#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3khj h LYS 4 N 0.00 0.00 -6.47 1.09 1.57 -2.13 -3.41 116.57 107.22 3khj h LYS 4 Ca 0.00 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 58.23 3khj h LYS 4 Cb 0.00 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.25 3khj h LYS 4 CO 0.00 0.00 1.07 1.21 -0.57 0.00 0.00 179.45 181.16 3khj s ASN 5 N -5.69 6.23 0.00 0.86 3.84 -1.26 -4.88 114.94 114.05 3khj s ASN 5 Ca 0.04 0.42 0.27 0.00 0.21 0.00 0.00 52.86 53.80 3khj s ASN 5 Cb 0.08 -2.55 0.92 0.00 -0.55 0.00 0.00 41.25 39.15 3khj s ASN 5 CO 0.58 -1.60 1.69 2.30 -2.79 0.00 0.00 177.10 177.29 3khj n ILE 6 N 6.91 0.00 0.00 -5.21 -5.35 -1.26 -5.03 119.36 109.41 3khj n ILE 6 Ca 0.13 -0.01 0.00 0.00 -0.27 0.00 0.00 62.75 62.60 3khj n ILE 6 Cb 0.49 -0.10 0.00 0.00 -1.74 0.00 0.00 39.64 38.29 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 1.46 0.98 3.58 3.28 0.00 -1.26 -5.05 105.19 108.18 3khj n GLY 7 Ca 0.08 -1.94 -0.42 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 -1.62 3.69 0.15 1.61 2.47 -1.26 -5.04 119.74 119.74 3khj s LYS 8 Ca 0.00 0.22 -0.30 0.00 -1.56 0.00 0.00 55.97 54.33 3khj s LYS 8 Cb 0.00 -3.83 -0.07 0.00 -1.46 0.00 0.00 37.83 32.47 3khj s LYS 8 CO 0.00 -0.89 1.02 0.20 0.16 0.00 0.00 175.35 175.84 3khj s GLY 9 N 1.89 2.95 -0.10 5.54 0.00 -1.26 -5.02 107.32 111.32 3khj s GLY 9 Ca 0.31 0.68 0.02 0.00 0.00 0.00 0.00 44.72 45.72 3khj s GLY 9 CO 0.18 1.51 -0.15 1.08 0.00 0.00 0.00 173.10 175.72 3khj s LEU 10 N -0.28 2.65 0.55 0.66 1.02 -1.26 -4.92 118.68 117.09 3khj s LEU 10 Ca 0.47 -0.31 0.06 0.00 0.02 0.00 0.00 54.13 54.37 3khj s LEU 10 Cb -0.26 -1.57 0.05 0.00 0.02 0.00 0.00 46.19 44.43 3khj s LEU 10 CO 0.32 0.22 0.47 0.28 0.02 0.00 0.00 176.35 177.66 3khj s THR 11 N -0.00 1.75 0.21 5.49 -1.32 -1.26 -2.02 115.64 118.48 3khj s THR 11 Ca -0.04 -1.41 -0.10 0.00 -1.21 0.00 0.00 61.69 58.93 3khj s THR 11 Cb -0.14 -2.15 0.15 0.00 -1.51 0.00 0.00 72.50 68.84 3khj s THR 11 CO 0.04 0.00 1.73 -0.26 -2.21 0.00 0.00 174.62 173.92 3khj h PHE 12 N 0.66 0.30 0.00 9.09 0.05 -1.94 -2.08 116.94 123.02 3khj h PHE 12 Ca -0.36 0.03 0.00 0.00 3.82 0.00 0.00 57.97 61.47 3khj h PHE 12 Cb 1.30 -0.04 0.00 0.00 2.00 0.00 0.00 35.95 39.20 3khj h PHE 12 CO 0.88 0.04 0.00 0.39 -0.18 0.00 0.00 178.31 179.44 3khj n GLU 13 N -5.06 0.01 0.12 1.51 1.02 -1.26 -3.10 120.64 113.88 3khj n GLU 13 Ca 0.08 0.11 0.12 0.00 -0.02 0.00 0.00 57.16 57.46 3khj n GLU 13 Cb 0.29 -1.51 0.25 0.00 -0.02 0.00 0.00 31.44 30.45 3khj n GLU 13 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 3khj h ASP 14 N 0.00 0.00 -3.32 1.62 3.32 -1.66 -3.46 116.42 112.92 3khj h ASP 14 Ca 0.00 -0.06 -0.43 0.00 0.02 0.00 0.00 57.03 56.56 3khj h ASP 14 Cb 0.40 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 39.81 3khj h ASP 14 CO 0.00 0.03 -0.72 0.27 -1.72 0.00 0.00 179.24 177.10 3khj s ILE 15 N -3.17 1.61 0.00 0.35 -4.36 -1.18 0.77 121.20 115.22 3khj s ILE 15 Ca 0.08 -2.17 0.01 0.00 -0.26 0.00 0.00 60.65 58.30 3khj s ILE 15 Cb 0.11 -2.08 -0.00 0.00 1.25 0.00 0.00 42.46 41.73 3khj s ILE 15 CO 0.67 -0.57 -0.03 -0.76 0.24 0.00 0.00 174.94 174.48 3khj s LEU 16 N -3.31 2.03 0.18 0.37 1.43 -0.60 -4.91 118.68 113.88 3khj s LEU 16 Ca 0.23 -0.10 -0.29 0.00 -1.03 0.00 0.00 54.13 52.94 3khj s LEU 16 Cb 0.01 -0.14 -0.08 0.00 0.03 0.00 0.00 46.19 46.00 3khj s LEU 16 CO 0.07 0.01 0.92 -0.76 0.23 0.00 0.00 176.35 176.81 3khj s LEU 17 N -0.21 4.59 -0.18 1.79 1.43 -1.26 -0.82 118.68 124.01 3khj s LEU 17 Ca -0.00 1.84 -0.18 0.00 -1.03 0.00 0.00 54.13 54.76 3khj s LEU 17 Cb -0.02 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.62 3khj s LEU 17 CO -0.00 0.09 0.50 -0.69 0.23 0.00 0.00 176.35 176.48 3khj s VAL 18 N -0.77 5.13 0.26 -1.59 1.01 -0.22 -4.92 120.40 119.29 3khj s VAL 18 Ca 0.42 0.94 -0.31 0.00 0.00 0.00 0.00 61.98 63.03 3khj s VAL 18 Cb -0.25 -3.83 -0.13 0.00 0.00 0.00 0.00 36.38 32.18 3khj s VAL 18 CO 0.30 0.21 1.52 -2.65 0.00 0.00 0.00 175.10 174.49 3khj n PRO 19 N 4.55 2.39 -3.82 2.72 -0.02 -1.26 -4.60 135.00 134.95 3khj n PRO 19 Ca -0.05 0.85 -0.21 0.00 -2.02 0.00 0.00 63.50 62.06 3khj n PRO 19 Cb 0.51 -2.58 -0.04 0.00 -0.02 0.00 0.00 33.50 31.36 3khj n PRO 19 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 3khj s ASN 20 N 0.49 5.22 0.22 2.55 0.01 -0.65 -4.96 114.94 117.82 3khj s ASN 20 Ca 0.68 -0.54 -0.32 0.00 -0.71 0.00 0.00 52.86 51.97 3khj s ASN 20 Cb -0.57 -0.93 -0.14 0.00 0.41 0.00 0.00 41.25 40.02 3khj s ASN 20 CO 0.47 -0.37 1.44 0.00 -1.51 0.00 0.00 177.10 177.13 3khj n TYR 21 N -1.36 2.18 -4.84 2.20 4.19 -1.26 -4.28 117.16 113.99 3khj n TYR 21 Ca -0.02 0.41 -0.25 0.00 3.31 0.00 0.00 57.90 61.35 3khj n TYR 21 Cb 0.60 -2.47 -0.15 0.00 0.49 0.00 0.00 39.34 37.80 3khj n TYR 21 CO 0.00 0.00 0.00 0.45 0.91 0.00 0.00 176.86 178.22 3khj s SER 22 N 0.40 2.07 0.00 2.98 0.15 -1.26 -4.22 113.70 113.82 3khj s SER 22 Ca 0.70 -0.32 0.00 0.00 0.70 0.00 0.00 55.95 57.03 3khj s SER 22 Cb -0.66 -0.23 0.00 0.00 -1.71 0.00 0.00 66.02 63.42 3khj s SER 22 CO 0.48 0.21 0.52 -0.62 1.20 0.00 0.00 173.24 175.03 3khj n GLU 23 N 2.62 -0.31 -4.63 5.44 1.02 -1.26 -5.02 120.64 118.51 3khj n GLU 23 Ca -0.15 -0.59 -0.33 0.00 -0.02 0.00 0.00 57.16 56.07 3khj n GLU 23 Cb 0.54 -0.94 -0.14 0.00 -0.02 0.00 0.00 31.44 30.88 3khj n GLU 23 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 3khj s VAL 24 N -0.14 3.16 0.43 2.62 -7.23 -1.26 -5.11 120.40 112.87 3khj s VAL 24 Ca 0.00 -0.61 -0.24 0.00 -1.81 0.00 0.00 61.98 59.32 3khj s VAL 24 Cb 0.00 -2.35 -0.08 0.00 0.56 0.00 0.00 36.38 34.51 3khj s VAL 24 CO 0.00 0.51 1.13 -0.76 -0.31 0.00 0.00 175.10 175.67 3khj s LEU 25 N 0.49 4.09 0.42 1.32 2.01 -1.26 -4.72 118.68 121.03 3khj s LEU 25 Ca -0.08 2.22 0.24 0.00 0.01 0.00 0.00 54.13 56.51 3khj s LEU 25 Cb -0.15 -4.19 1.24 0.00 0.01 0.00 0.00 46.19 43.10 3khj s LEU 25 CO 0.04 -0.73 1.72 -0.65 1.01 0.00 0.00 176.35 177.74 3khj h PRO 26 N 2.30 0.26 0.00 1.29 0.11 -1.94 0.14 132.00 134.16 3khj h PRO 26 Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3khj h PRO 26 Cb 1.23 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3khj h PRO 26 CO 0.61 0.17 0.00 0.07 -0.21 0.00 0.00 178.00 178.64 3khj h ARG 27 N 0.26 0.00 0.00 1.05 0.11 -1.92 -3.10 114.38 110.79 3khj h ARG 27 Ca 0.67 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.75 3khj h ARG 27 Cb 1.92 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.00 3khj h ARG 27 CO -0.32 0.00 -0.46 1.49 0.10 0.00 0.00 179.97 180.78 3khj h GLU 28 N 0.00 0.00 -6.83 0.08 4.81 -1.09 -3.47 114.58 108.07 3khj h GLU 28 Ca 0.00 0.00 -0.52 0.00 -0.13 0.00 0.00 59.36 58.71 3khj h GLU 28 Cb 0.73 0.00 0.06 0.00 0.63 0.00 0.00 28.75 30.17 3khj h GLU 28 CO 0.00 0.00 0.65 0.08 -0.73 0.00 0.00 179.01 179.01 3khj s VAL 29 N -3.16 2.81 -0.33 0.32 1.01 -1.10 -4.96 120.40 114.99 3khj s VAL 29 Ca 0.07 0.78 -0.13 0.00 0.00 0.00 0.00 61.98 62.70 3khj s VAL 29 Cb 0.12 -3.49 -0.02 0.00 0.00 0.00 0.00 36.38 32.99 3khj s VAL 29 CO 0.69 0.17 0.25 -0.55 0.00 0.00 0.00 175.10 175.66 3khj s SER 30 N -0.29 6.08 0.00 3.32 0.15 0.20 -4.96 113.70 118.19 3khj s SER 30 Ca 0.51 -0.32 0.17 0.00 0.70 0.00 0.00 55.95 57.00 3khj s SER 30 Cb -0.39 -2.15 0.48 0.00 -1.71 0.00 0.00 66.02 62.25 3khj s SER 30 CO 0.49 -0.22 1.40 0.18 1.20 0.00 0.00 173.24 176.29 3khj n LEU 31 N 5.14 2.79 -4.75 3.45 4.77 -1.26 -4.18 117.00 122.96 3khj n LEU 31 Ca -0.12 -1.37 -0.41 0.00 -0.03 0.00 0.00 56.01 54.07 3khj n LEU 31 Cb 0.50 -0.33 -0.02 0.00 -2.33 0.00 0.00 43.42 41.23 3khj n LEU 31 CO 0.37 0.69 1.06 -1.61 -1.33 0.00 0.00 177.39 176.57 3khj s GLU 32 N -1.33 4.30 0.22 3.23 2.02 -1.08 -3.81 118.70 122.25 3khj s GLU 32 Ca 0.35 2.26 -0.08 0.00 0.02 0.00 0.00 54.97 57.52 3khj s GLU 32 Cb 0.19 -3.11 -0.02 0.00 0.10 0.00 0.00 34.13 31.29 3khj s GLU 32 CO 0.25 -0.35 0.33 -0.08 0.02 0.00 0.00 175.26 175.43 3khj s THR 33 N -0.27 0.01 -0.23 3.63 -1.32 -0.47 -4.70 115.64 112.29 3khj s THR 33 Ca 0.56 -1.62 -0.14 0.00 -1.21 0.00 0.00 61.69 59.28 3khj s THR 33 Cb -0.41 -2.27 -0.04 0.00 -1.51 0.00 0.00 72.50 68.27 3khj s THR 33 CO 0.45 -0.03 0.33 -0.54 -2.21 0.00 0.00 174.62 172.62 3khj s LYS 34 N -4.06 4.11 -0.10 7.08 1.02 -1.26 -0.12 119.74 126.41 3khj s LYS 34 Ca 0.28 0.05 -0.20 0.00 0.02 0.00 0.00 55.97 56.12 3khj s LYS 34 Cb 0.03 -3.56 -0.17 0.00 -0.52 0.00 0.00 37.83 33.61 3khj s LYS 34 CO 0.09 -0.07 0.66 1.25 -0.92 0.00 0.00 175.35 176.36 3khj h LEU 35 N 7.82 -0.06 0.00 3.17 5.85 -1.35 -3.42 115.31 127.32 3khj h LEU 35 Ca -0.36 -0.54 -0.20 0.00 0.84 0.00 0.00 57.88 57.63 3khj h LEU 35 Cb 1.16 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 42.17 3khj h LEU 35 CO 0.68 0.65 -0.15 0.35 -0.34 0.00 0.00 178.44 179.64 3khj n THR 36 N -4.76 0.00 0.98 1.05 -2.24 -0.61 -4.75 114.28 103.94 3khj n THR 36 Ca -0.07 -0.74 0.11 0.00 -2.27 0.00 0.00 64.05 61.08 3khj n THR 36 Cb 0.29 0.18 0.53 0.00 -2.10 0.00 0.00 70.33 69.24 3khj n THR 36 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 3khj n LYS 37 N -0.36 0.26 0.00 -0.78 2.85 -1.04 -3.71 118.16 115.37 3khj n LYS 37 Ca -0.05 0.09 0.00 0.00 -1.05 0.00 0.00 58.31 57.30 3khj n LYS 37 Cb 0.20 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.08 3khj n LYS 37 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 3khj n ASN 38 N -1.32 0.00 -4.44 -5.58 3.02 -1.26 -5.05 115.26 100.64 3khj n ASN 38 Ca 0.09 -0.17 -0.33 0.00 -0.03 0.00 0.00 54.58 54.15 3khj n ASN 38 Cb 0.19 0.31 -0.13 0.00 -0.61 0.00 0.00 39.78 39.53 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 -0.31 3.14 0.10 2.41 1.01 -1.24 -5.09 120.40 120.42 3khj s VAL 39 Ca 0.00 -0.66 0.06 0.00 0.00 0.00 0.00 61.98 61.38 3khj s VAL 39 Cb 0.00 -2.28 -0.03 0.00 0.00 0.00 0.00 36.38 34.07 3khj s VAL 39 CO 0.00 0.56 -0.15 -0.94 0.00 0.00 0.00 175.10 174.57 3khj s SER 40 N -0.21 1.94 0.26 3.32 1.04 -1.26 -0.92 113.70 117.87 3khj s SER 40 Ca 0.01 -0.73 0.11 0.00 0.48 0.00 0.00 55.95 55.82 3khj s SER 40 Cb -0.13 -0.07 -0.05 0.00 0.10 0.00 0.00 66.02 65.87 3khj s SER 40 CO 0.03 -0.10 -0.18 -0.76 0.98 0.00 0.00 173.24 173.21 3khj s LEU 41 N -2.14 2.58 0.08 2.42 1.43 0.83 -4.83 118.68 119.06 3khj s LEU 41 Ca 0.05 -1.03 -0.05 0.00 -1.03 0.00 0.00 54.13 52.06 3khj s LEU 41 Cb -0.07 -0.96 -0.26 0.00 0.03 0.00 0.00 46.19 44.93 3khj s LEU 41 CO 0.03 -0.04 1.16 0.11 0.23 0.00 0.00 176.35 177.84 3khj h LYS 42 N 2.35 0.30 -5.94 1.70 1.57 -1.44 -1.24 116.57 113.87 3khj h LYS 42 Ca -0.39 -0.48 -0.52 0.00 -1.87 0.00 0.00 60.65 57.38 3khj h LYS 42 Cb 1.25 0.17 -0.19 0.00 0.08 0.00 0.00 32.23 33.54 3khj h LYS 42 CO 0.61 1.21 -0.79 0.96 -0.57 0.00 0.00 179.45 180.87 3khj s ILE 43 N -2.74 1.72 -0.15 1.86 -4.36 -0.73 -2.62 121.20 114.17 3khj s ILE 43 Ca -0.04 -1.77 0.01 0.00 -0.26 0.00 0.00 60.65 58.59 3khj s ILE 43 Cb 0.07 -1.71 0.21 0.00 1.25 0.00 0.00 42.46 42.29 3khj s ILE 43 CO 0.88 -0.24 1.28 -0.81 0.24 0.00 0.00 174.94 176.29 3khj n PRO 44 N 0.59 1.40 -4.29 0.37 -0.05 -1.25 -4.50 135.00 127.28 3khj n PRO 44 Ca -0.16 -0.94 -0.34 0.00 -0.05 0.00 0.00 63.50 62.02 3khj n PRO 44 Cb 0.56 -1.37 -0.10 0.00 -0.05 0.00 0.00 33.50 32.53 3khj n PRO 44 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 175.50 174.94 3khj s LEU 45 N -1.02 3.54 -0.05 1.53 1.43 -1.26 0.54 118.68 123.39 3khj s LEU 45 Ca 0.18 0.04 0.04 0.00 -1.03 0.00 0.00 54.13 53.36 3khj s LEU 45 Cb 0.15 -1.85 0.00 0.00 0.03 0.00 0.00 46.19 44.53 3khj s LEU 45 CO 0.03 0.26 -0.15 -0.63 0.23 0.00 0.00 176.35 176.09 3khj s ILE 46 N -0.17 1.32 0.00 -0.59 1.01 0.23 -2.95 121.20 120.05 3khj s ILE 46 Ca 0.05 -0.64 -0.24 0.00 0.00 0.00 0.00 60.65 59.82 3khj s ILE 46 Cb -0.12 -1.16 -0.05 0.00 0.01 0.00 0.00 42.46 41.14 3khj s ILE 46 CO 0.02 0.39 0.73 -0.94 0.00 0.00 0.00 174.94 175.14 3khj s SER 47 N 0.22 7.12 0.69 3.58 1.04 -0.87 -0.34 113.70 125.14 3khj s SER 47 Ca -0.07 1.34 -0.17 0.00 0.48 0.00 0.00 55.95 57.53 3khj s SER 47 Cb -0.13 -2.44 0.01 0.00 0.10 0.00 0.00 66.02 63.56 3khj s SER 47 CO 0.03 -0.03 1.20 -1.20 0.98 0.00 0.00 173.24 174.22 3khj n SER 48 N 3.15 1.50 -3.56 7.02 7.64 -0.38 -2.91 113.62 126.08 3khj n SER 48 Ca -0.02 0.75 -0.41 0.00 1.01 0.00 0.00 58.87 60.20 3khj n SER 48 Cb 0.51 -1.51 -0.01 0.00 -1.01 0.00 0.00 64.21 62.19 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 -2.28 6.49 -2.49 -0.43 0.00 -1.25 -3.63 120.51 116.91 3khj n ALA 49 Ca 0.15 -3.91 -0.25 0.00 0.00 0.00 0.00 53.44 49.43 3khj n ALA 49 Cb 0.49 -3.18 -0.14 0.00 0.00 0.00 0.00 19.45 16.62 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 1.16 1.37 0.31 0.00 -1.94 -1.26 -4.62 119.30 114.32 3khj s MET 50 Ca 0.55 -0.89 0.21 0.00 -1.71 0.00 0.00 55.69 53.84 3khj s MET 50 Cb 0.16 -1.45 1.13 0.00 2.01 0.00 0.00 34.83 36.67 3khj s MET 50 CO -0.06 0.37 1.64 -0.40 -0.01 0.00 0.00 175.02 176.56 3khj n ASP 51 N 1.95 0.55 -0.86 3.03 3.85 -1.26 -1.26 116.55 122.54 3khj n ASP 51 Ca -0.17 0.75 0.12 0.00 -0.71 0.00 0.00 54.79 54.79 3khj n ASP 51 Cb 0.53 -0.82 0.20 0.00 -1.35 0.00 0.00 41.12 39.68 3khj n ASP 51 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.20 176.54 3khj n THR 52 N -2.23 0.02 0.01 2.12 -2.24 -1.26 -4.52 114.28 106.17 3khj n THR 52 Ca -0.01 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 3khj n THR 52 Cb 0.04 1.26 0.00 0.00 -2.10 0.00 0.00 70.33 69.53 3khj n THR 52 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 3khj n VAL 53 N 1.10 0.03 -4.02 2.28 3.14 -0.39 -4.42 118.33 116.05 3khj n VAL 53 Ca 0.15 0.01 -0.31 0.00 -2.96 0.00 0.00 64.34 61.23 3khj n VAL 53 Cb 0.55 -0.91 -0.15 0.00 -1.06 0.00 0.00 33.84 32.27 3khj n VAL 53 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 3khj s THR 54 N -2.00 2.02 0.17 1.55 2.01 -0.81 -4.28 115.64 114.29 3khj s THR 54 Ca 0.00 -1.68 0.01 0.00 0.31 0.00 0.00 61.69 60.33 3khj s THR 54 Cb 0.00 -2.24 -0.01 0.00 0.01 0.00 0.00 72.50 70.27 3khj s THR 54 CO 0.00 -0.17 0.05 -0.62 -0.69 0.00 0.00 174.62 173.19 3khj n GLU 55 N 4.46 0.88 -0.34 4.92 1.02 -1.26 -3.29 120.64 127.04 3khj n GLU 55 Ca -0.10 -1.40 0.15 0.00 -0.02 0.00 0.00 57.16 55.79 3khj n GLU 55 Cb 0.42 0.71 0.35 0.00 -0.02 0.00 0.00 31.44 32.90 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 1.25 0.94 -0.20 -0.32 2.07 -1.94 0.02 115.15 116.98 3khj h HIS 56 Ca -0.13 0.04 0.02 0.00 -2.85 0.00 0.00 60.37 57.44 3khj h HIS 56 Cb 0.49 -0.26 -0.02 0.00 2.57 0.00 0.00 27.41 30.19 3khj h HIS 56 CO 0.00 0.09 0.06 -0.07 -3.07 0.00 0.00 177.93 174.94 3khj h LEU 57 N 0.59 0.06 -0.76 6.12 4.07 -1.94 -1.62 115.31 121.83 3khj h LEU 57 Ca 0.60 0.02 -0.03 0.00 0.08 0.00 0.00 57.88 58.56 3khj h LEU 57 Cb 1.08 0.02 -0.04 0.00 1.08 0.00 0.00 40.66 42.81 3khj h LEU 57 CO -0.46 0.06 0.37 -0.03 -1.08 0.00 0.00 178.44 177.30 3khj h MET 58 N 0.15 1.10 -0.52 1.13 4.05 -0.93 -2.43 114.93 117.48 3khj h MET 58 Ca 0.09 -0.16 -0.09 0.00 -0.28 0.00 0.00 59.70 59.25 3khj h MET 58 Cb 0.06 -0.20 -0.02 0.00 -0.80 0.00 0.00 31.60 30.64 3khj h MET 58 CO -0.09 0.85 -0.05 0.00 0.23 0.00 0.00 176.91 177.84 3khj h ALA 59 N 1.19 0.94 -0.45 0.39 0.00 -1.16 -1.02 119.26 119.14 3khj h ALA 59 Ca 0.26 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 3khj h ALA 59 Cb 0.11 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3khj h ALA 59 CO -0.03 0.63 0.11 0.28 0.00 0.00 0.00 179.25 180.24 3khj h VAL 60 N 0.83 1.23 0.10 0.00 2.07 -1.17 -1.67 116.25 117.65 3khj h VAL 60 Ca 0.15 -0.81 -0.00 0.00 0.82 0.00 0.00 66.70 66.86 3khj h VAL 60 Cb 0.56 0.91 -0.00 0.00 -1.52 0.00 0.00 31.29 31.24 3khj h VAL 60 CO 0.03 0.29 -0.06 1.23 0.02 0.00 0.00 177.57 179.08 3khj h GLY 61 N 0.59 -0.16 0.96 2.17 0.00 -1.22 -2.06 103.07 103.34 3khj h GLY 61 Ca 0.14 0.07 0.01 0.00 0.00 0.00 0.00 47.33 47.55 3khj h GLY 61 CO 0.00 -0.07 0.28 -0.33 0.00 0.00 0.00 176.54 176.43 3khj h MET 62 N -0.16 0.55 -0.65 4.80 2.86 -1.13 -2.40 114.93 118.80 3khj h MET 62 Ca -0.01 -0.03 -0.07 0.00 -2.06 0.00 0.00 59.70 57.53 3khj h MET 62 Cb 0.13 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.64 3khj h MET 62 CO 0.01 0.37 0.13 0.00 1.06 0.00 0.00 176.91 178.48 3khj h ALA 63 N 1.18 1.01 0.00 6.32 0.00 -1.27 0.30 119.26 126.80 3khj h ALA 63 Ca 0.17 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3khj h ALA 63 Cb -0.03 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.51 3khj h ALA 63 CO -0.06 0.64 0.00 0.00 0.00 0.00 0.00 179.25 179.83 3khj h ARG 64 N 0.98 0.00 -0.03 0.00 3.08 -1.14 -2.65 114.38 114.63 3khj h ARG 64 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.25 3khj h ARG 64 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.43 3khj h ARG 64 CO 0.01 0.00 -0.02 1.28 -1.07 0.00 0.00 179.97 180.17 3khj n LEU 65 N -3.08 2.74 0.00 3.04 4.77 -0.92 -4.95 117.00 118.59 3khj n LEU 65 Ca 0.00 -0.92 0.00 0.00 -0.03 0.00 0.00 56.01 55.07 3khj n LEU 65 Cb 0.30 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 3khj n LEU 65 CO 0.27 0.46 0.00 0.61 -1.33 0.00 0.00 177.39 177.40 3khj n GLY 66 N 1.33 0.58 0.00 -0.72 0.00 -0.92 -4.73 105.19 100.73 3khj n GLY 66 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -1.35 2.28 3.28 -0.02 0.00 0.10 -1.22 105.19 108.27 3khj n GLY 67 Ca 0.00 -1.94 -0.13 0.00 0.00 0.00 0.00 46.02 43.95 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 2.60 0.02 -0.02 -0.61 2.07 -1.15 -3.57 121.20 120.53 3khj s ILE 68 Ca 0.00 -0.17 -0.01 0.00 -1.41 0.00 0.00 60.65 59.06 3khj s ILE 68 Cb 0.00 -0.60 -0.04 0.00 0.13 0.00 0.00 42.46 41.95 3khj s ILE 68 CO 0.00 -0.09 0.09 -0.83 -1.91 0.00 0.00 174.94 172.20 3khj s GLY 69 N -0.41 2.03 -0.34 1.50 0.00 -1.26 -2.05 107.32 106.79 3khj s GLY 69 Ca -0.05 -0.83 -0.03 0.00 0.00 0.00 0.00 44.72 43.81 3khj s GLY 69 CO 0.02 -0.68 0.08 -0.42 0.00 0.00 0.00 173.10 172.10 3khj s ILE 70 N -1.17 3.26 0.09 0.90 -1.09 -1.14 -1.44 121.20 120.61 3khj s ILE 70 Ca 0.22 -1.51 -0.31 0.00 -2.23 0.00 0.00 60.65 56.82 3khj s ILE 70 Cb -0.12 -2.96 -0.09 0.00 -1.58 0.00 0.00 42.46 37.71 3khj s ILE 70 CO 0.12 -0.28 1.67 -0.63 -1.23 0.00 0.00 174.94 174.60 3khj s ILE 71 N 1.26 2.90 0.74 2.92 1.09 -0.13 -3.84 121.20 126.14 3khj s ILE 71 Ca -0.01 0.41 -0.13 0.00 -1.10 0.00 0.00 60.65 59.81 3khj s ILE 71 Cb -0.21 -3.26 0.04 0.00 -1.06 0.00 0.00 42.46 37.98 3khj s ILE 71 CO -0.01 0.00 1.14 -1.38 -0.10 0.00 0.00 174.94 174.60 3khj s HIS 72 N 2.49 2.28 -1.68 3.97 -3.43 -1.21 -1.75 115.29 115.96 3khj s HIS 72 Ca 0.75 1.60 0.26 0.00 -0.80 0.00 0.00 55.06 56.87 3khj s HIS 72 Cb -0.41 -3.27 0.63 0.00 -1.43 0.00 0.00 32.58 28.10 3khj s HIS 72 CO 0.33 -2.17 1.49 0.36 -2.00 0.00 0.00 174.74 172.74 3khj n LYS 73 N -2.98 0.76 -0.82 -0.38 2.85 -1.26 -4.62 118.16 111.72 3khj n LYS 73 Ca 0.11 -0.48 -0.20 0.00 -1.05 0.00 0.00 58.31 56.70 3khj n LYS 73 Cb 0.52 -1.49 -0.05 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 -0.70 5.11 -3.63 -5.58 2.85 -1.26 -4.68 115.26 107.37 3khj n ASN 74 Ca 0.11 -2.31 -0.05 0.00 -0.11 0.00 0.00 54.58 52.23 3khj n ASN 74 Cb 0.36 -1.13 -0.01 0.00 1.24 0.00 0.00 39.78 40.24 3khj n ASN 74 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3khj s MET 75 N 2.56 1.44 0.79 1.20 0.23 -1.26 -5.02 119.30 119.24 3khj s MET 75 Ca 0.47 -0.84 -0.11 0.00 -1.03 0.00 0.00 55.69 54.18 3khj s MET 75 Cb 0.16 0.46 0.07 0.00 -1.53 0.00 0.00 34.83 33.99 3khj s MET 75 CO -0.03 -0.66 1.09 0.16 -2.03 0.00 0.00 175.02 173.55 3khj s ASP 76 N -3.03 4.38 0.16 -1.18 -4.77 -1.26 -4.84 116.67 106.13 3khj s ASP 76 Ca 0.14 1.68 -0.15 0.00 -3.30 0.00 0.00 52.55 50.91 3khj s ASP 76 Cb -0.03 -2.40 0.10 0.00 -1.09 0.00 0.00 42.92 39.50 3khj s ASP 76 CO 0.05 -2.09 1.73 0.24 0.70 0.00 0.00 175.17 175.80 3khj h MET 77 N -1.17 0.22 -0.96 2.11 2.86 -2.00 -2.06 114.93 113.95 3khj h MET 77 Ca -0.45 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.18 3khj h MET 77 Cb 1.24 -0.05 -0.05 0.00 0.06 0.00 0.00 31.60 32.81 3khj h MET 77 CO 0.53 0.15 0.60 0.93 1.06 0.00 0.00 176.91 180.18 3khj h GLU 78 N 0.23 1.28 -0.26 1.72 3.07 -1.99 -1.48 114.58 117.14 3khj h GLU 78 Ca 0.19 -0.10 -0.03 0.00 -0.50 0.00 0.00 59.36 58.92 3khj h GLU 78 Cb 0.21 -0.28 -0.01 0.00 -0.84 0.00 0.00 28.75 27.83 3khj h GLU 78 CO -0.23 0.87 0.05 0.77 -1.40 0.00 0.00 179.01 179.07 3khj h SER 79 N 1.31 0.41 -0.46 1.42 0.02 -1.85 -1.44 113.55 112.96 3khj h SER 79 Ca 0.35 -0.25 -0.08 0.00 -0.84 0.00 0.00 61.79 60.97 3khj h SER 79 Cb -0.10 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.31 3khj h SER 79 CO -0.07 0.55 0.00 -0.61 -1.14 0.00 0.00 176.83 175.56 3khj h GLN 80 N 0.25 0.88 -0.58 3.45 4.15 -1.08 -0.39 115.11 121.78 3khj h GLN 80 Ca 0.08 -0.25 -0.07 0.00 0.77 0.00 0.00 58.65 59.18 3khj h GLN 80 Cb 0.31 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.88 3khj h GLN 80 CO 0.00 0.88 0.09 0.28 -1.93 0.00 0.00 178.83 178.15 3khj h VAL 81 N 0.82 1.26 -0.12 2.39 2.07 -1.24 -1.99 116.25 119.43 3khj h VAL 81 Ca 0.15 -0.99 0.01 0.00 0.82 0.00 0.00 66.70 66.70 3khj h VAL 81 Cb 0.48 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 3khj h VAL 81 CO 0.02 0.36 0.02 0.78 0.02 0.00 0.00 177.57 178.78 3khj h ASN 82 N 0.86 0.01 -0.97 0.57 2.35 -0.81 0.35 115.58 117.94 3khj h ASN 82 Ca 0.18 0.02 0.09 0.00 -0.55 0.00 0.00 56.30 56.03 3khj h ASN 82 Cb 0.42 0.02 -0.07 0.00 0.05 0.00 0.00 38.32 38.75 3khj h ASN 82 CO 0.01 0.02 0.62 -0.33 -1.65 0.00 0.00 177.43 176.10 3khj h GLU 83 N 0.08 1.03 -0.59 0.81 4.39 -0.99 0.21 114.58 119.51 3khj h GLU 83 Ca 0.05 -0.06 -0.08 0.00 0.34 0.00 0.00 59.36 59.61 3khj h GLU 83 Cb 0.05 -0.23 -0.02 0.00 -0.10 0.00 0.00 28.75 28.44 3khj h GLU 83 CO -0.07 0.68 0.06 0.28 -1.16 0.00 0.00 179.01 178.79 3khj h VAL 84 N 1.06 1.26 -0.56 3.13 2.07 -0.99 -3.08 116.25 119.14 3khj h VAL 84 Ca 0.45 -1.06 -0.06 0.00 0.82 0.00 0.00 66.70 66.85 3khj h VAL 84 Cb 0.30 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 3khj h VAL 84 CO -0.21 0.39 0.11 -0.07 0.02 0.00 0.00 177.57 177.80 3khj h LEU 85 N 0.91 0.88 -1.26 2.57 3.38 0.22 -2.49 115.31 119.52 3khj h LEU 85 Ca 0.18 -0.25 0.07 0.00 0.09 0.00 0.00 57.88 57.97 3khj h LEU 85 Cb 0.48 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.94 3khj h LEU 85 CO 0.02 0.91 0.54 0.11 0.09 0.00 0.00 178.44 180.11 3khj h LYS 86 N 0.82 0.85 -0.25 1.13 1.57 -0.98 0.26 116.57 119.98 3khj h LYS 86 Ca 0.17 -0.05 -0.14 0.00 -1.87 0.00 0.00 60.65 58.76 3khj h LYS 86 Cb 0.39 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.51 3khj h LYS 86 CO 0.01 0.56 -0.40 0.28 -0.57 0.00 0.00 179.45 179.33 3khj h VAL 87 N 0.88 1.31 -0.12 0.50 2.07 -1.43 -3.09 116.25 116.36 3khj h VAL 87 Ca 0.36 -1.61 -0.11 0.00 0.82 0.00 0.00 66.70 66.17 3khj h VAL 87 Cb 0.28 1.72 -0.01 0.00 -1.52 0.00 0.00 31.29 31.76 3khj h VAL 87 CO -0.14 0.51 -0.40 0.11 0.02 0.00 0.00 177.57 177.67 3khj h LYS 88 N 0.44 0.27 -0.39 1.57 1.79 -0.89 -3.21 116.57 116.15 3khj h LYS 88 Ca 0.02 -0.13 -0.05 0.00 -2.18 0.00 0.00 60.65 58.32 3khj h LYS 88 Cb 1.00 -0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.63 3khj h LYS 88 CO 0.09 0.63 0.06 -0.91 -1.08 0.00 0.00 179.45 178.25 3khj h ASN 89 N 0.23 0.61 -1.65 0.86 2.35 -0.52 -2.23 115.58 115.23 3khj h ASN 89 Ca 0.02 -0.26 -0.73 0.00 -0.55 0.00 0.00 56.30 54.78 3khj h ASN 89 Cb 0.81 -0.16 -0.15 0.00 0.05 0.00 0.00 38.32 38.87 3khj h ASN 89 CO 0.06 0.72 1.76 -1.54 -1.65 0.00 0.00 177.43 176.78 3khj n SER 90 N -4.54 5.07 0.00 5.81 3.41 -1.17 -4.45 113.62 117.76 3khj n SER 90 Ca -0.01 -3.00 0.00 0.00 -0.26 0.00 0.00 58.87 55.60 3khj n SER 90 Cb 0.23 -1.57 0.00 0.00 -0.26 0.00 0.00 64.21 62.61 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 3.90 0.39 2.84 5.00 0.00 -1.26 -4.55 105.19 111.52 3khj n GLY 91 Ca 0.40 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.33 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 -1.49 -0.78 3.99 -0.02 0.00 -0.84 -5.04 105.19 101.02 3khj n GLY 92 Ca 0.00 0.39 -0.25 0.00 0.00 0.00 0.00 46.02 46.16 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 -4.63 2.91 0.12 0.99 1.43 -1.26 -5.04 118.68 113.20 3khj s LEU 135 Ca 0.29 -0.38 -0.26 0.00 -1.03 0.00 0.00 54.13 52.75 3khj s LEU 135 Cb -0.04 -1.82 -0.07 0.00 0.03 0.00 0.00 46.19 44.29 3khj s LEU 135 CO 0.58 -2.12 0.82 -0.13 0.23 0.00 0.00 176.35 175.73 3khj s ARG 136 N -5.30 4.59 -0.08 1.70 1.81 -1.26 -4.84 118.95 115.57 3khj s ARG 136 Ca 0.69 1.20 -0.13 0.00 -1.72 0.00 0.00 55.73 55.77 3khj s ARG 136 Cb -0.04 -3.32 0.03 0.00 -0.45 0.00 0.00 34.95 31.17 3khj s ARG 136 CO 0.46 0.41 0.33 0.54 -0.68 0.00 0.00 175.30 176.36 3khj s VAL 137 N -0.59 0.02 0.21 3.52 0.11 -1.26 -4.58 120.40 117.84 3khj s VAL 137 Ca 0.39 -0.19 0.05 0.00 -2.93 0.00 0.00 61.98 59.29 3khj s VAL 137 Cb -0.22 -0.54 -0.05 0.00 -1.53 0.00 0.00 36.38 34.04 3khj s VAL 137 CO 0.26 -0.11 -0.06 -0.83 -3.33 0.00 0.00 175.10 171.04 3khj s GLY 138 N -0.44 1.43 -0.05 6.54 0.00 -0.52 -0.98 107.32 113.30 3khj s GLY 138 Ca -0.06 -1.69 -0.13 0.00 0.00 0.00 0.00 44.72 42.84 3khj s GLY 138 CO 0.02 -1.68 0.30 0.00 0.00 0.00 0.00 173.10 171.74 3khj s ALA 139 N -3.28 -0.74 0.09 3.20 0.00 -1.06 -0.95 121.76 119.02 3khj s ALA 139 Ca 0.24 0.48 -0.05 0.00 0.00 0.00 0.00 51.96 52.64 3khj s ALA 139 Cb 0.04 -0.13 -0.05 0.00 0.00 0.00 0.00 23.12 22.98 3khj s ALA 139 CO 0.06 -0.22 0.33 0.00 0.00 0.00 0.00 175.76 175.93 3khj s ALA 140 N -0.82 3.83 0.10 0.00 0.00 -0.72 -0.74 121.76 123.41 3khj s ALA 140 Ca -0.09 -0.59 0.03 0.00 0.00 0.00 0.00 51.96 51.30 3khj s ALA 140 Cb -0.04 -2.08 -0.04 0.00 0.00 0.00 0.00 23.12 20.96 3khj s ALA 140 CO 0.03 0.68 -0.08 0.96 0.00 0.00 0.00 175.76 177.35 3khj s ILE 141 N -1.53 0.80 0.00 0.00 -4.36 -0.40 -4.27 121.20 111.44 3khj s ILE 141 Ca 0.36 -1.79 0.00 0.00 -0.26 0.00 0.00 60.65 58.97 3khj s ILE 141 Cb -0.13 -1.51 0.00 0.00 1.25 0.00 0.00 42.46 42.08 3khj s ILE 141 CO 0.23 -0.72 0.00 0.61 0.24 0.00 0.00 174.94 175.29 3khj n GLY 142 N 0.25 1.02 3.77 6.27 0.00 -1.26 -1.96 105.19 113.27 3khj n GLY 142 Ca -0.14 -1.94 -0.39 0.00 0.00 0.00 0.00 46.02 43.56 3khj n GLY 142 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3khj s VAL 143 N 0.96 3.48 0.00 1.61 -7.23 -1.26 -3.59 120.40 114.36 3khj s VAL 143 Ca 0.00 1.31 0.00 0.00 -1.81 0.00 0.00 61.98 61.48 3khj s VAL 143 Cb 0.00 -3.76 0.00 0.00 0.56 0.00 0.00 36.38 33.18 3khj s VAL 143 CO 0.00 0.18 0.00 0.59 -0.31 0.00 0.00 175.10 175.56 3khj n ASN 144 N 0.51 0.00 -3.44 4.85 3.02 -1.26 -4.87 115.26 114.07 3khj n ASN 144 Ca 0.02 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.19 3khj n ASN 144 Cb 0.47 -1.77 -0.02 0.00 -0.61 0.00 0.00 39.78 37.85 3khj n ASN 144 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3khj n GLU 145 N -2.00 3.16 -0.03 3.52 1.02 -1.24 -4.61 120.64 120.46 3khj n GLU 145 Ca 0.00 -2.22 -0.16 0.00 -0.02 0.00 0.00 57.16 54.76 3khj n GLU 145 Cb 0.00 -2.92 -0.08 0.00 -0.02 0.00 0.00 31.44 28.42 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 3.43 1.36 -0.43 -3.67 1.08 -1.89 -2.91 117.51 114.48 3khj h ILE 146 Ca 0.72 -1.78 -0.03 0.00 -0.39 0.00 0.00 64.86 63.38 3khj h ILE 146 Cb 0.40 2.13 -0.02 0.00 -3.07 0.00 0.00 36.82 36.26 3khj h ILE 146 CO 1.79 0.54 0.13 -0.08 -0.69 0.00 0.00 178.15 179.84 3khj h GLU 147 N 0.15 0.66 -0.27 2.37 4.57 -1.99 -0.37 114.58 119.70 3khj h GLU 147 Ca -0.03 -0.14 0.06 0.00 -1.18 0.00 0.00 59.36 58.07 3khj h GLU 147 Cb 1.11 -0.10 -0.06 0.00 -0.16 0.00 0.00 28.75 29.54 3khj h GLU 147 CO 0.10 0.65 -0.16 -0.09 -1.18 0.00 0.00 179.01 178.34 3khj h ARG 148 N 0.55 -0.13 -0.33 1.92 2.43 -1.94 -0.30 114.38 116.59 3khj h ARG 148 Ca 0.14 0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.35 3khj h ARG 148 Cb 0.27 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.81 3khj h ARG 148 CO -0.00 -0.08 0.13 0.00 -1.51 0.00 0.00 179.97 178.50 3khj h ALA 149 N 1.06 0.38 -0.39 2.80 0.00 -1.30 -1.39 119.26 120.42 3khj h ALA 149 Ca 0.14 0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.14 3khj h ALA 149 Cb 0.35 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 3khj h ALA 149 CO -0.35 -0.26 0.06 -0.22 0.00 0.00 0.00 179.25 178.49 3khj h LYS 150 N 0.28 0.18 -0.24 0.00 3.64 -0.46 0.87 116.57 120.84 3khj h LYS 150 Ca 0.14 -0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.42 3khj h LYS 150 Cb 0.10 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 3khj h LYS 150 CO -0.13 0.12 -0.25 -0.07 -2.27 0.00 0.00 179.45 176.85 3khj h LEU 151 N 0.19 0.46 -0.52 5.20 3.38 -0.90 -1.91 115.31 121.21 3khj h LEU 151 Ca 0.19 -0.15 -0.12 0.00 0.09 0.00 0.00 57.88 57.89 3khj h LEU 151 Cb 0.23 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 3khj h LEU 151 CO -0.26 0.71 -0.14 -0.07 0.09 0.00 0.00 178.44 178.77 3khj h LEU 152 N 0.40 1.02 -0.31 1.67 3.38 -0.51 -1.45 115.31 119.51 3khj h LEU 152 Ca 0.06 -0.36 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 3khj h LEU 152 Cb 0.66 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 3khj h LEU 152 CO 0.05 1.15 0.16 0.58 0.09 0.00 0.00 178.44 180.47 3khj h VAL 153 N 0.88 1.14 0.00 1.22 2.07 -0.65 -2.45 116.25 118.47 3khj h VAL 153 Ca 0.13 -0.39 -0.03 0.00 0.82 0.00 0.00 66.70 67.24 3khj h VAL 153 Cb 0.71 0.82 -0.00 0.00 -1.52 0.00 0.00 31.29 31.30 3khj h VAL 153 CO 0.05 0.15 -0.14 -0.33 0.02 0.00 0.00 177.57 177.32 3khj h GLU 154 N 0.38 0.00 0.00 1.57 5.08 -1.27 -0.92 114.58 119.43 3khj h GLU 154 Ca 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 3khj h GLU 154 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 3khj h GLU 154 CO -0.02 0.14 0.00 0.00 -1.00 0.00 0.00 179.01 178.13 3khj n ALA 155 N -2.26 1.98 0.00 3.43 0.00 -0.55 -4.90 120.51 118.21 3khj n ALA 155 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3khj n ALA 155 Cb 0.28 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.33 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 0.70 0.87 3.57 0.00 0.00 -0.35 -4.70 105.19 105.28 3khj n GLY 156 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 3khj n GLY 156 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3khj n VAL 157 N -1.12 2.58 -0.03 1.61 3.14 -0.95 -4.93 118.33 118.63 3khj n VAL 157 Ca 0.00 -0.50 -0.03 0.00 -2.96 0.00 0.00 64.34 60.85 3khj n VAL 157 Cb 0.00 -1.02 -0.13 0.00 -1.06 0.00 0.00 33.84 31.63 3khj n VAL 157 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 3khj n ASP 158 N 0.35 0.46 -3.80 6.55 9.92 -0.16 -4.81 116.55 125.07 3khj n ASP 158 Ca 0.11 0.21 -0.12 0.00 -0.53 0.00 0.00 54.79 54.45 3khj n ASP 158 Cb 0.42 0.66 -0.11 0.00 -0.64 0.00 0.00 41.12 41.45 3khj n ASP 158 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 3khj s VAL 159 N -2.81 0.02 -0.19 2.53 0.11 -1.21 -4.34 120.40 114.50 3khj s VAL 159 Ca -0.06 -0.19 -0.05 0.00 -2.93 0.00 0.00 61.98 58.74 3khj s VAL 159 Cb 0.08 -0.40 -0.03 0.00 -1.53 0.00 0.00 36.38 34.51 3khj s VAL 159 CO 0.83 -0.11 0.00 -0.63 -3.33 0.00 0.00 175.10 171.87 3khj s ILE 160 N -0.36 4.05 -0.48 7.04 -1.09 -0.79 -2.55 121.20 127.02 3khj s ILE 160 Ca -0.05 -0.29 -0.16 0.00 -2.23 0.00 0.00 60.65 57.93 3khj s ILE 160 Cb -0.03 -2.82 0.08 0.00 -1.58 0.00 0.00 42.46 38.10 3khj s ILE 160 CO 0.01 0.44 0.41 -0.69 -1.23 0.00 0.00 174.94 173.88 3khj s VAL 161 N 0.85 5.22 -0.93 2.92 1.01 0.08 -0.99 120.40 128.55 3khj s VAL 161 Ca 0.01 -1.09 -0.24 0.00 0.00 0.00 0.00 61.98 60.66 3khj s VAL 161 Cb -0.14 -4.15 0.04 0.00 0.00 0.00 0.00 36.38 32.13 3khj s VAL 161 CO 0.02 -0.62 1.40 -0.22 0.00 0.00 0.00 175.10 175.68 3khj s LEU 162 N 1.67 3.40 -0.03 3.92 0.20 0.21 -1.28 118.68 126.77 3khj s LEU 162 Ca 0.04 -1.15 -0.12 0.00 0.69 0.00 0.00 54.13 53.60 3khj s LEU 162 Cb -0.25 -2.57 -0.05 0.00 -0.43 0.00 0.00 46.19 42.89 3khj s LEU 162 CO 0.06 -1.61 0.33 -1.81 -0.29 0.00 0.00 176.35 173.03 3khj s ASP 163 N 4.60 6.67 0.15 3.68 1.01 -0.83 -1.85 116.67 130.10 3khj s ASP 163 Ca 0.43 0.79 -0.23 0.00 0.71 0.00 0.00 52.55 54.25 3khj s ASP 163 Cb -0.02 -2.19 0.07 0.00 1.01 0.00 0.00 42.92 41.79 3khj s ASP 163 CO -0.02 0.33 0.62 -0.94 0.21 0.00 0.00 175.17 175.37 3khj s SER 164 N -1.15 -0.55 0.36 0.27 1.04 -0.57 -4.54 113.70 108.57 3khj s SER 164 Ca 0.22 -0.01 0.05 0.00 0.48 0.00 0.00 55.95 56.70 3khj s SER 164 Cb -0.15 0.59 0.69 0.00 0.10 0.00 0.00 66.02 67.25 3khj s SER 164 CO 0.11 -0.95 1.95 0.00 0.98 0.00 0.00 173.24 175.33 3khj h ALA 165 N 2.00 1.50 -2.95 5.32 0.00 -1.91 -1.06 119.26 122.16 3khj h ALA 165 Ca -0.33 -0.13 -0.60 0.00 0.00 0.00 0.00 54.91 53.85 3khj h ALA 165 Cb 1.30 -0.16 -0.40 0.00 0.00 0.00 0.00 17.79 18.54 3khj h ALA 165 CO 0.37 0.38 -0.76 -1.58 0.00 0.00 0.00 179.25 177.66 3khj s HIS 166 N -5.18 1.66 0.24 0.00 5.65 -1.26 -4.58 115.29 111.81 3khj s HIS 166 Ca -0.08 -2.10 0.35 0.00 0.25 0.00 0.00 55.06 53.48 3khj s HIS 166 Cb 0.16 -1.66 1.55 0.00 -1.18 0.00 0.00 32.58 31.45 3khj s HIS 166 CO 0.75 -0.81 2.06 0.78 -0.65 0.00 0.00 174.74 176.86 3khj h GLY 167 N 7.11 0.00 -6.33 1.59 0.00 -1.26 -3.34 103.07 100.85 3khj h GLY 167 Ca -0.03 0.00 -0.76 0.00 0.00 0.00 0.00 47.33 46.55 3khj h GLY 167 CO 0.44 0.00 2.04 1.57 0.00 0.00 0.00 176.54 180.59 3khj n HIS 168 N -3.15 2.83 -4.21 5.60 -0.00 -1.26 -4.72 115.22 110.31 3khj n HIS 168 Ca -0.00 -2.78 -0.12 0.00 0.46 0.00 0.00 57.72 55.27 3khj n HIS 168 Cb 0.26 -1.90 -0.10 0.00 -0.12 0.00 0.00 29.99 28.14 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 0.65 0.59 0.03 0.26 1.04 -1.25 -5.08 113.70 109.94 3khj s SER 169 Ca 0.41 -1.29 -0.25 0.00 0.48 0.00 0.00 55.95 55.30 3khj s SER 169 Cb 0.11 0.27 -0.17 0.00 0.10 0.00 0.00 66.02 66.32 3khj s SER 169 CO -0.01 -0.74 1.48 0.25 0.98 0.00 0.00 173.24 175.21 3khj h LEU 170 N 2.66 -0.10 -1.35 2.42 6.46 -1.94 -3.05 115.31 120.41 3khj h LEU 170 Ca -0.36 -0.21 -0.04 0.00 -0.12 0.00 0.00 57.88 57.15 3khj h LEU 170 Cb 1.23 0.02 -0.02 0.00 -0.73 0.00 0.00 40.66 41.16 3khj h LEU 170 CO 0.58 0.15 0.04 0.78 -0.62 0.00 0.00 178.44 179.37 3khj h ASN 171 N -0.35 0.43 -0.31 1.25 2.35 -1.98 -0.02 115.58 116.96 3khj h ASN 171 Ca -0.01 -0.06 -0.03 0.00 -0.55 0.00 0.00 56.30 55.64 3khj h ASN 171 Cb 0.30 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.54 3khj h ASN 171 CO 0.02 0.47 0.08 0.40 -1.65 0.00 0.00 177.43 176.75 3khj h ILE 172 N 0.46 1.22 -0.70 2.81 1.08 -1.87 -1.41 117.51 119.09 3khj h ILE 172 Ca 0.11 -0.73 -0.07 0.00 -0.39 0.00 0.00 64.86 63.77 3khj h ILE 172 Cb 0.24 1.10 -0.03 0.00 -3.07 0.00 0.00 36.82 35.07 3khj h ILE 172 CO 0.00 0.24 0.14 0.40 -0.69 0.00 0.00 178.15 178.25 3khj h ILE 173 N 0.34 1.26 -0.73 -0.67 2.04 -1.28 -0.82 117.51 117.65 3khj h ILE 173 Ca 0.10 -1.01 -0.06 0.00 1.00 0.00 0.00 64.86 64.89 3khj h ILE 173 Cb 0.29 0.57 -0.03 0.00 -0.74 0.00 0.00 36.82 36.91 3khj h ILE 173 CO 0.00 0.39 0.23 0.03 0.00 0.00 0.00 178.15 178.80 3khj h ARG 174 N 1.07 1.13 -0.63 2.37 3.08 -0.95 -0.93 114.38 119.52 3khj h ARG 174 Ca 0.22 -0.23 -0.06 0.00 0.07 0.00 0.00 59.98 59.97 3khj h ARG 174 Cb 0.41 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.27 3khj h ARG 174 CO 0.01 0.95 0.15 1.15 -1.07 0.00 0.00 179.97 181.16 3khj h THR 175 N 1.08 1.25 0.14 2.04 2.02 -1.02 -2.05 112.91 116.38 3khj h THR 175 Ca 0.24 -0.93 -0.01 0.00 0.77 0.00 0.00 66.41 66.48 3khj h THR 175 Cb 0.29 0.65 0.00 0.00 -1.74 0.00 0.00 68.15 67.36 3khj h THR 175 CO -0.01 0.35 -0.07 0.25 0.37 0.00 0.00 175.52 176.42 3khj h LEU 176 N 0.93 -0.16 -0.80 2.58 6.46 -0.66 -0.12 115.31 123.54 3khj h LEU 176 Ca 0.20 -0.03 0.06 0.00 -0.12 0.00 0.00 57.88 57.99 3khj h LEU 176 Cb 0.36 0.04 -0.06 0.00 -0.73 0.00 0.00 40.66 40.28 3khj h LEU 176 CO 0.00 -0.08 0.49 0.11 -0.62 0.00 0.00 178.44 178.34 3khj h LYS 177 N -0.22 0.87 -0.51 1.25 1.57 -1.19 -1.71 116.57 116.61 3khj h LYS 177 Ca -0.02 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.61 3khj h LYS 177 Cb 0.17 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 3khj h LYS 177 CO 0.03 0.57 -0.06 1.49 -0.57 0.00 0.00 179.45 180.92 3khj h GLU 178 N 0.89 0.95 0.05 3.15 4.81 -1.06 -2.38 114.58 120.99 3khj h GLU 178 Ca 0.35 -0.33 -0.00 0.00 -0.13 0.00 0.00 59.36 59.25 3khj h GLU 178 Cb 0.17 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.48 3khj h GLU 178 CO -0.17 0.99 -0.02 0.82 -0.73 0.00 0.00 179.01 179.90 3khj h ILE 179 N 0.81 1.09 0.00 2.32 2.04 -0.82 -2.53 117.51 120.41 3khj h ILE 179 Ca 0.14 -0.43 -0.01 0.00 1.00 0.00 0.00 64.86 65.56 3khj h ILE 179 Cb 0.60 1.38 -0.00 0.00 -0.74 0.00 0.00 36.82 38.06 3khj h ILE 179 CO 0.04 0.11 -0.03 0.11 0.00 0.00 0.00 178.15 178.38 3khj h LYS 180 N -0.25 0.00 0.00 2.37 1.79 -1.24 -0.59 116.57 118.65 3khj h LYS 180 Ca -0.01 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 3khj h LYS 180 Cb 0.23 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.88 3khj h LYS 180 CO 0.01 0.03 -1.19 -1.13 -1.08 0.00 0.00 179.45 176.09 3khj n SER 181 N -3.79 0.59 -0.01 0.86 3.41 -0.90 -4.42 113.62 109.36 3khj n SER 181 Ca -0.03 0.06 0.06 0.00 -0.26 0.00 0.00 58.87 58.70 3khj n SER 181 Cb 0.12 0.86 -0.10 0.00 -0.26 0.00 0.00 64.21 64.84 3khj n SER 181 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3khj n LYS 182 N -2.30 0.79 -3.76 4.33 5.02 -0.87 -5.04 118.16 116.33 3khj n LYS 182 Ca 0.00 -0.10 -0.11 0.00 -2.02 0.00 0.00 58.31 56.08 3khj n LYS 182 Cb 0.51 -1.28 -0.07 0.00 -0.02 0.00 0.00 35.03 34.17 3khj n LYS 182 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3khj s MET 183 N -2.79 0.86 -0.45 1.97 0.23 -0.28 -5.08 119.30 113.75 3khj s MET 183 Ca -0.03 -0.65 -0.11 0.00 -1.03 0.00 0.00 55.69 53.86 3khj s MET 183 Cb 0.09 0.37 0.09 0.00 -1.53 0.00 0.00 34.83 33.84 3khj s MET 183 CO 0.54 -0.29 0.33 1.21 -2.03 0.00 0.00 175.02 174.78 3khj s ASN 184 N -2.39 5.82 -0.00 -1.18 3.04 -1.26 -4.42 114.94 114.55 3khj s ASN 184 Ca -0.01 -1.57 -0.28 0.00 0.04 0.00 0.00 52.86 51.03 3khj s ASN 184 Cb 0.01 -2.06 0.09 0.00 -1.54 0.00 0.00 41.25 37.75 3khj s ASN 184 CO -0.07 -0.63 0.75 -0.51 -3.04 0.00 0.00 177.10 173.60 3khj s ILE 185 N 1.48 0.00 0.04 -5.21 1.10 -1.26 -5.09 121.20 112.26 3khj s ILE 185 Ca 0.04 0.00 -0.29 0.00 -0.51 0.00 0.00 60.65 59.89 3khj s ILE 185 Cb -0.25 -1.00 -0.04 0.00 0.15 0.00 0.00 42.46 41.32 3khj s ILE 185 CO 0.03 0.00 0.93 -1.81 -2.11 0.00 0.00 174.94 171.98 3khj s ASP 186 N -1.82 7.37 -0.15 4.50 1.11 -1.26 -4.98 116.67 121.44 3khj s ASP 186 Ca -0.03 1.66 0.01 0.00 0.18 0.00 0.00 52.55 54.36 3khj s ASP 186 Cb -0.01 -2.56 -0.00 0.00 1.07 0.00 0.00 42.92 41.42 3khj s ASP 186 CO -0.01 -0.16 -0.16 -0.69 1.18 0.00 0.00 175.17 175.34 3khj s VAL 187 N 0.55 2.67 -0.20 -1.27 1.01 -1.26 -1.89 120.40 120.00 3khj s VAL 187 Ca 0.48 -0.78 -0.11 0.00 0.00 0.00 0.00 61.98 61.57 3khj s VAL 187 Cb -0.22 -2.12 -0.05 0.00 0.00 0.00 0.00 36.38 34.00 3khj s VAL 187 CO 0.28 0.52 0.19 -0.63 0.00 0.00 0.00 175.10 175.46 3khj s ILE 188 N 0.70 5.36 -0.07 2.22 1.01 -0.16 -0.87 121.20 129.38 3khj s ILE 188 Ca -0.07 0.30 0.04 0.00 0.00 0.00 0.00 60.65 60.92 3khj s ILE 188 Cb -0.16 -3.53 -0.02 0.00 0.01 0.00 0.00 42.46 38.76 3khj s ILE 188 CO 0.02 0.39 -0.18 -0.69 0.00 0.00 0.00 174.94 174.48 3khj s VAL 189 N 0.64 2.72 0.32 2.92 1.01 -0.34 0.67 120.40 128.34 3khj s VAL 189 Ca 0.11 -0.83 -0.18 0.00 0.00 0.00 0.00 61.98 61.07 3khj s VAL 189 Cb -0.12 -2.06 0.05 0.00 0.00 0.00 0.00 36.38 34.25 3khj s VAL 189 CO 0.02 0.57 0.83 -0.83 0.00 0.00 0.00 175.10 175.69 3khj s GLY 190 N -0.35 0.21 0.02 4.51 0.00 -0.77 -0.19 107.32 110.75 3khj s GLY 190 Ca 0.03 -0.55 0.00 0.00 0.00 0.00 0.00 44.72 44.20 3khj s GLY 190 CO 0.02 0.22 0.09 -1.31 0.00 0.00 0.00 173.10 172.12 3khj s ASN 191 N -3.10 5.69 0.22 1.64 -0.87 -0.40 -1.51 114.94 116.62 3khj s ASN 191 Ca 0.16 0.12 0.04 0.00 -1.57 0.00 0.00 52.86 51.61 3khj s ASN 191 Cb -0.05 -1.62 -0.05 0.00 -0.02 0.00 0.00 41.25 39.51 3khj s ASN 191 CO 0.09 0.25 -0.03 0.68 -2.57 0.00 0.00 177.10 175.52 3khj s VAL 192 N -1.25 1.13 0.00 1.60 -7.23 -0.75 -1.07 120.40 112.82 3khj s VAL 192 Ca 0.25 -2.05 0.00 0.00 -1.81 0.00 0.00 61.98 58.37 3khj s VAL 192 Cb -0.12 -2.27 0.00 0.00 0.56 0.00 0.00 36.38 34.55 3khj s VAL 192 CO 0.16 -0.39 0.00 1.33 -0.31 0.00 0.00 175.10 175.89 3khj n VAL 193 N -0.40 0.00 -3.94 1.32 0.24 -1.26 -2.53 118.33 111.75 3khj n VAL 193 Ca -0.06 -0.04 -0.24 0.00 -2.04 0.00 0.00 64.34 61.96 3khj n VAL 193 Cb 0.63 0.99 -0.06 0.00 -1.47 0.00 0.00 33.84 33.94 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 -0.09 2.39 0.03 3.34 -4.23 -1.26 -4.56 115.64 111.26 3khj s THR 194 Ca 0.00 -1.58 -0.19 0.00 -1.18 0.00 0.00 61.69 58.74 3khj s THR 194 Cb 0.00 -2.97 -0.18 0.00 1.34 0.00 0.00 72.50 70.69 3khj s THR 194 CO 0.00 0.00 1.22 -0.33 -0.54 0.00 0.00 174.62 174.97 3khj h GLU 195 N 1.27 0.43 -0.63 3.99 3.07 -1.96 -2.96 114.58 117.81 3khj h GLU 195 Ca -0.42 -0.34 -0.07 0.00 -0.50 0.00 0.00 59.36 58.03 3khj h GLU 195 Cb 1.26 0.07 -0.03 0.00 -0.84 0.00 0.00 28.75 29.21 3khj h GLU 195 CO 0.66 0.97 0.11 0.93 -1.40 0.00 0.00 179.01 180.27 3khj h GLU 196 N -0.00 1.01 0.04 2.33 5.08 -1.97 -1.53 114.58 119.54 3khj h GLU 196 Ca -0.02 -0.25 0.01 0.00 -1.00 0.00 0.00 59.36 58.09 3khj h GLU 196 Cb 1.03 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.14 3khj h GLU 196 CO 0.08 0.93 -0.08 0.00 -1.00 0.00 0.00 179.01 178.94 3khj h ALA 197 N 1.16 -0.12 -0.69 3.43 0.00 -1.99 -1.35 119.26 119.69 3khj h ALA 197 Ca 0.19 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 3khj h ALA 197 Cb 0.40 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 3khj h ALA 197 CO 0.01 -0.59 0.43 1.15 0.00 0.00 0.00 179.25 180.25 3khj h THR 198 N -0.16 1.19 -0.26 0.00 2.02 -1.34 -2.27 112.91 112.09 3khj h THR 198 Ca 0.02 -0.41 -0.02 0.00 0.77 0.00 0.00 66.41 66.77 3khj h THR 198 Cb 0.18 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 66.79 3khj h THR 198 CO -0.05 0.20 0.08 0.50 0.37 0.00 0.00 175.52 176.61 3khj h LYS 199 N 0.94 0.41 -0.13 6.66 3.64 -1.14 -2.40 116.57 124.55 3khj h LYS 199 Ca 0.25 -0.09 -0.10 0.00 -1.27 0.00 0.00 60.65 59.44 3khj h LYS 199 Cb -0.05 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 3khj h LYS 199 CO -0.05 0.48 -0.36 1.49 -2.27 0.00 0.00 179.45 178.74 3khj h GLU 200 N 0.26 0.26 -0.13 1.90 4.81 -1.12 -1.86 114.58 118.70 3khj h GLU 200 Ca 0.08 -0.11 -0.13 0.00 -0.13 0.00 0.00 59.36 59.07 3khj h GLU 200 Cb 0.24 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.62 3khj h GLU 200 CO -0.00 0.59 -0.43 -0.07 -0.73 0.00 0.00 179.01 178.37 3khj h LEU 201 N 0.23 0.60 -0.72 1.64 3.38 -1.37 -2.53 115.31 116.55 3khj h LEU 201 Ca 0.03 -0.61 0.02 0.00 0.09 0.00 0.00 57.88 57.41 3khj h LEU 201 Cb 0.74 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.28 3khj h LEU 201 CO 0.06 1.11 0.46 0.40 0.09 0.00 0.00 178.44 180.55 3khj h ILE 202 N 0.13 1.14 -0.17 1.22 2.04 -1.31 -1.44 117.51 119.12 3khj h ILE 202 Ca -0.02 -0.32 -0.06 0.00 1.00 0.00 0.00 64.86 65.46 3khj h ILE 202 Cb 1.06 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 37.26 3khj h ILE 202 CO 0.09 0.17 -0.17 -0.33 0.00 0.00 0.00 178.15 177.91 3khj h GLU 203 N 0.92 0.28 -0.29 2.37 5.08 -1.36 -2.56 114.58 119.02 3khj h GLU 203 Ca 0.27 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 3khj h GLU 203 Cb -0.05 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.17 3khj h GLU 203 CO -0.08 0.46 0.00 0.09 -1.00 0.00 0.00 179.01 178.47 3khj n ASN 204 N -4.22 1.66 0.00 1.42 3.02 -0.95 -4.90 115.26 111.30 3khj n ASN 204 Ca -0.01 -1.95 0.00 0.00 -0.03 0.00 0.00 54.58 52.59 3khj n ASN 204 Cb 0.31 -0.19 0.00 0.00 -0.61 0.00 0.00 39.78 39.28 3khj n ASN 204 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3khj n GLY 205 N 1.02 1.58 3.71 7.41 0.00 -0.96 -4.45 105.19 113.50 3khj n GLY 205 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.00 3.27 -0.79 4.61 0.00 -0.58 -4.77 121.76 121.50 3khj s ALA 206 Ca 0.00 0.69 0.24 0.00 0.00 0.00 0.00 51.96 52.89 3khj s ALA 206 Cb 0.00 -3.39 0.25 0.00 0.00 0.00 0.00 23.12 19.98 3khj s ALA 206 CO 0.00 -0.32 1.21 -0.25 0.00 0.00 0.00 175.76 176.40 3khj n ASP 207 N 3.86 0.62 -3.58 0.00 9.92 -0.05 -4.67 116.55 122.65 3khj n ASP 207 Ca 0.07 -0.23 -0.13 0.00 -0.53 0.00 0.00 54.79 53.98 3khj n ASP 207 Cb 0.49 0.49 -0.06 0.00 -0.64 0.00 0.00 41.12 41.40 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 -3.36 -0.35 -0.09 0.44 0.00 -1.06 -2.51 107.32 100.39 3khj s GLY 208 Ca 0.07 1.98 0.03 0.00 0.00 0.00 0.00 44.72 46.80 3khj s GLY 208 CO 0.75 1.25 -0.20 -0.26 0.00 0.00 0.00 173.10 174.65 3khj s ILE 209 N -0.70 2.49 -0.22 0.90 -0.00 -1.09 -1.20 121.20 121.39 3khj s ILE 209 Ca -0.03 -0.89 -0.10 0.00 -0.00 0.00 0.00 60.65 59.63 3khj s ILE 209 Cb -0.02 -1.97 -0.05 0.00 -0.00 0.00 0.00 42.46 40.42 3khj s ILE 209 CO 0.02 0.56 0.14 -0.75 -0.00 0.00 0.00 174.94 174.91 3khj s LYS 210 N 0.03 4.08 -0.15 0.37 2.20 0.73 -1.60 119.74 125.40 3khj s LYS 210 Ca -0.07 -0.27 -0.04 0.00 -0.36 0.00 0.00 55.97 55.23 3khj s LYS 210 Cb -0.15 -3.47 -0.03 0.00 -1.51 0.00 0.00 37.83 32.67 3khj s LYS 210 CO 0.05 0.13 -0.04 0.08 -0.36 0.00 0.00 175.35 175.22 3khj s VAL 211 N 0.83 3.91 0.00 4.02 1.01 0.22 -1.82 120.40 128.57 3khj s VAL 211 Ca 0.07 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 61.70 3khj s VAL 211 Cb -0.13 -2.71 0.00 0.00 0.00 0.00 0.00 36.38 33.54 3khj s VAL 211 CO 0.02 0.50 0.00 0.61 0.00 0.00 0.00 175.10 176.23 3khj n GLY 212 N 3.47 0.25 3.06 4.51 0.00 -1.05 -0.78 105.19 114.64 3khj n GLY 212 Ca -0.17 0.44 -0.32 0.00 0.00 0.00 0.00 46.02 45.96 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 2.38 0.00 -0.61 -1.09 -1.26 -4.76 121.20 115.86 3khj s ILE 213 Ca 0.00 -1.97 0.00 0.00 -2.23 0.00 0.00 60.65 56.45 3khj s ILE 213 Cb 0.00 -2.58 0.00 0.00 -1.58 0.00 0.00 42.46 38.30 3khj s ILE 213 CO 0.00 -0.35 0.00 0.61 -1.23 0.00 0.00 174.94 173.97 3khj n GLY 214 N 4.38 2.83 0.11 6.18 0.00 -1.26 -2.46 105.19 114.97 3khj n GLY 214 Ca -0.05 -0.89 0.13 0.00 0.00 0.00 0.00 46.02 45.21 3khj n GLY 214 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3khj n PRO 215 N 0.00 0.25 -1.48 1.61 -0.04 -1.26 -4.74 135.00 129.33 3khj n PRO 215 Ca 0.00 0.25 -0.49 0.00 -0.04 0.00 0.00 63.50 63.23 3khj n PRO 215 Cb 0.00 -1.82 -0.04 0.00 -0.04 0.00 0.00 33.50 31.61 3khj n PRO 215 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3khj n GLY 216 N 1.05 -0.95 0.22 0.55 0.00 -1.26 -3.14 105.19 101.67 3khj n GLY 216 Ca 0.05 0.43 -0.03 0.00 0.00 0.00 0.00 46.02 46.46 3khj n GLY 216 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3khj h SER 217 N 1.87 0.40 -1.80 1.61 0.87 -1.96 -2.89 113.55 111.64 3khj h SER 217 Ca -0.36 0.03 -0.77 0.00 -1.23 0.00 0.00 61.79 59.46 3khj h SER 217 Cb 1.40 -0.04 -0.19 0.00 -0.44 0.00 0.00 62.40 63.13 3khj h SER 217 CO 0.61 0.26 1.70 2.30 -0.53 0.00 0.00 176.83 181.18 3khj n ILE 218 N -4.87 5.17 -2.43 2.23 -5.35 -1.26 -5.02 119.36 107.83 3khj n ILE 218 Ca 0.06 -5.00 -0.40 0.00 -0.27 0.00 0.00 62.75 57.14 3khj n ILE 218 Cb 0.16 -2.06 -0.04 0.00 -1.74 0.00 0.00 39.64 35.96 3khj n ILE 218 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3khj n THR 220 N 0.87 0.00 -0.33 0.00 -2.24 -1.26 -4.91 114.28 106.40 3khj n THR 220 Ca 0.00 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3khj n THR 220 Cb 0.45 0.00 0.16 0.00 -2.10 0.00 0.00 70.33 68.85 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 0.00 1.20 0.00 4.28 2.02 -1.90 0.81 112.91 119.32 3khj h THR 221 Ca 0.00 -0.42 -0.09 0.00 0.77 0.00 0.00 66.41 66.67 3khj h THR 221 Cb 0.00 -0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 66.26 3khj h THR 221 CO 0.00 0.23 -0.41 -0.09 0.37 0.00 0.00 175.52 175.61 3khj h ARG 222 N 1.23 0.00 0.01 6.66 2.43 -1.85 -2.29 114.38 120.57 3khj h ARG 222 Ca 0.36 0.00 -0.41 0.00 -0.81 0.00 0.00 59.98 59.12 3khj h ARG 222 Cb -0.07 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.41 3khj h ARG 222 CO -0.09 0.41 -2.35 -0.89 -1.51 0.00 0.00 179.97 175.54 3khj n ILE 223 N -3.71 1.54 -0.03 1.20 5.41 -0.79 -3.13 119.36 119.84 3khj n ILE 223 Ca -0.01 -0.43 -0.16 0.00 1.00 0.00 0.00 62.75 63.15 3khj n ILE 223 Cb 0.49 -1.73 -0.09 0.00 -0.71 0.00 0.00 39.64 37.60 3khj n ILE 223 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 3khj h VAL 224 N -0.58 1.39 0.00 1.39 2.07 0.49 -3.37 116.25 117.63 3khj h VAL 224 Ca -0.61 -1.78 -0.13 0.00 0.82 0.00 0.00 66.70 65.01 3khj h VAL 224 Cb 1.71 2.24 -0.02 0.00 -1.52 0.00 0.00 31.29 33.70 3khj h VAL 224 CO -0.25 0.53 -2.02 0.00 0.02 0.00 0.00 177.57 175.84 3khj n ALA 225 N -2.53 2.26 -1.95 1.67 0.00 -0.94 -4.99 120.51 114.03 3khj n ALA 225 Ca -0.08 -0.75 -0.11 0.00 0.00 0.00 0.00 53.44 52.51 3khj n ALA 225 Cb 0.56 -0.46 -0.02 0.00 0.00 0.00 0.00 19.45 19.53 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 1.59 0.29 3.50 0.00 0.00 -0.90 -5.02 105.19 104.65 3khj n GLY 226 Ca -0.14 -0.47 -0.31 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.49 3.06 0.00 1.61 1.01 -1.17 -4.99 120.40 117.43 3khj s VAL 227 Ca 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 61.98 60.91 3khj s VAL 227 Cb 0.00 -2.31 0.00 0.00 0.00 0.00 0.00 36.38 34.07 3khj s VAL 227 CO 0.00 0.34 0.00 0.61 0.00 0.00 0.00 175.10 176.05 3khj n GLY 228 N 1.51 2.83 2.80 4.51 0.00 -1.26 -3.88 105.19 111.70 3khj n GLY 228 Ca -0.16 -1.06 -0.19 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 0.23 0.36 1.61 1.01 -1.03 -5.04 120.40 115.55 3khj s VAL 229 Ca 0.00 0.11 -0.27 0.00 0.00 0.00 0.00 61.98 61.83 3khj s VAL 229 Cb 0.00 -0.36 -0.12 0.00 0.00 0.00 0.00 36.38 35.90 3khj s VAL 229 CO 0.00 0.19 1.13 -2.65 0.00 0.00 0.00 175.10 173.76 3khj n PRO 230 N 4.54 1.66 -0.11 2.72 -0.02 -1.26 -4.61 135.00 137.91 3khj n PRO 230 Ca -0.18 0.59 -0.05 0.00 -2.02 0.00 0.00 63.50 61.83 3khj n PRO 230 Cb 0.50 -2.11 0.01 0.00 -0.02 0.00 0.00 33.50 31.88 3khj n PRO 230 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 3khj h GLN 231 N 2.04 0.02 -0.21 -0.52 1.08 -1.94 -0.25 115.11 115.34 3khj h GLN 231 Ca -0.44 -0.00 0.04 0.00 -1.45 0.00 0.00 58.65 56.80 3khj h GLN 231 Cb 1.32 -0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 28.71 3khj h GLN 231 CO 0.60 0.02 -0.02 0.82 -0.95 0.00 0.00 178.83 179.29 3khj h ILE 232 N 0.02 0.83 -0.48 2.54 1.08 -1.70 0.11 117.51 119.92 3khj h ILE 232 Ca 0.19 -0.01 -0.01 0.00 -0.39 0.00 0.00 64.86 64.63 3khj h ILE 232 Cb 0.28 0.79 -0.02 0.00 -3.07 0.00 0.00 36.82 34.79 3khj h ILE 232 CO -0.38 0.01 0.24 0.74 -0.69 0.00 0.00 178.15 178.07 3khj h THR 233 N 0.04 1.18 -0.90 -0.27 2.02 -1.17 -1.64 112.91 112.18 3khj h THR 233 Ca 0.10 -0.49 0.01 0.00 0.77 0.00 0.00 66.41 66.80 3khj h THR 233 Cb 0.14 0.63 -0.04 0.00 -1.74 0.00 0.00 68.15 67.13 3khj h THR 233 CO -0.19 0.20 0.59 0.00 0.37 0.00 0.00 175.52 176.49 3khj h ALA 234 N 1.09 1.14 -0.27 6.16 0.00 -0.44 -0.29 119.26 126.64 3khj h ALA 234 Ca 0.17 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 3khj h ALA 234 Cb 0.09 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3khj h ALA 234 CO -0.02 0.53 -0.09 0.82 0.00 0.00 0.00 179.25 180.49 3khj h ILE 235 N 1.21 1.29 -0.31 0.00 2.04 -0.69 -2.66 117.51 118.39 3khj h ILE 235 Ca 0.33 -1.13 0.05 0.00 1.00 0.00 0.00 64.86 65.11 3khj h ILE 235 Cb -0.13 1.46 -0.05 0.00 -0.74 0.00 0.00 36.82 37.36 3khj h ILE 235 CO -0.07 0.36 0.02 -0.33 0.00 0.00 0.00 178.15 178.12 3khj h GLU 236 N 0.29 0.11 -0.25 2.37 5.08 -0.77 0.88 114.58 122.30 3khj h GLU 236 Ca 0.07 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 3khj h GLU 236 Cb 0.58 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 3khj h GLU 236 CO 0.03 0.07 0.12 0.87 -1.00 0.00 0.00 179.01 179.10 3khj h LYS 237 N 0.11 0.36 -0.02 2.33 1.57 -1.09 -2.92 116.57 116.91 3khj h LYS 237 Ca 0.15 -0.05 -0.13 0.00 -1.87 0.00 0.00 60.65 58.74 3khj h LYS 237 Cb 0.19 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 3khj h LYS 237 CO -0.23 0.36 -0.60 0.00 -0.57 0.00 0.00 179.45 178.41 3khj h SER 239 N 0.04 0.45 0.44 0.00 0.02 -0.75 -1.62 113.55 112.13 3khj h SER 239 Ca -0.01 -0.17 -0.00 0.00 -0.84 0.00 0.00 61.79 60.77 3khj h SER 239 Cb 1.07 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 63.48 3khj h SER 239 CO 0.08 0.76 -0.00 0.77 -1.14 0.00 0.00 176.83 177.30 3khj h SER 240 N 0.37 0.00 0.00 3.07 4.64 -1.49 -2.08 113.55 118.06 3khj h SER 240 Ca 0.04 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.04 3khj h SER 240 Cb 0.77 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.82 3khj h SER 240 CO 0.06 0.00 -1.86 0.52 -0.87 0.00 0.00 176.83 174.68 3khj n VAL 241 N -3.10 1.52 -0.06 0.95 0.31 -1.09 -4.57 118.33 112.29 3khj n VAL 241 Ca -0.01 -0.18 -0.03 0.00 -0.01 0.00 0.00 64.34 64.10 3khj n VAL 241 Cb 0.17 -2.00 0.21 0.00 -0.91 0.00 0.00 33.84 31.31 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 -0.82 1.18 0.00 3.52 0.00 -1.19 -3.01 119.26 118.95 3khj h ALA 242 Ca -0.49 -0.26 -0.09 0.00 0.00 0.00 0.00 54.91 54.07 3khj h ALA 242 Cb 1.40 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 3khj h ALA 242 CO -0.30 0.53 -0.44 0.66 0.00 0.00 0.00 179.25 179.70 3khj h SER 243 N 0.63 0.00 0.39 0.00 4.64 -1.57 0.35 113.55 117.98 3khj h SER 243 Ca 0.12 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.42 3khj h SER 243 Cb 0.44 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.53 3khj h SER 243 CO 0.02 0.44 -0.10 0.11 -0.87 0.00 0.00 176.83 176.43 3khj h LYS 244 N 0.00 0.00 -0.01 4.77 1.57 -1.76 -2.48 116.57 118.67 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 0.89 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.20 3khj h LYS 244 CO 0.06 0.10 -0.55 1.19 -0.57 0.00 0.00 179.45 179.68 3khj n PHE 245 N -3.55 0.00 -2.04 -1.35 3.72 -0.82 -4.98 117.46 108.43 3khj n PHE 245 Ca -0.02 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.27 3khj n PHE 245 Cb 0.23 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.75 3khj n PHE 245 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3khj n GLY 246 N 1.32 0.18 3.66 1.37 0.00 -0.39 -5.01 105.19 106.31 3khj n GLY 246 Ca 0.06 -0.41 -0.38 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.55 5.18 0.58 -0.61 -1.09 -0.03 -4.87 121.20 117.81 3khj s ILE 247 Ca 0.00 0.73 -0.20 0.00 -2.23 0.00 0.00 60.65 58.95 3khj s ILE 247 Cb 0.00 -3.74 -0.04 0.00 -1.58 0.00 0.00 42.46 37.10 3khj s ILE 247 CO 0.00 0.22 1.32 -2.84 -1.23 0.00 0.00 174.94 172.41 3khj s PRO 248 N 1.49 2.96 -0.12 2.79 0.02 -1.26 -4.35 135.00 136.53 3khj s PRO 248 Ca 0.19 2.13 0.01 0.00 0.02 0.00 0.00 61.00 63.35 3khj s PRO 248 Cb -0.15 -2.10 -0.02 0.00 0.02 0.00 0.00 34.50 32.25 3khj s PRO 248 CO 0.08 -1.30 -0.13 0.42 -0.33 0.00 0.00 177.00 175.74 3khj s ILE 249 N -1.37 3.05 -0.30 2.83 1.01 -1.26 -2.66 121.20 122.51 3khj s ILE 249 Ca 0.75 -0.67 -0.11 0.00 0.00 0.00 0.00 60.65 60.62 3khj s ILE 249 Cb -0.38 -2.26 -0.03 0.00 0.01 0.00 0.00 42.46 39.79 3khj s ILE 249 CO 0.43 0.54 0.19 -0.63 0.00 0.00 0.00 174.94 175.47 3khj s ILE 250 N 0.15 5.11 -0.40 2.92 1.09 -0.63 -0.25 121.20 129.19 3khj s ILE 250 Ca -0.07 -0.04 -0.26 0.00 -1.10 0.00 0.00 60.65 59.18 3khj s ILE 250 Cb -0.15 -3.50 0.02 0.00 -1.06 0.00 0.00 42.46 37.77 3khj s ILE 250 CO 0.05 0.17 0.95 0.00 -0.10 0.00 0.00 174.94 176.01 3khj s ALA 251 N 1.72 3.34 -0.22 9.38 0.00 -0.54 -0.61 121.76 134.83 3khj s ALA 251 Ca 0.06 -0.53 -0.04 0.00 0.00 0.00 0.00 51.96 51.45 3khj s ALA 251 Cb -0.16 -3.61 -0.01 0.00 0.00 0.00 0.00 23.12 19.34 3khj s ALA 251 CO 0.09 -1.79 -0.03 0.34 0.00 0.00 0.00 175.76 174.37 3khj s ASP 252 N 2.04 4.41 0.00 0.00 2.15 0.04 -0.72 116.67 124.58 3khj s ASP 252 Ca 0.39 -0.36 0.00 0.00 0.43 0.00 0.00 52.55 53.02 3khj s ASP 252 Cb -0.11 -1.76 0.00 0.00 -0.30 0.00 0.00 42.92 40.75 3khj s ASP 252 CO 0.22 -0.01 0.00 0.61 -0.17 0.00 0.00 175.17 175.82 3khj n GLY 253 N 4.71 -1.08 1.13 2.66 0.00 -1.21 -4.36 105.19 107.04 3khj n GLY 253 Ca -0.18 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.33 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 -0.47 1.02 3.66 -0.02 0.00 -1.19 -4.77 105.19 103.42 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 -2.47 4.11 -0.13 -0.61 -1.09 -1.26 -4.86 121.20 114.88 3khj s ILE 255 Ca 0.00 1.34 0.02 0.00 -2.23 0.00 0.00 60.65 59.78 3khj s ILE 255 Cb 0.00 -3.86 -0.10 0.00 -1.58 0.00 0.00 42.46 36.92 3khj s ILE 255 CO 0.00 -0.12 -0.09 0.54 -1.23 0.00 0.00 174.94 174.04 3khj n ARG 256 N 6.74 0.66 -4.37 2.79 1.74 -1.26 -4.75 116.66 118.21 3khj n ARG 256 Ca 0.15 0.06 -0.19 0.00 -0.77 0.00 0.00 57.85 57.11 3khj n ARG 256 Cb 0.44 -1.27 -0.10 0.00 -1.02 0.00 0.00 32.46 30.51 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 -2.27 1.70 0.62 -1.55 1.51 -1.26 -4.98 117.35 111.12 3khj s TYR 257 Ca -0.16 -0.85 0.34 0.00 -1.01 0.00 0.00 57.07 55.39 3khj s TYR 257 Cb 0.04 -0.99 2.00 0.00 -0.11 0.00 0.00 41.96 42.90 3khj s TYR 257 CO 0.33 0.07 2.27 0.66 -1.11 0.00 0.00 175.55 177.77 3khj h SER 258 N 2.40 0.00 0.22 2.29 4.64 -1.91 -1.84 113.55 119.35 3khj h SER 258 Ca -0.39 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.83 3khj h SER 258 Cb 1.23 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.30 3khj h SER 258 CO 0.66 0.00 -0.37 1.23 -0.87 0.00 0.00 176.83 177.47 3khj h GLY 259 N 0.00 0.24 1.92 -0.77 0.00 -1.93 -3.06 103.07 99.47 3khj h GLY 259 Ca 0.01 -0.22 -0.07 0.00 0.00 0.00 0.00 47.33 47.06 3khj h GLY 259 CO -0.00 0.20 -0.28 -0.55 0.00 0.00 0.00 176.54 175.91 3khj h ASP 260 N 0.19 0.09 -0.56 0.19 3.32 -1.73 -2.51 116.42 115.42 3khj h ASP 260 Ca 0.02 -0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.00 3khj h ASP 260 Cb 0.75 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 40.25 3khj h ASP 260 CO 0.06 0.38 0.19 0.40 -1.72 0.00 0.00 179.24 178.54 3khj h ILE 261 N 0.09 1.23 -0.59 0.35 2.04 -1.63 -1.57 117.51 117.43 3khj h ILE 261 Ca 0.01 -0.77 -0.08 0.00 1.00 0.00 0.00 64.86 65.03 3khj h ILE 261 Cb 0.54 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 3khj h ILE 261 CO 0.04 0.29 0.08 1.23 0.00 0.00 0.00 178.15 179.79 3khj h GLY 262 N 0.78 1.07 0.86 5.37 0.00 -1.54 -1.81 103.07 107.81 3khj h GLY 262 Ca 0.18 -0.73 -0.03 0.00 0.00 0.00 0.00 47.33 46.76 3khj h GLY 262 CO -0.01 0.68 0.05 0.50 0.00 0.00 0.00 176.54 177.76 3khj h LYS 263 N 0.89 0.39 -0.52 4.80 1.57 -1.36 0.12 116.57 122.46 3khj h LYS 263 Ca 0.18 -0.10 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 3khj h LYS 263 Cb 0.45 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.69 3khj h LYS 263 CO 0.02 0.51 0.31 0.00 -0.57 0.00 0.00 179.45 179.71 3khj h ALA 264 N 0.86 0.66 -0.12 3.86 0.00 -1.22 -1.47 119.26 121.84 3khj h ALA 264 Ca 0.07 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3khj h ALA 264 Cb 0.30 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 3khj h ALA 264 CO 0.00 0.15 -0.03 -0.07 0.00 0.00 0.00 179.25 179.30 3khj h LEU 265 N 0.69 0.23 -2.53 0.00 3.38 -1.31 -2.36 115.31 113.42 3khj h LEU 265 Ca 0.18 -0.37 0.01 0.00 0.09 0.00 0.00 57.88 57.79 3khj h LEU 265 Cb 0.00 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 3khj h LEU 265 CO -0.03 0.55 0.04 0.00 0.09 0.00 0.00 178.44 179.08 3khj h ALA 266 N 0.69 1.46 0.00 1.53 0.00 -0.58 -1.96 119.26 120.40 3khj h ALA 266 Ca 0.03 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3khj h ALA 266 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3khj h ALA 266 CO 0.01 -0.05 -0.81 0.28 0.00 0.00 0.00 179.25 178.68 3khj n VAL 267 N -3.67 0.31 0.00 0.00 0.31 -0.57 -4.60 118.33 110.11 3khj n VAL 267 Ca -0.02 -0.29 0.00 0.00 -0.01 0.00 0.00 64.34 64.02 3khj n VAL 267 Cb 0.12 -0.03 0.00 0.00 -0.91 0.00 0.00 33.84 33.02 3khj n VAL 267 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3khj n GLY 268 N 1.33 0.35 3.80 2.92 0.00 -0.74 -4.41 105.19 108.44 3khj n GLY 268 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 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 2.78 -0.15 4.61 0.00 -0.90 -4.66 121.76 123.44 3khj s ALA 269 Ca 0.00 0.50 0.15 0.00 0.00 0.00 0.00 51.96 52.61 3khj s ALA 269 Cb 0.00 -3.25 -0.24 0.00 0.00 0.00 0.00 23.12 19.63 3khj s ALA 269 CO 0.00 -0.64 0.25 0.43 0.00 0.00 0.00 175.76 175.79 3khj n SER 270 N -1.62 0.41 -4.11 0.00 7.64 0.65 -4.49 113.62 112.10 3khj n SER 270 Ca 0.09 0.13 -0.11 0.00 1.01 0.00 0.00 58.87 59.99 3khj n SER 270 Cb 0.53 0.56 -0.08 0.00 -1.01 0.00 0.00 64.21 64.20 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 -5.76 0.06 -0.05 6.43 1.04 -0.96 -4.66 113.70 109.80 3khj s SER 271 Ca -0.10 -1.19 0.02 0.00 0.48 0.00 0.00 55.95 55.16 3khj s SER 271 Cb 0.07 0.45 0.01 0.00 0.10 0.00 0.00 66.02 66.66 3khj s SER 271 CO 0.82 -0.95 -0.08 -0.69 0.98 0.00 0.00 173.24 173.32 3khj s VAL 272 N -4.09 0.80 -0.19 5.02 1.01 0.19 -1.46 120.40 121.68 3khj s VAL 272 Ca 0.31 -0.30 -0.10 0.00 0.00 0.00 0.00 61.98 61.89 3khj s VAL 272 Cb 0.04 -0.75 -0.05 0.00 0.00 0.00 0.00 36.38 35.62 3khj s VAL 272 CO 0.10 0.27 0.14 -0.32 0.00 0.00 0.00 175.10 175.29 3khj s MET 273 N 0.63 4.09 -0.04 2.72 1.75 0.10 -0.60 119.30 127.96 3khj s MET 273 Ca -0.10 -0.19 0.04 0.00 -1.25 0.00 0.00 55.69 54.18 3khj s MET 273 Cb -0.13 -3.39 -0.00 0.00 2.84 0.00 0.00 34.83 34.14 3khj s MET 273 CO 0.02 0.36 -0.16 0.96 -0.65 0.00 0.00 175.02 175.55 3khj s ILE 274 N 0.18 1.32 0.00 10.11 -4.36 0.54 -3.36 121.20 125.63 3khj s ILE 274 Ca 0.09 -0.67 -0.01 0.00 -0.26 0.00 0.00 60.65 59.81 3khj s ILE 274 Cb -0.11 -1.14 -0.00 0.00 1.25 0.00 0.00 42.46 42.46 3khj s ILE 274 CO -0.01 0.38 -0.01 0.61 0.24 0.00 0.00 174.94 176.15 3khj n GLY 275 N 3.09 -0.06 0.32 6.27 0.00 -1.26 -1.25 105.19 112.30 3khj n GLY 275 Ca -0.18 -0.01 -0.03 0.00 0.00 0.00 0.00 46.02 45.81 3khj n GLY 275 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3khj h SER 276 N -0.03 0.85 -0.71 1.61 4.64 -1.91 0.72 113.55 118.72 3khj h SER 276 Ca 0.00 -0.12 0.11 0.00 -0.47 0.00 0.00 61.79 61.31 3khj h SER 276 Cb 0.03 -0.22 -0.05 0.00 -0.31 0.00 0.00 62.40 61.85 3khj h SER 276 CO 0.00 0.77 0.47 0.40 -0.87 0.00 0.00 176.83 177.60 3khj h ILE 277 N 0.91 0.90 0.00 0.95 5.03 -1.89 -2.35 117.51 121.07 3khj h ILE 277 Ca 0.21 -0.19 0.00 0.00 -0.12 0.00 0.00 64.86 64.77 3khj h ILE 277 Cb 0.19 0.30 0.00 0.00 -3.03 0.00 0.00 36.82 34.29 3khj h ILE 277 CO -0.02 0.10 -1.59 0.18 -0.68 0.00 0.00 178.15 176.14 3khj n LEU 278 N -4.49 0.33 -4.68 1.44 4.77 -0.79 -4.84 117.00 108.75 3khj n LEU 278 Ca 0.12 0.06 -0.42 0.00 -0.03 0.00 0.00 56.01 55.74 3khj n LEU 278 Cb 0.38 -0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.42 3khj n LEU 278 CO 0.33 -0.03 1.41 0.00 -1.33 0.00 0.00 177.39 177.77 3khj s ALA 279 N -3.42 3.66 0.00 -1.18 0.00 0.18 -2.31 121.76 118.69 3khj s ALA 279 Ca -0.04 1.22 0.00 0.00 0.00 0.00 0.00 51.96 53.14 3khj s ALA 279 Cb 0.13 -3.74 0.00 0.00 0.00 0.00 0.00 23.12 19.50 3khj s ALA 279 CO 0.87 -1.27 0.00 0.41 0.00 0.00 0.00 175.76 175.77 3khj n GLY 280 N 4.16 0.76 3.76 0.00 0.00 -1.26 -4.82 105.19 107.78 3khj n GLY 280 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.12 3.18 0.35 2.61 -4.23 -0.98 -0.98 115.64 113.47 3khj s THR 281 Ca 0.00 0.42 0.11 0.00 -1.18 0.00 0.00 61.69 61.04 3khj s THR 281 Cb 0.00 -2.87 0.34 0.00 1.34 0.00 0.00 72.50 71.31 3khj s THR 281 CO 0.00 -0.47 1.80 -0.08 -0.54 0.00 0.00 174.62 175.33 3khj h GLU 282 N -0.96 0.58 0.00 3.99 4.57 -0.65 -1.62 114.58 120.49 3khj h GLU 282 Ca -0.44 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 57.70 3khj h GLU 282 Cb 1.24 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 29.70 3khj h GLU 282 CO 0.51 0.39 0.00 0.39 -1.18 0.00 0.00 179.01 179.12 3khj n GLU 283 N -4.66 0.12 -2.25 1.92 4.71 -1.26 -4.85 120.64 114.36 3khj n GLU 283 Ca 0.22 0.11 -0.34 0.00 -0.01 0.00 0.00 57.16 57.14 3khj n GLU 283 Cb 0.66 -1.64 -0.00 0.00 -1.01 0.00 0.00 31.44 29.44 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 -3.70 5.80 -1.44 1.62 1.04 -0.61 -3.05 113.70 113.36 3khj s SER 284 Ca 0.12 2.07 -0.15 0.00 0.48 0.00 0.00 55.95 58.48 3khj s SER 284 Cb 0.16 -2.57 0.04 0.00 0.10 0.00 0.00 66.02 63.75 3khj s SER 284 CO 0.55 -1.16 2.17 -0.81 0.98 0.00 0.00 173.24 174.97 3khj n PRO 285 N -1.41 2.89 -4.08 4.02 -0.05 -1.26 -4.85 135.00 130.26 3khj n PRO 285 Ca 0.11 -2.68 -0.18 0.00 -0.05 0.00 0.00 63.50 60.69 3khj n PRO 285 Cb 0.52 -3.32 -0.07 0.00 -0.05 0.00 0.00 33.50 30.58 3khj n PRO 285 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 3khj n GLY 286 N 4.26 2.82 3.29 0.55 0.00 -1.26 -4.76 105.19 110.10 3khj n GLY 286 Ca 0.52 -1.83 -0.29 0.00 0.00 0.00 0.00 46.02 44.41 3khj n GLY 286 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3khj s GLU 287 N -3.20 1.76 0.48 1.61 2.02 -1.03 -4.96 118.70 115.38 3khj s GLU 287 Ca 0.36 -0.97 -0.22 0.00 0.02 0.00 0.00 54.97 54.16 3khj s GLU 287 Cb 0.01 -1.82 -0.07 0.00 0.10 0.00 0.00 34.13 32.35 3khj s GLU 287 CO 0.26 0.48 1.18 0.15 0.02 0.00 0.00 175.26 177.35 3khj s LYS 288 N -0.95 3.62 0.03 1.61 1.02 -1.26 -1.70 119.74 122.11 3khj s LYS 288 Ca 0.10 1.80 -0.08 0.00 0.02 0.00 0.00 55.97 57.81 3khj s LYS 288 Cb -0.09 -2.32 -0.00 0.00 -0.52 0.00 0.00 37.83 34.89 3khj s LYS 288 CO 0.01 -0.68 0.16 -2.00 -0.92 0.00 0.00 175.35 171.92 3khj s GLU 289 N -2.82 0.62 -0.18 1.68 2.12 0.15 -4.87 118.70 115.40 3khj s GLU 289 Ca 0.66 -0.60 0.01 0.00 0.36 0.00 0.00 54.97 55.40 3khj s GLU 289 Cb -0.29 0.25 0.02 0.00 0.26 0.00 0.00 34.13 34.37 3khj s GLU 289 CO 0.35 -0.17 -0.19 -1.17 -0.54 0.00 0.00 175.26 173.54 3khj s LEU 290 N -1.92 2.16 -0.32 2.70 2.96 -1.26 0.01 118.68 123.01 3khj s LEU 290 Ca -0.07 -0.68 0.02 0.00 -0.22 0.00 0.00 54.13 53.17 3khj s LEU 290 Cb -0.03 -1.46 0.10 0.00 0.50 0.00 0.00 46.19 45.30 3khj s LEU 290 CO -0.03 -0.02 0.06 -0.63 -1.32 0.00 0.00 176.35 174.42 3khj s ILE 291 N 1.30 1.61 0.00 6.68 1.09 -0.83 -5.00 121.20 126.04 3khj s ILE 291 Ca 0.04 -1.85 0.00 0.00 -1.10 0.00 0.00 60.65 57.74 3khj s ILE 291 Cb -0.13 -2.18 0.00 0.00 -1.06 0.00 0.00 42.46 39.09 3khj s ILE 291 CO -0.12 -0.60 0.00 0.61 -0.10 0.00 0.00 174.94 174.73 3khj n GLY 292 N 4.54 2.85 0.24 6.18 0.00 -1.26 -2.65 105.19 115.09 3khj n GLY 292 Ca 0.00 -0.23 -0.06 0.00 0.00 0.00 0.00 46.02 45.73 3khj n GLY 292 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3khj h ASP 293 N 0.00 0.61 -3.19 1.61 3.32 -2.03 -3.46 116.42 113.28 3khj h ASP 293 Ca 0.00 -0.24 -0.58 0.00 0.02 0.00 0.00 57.03 56.23 3khj h ASP 293 Cb 0.00 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 39.34 3khj h ASP 293 CO 0.00 0.90 -0.16 -0.89 -1.72 0.00 0.00 179.24 177.37 3khj s THR 294 N -4.39 4.97 -0.12 0.35 2.01 -1.08 -5.08 115.64 112.29 3khj s THR 294 Ca -0.08 0.70 -0.13 0.00 0.31 0.00 0.00 61.69 62.48 3khj s THR 294 Cb 0.13 -3.70 -0.05 0.00 0.01 0.00 0.00 72.50 68.89 3khj s THR 294 CO 0.82 0.32 0.31 -0.69 -0.69 0.00 0.00 174.62 174.68 3khj s VAL 295 N -1.38 5.27 0.39 3.82 1.01 -1.26 -1.97 120.40 126.28 3khj s VAL 295 Ca 0.34 0.59 0.07 0.00 0.00 0.00 0.00 61.98 62.98 3khj s VAL 295 Cb -0.15 -3.63 -0.08 0.00 0.00 0.00 0.00 36.38 32.52 3khj s VAL 295 CO 0.18 0.45 0.00 -0.31 0.00 0.00 0.00 175.10 175.42 3khj s TYR 296 N 0.00 2.43 -0.21 5.22 1.51 0.10 -1.39 117.35 125.01 3khj s TYR 296 Ca 0.18 -0.69 -0.00 0.00 -1.01 0.00 0.00 57.07 55.55 3khj s TYR 296 Cb -0.14 -1.67 0.06 0.00 -0.11 0.00 0.00 41.96 40.10 3khj s TYR 296 CO 0.06 0.41 -0.03 0.21 -1.11 0.00 0.00 175.55 175.09 3khj s LYS 297 N -3.72 1.33 0.37 -0.62 2.20 -0.35 0.34 119.74 119.29 3khj s LYS 297 Ca 0.35 -0.76 0.02 0.00 -0.36 0.00 0.00 55.97 55.22 3khj s LYS 297 Cb 0.09 -2.37 -0.02 0.00 -1.51 0.00 0.00 37.83 34.02 3khj s LYS 297 CO 0.17 -0.59 0.55 1.52 -0.36 0.00 0.00 175.35 176.65 3khj s TYR 298 N 1.56 3.30 0.13 4.03 -0.85 -0.69 -3.29 117.35 121.54 3khj s TYR 298 Ca -0.04 0.12 0.00 0.00 -0.52 0.00 0.00 57.07 56.64 3khj s TYR 298 Cb -0.18 -2.03 0.00 0.00 0.38 0.00 0.00 41.96 40.13 3khj s TYR 298 CO -0.07 -0.05 0.00 0.66 -1.52 0.00 0.00 175.55 174.57 3khj n TYR 299 N -1.81 -0.76 -0.17 -3.49 4.01 -1.26 -2.46 117.16 111.21 3khj n TYR 299 Ca -0.02 0.13 0.00 0.00 -0.16 0.00 0.00 57.90 57.85 3khj n TYR 299 Cb 0.57 0.23 0.00 0.00 -0.31 0.00 0.00 39.34 39.83 3khj n TYR 299 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3khj n GLY 333 N 2.63 -2.40 3.57 2.72 0.00 -1.26 -5.11 105.19 105.34 3khj n GLY 333 Ca 0.00 -0.98 -0.12 0.00 0.00 0.00 0.00 46.02 44.93 3khj n GLY 333 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3khj s ARG 334 N -3.68 0.73 0.05 1.61 3.52 -1.26 -4.98 118.95 114.95 3khj s ARG 334 Ca 0.00 0.99 -0.11 0.00 -0.13 0.00 0.00 55.73 56.49 3khj s ARG 334 Cb 0.00 0.28 0.01 0.00 -1.56 0.00 0.00 34.95 33.68 3khj s ARG 334 CO 0.00 -0.11 0.24 0.54 -0.81 0.00 0.00 175.30 175.15 3khj s VAL 335 N 0.78 0.11 0.32 7.11 0.11 -1.21 -4.99 120.40 122.62 3khj s VAL 335 Ca -0.03 -0.87 -0.29 0.00 -2.93 0.00 0.00 61.98 57.86 3khj s VAL 335 Cb -0.05 -1.01 -0.10 0.00 -1.53 0.00 0.00 36.38 33.68 3khj s VAL 335 CO -0.06 -0.48 1.34 -0.75 -3.33 0.00 0.00 175.10 171.82 3khj s LYS 336 N -2.86 4.33 0.23 1.54 2.20 -1.26 -1.21 119.74 122.70 3khj s LYS 336 Ca -0.03 2.25 -0.30 0.00 -0.36 0.00 0.00 55.97 57.53 3khj s LYS 336 Cb 0.00 -3.07 -0.10 0.00 -1.51 0.00 0.00 37.83 33.15 3khj s LYS 336 CO -0.05 -0.24 1.49 -0.47 -0.36 0.00 0.00 175.35 175.71 3khj s TYR 337 N -0.98 3.01 -0.53 4.03 5.04 -0.49 -4.55 117.35 122.88 3khj s TYR 337 Ca 0.51 0.90 0.10 0.00 -2.44 0.00 0.00 57.07 56.14 3khj s TYR 337 Cb -0.40 -3.87 -0.11 0.00 0.35 0.00 0.00 41.96 37.93 3khj s TYR 337 CO 0.52 -2.94 0.46 1.63 -1.34 0.00 0.00 175.55 173.88 3khj n LYS 338 N 2.80 3.43 0.00 4.97 5.02 -0.15 -4.96 118.16 129.25 3khj n LYS 338 Ca 0.09 -0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 3khj n LYS 338 Cb 0.40 -1.00 0.00 0.00 -0.02 0.00 0.00 35.03 34.40 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 1.22 -1.02 3.77 0.72 0.00 -1.26 -4.90 105.19 103.72 3khj n GLY 339 Ca 0.02 -1.58 -0.40 0.00 0.00 0.00 0.00 46.02 44.07 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 3.75 0.35 1.61 8.01 -1.26 0.11 118.70 131.27 3khj s GLU 340 Ca 0.00 2.39 0.18 0.00 0.01 0.00 0.00 54.97 57.55 3khj s GLU 340 Cb 0.00 -2.69 0.55 0.00 -4.31 0.00 0.00 34.13 27.68 3khj s GLU 340 CO 0.00 -0.76 1.67 0.00 0.01 0.00 0.00 175.26 176.19 3khj h MET 341 N 2.41 0.00 -0.75 1.61 -0.00 -1.93 -3.29 114.93 112.98 3khj h MET 341 Ca -0.51 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.19 3khj h MET 341 Cb 1.26 0.00 -0.04 0.00 -0.00 0.00 0.00 31.60 32.82 3khj h MET 341 CO 0.61 0.42 0.47 1.49 -0.00 0.00 0.00 176.91 179.90 3khj h GLU 342 N 0.00 1.00 -0.55 -0.10 4.81 -1.98 0.78 114.58 118.55 3khj h GLU 342 Ca -0.00 -0.08 -0.06 0.00 -0.13 0.00 0.00 59.36 59.09 3khj h GLU 342 Cb 1.00 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 30.14 3khj h GLU 342 CO 0.05 0.69 0.09 0.78 -0.73 0.00 0.00 179.01 179.89 3khj h GLY 343 N 1.02 0.94 0.84 1.92 0.00 -1.98 0.23 103.07 106.04 3khj h GLY 343 Ca 0.27 -0.58 -0.06 0.00 0.00 0.00 0.00 47.33 46.96 3khj h GLY 343 CO -0.05 0.54 -0.07 -2.08 0.00 0.00 0.00 176.54 174.88 3khj h VAL 344 N 0.83 1.29 -0.38 4.60 2.07 -1.45 -2.89 116.25 120.31 3khj h VAL 344 Ca 0.17 -1.09 -0.14 0.00 0.82 0.00 0.00 66.70 66.47 3khj h VAL 344 Cb 0.37 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 3khj h VAL 344 CO 0.01 0.34 -0.32 0.58 0.02 0.00 0.00 177.57 178.20 3khj h VAL 345 N 0.21 1.28 -0.71 2.57 2.07 -0.78 -2.93 116.25 117.96 3khj h VAL 345 Ca 0.06 -1.48 0.06 0.00 0.82 0.00 0.00 66.70 66.17 3khj h VAL 345 Cb 0.54 1.32 -0.06 0.00 -1.52 0.00 0.00 31.29 31.57 3khj h VAL 345 CO 0.03 0.49 0.40 0.22 0.02 0.00 0.00 177.57 178.73 3khj h TYR 346 N 0.71 0.73 -0.56 1.57 3.20 -0.96 -0.53 116.97 121.14 3khj h TYR 346 Ca 0.08 0.03 -0.11 0.00 3.14 0.00 0.00 58.73 61.86 3khj h TYR 346 Cb 0.87 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.90 3khj h TYR 346 CO 0.05 0.34 -0.09 0.37 -1.64 0.00 0.00 178.16 177.19 3khj h GLN 347 N 0.72 1.05 -0.56 1.82 -0.00 -1.46 -0.24 115.11 116.43 3khj h GLN 347 Ca 0.32 -0.38 -0.05 0.00 -0.00 0.00 0.00 58.65 58.54 3khj h GLN 347 Cb 0.21 -0.07 -0.02 0.00 0.00 0.00 0.00 27.48 27.60 3khj h GLN 347 CO -0.19 1.08 0.17 -0.07 0.00 0.00 0.00 178.83 179.82 3khj h LEU 348 N 0.93 0.82 0.04 -2.39 3.38 -1.27 -0.61 115.31 116.22 3khj h LEU 348 Ca 0.15 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 3khj h LEU 348 Cb 0.66 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.20 3khj h LEU 348 CO 0.05 0.81 -0.02 0.58 0.09 0.00 0.00 178.44 179.95 3khj h VAL 349 N 0.79 1.10 -0.44 1.22 2.07 -0.97 -2.15 116.25 117.87 3khj h VAL 349 Ca 0.18 -0.45 0.08 0.00 0.82 0.00 0.00 66.70 67.33 3khj h VAL 349 Cb 0.28 1.40 -0.07 0.00 -1.52 0.00 0.00 31.29 31.39 3khj h VAL 349 CO -0.01 0.11 0.05 1.23 0.02 0.00 0.00 177.57 178.98 3khj h GLY 350 N -0.26 0.49 0.84 2.17 0.00 -0.94 -0.07 103.07 105.30 3khj h GLY 350 Ca -0.01 0.01 0.04 0.00 0.00 0.00 0.00 47.33 47.38 3khj h GLY 350 CO 0.01 -0.08 0.62 -1.33 0.00 0.00 0.00 176.54 175.76 3khj h GLY 351 N 0.17 1.41 1.05 4.60 0.00 -1.06 -1.02 103.07 108.22 3khj h GLY 351 Ca 0.22 -0.47 -0.13 0.00 0.00 0.00 0.00 47.33 46.96 3khj h GLY 351 CO -0.32 0.38 -0.25 -2.00 0.00 0.00 0.00 176.54 174.36 3khj h LEU 352 N 1.18 0.90 -0.40 3.11 5.85 -0.75 -0.94 115.31 124.27 3khj h LEU 352 Ca 0.39 -0.42 0.01 0.00 0.84 0.00 0.00 57.88 58.69 3khj h LEU 352 Cb 0.05 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.80 3khj h LEU 352 CO -0.14 1.13 0.26 0.03 -0.34 0.00 0.00 178.44 179.39 3khj h ARG 353 N 0.68 0.51 -0.36 1.25 3.08 -0.66 -0.64 114.38 118.24 3khj h ARG 353 Ca 0.08 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 3khj h ARG 353 Cb 0.82 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.74 3khj h ARG 353 CO 0.07 0.34 0.20 1.03 -1.07 0.00 0.00 179.97 180.54 3khj h SER 354 N 0.53 0.45 -0.30 7.04 0.87 -1.15 0.13 113.55 121.11 3khj h SER 354 Ca 0.15 -0.08 0.06 0.00 -1.23 0.00 0.00 61.79 60.69 3khj h SER 354 Cb -0.05 -0.11 -0.06 0.00 -0.44 0.00 0.00 62.40 61.74 3khj h SER 354 CO -0.04 0.40 -0.07 0.00 -0.53 0.00 0.00 176.83 176.59 3khj h MET 356 N 0.01 0.00 0.45 0.00 2.07 -0.94 -2.37 114.93 114.15 3khj h MET 356 Ca 0.15 0.00 -0.02 0.00 -2.07 0.00 0.00 59.70 57.75 3khj h MET 356 Cb 0.22 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.95 3khj h MET 356 CO -0.30 0.22 -0.21 0.78 1.07 0.00 0.00 176.91 178.47 3khj h GLY 357 N 1.95 -0.63 0.18 8.32 0.00 -0.08 -0.38 103.07 112.44 3khj h GLY 357 Ca -0.00 0.23 0.19 0.00 0.00 0.00 0.00 47.33 47.75 3khj h GLY 357 CO 0.03 -0.23 0.61 -0.97 0.00 0.00 0.00 176.54 175.99 3khj h TYR 358 N -0.76 0.95 -0.30 5.60 -1.99 -0.73 -1.06 116.97 118.69 3khj h TYR 358 Ca -0.06 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.70 3khj h TYR 358 Cb 0.54 -0.29 0.00 0.00 2.00 0.00 0.00 36.73 38.98 3khj h TYR 358 CO -0.01 0.23 0.00 1.28 -0.00 0.00 0.00 178.16 179.66 3khj n LEU 359 N -4.70 2.21 -3.74 3.88 4.32 -0.92 -1.64 117.00 116.42 3khj n LEU 359 Ca 0.22 -1.00 -0.24 0.00 -0.02 0.00 0.00 56.01 54.98 3khj n LEU 359 Cb 0.60 -0.19 0.04 0.00 -1.62 0.00 0.00 43.42 42.24 3khj n LEU 359 CO 0.24 0.50 0.03 0.61 -1.22 0.00 0.00 177.39 177.55 3khj n GLY 360 N 1.22 -0.38 3.04 -0.72 0.00 -0.40 -4.40 105.19 103.54 3khj n GLY 360 Ca 0.16 0.16 -0.31 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 -3.93 2.75 0.30 1.61 0.01 -0.21 -4.74 113.70 109.49 3khj s SER 361 Ca 0.27 -0.51 0.18 0.00 1.31 0.00 0.00 55.95 57.20 3khj s SER 361 Cb -0.13 -1.23 0.13 0.00 0.21 0.00 0.00 66.02 65.00 3khj s SER 361 CO 0.80 -0.04 1.41 0.00 0.41 0.00 0.00 173.24 175.82 3khj h ALA 362 N 8.00 0.76 -2.42 1.44 0.00 -1.93 -3.41 119.26 121.69 3khj h ALA 362 Ca -0.39 -0.32 -0.25 0.00 0.00 0.00 0.00 54.91 53.95 3khj h ALA 362 Cb 1.14 -0.02 -0.15 0.00 0.00 0.00 0.00 17.79 18.76 3khj h ALA 362 CO 0.55 0.42 -0.64 -1.54 0.00 0.00 0.00 179.25 178.04 3khj s SER 363 N -6.25 0.60 0.26 0.00 1.04 -1.26 0.58 113.70 108.66 3khj s SER 363 Ca 0.04 -1.28 0.02 0.00 0.48 0.00 0.00 55.95 55.21 3khj s SER 363 Cb 0.07 0.26 0.32 0.00 0.10 0.00 0.00 66.02 66.77 3khj s SER 363 CO 0.73 -0.73 1.64 0.40 0.98 0.00 0.00 173.24 176.27 3khj h ILE 364 N 2.68 1.31 -0.21 -1.02 2.04 -1.84 -0.59 117.51 119.88 3khj h ILE 364 Ca -0.36 -1.55 -0.10 0.00 1.00 0.00 0.00 64.86 63.85 3khj h ILE 364 Cb 1.22 1.62 -0.01 0.00 -0.74 0.00 0.00 36.82 38.91 3khj h ILE 364 CO 0.58 0.48 -0.29 -0.08 0.00 0.00 0.00 178.15 178.84 3khj h GLU 365 N 0.34 0.40 -0.11 2.37 4.81 -1.95 -1.58 114.58 118.87 3khj h GLU 365 Ca 0.03 -0.16 -0.12 0.00 -0.13 0.00 0.00 59.36 58.98 3khj h GLU 365 Cb 0.87 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.21 3khj h GLU 365 CO 0.07 0.66 -0.45 1.49 -0.73 0.00 0.00 179.01 180.05 3khj h GLU 366 N 0.35 0.27 -0.49 1.92 4.81 -1.88 -3.13 114.58 116.43 3khj h GLU 366 Ca 0.05 -0.14 -0.07 0.00 -0.13 0.00 0.00 59.36 59.07 3khj h GLU 366 Cb 0.70 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.06 3khj h GLU 366 CO 0.05 0.67 0.01 1.25 -0.73 0.00 0.00 179.01 180.27 3khj h LEU 367 N 0.22 0.83 -0.82 1.64 5.85 -0.47 -2.66 115.31 119.89 3khj h LEU 367 Ca 0.01 -0.30 0.04 0.00 0.84 0.00 0.00 57.88 58.47 3khj h LEU 367 Cb 0.89 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.64 3khj h LEU 367 CO 0.07 0.93 0.52 -0.50 -0.34 0.00 0.00 178.44 179.12 3khj h TRP 368 N 0.71 0.98 -0.04 1.25 6.55 -1.26 -0.08 115.95 124.06 3khj h TRP 368 Ca 0.14 0.03 -0.15 0.00 0.95 0.00 0.00 58.89 59.85 3khj h TRP 368 Cb 0.49 -0.32 -0.01 0.00 -0.86 0.00 0.00 29.16 28.45 3khj h TRP 368 CO 0.04 0.55 -0.66 0.87 -1.05 0.00 0.00 178.44 178.18 3khj h LYS 369 N 1.01 0.16 0.00 0.49 6.56 -1.50 -3.36 116.57 119.92 3khj h LYS 369 Ca 0.34 -0.12 0.00 0.00 -1.06 0.00 0.00 60.65 59.80 3khj h LYS 369 Cb 0.04 0.02 0.00 0.00 -0.57 0.00 0.00 32.23 31.73 3khj h LYS 369 CO -0.13 0.76 -1.33 1.63 -2.06 0.00 0.00 179.45 178.32 3khj n LYS 370 N -3.80 1.04 -2.47 3.15 5.02 -1.01 -5.02 118.16 115.06 3khj n LYS 370 Ca -0.02 -0.09 -0.35 0.00 -2.02 0.00 0.00 58.31 55.83 3khj n LYS 370 Cb 0.66 -1.32 -0.03 0.00 -0.02 0.00 0.00 35.03 34.32 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 -3.30 6.32 0.09 4.39 1.04 -0.06 -4.97 113.70 117.21 3khj s SER 371 Ca -0.01 2.03 -0.14 0.00 0.48 0.00 0.00 55.95 58.31 3khj s SER 371 Cb 0.11 -2.57 0.02 0.00 0.10 0.00 0.00 66.02 63.68 3khj s SER 371 CO 0.65 -0.80 0.34 -0.94 0.98 0.00 0.00 173.24 173.47 3khj s SER 372 N -1.79 -0.14 0.07 7.02 1.04 -1.26 -5.03 113.70 113.60 3khj s SER 372 Ca 0.66 -0.32 -0.01 0.00 0.48 0.00 0.00 55.95 56.76 3khj s SER 372 Cb -0.20 0.42 -0.04 0.00 0.10 0.00 0.00 66.02 66.30 3khj s SER 372 CO 0.24 -0.76 -0.02 -0.72 0.98 0.00 0.00 173.24 172.97 3khj s TYR 373 N -3.40 0.61 0.03 5.02 1.13 -1.26 -1.06 117.35 118.42 3khj s TYR 373 Ca 0.01 -1.08 0.06 0.00 -1.41 0.00 0.00 57.07 54.65 3khj s TYR 373 Cb 0.02 -0.42 -0.03 0.00 -1.10 0.00 0.00 41.96 40.43 3khj s TYR 373 CO -0.09 -0.38 -0.16 0.14 -2.51 0.00 0.00 175.55 172.54 3khj s VAL 374 N -3.92 2.91 0.32 -3.49 -7.23 -0.00 -4.90 120.40 104.08 3khj s VAL 374 Ca 0.10 -1.12 -0.28 0.00 -1.81 0.00 0.00 61.98 58.88 3khj s VAL 374 Cb 0.08 -2.23 -0.09 0.00 0.56 0.00 0.00 36.38 34.70 3khj s VAL 374 CO -0.08 0.35 1.07 -1.61 -0.31 0.00 0.00 175.10 174.53 3khj s GLU 375 N -1.41 4.48 -0.02 4.82 2.02 -1.26 -1.55 118.70 125.77 3khj s GLU 375 Ca 0.15 1.68 0.05 0.00 0.02 0.00 0.00 54.97 56.87 3khj s GLU 375 Cb -0.11 -2.97 -0.01 0.00 0.10 0.00 0.00 34.13 31.15 3khj s GLU 375 CO 0.05 0.11 -0.17 0.42 0.02 0.00 0.00 175.26 175.69 3khj s ILE 376 N -1.34 1.33 0.28 -1.63 1.09 0.23 -4.92 121.20 116.25 3khj s ILE 376 Ca 0.49 -0.71 -0.28 0.00 -1.10 0.00 0.00 60.65 59.05 3khj s ILE 376 Cb -0.28 -1.12 -0.09 0.00 -1.06 0.00 0.00 42.46 39.91 3khj s ILE 376 CO 0.36 0.38 0.97 0.42 -0.10 0.00 0.00 174.94 176.97 3khj s THR 377 N -0.29 4.00 0.24 2.92 -4.23 -1.26 -4.73 115.64 112.30 3khj s THR 377 Ca 0.04 1.87 -0.05 0.00 -1.18 0.00 0.00 61.69 62.38 3khj s THR 377 Cb -0.08 -4.14 0.22 0.00 1.34 0.00 0.00 72.50 69.84 3khj s THR 377 CO -0.00 0.34 1.72 0.71 -0.54 0.00 0.00 174.62 176.85 3khj h THR 378 N 2.92 0.62 0.00 3.99 1.35 -1.95 -3.51 112.91 116.32 3khj h THR 378 Ca -0.46 -0.13 0.00 0.00 -0.55 0.00 0.00 66.41 65.27 3khj h THR 378 Cb 1.20 0.20 0.00 0.00 -1.73 0.00 0.00 68.15 67.82 3khj h THR 378 CO 0.67 0.07 0.00 -1.20 -0.25 0.00 0.00 175.52 174.81