58 119.72 3khj h GLU 282 Ca -0.44 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.74 3khj h GLU 282 Cb 1.21 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.80 3khj h GLU 282 CO 0.63 0.00 -0.43 0.39 -1.18 0.00 0.00 179.01 178.41 3khj n GLU 283 N -4.32 0.54 -2.45 1.92 4.71 -1.26 -4.91 120.64 114.87 3khj n GLU 283 Ca 0.09 -0.35 -0.37 0.00 -0.01 0.00 0.00 57.16 56.51 3khj n GLU 283 Cb 0.57 -1.49 -0.03 0.00 -1.01 0.00 0.00 31.44 29.47 3khj n GLU 283 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 3khj s SER 284 N -2.70 6.71 0.00 1.62 1.04 -0.80 -3.16 113.70 116.41 3khj s SER 284 Ca 0.18 2.16 0.13 0.00 0.48 0.00 0.00 55.95 58.91 3khj s SER 284 Cb 0.18 -2.60 0.68 0.00 0.10 0.00 0.00 66.02 64.39 3khj s SER 284 CO 0.62 -0.53 1.33 -0.81 0.98 0.00 0.00 173.24 174.83 3khj n PRO 285 N 0.08 0.21 -1.13 4.02 -0.04 -1.26 -4.83 135.00 132.06 3khj n PRO 285 Ca 0.04 0.15 -0.29 0.00 -0.04 0.00 0.00 63.50 63.36 3khj n PRO 285 Cb 0.48 -1.50 0.19 0.00 -0.04 0.00 0.00 33.50 32.64 3khj n PRO 285 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3khj s GLY 286 N -2.52 1.56 0.19 0.55 0.00 -1.26 -5.05 107.32 100.79 3khj s GLY 286 Ca 0.13 -0.49 -0.11 0.00 0.00 0.00 0.00 44.72 44.26 3khj s GLY 286 CO 0.20 0.19 0.53 1.85 0.00 0.00 0.00 173.10 175.87 3khj s GLU 287 N -5.03 3.84 0.05 2.90 2.56 -1.26 -5.02 118.70 116.74 3khj s GLU 287 Ca 0.67 0.31 -0.19 0.00 0.00 0.00 0.00 54.97 55.75 3khj s GLU 287 Cb -0.17 -2.76 -0.06 0.00 2.00 0.00 0.00 34.13 33.13 3khj s GLU 287 CO 0.58 0.39 0.56 0.21 -0.56 0.00 0.00 175.26 176.44 3khj s LYS 288 N -2.50 4.21 -0.13 4.30 2.20 -1.26 -4.45 119.74 122.10 3khj s LYS 288 Ca 0.43 0.72 -0.08 0.00 -0.36 0.00 0.00 55.97 56.68 3khj s LYS 288 Cb -0.12 -3.26 0.05 0.00 -1.51 0.00 0.00 37.83 32.99 3khj s LYS 288 CO 0.20 0.59 0.32 -2.00 -0.36 0.00 0.00 175.35 174.11 3khj s GLU 289 N -0.93 0.31 -0.27 4.03 2.12 -0.52 -5.01 118.70 118.43 3khj s GLU 289 Ca 0.29 0.61 -0.13 0.00 0.36 0.00 0.00 54.97 56.10 3khj s GLU 289 Cb -0.19 -0.02 -0.04 0.00 0.26 0.00 0.00 34.13 34.13 3khj s GLU 289 CO 0.18 -0.14 0.29 -1.17 -0.54 0.00 0.00 175.26 173.89 3khj s LEU 290 N 1.09 4.04 -0.25 2.70 2.96 -1.26 0.12 118.68 128.07 3khj s LEU 290 Ca -0.07 0.16 0.01 0.00 -0.22 0.00 0.00 54.13 54.01 3khj s LEU 290 Cb -0.08 -2.29 0.07 0.00 0.50 0.00 0.00 46.19 44.39 3khj s LEU 290 CO -0.08 -0.12 -0.04 -0.63 -1.32 0.00 0.00 176.35 174.17 3khj s ILE 291 N 1.89 1.62 0.00 6.68 -1.09 -0.75 -4.98 121.20 124.57 3khj s ILE 291 Ca 0.11 -1.40 0.00 0.00 -2.23 0.00 0.00 60.65 57.14 3khj s ILE 291 Cb -0.16 -1.93 0.00 0.00 -1.58 0.00 0.00 42.46 38.79 3khj s ILE 291 CO 0.10 -0.19 0.00 0.61 -1.23 0.00 0.00 174.94 174.23 3khj n GLY 292 N 4.62 2.13 0.26 6.18 0.00 -1.26 -3.06 105.19 114.06 3khj n GLY 292 Ca -0.10 -0.41 0.10 0.00 0.00 0.00 0.00 46.02 45.61 3khj n GLY 292 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3khj n ASP 293 N 8.17 1.49 -4.51 1.61 5.75 -1.26 -4.97 116.55 122.84 3khj n ASP 293 Ca 0.00 -1.24 -0.32 0.00 -0.01 0.00 0.00 54.79 53.21 3khj n ASP 293 Cb 0.00 0.71 -0.12 0.00 -1.03 0.00 0.00 41.12 40.68 3khj n ASP 293 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 3khj s THR 294 N -2.56 3.20 -0.03 2.12 2.01 -1.17 -5.12 115.64 114.09 3khj s THR 294 Ca 0.13 -0.80 -0.18 0.00 0.31 0.00 0.00 61.69 61.15 3khj s THR 294 Cb 0.16 -2.31 -0.05 0.00 0.01 0.00 0.00 72.50 70.31 3khj s THR 294 CO 0.65 0.50 0.51 -0.69 -0.69 0.00 0.00 174.62 174.91 3khj s VAL 295 N -0.83 5.01 0.13 3.82 1.01 -1.26 -1.80 120.40 126.47 3khj s VAL 295 Ca 0.13 1.06 0.09 0.00 0.00 0.00 0.00 61.98 63.27 3khj s VAL 295 Cb -0.11 -3.84 -0.04 0.00 0.00 0.00 0.00 36.38 32.39 3khj s VAL 295 CO 0.03 0.44 -0.22 -0.31 0.00 0.00 0.00 175.10 175.04 3khj s TYR 296 N -0.20 1.95 0.11 5.22 1.51 0.33 -0.16 117.35 126.10 3khj s TYR 296 Ca 0.28 -0.42 0.04 0.00 -1.01 0.00 0.00 57.07 55.96 3khj s TYR 296 Cb -0.17 -1.03 -0.04 0.00 -0.11 0.00 0.00 41.96 40.61 3khj s TYR 296 CO 0.14 0.29 -0.10 0.15 -1.11 0.00 0.00 175.55 174.92 3khj s LYS 297 N -2.20 0.91 0.24 -0.62 1.02 0.97 -1.44 119.74 118.62 3khj s LYS 297 Ca 0.11 -1.24 -0.20 0.00 0.02 0.00 0.00 55.97 54.66 3khj s LYS 297 Cb -0.09 -0.55 -0.08 0.00 -0.52 0.00 0.00 37.83 36.58 3khj s LYS 297 CO 0.06 0.08 0.75 -0.47 -0.92 0.00 0.00 175.35 174.84 3khj s TYR 298 N -2.72 3.62 -0.04 3.18 5.04 -1.26 0.89 117.35 126.06 3khj s TYR 298 Ca 0.09 1.41 -0.02 0.00 -2.44 0.00 0.00 57.07 56.12 3khj s TYR 298 Cb -0.01 -2.64 0.03 0.00 0.35 0.00 0.00 41.96 39.68 3khj s TYR 298 CO -0.00 0.30 0.05 -0.47 -1.34 0.00 0.00 175.55 174.09 3khj s TYR 299 N -1.58 0.12 0.01 4.97 5.04 -0.17 -4.68 117.35 121.06 3khj s TYR 299 Ca 0.45 0.20 -0.00 0.00 -2.44 0.00 0.00 57.07 55.27 3khj s TYR 299 Cb -0.16 -0.47 -0.01 0.00 0.35 0.00 0.00 41.96 41.67 3khj s TYR 299 CO 0.21 -0.19 -0.00 -0.98 -1.34 0.00 0.00 175.55 173.25 3khj s ARG 300 N 1.98 0.15 0.67 4.97 1.70 -1.26 -1.69 118.95 125.45 3khj s ARG 300 Ca 0.03 -0.25 -0.14 0.00 -0.47 0.00 0.00 55.73 54.90 3khj s ARG 300 Cb -0.12 0.05 0.00 0.00 -0.57 0.00 0.00 34.95 34.31 3khj s ARG 300 CO -0.03 -0.02 1.08 0.20 -1.08 0.00 0.00 175.30 175.44 3khj s GLY 301 N -0.63 1.97 0.34 3.88 0.00 -1.15 -4.76 107.32 106.97 3khj s GLY 301 Ca -0.07 0.36 0.14 0.00 0.00 0.00 0.00 44.72 45.15 3khj s GLY 301 CO -0.00 0.69 1.72 -0.33 0.00 0.00 0.00 173.10 175.18 3khj h MET 302 N -0.20 0.00 -1.03 2.90 0.00 -1.95 -2.79 114.93 111.86 3khj h MET 302 Ca -0.46 0.00 -0.50 0.00 0.00 0.00 0.00 59.70 58.74 3khj h MET 302 Cb 1.23 0.00 -0.27 0.00 0.00 0.00 0.00 31.60 32.56 3khj h MET 302 CO 0.55 0.46 0.64 0.41 0.00 0.00 0.00 176.91 178.97 3khj n GLY 303 N 0.03 4.57 3.98 8.32 0.00 -1.26 -4.22 105.19 116.61 3khj n GLY 303 Ca -0.01 -1.26 -0.21 0.00 0.00 0.00 0.00 46.02 44.53 3khj n GLY 303 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3khj s SER 304 N -1.14 5.11 0.08 1.61 1.04 -1.05 -0.49 113.70 118.86 3khj s SER 304 Ca 0.53 -0.11 -0.21 0.00 0.48 0.00 0.00 55.95 56.64 3khj s SER 304 Cb 0.43 -0.68 -0.11 0.00 0.10 0.00 0.00 66.02 65.76 3khj s SER 304 CO 0.07 -1.27 1.64 0.58 0.98 0.00 0.00 173.24 175.24 3khj h VAL 305 N -0.02 1.14 -0.35 5.02 2.07 -1.89 -2.36 116.25 119.85 3khj h VAL 305 Ca -0.41 -0.40 -0.11 0.00 0.82 0.00 0.00 66.70 66.61 3khj h VAL 305 Cb 1.29 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 32.20 3khj h VAL 305 CO 0.50 0.12 -0.23 1.23 0.02 0.00 0.00 177.57 179.21 3khj h GLY 306 N 0.08 0.75 1.75 2.17 0.00 -1.95 -2.92 103.07 102.95 3khj h GLY 306 Ca 0.05 -0.64 -0.15 0.00 0.00 0.00 0.00 47.33 46.59 3khj h GLY 306 CO -0.00 0.58 -0.63 0.00 0.00 0.00 0.00 176.54 176.49 3khj h ALA 307 N 1.13 0.80 0.00 3.60 0.00 -1.80 -3.11 119.26 119.89 3khj h ALA 307 Ca 0.09 -0.56 -0.05 0.00 0.00 0.00 0.00 54.91 54.39 3khj h ALA 307 Cb 0.72 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 3khj h ALA 307 CO 0.06 0.74 -0.22 0.52 0.00 0.00 0.00 179.25 180.35 3khj h MET 308 N 0.18 0.00 0.76 0.00 2.86 -1.39 -3.33 114.93 114.01 3khj h MET 308 Ca -0.01 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.59 3khj h MET 308 Cb 1.15 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.82 3khj h MET 308 CO 0.10 0.22 -0.37 0.87 1.06 0.00 0.00 176.91 178.79 3khj h LYS 309 N 0.00 -0.98 -0.93 1.72 1.57 -1.44 -3.52 116.57 112.99 3khj h LYS 309 Ca -0.00 0.07 -0.44 0.00 -1.87 0.00 0.00 60.65 58.40 3khj h LYS 309 Cb 0.99 0.22 -0.26 0.00 0.08 0.00 0.00 32.23 33.26 3khj h LYS 309 CO 0.03 -0.64 0.55 -1.13 -0.57 0.00 0.00 179.45 177.69 3khj n SER 310 N -5.47 3.97 -1.55 0.86 3.41 -1.24 -5.15 113.62 108.45 3khj n SER 310 Ca -0.13 -3.53 0.08 0.00 -0.26 0.00 0.00 58.87 55.03 3khj n SER 310 Cb 0.41 -0.81 -0.04 0.00 -0.26 0.00 0.00 64.21 63.50 3khj n SER 310 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3khj n MET 326 N -0.92 -3.84 -2.46 4.33 2.81 -1.26 -5.00 117.12 110.78 3khj n MET 326 Ca 0.55 3.05 -0.37 0.00 -1.81 0.00 0.00 57.70 59.12 3khj n MET 326 Cb 1.60 -4.03 -0.03 0.00 -0.71 0.00 0.00 33.22 30.04 3khj n MET 326 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 3khj s VAL 327 N -4.97 3.54 0.21 2.03 -7.23 -1.26 -4.98 120.40 107.74 3khj s VAL 327 Ca 0.00 1.16 -0.32 0.00 -1.81 0.00 0.00 61.98 61.01 3khj s VAL 327 Cb 0.00 -3.59 -0.12 0.00 0.56 0.00 0.00 36.38 33.23 3khj s VAL 327 CO 0.00 -0.01 1.71 -2.84 -0.31 0.00 0.00 175.10 173.65 3khj s PRO 328 N -2.60 4.13 -0.22 4.82 0.02 -1.26 -4.91 135.00 134.97 3khj s PRO 328 Ca 0.60 2.60 0.12 0.00 0.02 0.00 0.00 61.00 64.34 3khj s PRO 328 Cb -0.24 -3.08 0.44 0.00 0.02 0.00 0.00 34.50 31.65 3khj s PRO 328 CO 0.29 -0.74 1.32 0.39 -0.33 0.00 0.00 177.00 177.93 3khj n GLU 329 N 3.92 1.79 -3.71 5.54 1.02 0.35 -4.94 120.64 124.61 3khj n GLU 329 Ca 0.16 -3.07 -0.14 0.00 -0.02 0.00 0.00 57.16 54.08 3khj n GLU 329 Cb 0.35 -1.70 -0.09 0.00 -0.02 0.00 0.00 31.44 29.99 3khj n GLU 329 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3khj s GLY 330 N -2.76 -0.26 0.23 0.62 0.00 -0.94 -2.40 107.32 101.81 3khj s GLY 330 Ca 0.40 0.69 0.06 0.00 0.00 0.00 0.00 44.72 45.87 3khj s GLY 330 CO -0.01 0.47 0.23 -0.26 0.00 0.00 0.00 173.10 173.54 3khj s ILE 331 N -0.93 4.70 0.08 0.90 -4.36 -0.57 -4.22 121.20 116.80 3khj s ILE 331 Ca -0.10 -1.23 0.07 0.00 -0.26 0.00 0.00 60.65 59.14 3khj s ILE 331 Cb -0.04 -3.52 -0.03 0.00 1.25 0.00 0.00 42.46 40.12 3khj s ILE 331 CO 0.04 -0.30 -0.19 -1.83 0.24 0.00 0.00 174.94 172.90 3khj s GLU 332 N -3.76 1.09 -0.09 0.37 -1.05 -1.26 -2.91 118.70 111.09 3khj s GLU 332 Ca 0.33 -1.07 -0.32 0.00 -0.15 0.00 0.00 54.97 53.76 3khj s GLU 332 Cb -0.09 -1.28 0.13 0.00 -0.44 0.00 0.00 34.13 32.45 3khj s GLU 332 CO 0.26 0.30 1.23 0.20 0.95 0.00 0.00 175.26 178.20 3khj s GLY 333 N -1.72 -0.35 0.43 -3.83 0.00 -0.68 -5.02 107.32 96.14 3khj s GLY 333 Ca 0.05 1.10 -0.21 0.00 0.00 0.00 0.00 44.72 45.65 3khj s GLY 333 CO 0.03 0.31 0.97 0.50 0.00 0.00 0.00 173.10 174.91 3khj s ARG 334 N -2.47 4.18 -0.00 2.90 0.52 -1.26 -1.00 118.95 121.82 3khj s ARG 334 Ca 0.12 1.19 0.04 0.00 -0.52 0.00 0.00 55.73 56.55 3khj s ARG 334 Cb 0.02 -2.22 -0.01 0.00 0.52 0.00 0.00 34.95 33.26 3khj s ARG 334 CO -0.04 -0.08 -0.12 0.54 0.02 0.00 0.00 175.30 175.62 3khj s VAL 335 N -2.09 0.94 0.35 3.52 0.11 0.26 -4.85 120.40 118.63 3khj s VAL 335 Ca 0.62 -0.56 -0.29 0.00 -2.93 0.00 0.00 61.98 58.83 3khj s VAL 335 Cb -0.11 -0.79 -0.12 0.00 -1.53 0.00 0.00 36.38 33.83 3khj s VAL 335 CO 0.15 0.23 1.47 2.29 -3.33 0.00 0.00 175.10 175.91 3khj n LYS 336 N 2.68 2.55 -1.63 1.54 0.00 -1.26 -0.02 118.16 122.02 3khj n LYS 336 Ca -0.14 0.90 -0.43 0.00 -0.00 0.00 0.00 58.31 58.63 3khj n LYS 336 Cb 0.56 -2.61 -0.03 0.00 -0.00 0.00 0.00 35.03 32.95 3khj n LYS 336 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.40 178.38 3khj n TYR 337 N 0.86 2.21 1.45 5.58 9.36 0.78 -4.73 117.16 132.66 3khj n TYR 337 Ca 0.04 -0.23 0.14 0.00 3.32 0.00 0.00 57.90 61.17 3khj n TYR 337 Cb 0.37 -2.76 0.60 0.00 -0.63 0.00 0.00 39.34 36.92 3khj n TYR 337 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 3khj n LYS 338 N 8.18 0.87 0.00 2.98 5.02 0.60 -4.97 118.16 130.83 3khj n LYS 338 Ca 0.26 -0.34 0.00 0.00 -2.02 0.00 0.00 58.31 56.20 3khj n LYS 338 Cb 0.42 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.94 3khj n LYS 338 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3khj n GLY 339 N 1.25 -0.51 3.74 0.72 0.00 -1.25 -4.86 105.19 104.27 3khj n GLY 339 Ca 0.16 -1.17 -0.42 0.00 0.00 0.00 0.00 46.02 44.59 3khj n GLY 339 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3khj s GLU 340 N 0.00 4.23 0.14 1.61 0.41 -1.26 -0.17 118.70 123.66 3khj s GLU 340 Ca 0.00 2.36 -0.14 0.00 -0.41 0.00 0.00 54.97 56.78 3khj s GLU 340 Cb 0.00 -3.11 0.01 0.00 -1.78 0.00 0.00 34.13 29.25 3khj s GLU 340 CO 0.00 -0.50 1.63 1.98 -0.49 0.00 0.00 175.26 177.89 3khj h MET 341 N 5.44 0.75 -1.00 1.61 1.85 -1.93 -3.04 114.93 118.61 3khj h MET 341 Ca -0.45 -0.19 0.20 0.00 -0.61 0.00 0.00 59.70 58.64 3khj h MET 341 Cb 1.21 -0.09 -0.11 0.00 0.43 0.00 0.00 31.60 33.05 3khj h MET 341 CO 0.81 0.76 0.61 0.93 -0.40 0.00 0.00 176.91 179.62 3khj h GLU 342 N 0.62 0.69 -0.55 0.39 3.07 -1.95 -1.04 114.58 115.81 3khj h GLU 342 Ca 0.14 -0.04 -0.10 0.00 -0.50 0.00 0.00 59.36 58.86 3khj h GLU 342 Cb 0.36 -0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 28.09 3khj h GLU 342 CO 0.01 0.45 -0.05 0.78 -1.40 0.00 0.00 179.01 178.80 3khj h GLY 343 N 0.71 1.08 1.11 -3.84 0.00 -1.93 -2.75 103.07 97.44 3khj h GLY 343 Ca 0.58 -0.83 -0.07 0.00 0.00 0.00 0.00 47.33 47.01 3khj h GLY 343 CO -0.38 0.76 0.17 -2.08 0.00 0.00 0.00 176.54 175.02 3khj h VAL 344 N 0.87 1.26 -0.28 4.60 2.07 -1.21 -3.08 116.25 120.48 3khj h VAL 344 Ca 0.15 -0.96 -0.15 0.00 0.82 0.00 0.00 66.70 66.56 3khj h VAL 344 Cb 0.60 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 3khj h VAL 344 CO 0.04 0.37 -0.44 0.58 0.02 0.00 0.00 177.57 178.14 3khj h VAL 345 N 1.05 1.29 -0.29 2.57 2.07 -1.35 -2.95 116.25 118.64 3khj h VAL 345 Ca 0.22 -1.63 -0.05 0.00 0.82 0.00 0.00 66.70 66.07 3khj h VAL 345 Cb 0.36 1.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.66 3khj h VAL 345 CO 0.00 0.52 -0.02 1.88 0.02 0.00 0.00 177.57 179.97 3khj h TYR 346 N 0.58 0.46 -0.48 1.57 -1.99 -1.43 0.96 116.97 116.63 3khj h TYR 346 Ca 0.04 -0.04 -0.07 0.00 2.00 0.00 0.00 58.73 60.66 3khj h TYR 346 Cb 0.99 -0.13 -0.02 0.00 2.00 0.00 0.00 36.73 39.57 3khj h TYR 346 CO 0.05 0.47 0.03 0.37 -0.00 0.00 0.00 178.16 179.08 3khj h GLN 347 N 0.43 0.83 -0.37 4.88 -0.00 -1.46 -0.76 115.11 118.66 3khj h GLN 347 Ca 0.09 -0.25 -0.04 0.00 -0.00 0.00 0.00 58.65 58.46 3khj h GLN 347 Cb 0.32 -0.08 -0.02 0.00 0.00 0.00 0.00 27.48 27.70 3khj h GLN 347 CO 0.01 0.86 0.08 -0.07 0.00 0.00 0.00 178.83 179.71 3khj h LEU 348 N 0.69 0.58 -0.59 -2.39 3.38 -1.22 -2.07 115.31 113.69 3khj h LEU 348 Ca 0.14 -0.24 -0.06 0.00 0.09 0.00 0.00 57.88 57.81 3khj h LEU 348 Cb 0.46 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 3khj h LEU 348 CO 0.02 0.67 0.14 0.58 0.09 0.00 0.00 178.44 179.94 3khj h VAL 349 N 0.46 1.25 -0.12 1.22 2.07 -0.79 -0.99 116.25 119.34 3khj h VAL 349 Ca 0.12 -0.90 -0.00 0.00 0.82 0.00 0.00 66.70 66.73 3khj h VAL 349 Cb 0.33 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 3khj h VAL 349 CO 0.00 0.34 0.07 1.23 0.02 0.00 0.00 177.57 179.23 3khj h GLY 350 N 0.86 0.18 1.17 2.17 0.00 -1.06 0.66 103.07 107.04 3khj h GLY 350 Ca 0.19 -0.07 -0.01 0.00 0.00 0.00 0.00 47.33 47.43 3khj h GLY 350 CO 0.00 0.07 0.44 -1.33 0.00 0.00 0.00 176.54 175.73 3khj h GLY 351 N 0.13 1.17 0.91 4.60 0.00 -1.30 0.15 103.07 108.73 3khj h GLY 351 Ca 0.04 -0.51 -0.01 0.00 0.00 0.00 0.00 47.33 46.85 3khj h GLY 351 CO -0.01 0.49 0.10 -2.00 0.00 0.00 0.00 176.54 175.12 3khj h LEU 352 N 1.10 0.30 -0.55 3.11 6.46 -0.90 -0.18 115.31 124.66 3khj h LEU 352 Ca 0.28 -0.15 0.00 0.00 -0.12 0.00 0.00 57.88 57.89 3khj h LEU 352 Cb 0.01 -0.08 -0.03 0.00 -0.73 0.00 0.00 40.66 39.84 3khj h LEU 352 CO -0.05 0.37 0.35 0.03 -0.62 0.00 0.00 178.44 178.52 3khj h ARG 353 N 0.21 0.73 -0.56 1.25 3.08 -0.50 -1.60 114.38 117.00 3khj h ARG 353 Ca 0.07 -0.05 0.05 0.00 0.07 0.00 0.00 59.98 60.12 3khj h ARG 353 Cb 0.16 -0.16 -0.05 0.00 0.08 0.00 0.00 29.97 30.00 3khj h ARG 353 CO -0.01 0.51 0.29 1.03 -1.07 0.00 0.00 179.97 180.71 3khj h SER 354 N 0.74 0.41 0.25 7.04 0.87 -0.56 0.99 113.55 123.29 3khj h SER 354 Ca 0.20 0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.79 3khj h SER 354 Cb -0.05 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 61.85 3khj h SER 354 CO -0.04 0.27 -0.21 0.00 -0.53 0.00 0.00 176.83 176.32 3khj h MET 356 N -0.48 0.00 -0.40 0.00 2.07 -1.14 -1.05 114.93 113.94 3khj h MET 356 Ca -0.01 0.00 -0.13 0.00 -2.07 0.00 0.00 59.70 57.49 3khj h MET 356 Cb 0.43 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 30.14 3khj h MET 356 CO -0.02 0.14 -0.26 0.78 1.07 0.00 0.00 176.91 178.62 3khj h GLY 357 N 0.99 0.90 1.53 8.32 0.00 -0.31 0.37 103.07 114.89 3khj h GLY 357 Ca -0.00 -0.81 -0.10 0.00 0.00 0.00 0.00 47.33 46.42 3khj h GLY 357 CO 0.02 0.74 -0.23 -0.97 0.00 0.00 0.00 176.54 176.09 3khj h TYR 358 N 0.71 0.61 -0.13 5.60 -1.99 0.17 -2.93 116.97 119.02 3khj h TYR 358 Ca 0.09 -0.13 0.00 0.00 2.00 0.00 0.00 58.73 60.69 3khj h TYR 358 Cb 0.80 -0.15 0.00 0.00 2.00 0.00 0.00 36.73 39.38 3khj h TYR 358 CO 0.04 0.74 0.00 1.28 -0.00 0.00 0.00 178.16 180.22 3khj n LEU 359 N -4.12 2.36 -3.65 3.88 4.32 -0.78 -1.49 117.00 117.51 3khj n LEU 359 Ca -0.00 -0.89 -0.23 0.00 -0.02 0.00 0.00 56.01 54.87 3khj n LEU 359 Cb 0.40 -0.08 0.06 0.00 -1.62 0.00 0.00 43.42 42.19 3khj n LEU 359 CO 0.42 0.44 0.14 0.61 -1.22 0.00 0.00 177.39 177.78 3khj n GLY 360 N 1.28 -0.45 3.27 -0.72 0.00 -0.25 -4.41 105.19 103.91 3khj n GLY 360 Ca 0.17 0.19 -0.35 0.00 0.00 0.00 0.00 46.02 46.03 3khj n GLY 360 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3khj s SER 361 N -3.71 4.27 0.35 1.61 0.01 0.12 -4.76 113.70 111.58 3khj s SER 361 Ca 0.38 -0.55 0.22 0.00 1.31 0.00 0.00 55.95 57.31 3khj s SER 361 Cb -0.18 -1.71 0.21 0.00 0.21 0.00 0.00 66.02 64.55 3khj s SER 361 CO 0.77 -0.06 1.42 0.00 0.41 0.00 0.00 173.24 175.78 3khj h ALA 362 N 8.09 0.83 -2.61 1.44 0.00 -1.92 -3.42 119.26 121.67 3khj h ALA 362 Ca -0.39 -0.09 -0.20 0.00 0.00 0.00 0.00 54.91 54.23 3khj h ALA 362 Cb 1.14 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 18.79 3khj h ALA 362 CO 0.60 0.11 -0.54 -1.54 0.00 0.00 0.00 179.25 177.89 3khj s SER 363 N -6.02 0.12 0.31 0.00 1.04 -1.26 0.42 113.70 108.31 3khj s SER 363 Ca 0.04 -1.28 0.07 0.00 0.48 0.00 0.00 55.95 55.26 3khj s SER 363 Cb 0.07 0.41 0.51 0.00 0.10 0.00 0.00 66.02 67.10 3khj s SER 363 CO 0.71 -0.88 1.73 0.40 0.98 0.00 0.00 173.24 176.19 3khj h ILE 364 N 2.59 1.29 -0.69 -1.02 2.04 -1.83 -0.96 117.51 118.92 3khj h ILE 364 Ca -0.34 -1.41 -0.03 0.00 1.00 0.00 0.00 64.86 64.08 3khj h ILE 364 Cb 1.24 1.61 -0.03 0.00 -0.74 0.00 0.00 36.82 38.90 3khj h ILE 364 CO 0.51 0.42 0.30 -0.33 0.00 0.00 0.00 178.15 179.05 3khj h GLU 365 N 0.20 1.00 -0.66 2.37 5.08 -1.94 -1.21 114.58 119.42 3khj h GLU 365 Ca 0.02 -0.15 -0.08 0.00 -1.00 0.00 0.00 59.36 58.15 3khj h GLU 365 Cb 0.75 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.79 3khj h GLU 365 CO 0.06 0.80 0.11 0.93 -1.00 0.00 0.00 179.01 179.91 3khj h GLU 366 N 0.99 1.09 -0.31 2.33 5.08 -1.82 -3.03 114.58 118.91 3khj h GLU 366 Ca 0.24 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3khj h GLU 366 Cb 0.15 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 3khj h GLU 366 CO -0.03 1.00 0.20 1.25 -1.00 0.00 0.00 179.01 180.43 3khj h LEU 367 N 1.01 0.37 -0.94 1.33 5.85 -0.62 -1.86 115.31 120.45 3khj h LEU 367 Ca 0.20 -0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.95 3khj h LEU 367 Cb 0.43 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.31 3khj h LEU 367 CO 0.01 0.29 0.60 -0.50 -0.34 0.00 0.00 178.44 178.50 3khj h TRP 368 N 0.41 1.12 0.00 1.25 6.55 -1.24 -1.71 115.95 122.33 3khj h TRP 368 Ca 0.11 0.03 -0.15 0.00 0.95 0.00 0.00 58.89 59.84 3khj h TRP 368 Cb -0.02 -0.37 -0.02 0.00 -0.86 0.00 0.00 29.16 27.89 3khj h TRP 368 CO -0.05 0.60 -0.70 0.87 -1.05 0.00 0.00 178.44 178.12 3khj h LYS 369 N 1.12 0.00 0.00 0.49 6.56 -1.36 -3.35 116.57 120.02 3khj h LYS 369 Ca 0.39 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.98 3khj h LYS 369 Cb 0.11 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.77 3khj h LYS 369 CO -0.15 0.70 -0.72 1.63 -2.06 0.00 0.00 179.45 178.85 3khj n LYS 370 N -3.59 2.60 -2.75 3.15 5.02 -0.73 -5.03 118.16 116.83 3khj n LYS 370 Ca -0.00 -0.02 -0.38 0.00 -2.02 0.00 0.00 58.31 55.89 3khj n LYS 370 Cb 0.71 -1.11 -0.06 0.00 -0.02 0.00 0.00 35.03 34.55 3khj n LYS 370 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3khj s SER 371 N -2.33 7.44 0.08 4.39 1.04 -0.66 -4.98 113.70 118.67 3khj s SER 371 Ca 0.03 1.91 -0.11 0.00 0.48 0.00 0.00 55.95 58.26 3khj s SER 371 Cb 0.09 -2.59 0.01 0.00 0.10 0.00 0.00 66.02 63.63 3khj s SER 371 CO 0.51 0.00 0.25 -0.94 0.98 0.00 0.00 173.24 174.04 3khj s SER 372 N -1.41 0.01 0.05 7.02 1.04 -1.26 -5.03 113.70 114.11 3khj s SER 372 Ca 0.47 -0.47 -0.03 0.00 0.48 0.00 0.00 55.95 56.39 3khj s SER 372 Cb -0.22 0.36 -0.03 0.00 0.10 0.00 0.00 66.02 66.23 3khj s SER 372 CO 0.28 -0.71 0.03 -0.72 0.98 0.00 0.00 173.24 173.11 3khj s TYR 373 N -3.44 0.36 -0.00 5.02 1.13 -1.26 -0.80 117.35 118.35 3khj s TYR 373 Ca 0.01 -0.81 0.02 0.00 -1.41 0.00 0.00 57.07 54.89 3khj s TYR 373 Cb 0.03 -0.26 -0.03 0.00 -1.10 0.00 0.00 41.96 40.59 3khj s TYR 373 CO -0.09 -0.38 -0.03 0.14 -2.51 0.00 0.00 175.55 172.68 3khj s VAL 374 N -3.36 3.96 0.39 -3.49 -7.23 -0.23 -4.93 120.40 105.51 3khj s VAL 374 Ca 0.02 -0.66 -0.25 0.00 -1.81 0.00 0.00 61.98 59.27 3khj s VAL 374 Cb 0.04 -2.75 -0.09 0.00 0.56 0.00 0.00 36.38 34.14 3khj s VAL 374 CO -0.08 0.39 1.12 -1.61 -0.31 0.00 0.00 175.10 174.61 3khj s GLU 375 N -1.48 4.16 0.12 4.82 2.02 -1.26 -1.16 118.70 125.92 3khj s GLU 375 Ca 0.18 1.72 0.05 0.00 0.02 0.00 0.00 54.97 56.94 3khj s GLU 375 Cb -0.11 -2.69 -0.04 0.00 0.10 0.00 0.00 34.13 31.39 3khj s GLU 375 CO 0.09 -0.19 -0.11 0.96 0.02 0.00 0.00 175.26 176.02 3khj s ILE 376 N -1.47 1.13 0.41 -1.63 -4.36 0.76 -4.91 121.20 111.14 3khj s ILE 376 Ca 0.56 -1.79 -0.00 0.00 -0.26 0.00 0.00 60.65 59.16 3khj s ILE 376 Cb -0.28 -1.56 -0.02 0.00 1.25 0.00 0.00 42.46 41.86 3khj s ILE 376 CO 0.35 -0.57 0.63 0.42 0.24 0.00 0.00 174.94 176.02 3khj s THR 377 N -2.60 4.63 -2.00 8.37 -4.23 -1.26 -4.79 115.64 113.76 3khj s THR 377 Ca 0.10 -0.37 0.16 0.00 -1.18 0.00 0.00 61.69 60.39 3khj s THR 377 Cb -0.02 -3.71 0.45 0.00 1.34 0.00 0.00 72.50 70.56 3khj s THR 377 CO 0.01 -0.51 1.36 1.07 -0.54 0.00 0.00 174.62 176.01