#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gh1 s LEU 3 N 0.00 3.36 -0.25 -3.43 2.96 -1.26 -4.94 118.68 115.12 3gh1 s LEU 3 Ca 0.00 0.50 -0.22 0.00 -0.22 0.00 0.00 54.13 54.19 3gh1 s LEU 3 Cb 0.00 -2.87 -0.01 0.00 0.50 0.00 0.00 46.19 43.80 3gh1 s LEU 3 CO 0.00 -2.04 0.71 -0.63 -1.32 0.00 0.00 176.35 173.07 3gh1 s ILE 4 N 7.71 4.92 -0.23 6.68 1.01 -1.26 -1.46 121.20 138.58 3gh1 s ILE 4 Ca 0.65 1.31 -0.05 0.00 0.00 0.00 0.00 60.65 62.56 3gh1 s ILE 4 Cb -0.14 -4.01 -0.01 0.00 0.01 0.00 0.00 42.46 38.31 3gh1 s ILE 4 CO 0.24 -0.01 -0.01 -0.63 0.00 0.00 0.00 174.94 174.53 3gh1 s ILE 5 N 2.64 3.60 0.05 2.92 -1.09 0.78 -4.95 121.20 125.15 3gh1 s ILE 5 Ca 0.30 -0.44 -0.30 0.00 -2.23 0.00 0.00 60.65 57.98 3gh1 s ILE 5 Cb -0.15 -2.66 -0.05 0.00 -1.58 0.00 0.00 42.46 38.02 3gh1 s ILE 5 CO 0.08 0.39 1.07 -1.10 -1.23 0.00 0.00 174.94 174.15 3gh1 s GLN 6 N 1.51 4.53 -0.19 2.79 -1.52 -1.26 -0.17 119.66 125.35 3gh1 s GLN 6 Ca 0.06 1.59 -0.03 0.00 -1.95 0.00 0.00 55.36 55.02 3gh1 s GLN 6 Cb -0.15 -3.39 -0.01 0.00 -0.22 0.00 0.00 33.01 29.24 3gh1 s GLN 6 CO -0.02 -0.09 -0.07 0.08 -0.25 0.00 0.00 175.29 174.94 3gh1 s VAL 7 N 0.81 3.27 0.63 1.09 1.01 0.31 -4.97 120.40 122.54 3gh1 s VAL 7 Ca 0.54 -0.54 -0.15 0.00 0.00 0.00 0.00 61.98 61.83 3gh1 s VAL 7 Cb -0.25 -2.46 -0.02 0.00 0.00 0.00 0.00 36.38 33.65 3gh1 s VAL 7 CO 0.29 0.46 1.07 -0.44 0.00 0.00 0.00 175.10 176.48 3gh1 s SER 8 N 1.12 5.57 0.17 3.32 0.01 -1.26 -1.55 113.70 121.07 3gh1 s SER 8 Ca 0.01 1.82 -0.32 0.00 1.31 0.00 0.00 55.95 58.76 3gh1 s SER 8 Cb -0.15 -2.53 -0.16 0.00 0.21 0.00 0.00 66.02 63.39 3gh1 s SER 8 CO -0.01 -1.31 1.05 -2.65 0.41 0.00 0.00 173.24 170.72 3gh1 n PRO 9 N -2.31 0.89 -3.67 12.44 -0.02 -1.24 -4.89 135.00 136.20 3gh1 n PRO 9 Ca 0.09 0.32 -0.14 0.00 -2.02 0.00 0.00 63.50 61.75 3gh1 n PRO 9 Cb 0.53 -1.73 -0.13 0.00 -0.02 0.00 0.00 33.50 32.14 3gh1 n PRO 9 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3gh1 s ALA 10 N -0.37 -0.51 0.00 3.55 0.00 -1.26 -5.08 121.76 118.09 3gh1 s ALA 10 Ca 0.72 0.90 0.00 0.00 0.00 0.00 0.00 51.96 53.58 3gh1 s ALA 10 Cb -0.90 -0.94 0.00 0.00 0.00 0.00 0.00 23.12 21.29 3gh1 s ALA 10 CO 0.54 -0.57 0.00 0.41 0.00 0.00 0.00 175.76 176.14 3gh1 n GLY 11 N 5.18 0.58 3.73 0.00 0.00 -1.26 -4.58 105.19 108.84 3gh1 n GLY 11 Ca -0.09 -1.54 -0.30 0.00 0.00 0.00 0.00 46.02 44.09 3gh1 n GLY 11 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gh1 s SER 12 N -4.00 5.25 0.17 1.61 0.01 -1.26 -5.19 113.70 110.29 3gh1 s SER 12 Ca 0.00 -0.11 0.04 0.00 1.31 0.00 0.00 55.95 57.19 3gh1 s SER 12 Cb 0.00 -1.32 -0.05 0.00 0.21 0.00 0.00 66.02 64.86 3gh1 s SER 12 CO 0.00 0.17 -0.07 -1.81 0.41 0.00 0.00 173.24 171.94 3gh1 s ASP 14 N -2.39 1.77 0.57 2.44 1.01 -1.26 -5.15 116.67 113.66 3gh1 s ASP 14 Ca 0.27 -1.09 -0.20 0.00 0.71 0.00 0.00 52.55 52.25 3gh1 s ASP 14 Cb -0.12 0.00 -0.05 0.00 1.01 0.00 0.00 42.92 43.77 3gh1 s ASP 14 CO 0.20 -0.40 1.20 -0.76 0.21 0.00 0.00 175.17 175.62 3gh1 s LEU 15 N -3.21 3.73 0.22 1.23 1.43 -1.26 -4.80 118.68 116.03 3gh1 s LEU 15 Ca 0.21 2.38 0.12 0.00 -1.03 0.00 0.00 54.13 55.80 3gh1 s LEU 15 Cb 0.04 -4.53 -0.05 0.00 0.03 0.00 0.00 46.19 41.68 3gh1 s LEU 15 CO 0.03 -1.45 -0.22 -0.76 0.23 0.00 0.00 176.35 174.18 3gh1 s LEU 16 N -3.86 2.50 0.55 1.79 1.43 -1.26 -5.11 118.68 114.73 3gh1 s LEU 16 Ca 0.75 -0.91 -0.04 0.00 -1.03 0.00 0.00 54.13 52.90 3gh1 s LEU 16 Cb -0.30 -1.16 0.01 0.00 0.03 0.00 0.00 46.19 44.77 3gh1 s LEU 16 CO 0.33 0.09 0.83 -0.94 0.23 0.00 0.00 176.35 176.90 3gh1 s SER 17 N -2.94 5.60 0.23 2.29 1.04 -1.26 -4.98 113.70 113.67 3gh1 s SER 17 Ca 0.24 0.54 -0.08 0.00 0.48 0.00 0.00 55.95 57.12 3gh1 s SER 17 Cb -0.07 -1.57 0.21 0.00 0.10 0.00 0.00 66.02 64.69 3gh1 s SER 17 CO 0.12 -0.99 1.90 -0.61 0.98 0.00 0.00 173.24 174.64 3gh1 h GLN 18 N -0.02 1.16 -0.88 4.02 5.75 -2.01 -2.57 115.11 120.56 3gh1 h GLN 18 Ca -0.45 -0.07 0.10 0.00 -0.15 0.00 0.00 58.65 58.08 3gh1 h GLN 18 Cb 1.26 -0.26 -0.08 0.00 1.07 0.00 0.00 27.48 29.47 3gh1 h GLN 18 CO 0.59 0.77 0.52 1.25 -2.65 0.00 0.00 178.83 179.31 3gh1 h LEU 19 N 1.19 0.75 -1.47 -2.39 5.85 -2.00 0.01 115.31 117.25 3gh1 h LEU 19 Ca 0.32 0.05 -0.05 0.00 0.84 0.00 0.00 57.88 59.05 3gh1 h LEU 19 Cb -0.13 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 40.79 3gh1 h LEU 19 CO -0.07 0.42 -0.16 -0.33 -0.34 0.00 0.00 178.44 177.96 3gh1 h GLU 20 N 0.85 0.15 -0.00 1.25 5.08 -1.84 -3.22 114.58 116.85 3gh1 h GLU 20 Ca 0.43 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.75 3gh1 h GLU 20 Cb 0.40 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.63 3gh1 h GLU 20 CO -0.25 0.31 -0.40 1.33 -1.00 0.00 0.00 179.01 179.00 3gh1 n VAL 21 N -4.28 0.00 -0.28 3.13 0.24 -0.99 -4.68 118.33 111.47 3gh1 n VAL 21 Ca -0.01 -0.30 0.14 0.00 -2.04 0.00 0.00 64.34 62.13 3gh1 n VAL 21 Cb 0.27 1.07 0.40 0.00 -1.47 0.00 0.00 33.84 34.11 3gh1 n VAL 21 CO 0.00 0.00 0.00 1.05 -2.14 0.00 0.00 176.83 175.74 3gh1 h GLU 22 N 0.67 0.61 0.00 7.34 4.11 -1.01 -0.83 114.58 125.47 3gh1 h GLU 22 Ca 0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.39 3gh1 h GLU 22 Cb 0.34 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.46 3gh1 h GLU 22 CO 0.00 0.40 0.00 0.54 0.07 0.00 0.00 179.01 180.02 3gh1 n ARG 23 N -4.58 0.01 -0.33 1.06 1.74 -1.26 -3.18 116.66 110.11 3gh1 n ARG 23 Ca 0.19 0.08 0.06 0.00 -0.77 0.00 0.00 57.85 57.41 3gh1 n ARG 23 Cb 0.55 -1.51 0.21 0.00 -1.02 0.00 0.00 32.46 30.68 3gh1 n ARG 23 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3gh1 n LEU 24 N -1.52 2.83 -4.73 0.55 4.77 -0.32 -3.76 117.00 114.83 3gh1 n LEU 24 Ca 0.06 -1.43 -0.41 0.00 -0.03 0.00 0.00 56.01 54.20 3gh1 n LEU 24 Cb 0.29 -0.40 -0.04 0.00 -2.33 0.00 0.00 43.42 40.94 3gh1 n LEU 24 CO 0.23 0.54 0.69 -0.54 -1.33 0.00 0.00 177.39 176.99 3gh1 s LYS 25 N -1.63 4.68 -0.45 3.23 1.02 -1.19 -4.73 119.74 120.67 3gh1 s LYS 25 Ca 0.30 1.51 -0.27 0.00 0.02 0.00 0.00 55.97 57.53 3gh1 s LYS 25 Cb 0.18 -3.35 -0.03 0.00 -0.52 0.00 0.00 37.83 34.11 3gh1 s LYS 25 CO 0.16 0.19 1.93 0.21 -0.92 0.00 0.00 175.35 176.92 3gh1 s LYS 26 N -0.11 2.89 0.00 1.68 2.20 -1.26 -4.70 119.74 120.43 3gh1 s LYS 26 Ca 0.47 1.15 0.00 0.00 -0.36 0.00 0.00 55.97 57.24 3gh1 s LYS 26 Cb -0.25 -4.33 0.00 0.00 -1.51 0.00 0.00 37.83 31.74 3gh1 s LYS 26 CO 0.31 -2.40 0.00 0.25 -0.36 0.00 0.00 175.35 173.15 3gh1 n THR 27 N 7.44 0.00 -0.03 3.43 -2.24 -1.26 -5.18 114.28 116.43 3gh1 n THR 27 Ca 0.24 0.01 0.00 0.00 -2.27 0.00 0.00 64.05 62.04 3gh1 n THR 27 Cb 0.50 -0.68 0.00 0.00 -2.10 0.00 0.00 70.33 68.05 3gh1 n THR 27 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3gh1 n SER 30 N -1.30 -0.06 -0.05 3.42 2.88 -1.26 -5.22 113.62 112.04 3gh1 n SER 30 Ca 0.00 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.53 3gh1 n SER 30 Cb 0.00 -0.03 0.27 0.00 -0.75 0.00 0.00 64.21 63.70 3gh1 n SER 30 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 3gh1 h ASP 31 N 0.00 0.59 -0.58 -3.46 5.19 -1.97 -2.97 116.42 113.22 3gh1 h ASP 31 Ca 0.00 -0.10 -0.07 0.00 -0.62 0.00 0.00 57.03 56.24 3gh1 h ASP 31 Cb 0.00 -0.15 -0.03 0.00 0.18 0.00 0.00 39.33 39.33 3gh1 h ASP 31 CO 0.00 0.61 0.09 0.25 -3.12 0.00 0.00 179.24 177.06 3gh1 h LEU 32 N 0.62 0.96 -0.08 1.55 5.85 -1.97 -1.26 115.31 120.97 3gh1 h LEU 32 Ca 0.14 -0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.64 3gh1 h LEU 32 Cb 0.27 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.04 3gh1 h LEU 32 CO 0.00 0.97 0.05 0.22 -0.34 0.00 0.00 178.44 179.34 3gh1 h TYR 33 N 0.94 0.10 -0.84 1.25 5.03 -1.63 0.12 116.97 121.95 3gh1 h TYR 33 Ca 0.19 0.00 0.01 0.00 2.58 0.00 0.00 58.73 61.51 3gh1 h TYR 33 Cb 0.43 -0.03 -0.04 0.00 1.55 0.00 0.00 36.73 38.63 3gh1 h TYR 33 CO 0.03 0.06 0.56 1.96 -1.32 0.00 0.00 178.16 179.45 3gh1 h GLN 34 N 0.11 1.09 -0.27 1.82 1.08 -1.28 0.25 115.11 117.91 3gh1 h GLN 34 Ca 0.03 -0.07 -0.04 0.00 -1.45 0.00 0.00 58.65 57.13 3gh1 h GLN 34 Cb -0.01 -0.25 -0.01 0.00 -0.05 0.00 0.00 27.48 27.16 3gh1 h GLN 34 CO -0.01 0.72 0.03 1.25 -0.95 0.00 0.00 178.83 179.88 3gh1 h LEU 35 N 1.13 0.44 -0.17 1.46 6.46 -0.79 -0.82 115.31 123.02 3gh1 h LEU 35 Ca 0.31 -0.28 0.03 0.00 -0.12 0.00 0.00 57.88 57.82 3gh1 h LEU 35 Cb -0.11 -0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 39.68 3gh1 h LEU 35 CO -0.07 0.61 0.02 0.22 -0.62 0.00 0.00 178.44 178.59 3gh1 h TYR 36 N 0.26 0.02 -0.43 1.25 3.20 -0.02 -1.38 116.97 119.88 3gh1 h TYR 36 Ca 0.08 0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.03 3gh1 h TYR 36 Cb 0.36 0.02 -0.06 0.00 1.54 0.00 0.00 36.73 38.59 3gh1 h TYR 36 CO 0.03 -0.00 0.10 -0.09 -1.64 0.00 0.00 178.16 176.55 3gh1 h ARG 37 N 0.08 0.23 -0.46 1.82 2.43 -0.46 -0.74 114.38 117.30 3gh1 h ARG 37 Ca 0.08 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.23 3gh1 h ARG 37 Cb 0.09 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.56 3gh1 h ARG 37 CO -0.12 0.15 0.26 -0.97 -1.51 0.00 0.00 179.97 177.78 3gh1 h ASN 38 N 0.24 0.56 -0.44 -3.80 -1.24 -0.86 0.11 115.58 110.15 3gh1 h ASN 38 Ca 0.21 -0.08 -0.07 0.00 0.71 0.00 0.00 56.30 57.07 3gh1 h ASN 38 Cb 0.24 -0.14 -0.02 0.00 0.73 0.00 0.00 38.32 39.13 3gh1 h ASN 38 CO -0.26 0.47 0.03 0.00 -1.29 0.00 0.00 177.43 176.38 3gh1 h SER 40 N 0.78 0.71 -0.88 0.00 0.02 -0.79 -2.70 113.55 110.69 3gh1 h SER 40 Ca 0.16 -0.52 0.08 0.00 -0.84 0.00 0.00 61.79 60.67 3gh1 h SER 40 Cb 0.43 -0.20 -0.07 0.00 0.14 0.00 0.00 62.40 62.70 3gh1 h SER 40 CO 0.02 1.09 0.54 0.25 -1.14 0.00 0.00 176.83 177.59 3gh1 h LEU 41 N 0.36 0.81 -1.20 5.07 5.85 -0.61 -2.61 115.31 122.98 3gh1 h LEU 41 Ca 0.02 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.77 3gh1 h LEU 41 Cb 0.94 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.80 3gh1 h LEU 41 CO 0.08 0.49 0.48 0.00 -0.34 0.00 0.00 178.44 179.15 3gh1 h ALA 42 N 1.45 1.41 0.00 1.25 0.00 -0.62 0.90 119.26 123.65 3gh1 h ALA 42 Ca 0.40 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 55.12 3gh1 h ALA 42 Cb 0.28 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3gh1 h ALA 42 CO -0.21 0.53 -0.59 0.28 0.00 0.00 0.00 179.25 179.26 3gh1 h VAL 43 N 1.05 1.10 0.00 0.00 2.07 -1.26 -2.28 116.25 116.94 3gh1 h VAL 43 Ca 0.28 -2.31 -0.18 0.00 0.82 0.00 0.00 66.70 65.30 3gh1 h VAL 43 Cb -0.08 2.38 -0.03 0.00 -1.52 0.00 0.00 31.29 32.04 3gh1 h VAL 43 CO -0.06 0.58 -0.88 -0.07 0.02 0.00 0.00 177.57 177.16 3gh1 h LEU 44 N 0.00 0.00 -4.87 2.57 3.38 -1.04 -3.34 115.31 112.00 3gh1 h LEU 44 Ca -0.01 0.00 -0.72 0.00 0.09 0.00 0.00 57.88 57.25 3gh1 h LEU 44 Cb 1.33 0.00 -0.25 0.00 0.09 0.00 0.00 40.66 41.83 3gh1 h LEU 44 CO 0.08 0.88 0.94 -3.20 0.09 0.00 0.00 178.44 177.23 3gh1 n ASN 45 N -3.37 7.36 0.04 -0.43 5.15 0.26 -4.01 115.26 120.25 3gh1 n ASN 45 Ca 0.00 -3.73 0.12 0.00 -0.60 0.00 0.00 54.58 50.37 3gh1 n ASN 45 Cb 0.87 -1.09 0.14 0.00 -0.53 0.00 0.00 39.78 39.17 3gh1 n ASN 45 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 3gh1 n SER 46 N -0.31 0.65 -4.30 1.20 3.41 -1.24 -4.79 113.62 108.24 3gh1 n SER 46 Ca 0.53 -0.02 -0.29 0.00 -0.26 0.00 0.00 58.87 58.84 3gh1 n SER 46 Cb 0.30 0.34 0.24 0.00 -0.26 0.00 0.00 64.21 64.83 3gh1 n SER 46 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3gh1 s GLY 47 N -3.56 1.53 -0.04 5.00 0.00 -1.26 -4.81 107.32 104.18 3gh1 s GLY 47 Ca 0.06 -0.44 -0.10 0.00 0.00 0.00 0.00 44.72 44.25 3gh1 s GLY 47 CO 0.74 0.33 1.22 1.44 0.00 0.00 0.00 173.10 176.83 3gh1 n SER 48 N -4.81 0.48 -4.69 1.64 7.64 -1.26 -4.71 113.62 107.91 3gh1 n SER 48 Ca 0.06 -2.17 -0.42 0.00 1.01 0.00 0.00 58.87 57.35 3gh1 n SER 48 Cb 0.57 -0.53 -0.03 0.00 -1.01 0.00 0.00 64.21 63.21 3gh1 n SER 48 CO 0.00 0.00 0.00 -1.38 -3.01 0.00 0.00 175.04 170.65 3gh1 s HIS 49 N 5.54 2.25 0.06 1.43 -0.00 -1.26 -4.86 115.29 118.46 3gh1 s HIS 49 Ca 0.22 0.03 -0.37 0.00 -0.00 0.00 0.00 55.06 54.94 3gh1 s HIS 49 Cb 0.05 -4.17 -0.20 0.00 -0.00 0.00 0.00 32.58 28.26 3gh1 s HIS 49 CO 0.10 -4.77 1.57 0.00 -0.00 0.00 0.00 174.74 171.64 3gh1 h THR 50 N 4.58 0.02 -0.25 -5.38 1.03 -1.94 -3.46 112.91 107.51 3gh1 h THR 50 Ca -0.46 0.00 -0.47 0.00 -0.01 0.00 0.00 66.41 65.47 3gh1 h THR 50 Cb 1.21 0.02 -0.01 0.00 -1.07 0.00 0.00 68.15 68.30 3gh1 h THR 50 CO 0.95 0.00 0.60 -0.67 -0.01 0.00 0.00 175.52 176.39 3gh1 n ASP 51 N -5.66 0.55 -1.06 0.00 2.03 -1.26 -4.90 116.55 106.26 3gh1 n ASP 51 Ca -0.16 0.52 0.12 0.00 0.52 0.00 0.00 54.79 55.78 3gh1 n ASP 51 Cb 0.52 -0.51 0.20 0.00 -0.72 0.00 0.00 41.12 40.61 3gh1 n ASP 51 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 3gh1 n ASN 52 N 3.45 3.20 -4.69 1.67 2.04 -1.26 -4.76 115.26 114.91 3gh1 n ASN 52 Ca 0.26 -1.97 -0.39 0.00 -0.44 0.00 0.00 54.58 52.03 3gh1 n ASN 52 Cb -0.03 -0.17 -0.06 0.00 -2.53 0.00 0.00 39.78 37.00 3gh1 n ASN 52 CO 0.00 0.00 0.00 -0.55 -0.44 0.00 0.00 177.26 176.27 3gh1 s SER 53 N -1.65 6.74 0.00 0.53 0.15 -1.26 -4.56 113.70 113.65 3gh1 s SER 53 Ca 0.36 0.89 0.00 0.00 0.70 0.00 0.00 55.95 57.90 3gh1 s SER 53 Cb 0.22 -2.34 0.00 0.00 -1.71 0.00 0.00 66.02 62.18 3gh1 s SER 53 CO 0.31 -0.17 0.20 0.29 1.20 0.00 0.00 173.24 175.07 3gh1 n LYS 54 N 4.45 0.32 0.00 5.44 5.02 -1.26 -3.03 118.16 129.10 3gh1 n LYS 54 Ca -0.03 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.27 3gh1 n LYS 54 Cb 0.51 -1.20 0.07 0.00 -0.02 0.00 0.00 35.03 34.38 3gh1 n LYS 54 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3gh1 n GLU 55 N 0.45 0.56 0.31 1.97 -0.58 -1.26 -3.96 120.64 118.13 3gh1 n GLU 55 Ca 0.00 0.00 -0.18 0.00 -0.42 0.00 0.00 57.16 56.56 3gh1 n GLU 55 Cb 0.10 -1.06 -0.09 0.00 -0.57 0.00 0.00 31.44 29.81 3gh1 n GLU 55 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 3gh1 h LEU 56 N 0.00 -1.29 -0.78 -4.62 -0.00 -1.92 -3.30 115.31 103.41 3gh1 h LEU 56 Ca 0.00 0.10 0.18 0.00 -0.00 0.00 0.00 57.88 58.16 3gh1 h LEU 56 Cb 0.00 0.42 -0.13 0.00 -0.00 0.00 0.00 40.66 40.94 3gh1 h LEU 56 CO 0.00 -0.66 0.02 -0.07 -0.00 0.00 0.00 178.44 177.73 3gh1 h LEU 57 N -1.00 -0.34 -1.85 1.67 3.38 -1.92 -1.45 115.31 113.80 3gh1 h LEU 57 Ca -0.06 0.20 0.29 0.00 0.09 0.00 0.00 57.88 58.39 3gh1 h LEU 57 Cb 0.86 0.35 -0.04 0.00 0.09 0.00 0.00 40.66 41.92 3gh1 h LEU 57 CO -0.03 -0.19 0.82 0.44 0.09 0.00 0.00 178.44 179.57 3gh1 h ASP 58 N 0.11 0.00 0.03 -0.43 5.19 -1.88 1.42 116.42 120.86 3gh1 h ASP 58 Ca 0.43 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.79 3gh1 h ASP 58 Cb 0.77 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.27 3gh1 h ASP 58 CO -0.68 0.00 -0.13 0.50 -3.12 0.00 0.00 179.24 175.81 3gh1 h LYS 59 N 0.00 0.22 -1.37 3.56 3.64 -1.47 -3.33 116.57 117.83 3gh1 h LYS 59 Ca 0.47 -0.05 -0.58 0.00 -1.27 0.00 0.00 60.65 59.22 3gh1 h LYS 59 Cb 2.10 -0.03 -0.42 0.00 -0.41 0.00 0.00 32.23 33.47 3gh1 h LYS 59 CO -0.00 0.37 -0.75 0.66 -2.27 0.00 0.00 179.45 177.45 3gh1 n TYR 60 N -4.28 3.27 0.18 1.91 4.01 0.48 -4.86 117.16 117.88 3gh1 n TYR 60 Ca -0.01 -2.95 0.02 0.00 -0.16 0.00 0.00 57.90 54.80 3gh1 n TYR 60 Cb 0.27 -0.13 0.35 0.00 -0.31 0.00 0.00 39.34 39.51 3gh1 n TYR 60 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 3gh1 h LYS 61 N 2.51 0.01 -0.09 -0.72 1.57 -1.66 -1.92 116.57 116.27 3gh1 h LYS 61 Ca 0.31 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 3gh1 h LYS 61 Cb 1.03 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.34 3gh1 h LYS 61 CO 0.83 0.39 0.00 0.27 -0.57 0.00 0.00 179.45 180.37 3gh1 n ASN 62 N -4.09 1.14 -4.77 0.86 6.94 -1.26 -4.91 115.26 109.17 3gh1 n ASN 62 Ca -0.02 -1.56 -0.41 0.00 -0.02 0.00 0.00 54.58 52.57 3gh1 n ASN 62 Cb 0.41 -0.06 0.00 0.00 -2.36 0.00 0.00 39.78 37.78 3gh1 n ASN 62 CO 0.00 0.00 0.00 0.12 -1.03 0.00 0.00 177.26 176.35 3gh1 s PHE 63 N -1.89 2.61 0.19 -2.53 5.36 -0.72 -4.60 117.98 116.40 3gh1 s PHE 63 Ca 0.33 1.22 -0.17 0.00 -0.96 0.00 0.00 56.93 57.36 3gh1 s PHE 63 Cb 0.17 -3.95 0.02 0.00 -0.34 0.00 0.00 43.02 38.92 3gh1 s PHE 63 CO 0.27 -2.83 0.50 -0.51 -1.46 0.00 0.00 175.22 171.18 3gh1 s ASP 64 N -0.28 -0.23 -0.00 6.13 1.01 -0.87 -4.98 116.67 117.46 3gh1 s ASP 64 Ca 0.54 -0.52 0.00 0.00 0.71 0.00 0.00 52.55 53.29 3gh1 s ASP 64 Cb -0.45 0.56 0.00 0.00 1.01 0.00 0.00 42.92 44.04 3gh1 s ASP 64 CO 0.60 -1.03 -0.00 -0.51 0.21 0.00 0.00 175.17 174.43 3gh1 s ILE 65 N -3.88 0.05 -0.07 0.77 2.07 -1.26 0.61 121.20 119.50 3gh1 s ILE 65 Ca 0.10 -0.01 0.04 0.00 -1.41 0.00 0.00 60.65 59.37 3gh1 s ILE 65 Cb -0.00 -0.06 -0.00 0.00 0.13 0.00 0.00 42.46 42.53 3gh1 s ILE 65 CO -0.03 0.02 -0.20 -0.89 -1.91 0.00 0.00 174.94 171.93 3gh1 s THR 66 N 0.06 1.71 0.52 4.00 2.01 0.18 -4.86 115.64 119.25 3gh1 s THR 66 Ca -0.00 -0.85 0.06 0.00 0.31 0.00 0.00 61.69 61.21 3gh1 s THR 66 Cb -0.01 -1.47 0.09 0.00 0.01 0.00 0.00 72.50 71.12 3gh1 s THR 66 CO -0.00 0.48 0.71 0.52 -0.69 0.00 0.00 174.62 175.64 3gh1 n VAL 67 N 3.31 0.00 -3.56 3.82 0.31 -1.26 -1.42 118.33 119.53 3gh1 n VAL 67 Ca -0.19 -1.53 -0.12 0.00 -0.01 0.00 0.00 64.34 62.49 3gh1 n VAL 67 Cb 0.53 -0.70 -0.11 0.00 -0.91 0.00 0.00 33.84 32.64 3gh1 n VAL 67 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3gh1 s ARG 69 N -4.32 0.24 0.00 5.55 0.52 -1.26 -4.99 118.95 114.68 3gh1 s ARG 69 Ca 0.52 0.65 0.00 0.00 -0.52 0.00 0.00 55.73 56.38 3gh1 s ARG 69 Cb -0.04 -0.28 0.00 0.00 0.52 0.00 0.00 34.95 35.15 3gh1 s ARG 69 CO 0.33 -0.43 0.00 0.54 0.02 0.00 0.00 175.30 175.76 3gh1 n ARG 70 N 5.36 0.78 0.00 3.54 5.12 -0.63 -4.99 116.66 125.84 3gh1 n ARG 70 Ca -0.06 0.00 -0.01 0.00 -1.93 0.00 0.00 57.85 55.85 3gh1 n ARG 70 Cb 0.50 0.00 0.27 0.00 -1.16 0.00 0.00 32.46 32.06 3gh1 n ARG 70 CO 0.00 0.00 0.00 1.05 -1.93 0.00 0.00 177.63 176.75 3gh1 h GLU 71 N 0.00 0.52 -0.34 5.56 9.09 -2.05 -1.72 114.58 125.65 3gh1 h GLU 71 Ca 0.00 -0.13 -0.10 0.00 0.05 0.00 0.00 59.36 59.17 3gh1 h GLU 71 Cb 0.00 -0.06 -0.06 0.00 -1.65 0.00 0.00 28.75 26.97 3gh1 h GLU 71 CO 0.00 0.60 0.00 0.54 0.05 0.00 0.00 179.01 180.20 3gh1 n ARG 72 N -4.23 2.42 0.00 1.06 1.74 -1.26 -5.07 116.66 111.32 3gh1 n ARG 72 Ca 0.01 -3.00 0.00 0.00 -0.77 0.00 0.00 57.85 54.09 3gh1 n ARG 72 Cb 0.29 -1.85 0.00 0.00 -1.02 0.00 0.00 32.46 29.88 3gh1 n ARG 72 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3gh1 n GLY 73 N -0.81 -0.81 3.73 -0.13 0.00 -0.65 -4.89 105.19 101.63 3gh1 n GLY 73 Ca 0.28 -1.95 -0.41 0.00 0.00 0.00 0.00 46.02 43.94 3gh1 n GLY 73 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gh1 s ILE 74 N 0.00 3.95 0.17 -0.61 -1.09 -1.26 -1.60 121.20 120.75 3gh1 s ILE 74 Ca 0.00 1.53 0.07 0.00 -2.23 0.00 0.00 60.65 60.02 3gh1 s ILE 74 Cb 0.00 -3.98 -0.04 0.00 -1.58 0.00 0.00 42.46 36.86 3gh1 s ILE 74 CO 0.00 0.19 -0.02 -0.54 -1.23 0.00 0.00 174.94 173.34 3gh1 s LYS 75 N 0.32 2.34 -0.05 2.79 1.02 -1.26 -3.69 119.74 121.21 3gh1 s LYS 75 Ca 0.54 -1.11 0.04 0.00 0.02 0.00 0.00 55.97 55.46 3gh1 s LYS 75 Cb -0.29 -2.33 -0.02 0.00 -0.52 0.00 0.00 37.83 34.66 3gh1 s LYS 75 CO 0.32 0.46 -0.18 -0.51 -0.92 0.00 0.00 175.35 174.52 3gh1 s LEU 76 N -2.84 2.51 -0.23 3.17 1.43 -0.60 -4.53 118.68 117.60 3gh1 s LEU 76 Ca 0.26 -0.30 -0.04 0.00 -1.03 0.00 0.00 54.13 53.03 3gh1 s LEU 76 Cb -0.09 -1.49 -0.00 0.00 0.03 0.00 0.00 46.19 44.63 3gh1 s LEU 76 CO 0.18 0.31 -0.05 -0.70 0.23 0.00 0.00 176.35 176.32 3gh1 s GLU 77 N -0.53 3.28 -0.17 1.70 2.12 -0.51 0.11 118.70 124.71 3gh1 s GLU 77 Ca 0.07 -0.69 -0.07 0.00 0.36 0.00 0.00 54.97 54.64 3gh1 s GLU 77 Cb -0.11 -3.01 -0.04 0.00 0.26 0.00 0.00 34.13 31.23 3gh1 s GLU 77 CO 0.01 -0.24 0.06 -0.51 -0.54 0.00 0.00 175.26 174.04 3gh1 s LEU 78 N 1.45 3.83 -0.25 2.70 1.43 0.77 -0.64 118.68 127.96 3gh1 s LEU 78 Ca 0.05 0.11 -0.09 0.00 -1.03 0.00 0.00 54.13 53.17 3gh1 s LEU 78 Cb -0.15 -1.96 -0.04 0.00 0.03 0.00 0.00 46.19 44.08 3gh1 s LEU 78 CO -0.04 0.21 0.13 0.00 0.23 0.00 0.00 176.35 176.88 3gh1 s ALA 79 N 0.14 3.39 -1.22 4.21 0.00 0.20 -0.16 121.76 128.32 3gh1 s ALA 79 Ca 0.05 -1.05 -0.11 0.00 0.00 0.00 0.00 51.96 50.85 3gh1 s ALA 79 Cb -0.12 -2.25 -0.01 0.00 0.00 0.00 0.00 23.12 20.73 3gh1 s ALA 79 CO 0.01 -0.41 0.71 0.09 0.00 0.00 0.00 175.76 176.15 3gh1 n ASN 80 N 4.77 -3.51 -4.76 0.00 3.02 -0.53 -2.04 115.26 112.20 3gh1 n ASN 80 Ca -0.15 -0.95 -0.37 0.00 -0.03 0.00 0.00 54.58 53.08 3gh1 n ASN 80 Cb 0.52 -3.61 0.02 0.00 -0.61 0.00 0.00 39.78 36.10 3gh1 n ASN 80 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3gh1 s PRO 81 N -5.97 3.28 0.16 3.52 0.04 -1.26 -4.32 135.00 130.46 3gh1 s PRO 81 Ca 0.28 1.87 -0.34 0.00 0.04 0.00 0.00 61.00 62.85 3gh1 s PRO 81 Cb -0.09 -2.14 -0.15 0.00 0.04 0.00 0.00 34.50 32.15 3gh1 s PRO 81 CO 0.85 -0.97 1.33 -2.30 0.04 0.00 0.00 177.00 175.95 3gh1 n PRO 82 N -1.12 1.52 0.18 0.56 -0.02 -1.26 -4.90 135.00 129.96 3gh1 n PRO 82 Ca 0.11 0.54 0.08 0.00 -2.02 0.00 0.00 63.50 62.21 3gh1 n PRO 82 Cb 0.48 -2.16 0.60 0.00 -0.02 0.00 0.00 33.50 32.41 3gh1 n PRO 82 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 3gh1 h GLU 83 N 4.27 0.12 0.00 -0.52 4.11 -1.93 -2.83 114.58 117.80 3gh1 h GLU 83 Ca -0.45 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 58.97 3gh1 h GLU 83 Cb 1.31 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.54 3gh1 h GLU 83 CO 0.76 0.08 0.00 -2.39 0.07 0.00 0.00 179.01 177.53 3gh1 n HIS 84 N -4.51 0.00 1.58 2.06 1.44 -1.26 -1.23 115.22 113.30 3gh1 n HIS 84 Ca -0.00 0.00 0.10 0.00 -2.01 0.00 0.00 57.72 55.81 3gh1 n HIS 84 Cb 0.13 -0.44 0.61 0.00 0.12 0.00 0.00 29.99 30.41 3gh1 n HIS 84 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3gh1 n ALA 85 N -1.44 2.41 -2.38 1.59 0.00 -1.07 -4.84 120.51 114.78 3gh1 n ALA 85 Ca 0.03 -0.13 -0.31 0.00 0.00 0.00 0.00 53.44 53.04 3gh1 n ALA 85 Cb 0.12 -1.33 -0.14 0.00 0.00 0.00 0.00 19.45 18.10 3gh1 n ALA 85 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3gh1 s PHE 86 N -2.00 2.41 -0.16 0.00 0.08 -0.36 -1.99 117.98 115.96 3gh1 s PHE 86 Ca 0.31 -0.36 0.01 0.00 0.12 0.00 0.00 56.93 57.00 3gh1 s PHE 86 Cb 0.14 -1.43 0.02 0.00 -0.57 0.00 0.00 43.02 41.18 3gh1 s PHE 86 CO 0.24 0.15 -0.15 0.08 -0.10 0.00 0.00 175.22 175.43 3gh1 s VAL 87 N -0.82 1.68 -1.48 -0.44 1.01 -0.06 -4.78 120.40 115.52 3gh1 s VAL 87 Ca 0.12 -0.72 -0.01 0.00 0.00 0.00 0.00 61.98 61.38 3gh1 s VAL 87 Cb -0.10 -1.57 0.01 0.00 0.00 0.00 0.00 36.38 34.71 3gh1 s VAL 87 CO 0.03 0.47 0.26 0.47 0.00 0.00 0.00 175.10 176.33 3gh1 n ASP 88 N 4.74 0.11 -0.21 3.32 8.00 -1.26 -1.22 116.55 130.02 3gh1 n ASP 88 Ca -0.18 -1.12 -0.03 0.00 0.71 0.00 0.00 54.79 54.18 3gh1 n ASP 88 Cb 0.50 -2.45 -0.01 0.00 -0.02 0.00 0.00 41.12 39.13 3gh1 n ASP 88 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gh1 n GLY 89 N -2.20 0.57 3.17 0.44 0.00 -1.26 -5.02 105.19 100.89 3gh1 n GLY 89 Ca -0.30 -0.31 -0.24 0.00 0.00 0.00 0.00 46.02 45.17 3gh1 n GLY 89 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gh1 s GLN 90 N -1.43 1.27 0.18 1.61 -1.52 -0.36 -5.09 119.66 114.32 3gh1 s GLN 90 Ca 0.00 -0.70 -0.30 0.00 -1.95 0.00 0.00 55.36 52.41 3gh1 s GLN 90 Cb 0.00 -1.27 -0.08 0.00 -0.22 0.00 0.00 33.01 31.44 3gh1 s GLN 90 CO 0.00 0.34 1.20 0.42 -0.25 0.00 0.00 175.29 177.00 3gh1 s ILE 91 N -0.57 3.55 0.34 1.08 1.01 -1.26 -0.88 121.20 124.48 3gh1 s ILE 91 Ca 0.06 1.30 -0.28 0.00 0.00 0.00 0.00 60.65 61.72 3gh1 s ILE 91 Cb -0.07 -3.83 -0.12 0.00 0.01 0.00 0.00 42.46 38.45 3gh1 s ILE 91 CO 0.00 0.21 1.36 -0.38 0.00 0.00 0.00 174.94 176.13 3gh1 n ILE 92 N 2.53 1.86 0.01 2.92 5.41 -0.84 -4.78 119.36 126.47 3gh1 n ILE 92 Ca 0.04 -0.47 -0.04 0.00 1.00 0.00 0.00 62.75 63.29 3gh1 n ILE 92 Cb 0.45 -1.67 0.18 0.00 -0.71 0.00 0.00 39.64 37.89 3gh1 n ILE 92 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 3gh1 h LYS 93 N 2.88 0.51 -0.87 0.38 1.57 -1.93 -2.03 116.57 117.08 3gh1 h LYS 93 Ca -0.47 -0.20 -0.02 0.00 -1.87 0.00 0.00 60.65 58.10 3gh1 h LYS 93 Cb 1.27 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 33.51 3gh1 h LYS 93 CO 0.65 0.73 0.48 0.78 -0.57 0.00 0.00 179.45 181.52 3gh1 h GLY 94 N 1.02 1.30 0.96 3.86 0.00 -1.90 -0.43 103.07 107.88 3gh1 h GLY 94 Ca 0.06 -0.58 -0.08 0.00 0.00 0.00 0.00 47.33 46.74 3gh1 h GLY 94 CO 0.05 0.56 -0.05 -2.22 0.00 0.00 0.00 176.54 174.88 3gh1 h ILE 95 N 1.22 1.27 -0.53 2.60 2.04 -1.66 -1.51 117.51 120.94 3gh1 h ILE 95 Ca 0.31 -1.10 0.11 0.00 1.00 0.00 0.00 64.86 65.17 3gh1 h ILE 95 Cb 0.02 1.19 -0.10 0.00 -0.74 0.00 0.00 36.82 37.18 3gh1 h ILE 95 CO -0.05 0.37 -0.14 1.56 0.00 0.00 0.00 178.15 179.89 3gh1 h GLN 96 N 0.54 -0.01 -0.80 2.37 4.20 -1.06 -1.44 115.11 118.91 3gh1 h GLN 96 Ca 0.11 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.79 3gh1 h GLN 96 Cb 0.55 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.29 3gh1 h GLN 96 CO 0.03 -0.00 0.41 0.93 -0.67 0.00 0.00 178.83 179.52 3gh1 h GLU 97 N -0.01 1.14 -0.33 1.46 5.08 -0.87 -2.70 114.58 118.36 3gh1 h GLU 97 Ca 0.25 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 3gh1 h GLU 97 Cb 0.39 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 3gh1 h GLU 97 CO -0.55 0.86 0.15 0.45 -1.00 0.00 0.00 179.01 178.92 3gh1 h HIS 98 N 1.12 0.45 -0.77 4.33 3.86 -0.85 -0.92 115.15 122.37 3gh1 h HIS 98 Ca 0.28 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.48 3gh1 h HIS 98 Cb 0.08 -0.14 -0.04 0.00 1.06 0.00 0.00 27.41 28.37 3gh1 h HIS 98 CO 0.01 0.34 0.49 -0.07 0.86 0.00 0.00 177.93 179.56 3gh1 h LEU 99 N 0.46 0.90 -0.32 2.43 3.38 -0.94 -1.00 115.31 120.22 3gh1 h LEU 99 Ca 0.12 -0.03 -0.19 0.00 0.09 0.00 0.00 57.88 57.86 3gh1 h LEU 99 Cb 0.07 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 3gh1 h LEU 99 CO -0.01 0.66 -0.84 -0.26 0.09 0.00 0.00 178.44 178.08 3gh1 h PHE 100 N 1.05 0.33 -0.64 1.13 0.04 -1.30 -2.62 116.94 114.92 3gh1 h PHE 100 Ca 0.28 -0.17 -0.06 0.00 2.80 0.00 0.00 57.97 60.81 3gh1 h PHE 100 Cb -0.09 -0.04 -0.03 0.00 2.20 0.00 0.00 35.95 37.99 3gh1 h PHE 100 CO 0.00 0.97 0.15 0.77 -0.60 0.00 0.00 178.31 179.60 3gh1 h SER 101 N 0.13 0.98 0.23 2.17 0.02 -0.87 -0.34 113.55 115.87 3gh1 h SER 101 Ca -0.04 -0.24 -0.00 0.00 -0.84 0.00 0.00 61.79 60.67 3gh1 h SER 101 Cb 1.46 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 63.73 3gh1 h SER 101 CO 0.13 0.96 -0.17 0.58 -1.14 0.00 0.00 176.83 177.19 3gh1 h VAL 102 N 0.95 0.62 -0.15 2.27 2.07 -1.14 -1.53 116.25 119.35 3gh1 h VAL 102 Ca 0.20 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.77 3gh1 h VAL 102 Cb 0.37 0.62 -0.05 0.00 -1.52 0.00 0.00 31.29 30.71 3gh1 h VAL 102 CO 0.00 0.00 -0.16 0.25 0.02 0.00 0.00 177.57 177.69 3gh1 h LEU 103 N -0.41 -0.49 -0.48 2.57 5.85 -1.33 0.36 115.31 121.36 3gh1 h LEU 103 Ca -0.01 0.09 0.10 0.00 0.84 0.00 0.00 57.88 58.90 3gh1 h LEU 103 Cb 0.36 0.24 -0.09 0.00 0.37 0.00 0.00 40.66 41.54 3gh1 h LEU 103 CO -0.00 -0.20 -0.12 -0.09 -0.34 0.00 0.00 178.44 177.68 3gh1 h ARG 104 N -0.19 0.00 -0.06 1.25 2.43 -0.99 -1.05 114.38 115.77 3gh1 h ARG 104 Ca 0.10 -0.00 -0.24 0.00 -0.81 0.00 0.00 59.98 59.03 3gh1 h ARG 104 Cb 0.34 -0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.90 3gh1 h ARG 104 CO -0.26 0.00 -0.92 -0.44 -1.51 0.00 0.00 179.97 176.84 3gh1 h ASP 105 N 0.00 0.86 -0.35 -3.80 3.32 -1.08 -1.80 116.42 113.58 3gh1 h ASP 105 Ca 0.23 -0.63 0.02 0.00 0.02 0.00 0.00 57.03 56.67 3gh1 h ASP 105 Cb 0.35 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.62 3gh1 h ASP 105 CO -0.50 1.43 0.17 0.40 -1.72 0.00 0.00 179.24 179.03 3gh1 h ILE 106 N 0.43 0.99 -0.47 0.35 1.08 -0.80 -2.34 117.51 116.74 3gh1 h ILE 106 Ca -0.09 -0.12 0.02 0.00 -0.39 0.00 0.00 64.86 64.28 3gh1 h ILE 106 Cb 1.55 0.60 -0.03 0.00 -3.07 0.00 0.00 36.82 35.87 3gh1 h ILE 106 CO 0.18 0.07 0.28 0.58 -0.69 0.00 0.00 178.15 178.56 3gh1 h VAL 107 N 0.36 1.04 -0.19 1.67 2.07 -1.18 -2.62 116.25 117.40 3gh1 h VAL 107 Ca 0.15 -0.19 -0.04 0.00 0.82 0.00 0.00 66.70 67.43 3gh1 h VAL 107 Cb 0.05 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 3gh1 h VAL 107 CO -0.10 0.10 -0.05 0.22 0.02 0.00 0.00 177.57 177.76 3gh1 h TYR 108 N 0.55 0.41 -0.92 1.57 3.20 -1.19 -3.07 116.97 117.52 3gh1 h TYR 108 Ca 0.19 -0.09 0.00 0.00 3.14 0.00 0.00 58.73 61.97 3gh1 h TYR 108 Cb 0.02 -0.10 -0.04 0.00 1.54 0.00 0.00 36.73 38.15 3gh1 h TYR 108 CO -0.07 0.63 0.58 0.28 -1.64 0.00 0.00 178.16 177.94 3gh1 h VAL 109 N 0.08 1.24 0.00 1.81 2.07 -1.43 -2.48 116.25 117.54 3gh1 h VAL 109 Ca 0.05 -0.49 0.00 0.00 0.82 0.00 0.00 66.70 67.07 3gh1 h VAL 109 Cb 0.50 -0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.19 3gh1 h VAL 109 CO 0.02 0.25 0.00 -3.20 0.02 0.00 0.00 177.57 174.66 3gh1 n ASN 110 N -4.37 1.28 -0.82 0.57 5.15 -0.99 -3.85 115.26 112.23 3gh1 n ASN 110 Ca 0.10 -0.94 0.00 0.00 -0.60 0.00 0.00 54.58 53.15 3gh1 n ASN 110 Cb 0.04 -0.24 0.00 0.00 -0.53 0.00 0.00 39.78 39.05 3gh1 n ASN 110 CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 3gh1 n HIS 112 N 1.15 0.00 0.04 1.20 8.25 -0.94 -5.00 115.22 119.92 3gh1 n HIS 112 Ca 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.42 3gh1 n HIS 112 Cb 0.17 0.00 0.19 0.00 1.12 0.00 0.00 29.99 31.47 3gh1 n HIS 112 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3gh1 h LEU 113 N 0.18 0.41 -8.91 2.41 3.38 -1.89 -3.52 115.31 107.37 3gh1 h LEU 113 Ca 0.00 -0.16 -0.69 0.00 0.09 0.00 0.00 57.88 57.12 3gh1 h LEU 113 Cb 0.00 -0.11 -0.23 0.00 0.09 0.00 0.00 40.66 40.40 3gh1 h LEU 113 CO 0.00 0.74 -0.78 0.00 0.09 0.00 0.00 178.44 178.50 3gh1 s ALA 114 N -4.28 2.65 0.39 1.53 0.00 -1.26 -5.27 121.76 115.51 3gh1 s ALA 114 Ca -0.06 -1.00 -0.18 0.00 0.00 0.00 0.00 51.96 50.72 3gh1 s ALA 114 Cb 0.13 -0.94 -0.14 0.00 0.00 0.00 0.00 23.12 22.18 3gh1 s ALA 114 CO 0.79 0.56 0.02 -2.37 0.00 0.00 0.00 175.76 174.76 3gh1 n THR 122 N 2.24 0.41 -0.22 0.00 5.66 -1.26 -5.15 114.28 115.96 3gh1 n THR 122 Ca -0.17 -0.45 -0.04 0.00 -3.05 0.00 0.00 64.05 60.34 3gh1 n THR 122 Cb 0.52 0.00 0.06 0.00 -1.55 0.00 0.00 70.33 69.36 3gh1 n THR 122 CO 0.00 0.00 0.00 -1.13 -3.05 0.00 0.00 175.07 170.89 3gh1 h ASN 123 N 0.20 0.63 -0.89 1.09 -1.24 -2.05 0.43 115.58 113.76 3gh1 h ASN 123 Ca -0.34 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 56.67 3gh1 h ASN 123 Cb 1.30 -0.14 -0.04 0.00 0.73 0.00 0.00 38.32 40.17 3gh1 h ASN 123 CO 0.41 0.44 0.55 0.00 -1.29 0.00 0.00 177.43 177.53 3gh1 h ALA 124 N 1.27 1.13 -0.07 1.57 0.00 -2.00 -1.11 119.26 120.04 3gh1 h ALA 124 Ca 0.25 -0.09 -0.19 0.00 0.00 0.00 0.00 54.91 54.88 3gh1 h ALA 124 Cb 0.01 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.44 3gh1 h ALA 124 CO -0.10 0.58 -0.75 1.15 0.00 0.00 0.00 179.25 180.14 3gh1 h THR 125 N 1.22 1.38 -0.60 0.00 2.02 -1.85 -2.61 112.91 112.47 3gh1 h THR 125 Ca 0.32 -2.16 -0.03 0.00 0.77 0.00 0.00 66.41 65.31 3gh1 h THR 125 Cb -0.07 2.13 -0.03 0.00 -1.74 0.00 0.00 68.15 68.45 3gh1 h THR 125 CO -0.06 0.65 0.25 -0.74 0.37 0.00 0.00 175.52 175.99 3gh1 h HIS 126 N 0.28 0.91 -0.14 3.16 6.17 -0.46 -1.91 115.15 123.16 3gh1 h HIS 126 Ca -0.03 -0.06 -0.00 0.00 0.71 0.00 0.00 60.37 60.98 3gh1 h HIS 126 Cb 1.33 -0.27 -0.01 0.00 2.52 0.00 0.00 27.41 30.98 3gh1 h HIS 126 CO 0.05 0.72 0.07 0.82 0.71 0.00 0.00 177.93 180.29 3gh1 h ILE 127 N 0.84 1.12 -0.45 6.26 2.04 -1.16 0.98 117.51 127.13 3gh1 h ILE 127 Ca 0.20 -0.34 -0.10 0.00 1.00 0.00 0.00 64.86 65.62 3gh1 h ILE 127 Cb 0.18 1.09 -0.02 0.00 -0.74 0.00 0.00 36.82 37.33 3gh1 h ILE 127 CO -0.02 0.11 -0.13 0.74 0.00 0.00 0.00 178.15 178.85 3gh1 h THR 128 N 0.10 1.26 -0.15 -0.27 2.02 -1.37 -1.22 112.91 113.29 3gh1 h THR 128 Ca 0.05 -1.23 -0.12 0.00 0.77 0.00 0.00 66.41 65.88 3gh1 h THR 128 Cb 0.11 1.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.56 3gh1 h THR 128 CO -0.01 0.42 -0.42 0.78 0.37 0.00 0.00 175.52 176.66 3gh1 h ASN 129 N 0.75 0.38 -0.33 4.18 2.35 -1.19 -1.21 115.58 120.52 3gh1 h ASN 129 Ca 0.12 -0.17 -0.02 0.00 -0.55 0.00 0.00 56.30 55.68 3gh1 h ASN 129 Cb 0.64 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.89 3gh1 h ASN 129 CO 0.04 0.76 0.13 0.25 -1.65 0.00 0.00 177.43 176.97 3gh1 h LEU 130 N 0.30 0.45 -0.50 1.61 5.85 -0.56 -0.01 115.31 122.45 3gh1 h LEU 130 Ca 0.02 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.58 3gh1 h LEU 130 Cb 0.87 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.76 3gh1 h LEU 130 CO 0.07 0.50 0.33 0.58 -0.34 0.00 0.00 178.44 179.58 3gh1 h VAL 131 N 0.38 1.13 -0.16 1.05 2.07 -0.78 0.38 116.25 120.33 3gh1 h VAL 131 Ca 0.11 -0.24 -0.00 0.00 0.82 0.00 0.00 66.70 67.39 3gh1 h VAL 131 Cb 0.19 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 3gh1 h VAL 131 CO -0.01 0.13 0.09 0.15 0.02 0.00 0.00 177.57 177.95 3gh1 h PHE 132 N 0.68 0.21 -0.49 1.57 3.57 -1.14 -1.99 116.94 119.35 3gh1 h PHE 132 Ca 0.18 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.68 3gh1 h PHE 132 Cb -0.07 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 38.57 3gh1 h PHE 132 CO -0.04 0.18 0.32 0.78 -2.23 0.00 0.00 178.31 177.32 3gh1 h GLY 133 N 0.17 0.70 0.87 2.40 0.00 -0.39 0.11 103.07 106.93 3gh1 h GLY 133 Ca 0.06 -0.27 0.01 0.00 0.00 0.00 0.00 47.33 47.12 3gh1 h GLY 133 CO -0.01 0.27 -0.02 -2.22 0.00 0.00 0.00 176.54 174.56 3gh1 h ILE 134 N 0.66 0.93 -0.80 2.60 2.04 -0.80 -0.60 117.51 121.55 3gh1 h ILE 134 Ca 0.18 -0.00 -0.04 0.00 1.00 0.00 0.00 64.86 66.00 3gh1 h ILE 134 Cb -0.05 0.93 -0.04 0.00 -0.74 0.00 0.00 36.82 36.92 3gh1 h ILE 134 CO -0.04 0.00 0.36 -0.07 0.00 0.00 0.00 178.15 178.40 3gh1 h LEU 135 N 0.00 1.06 -0.33 1.44 3.38 -1.04 -1.07 115.31 118.75 3gh1 h LEU 135 Ca 0.03 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 3gh1 h LEU 135 Cb 0.05 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 3gh1 h LEU 135 CO -0.07 0.91 0.15 -0.09 0.09 0.00 0.00 178.44 179.44 3gh1 h ARG 136 N 1.15 0.48 -0.72 1.13 2.43 -0.62 -0.51 114.38 117.72 3gh1 h ARG 136 Ca 0.27 -0.08 0.05 0.00 -0.81 0.00 0.00 59.98 59.42 3gh1 h ARG 136 Cb 0.15 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.57 3gh1 h ARG 136 CO -0.03 0.45 0.47 -0.97 -1.51 0.00 0.00 179.97 178.39 3gh1 h ASN 137 N 0.40 0.69 0.32 -3.80 -1.24 -0.87 -0.76 115.58 110.32 3gh1 h ASN 137 Ca 0.11 -0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.12 3gh1 h ASN 137 Cb 0.13 -0.15 0.00 0.00 0.73 0.00 0.00 38.32 39.03 3gh1 h ASN 137 CO -0.01 0.46 0.00 0.00 -1.29 0.00 0.00 177.43 176.58 3gh1 n ALA 138 N -2.44 2.18 -1.42 1.57 0.00 -0.43 -4.87 120.51 115.11 3gh1 n ALA 138 Ca 0.10 -0.11 -0.11 0.00 0.00 0.00 0.00 53.44 53.32 3gh1 n ALA 138 Cb 0.19 -1.36 -0.04 0.00 0.00 0.00 0.00 19.45 18.24 3gh1 n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gh1 n GLY 139 N 0.54 1.08 0.03 0.00 0.00 -0.29 -4.92 105.19 101.63 3gh1 n GLY 139 Ca 0.12 -0.52 0.13 0.00 0.00 0.00 0.00 46.02 45.75 3gh1 n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gh1 n ALA 140 N 0.90 2.97 -3.67 4.61 0.00 -0.24 -4.55 120.51 120.54 3gh1 n ALA 140 Ca -0.11 -0.25 -0.38 0.00 0.00 0.00 0.00 53.44 52.69 3gh1 n ALA 140 Cb 0.39 -1.28 -0.09 0.00 0.00 0.00 0.00 19.45 18.46 3gh1 n ALA 140 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3gh1 s LEU 141 N -2.89 5.48 -0.34 0.00 1.43 -1.25 -4.99 118.68 116.12 3gh1 s LEU 141 Ca 0.16 -2.29 -0.25 0.00 -1.03 0.00 0.00 54.13 50.73 3gh1 s LEU 141 Cb 0.19 -1.91 0.01 0.00 0.03 0.00 0.00 46.19 44.50 3gh1 s LEU 141 CO 0.59 -0.54 0.86 -0.63 0.23 0.00 0.00 176.35 176.86 3gh1 s ILE 142 N 0.78 4.68 0.23 -0.59 1.01 -1.26 -4.94 121.20 121.11 3gh1 s ILE 142 Ca 0.11 1.16 -0.07 0.00 0.00 0.00 0.00 60.65 61.84 3gh1 s ILE 142 Cb -0.22 -4.25 0.20 0.00 0.01 0.00 0.00 42.46 38.20 3gh1 s ILE 142 CO -0.03 -0.41 1.86 -0.65 0.00 0.00 0.00 174.94 175.71 3gh1 h PRO 143 N 8.32 1.22 -0.02 2.79 0.11 -1.98 -2.96 132.00 139.49 3gh1 h PRO 143 Ca -0.24 -0.13 0.00 0.00 0.11 0.00 0.00 66.00 65.74 3gh1 h PRO 143 Cb 1.09 -0.25 0.00 0.00 0.11 0.00 0.00 31.00 31.95 3gh1 h PRO 143 CO 0.94 0.88 0.00 0.41 -0.21 0.00 0.00 178.00 180.01 3gh1 n GLY 144 N -1.17 -0.07 3.74 -0.55 0.00 -1.26 -4.86 105.19 101.03 3gh1 n GLY 144 Ca 0.09 -0.43 -0.41 0.00 0.00 0.00 0.00 46.02 45.27 3gh1 n GLY 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gh1 s ALA 145 N -2.00 3.56 0.46 4.61 0.00 -1.12 -5.00 121.76 122.28 3gh1 s ALA 145 Ca 0.39 1.19 -0.22 0.00 0.00 0.00 0.00 51.96 53.31 3gh1 s ALA 145 Cb 0.21 -3.51 -0.08 0.00 0.00 0.00 0.00 23.12 19.75 3gh1 s ALA 145 CO 0.34 -0.61 1.11 -0.08 0.00 0.00 0.00 175.76 176.52 3gh1 s THR 146 N 0.04 3.37 0.09 0.00 -1.32 -1.26 -4.76 115.64 111.80 3gh1 s THR 146 Ca 0.57 0.97 -0.35 0.00 -1.21 0.00 0.00 61.69 61.67 3gh1 s THR 146 Cb -0.38 -3.46 -0.15 0.00 -1.51 0.00 0.00 72.50 67.00 3gh1 s THR 146 CO 0.40 -0.07 1.55 -2.65 -2.21 0.00 0.00 174.62 171.64 3gh1 n PRO 147 N -0.62 1.81 -0.27 7.08 -0.02 -1.26 -4.82 135.00 136.90 3gh1 n PRO 147 Ca 0.08 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 3gh1 n PRO 147 Cb 0.50 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 3gh1 n PRO 147 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 3gh1 n ASN 148 N 3.60 0.00 -4.54 2.55 6.94 -1.26 -4.99 115.26 117.56 3gh1 n ASN 148 Ca 0.18 -0.63 -0.41 0.00 -0.02 0.00 0.00 54.58 53.71 3gh1 n ASN 148 Cb 0.25 0.00 -0.09 0.00 -2.36 0.00 0.00 39.78 37.58 3gh1 n ASN 148 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 3gh1 s LEU 149 N 0.00 4.47 -0.24 -4.53 2.96 -1.26 -0.11 118.68 119.96 3gh1 s LEU 149 Ca 0.00 -0.26 -0.08 0.00 -0.22 0.00 0.00 54.13 53.57 3gh1 s LEU 149 Cb 0.00 -2.34 -0.03 0.00 0.50 0.00 0.00 46.19 44.31 3gh1 s LEU 149 CO 0.00 -0.35 0.08 -0.69 -1.32 0.00 0.00 176.35 174.07 3gh1 s VAL 150 N 2.02 4.49 -0.03 1.68 1.01 -0.47 -0.50 120.40 128.60 3gh1 s VAL 150 Ca 0.12 -0.12 -0.25 0.00 0.00 0.00 0.00 61.98 61.73 3gh1 s VAL 150 Cb -0.17 -3.09 -0.04 0.00 0.00 0.00 0.00 36.38 33.08 3gh1 s VAL 150 CO 0.12 0.35 0.77 -0.69 0.00 0.00 0.00 175.10 175.64 3gh1 s VAL 151 N 1.43 4.95 -0.14 2.92 1.01 -0.30 -1.05 120.40 129.23 3gh1 s VAL 151 Ca 0.06 1.60 -0.00 0.00 0.00 0.00 0.00 61.98 63.63 3gh1 s VAL 151 Cb -0.15 -4.11 -0.01 0.00 0.00 0.00 0.00 36.38 32.11 3gh1 s VAL 151 CO 0.04 0.26 -0.13 0.00 0.00 0.00 0.00 175.10 175.26 3gh1 s TRP 153 N 0.51 2.02 0.00 0.00 0.51 -0.40 -4.32 118.94 117.26 3gh1 s TRP 153 Ca -0.09 -0.40 0.00 0.00 -2.12 0.00 0.00 56.10 53.49 3gh1 s TRP 153 Cb -0.16 -1.12 0.00 0.00 -0.81 0.00 0.00 33.47 31.39 3gh1 s TRP 153 CO 0.04 0.24 0.00 0.41 -0.51 0.00 0.00 176.95 177.13 3gh1 n GLY 154 N 1.13 0.12 3.77 0.98 0.00 -1.26 -0.16 105.19 109.78 3gh1 n GLY 154 Ca -0.19 -1.03 -0.41 0.00 0.00 0.00 0.00 46.02 44.40 3gh1 n GLY 154 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gh1 s GLY 155 N 0.00 2.95 0.46 -0.02 0.00 -0.26 -4.70 107.32 105.76 3gh1 s GLY 155 Ca 0.00 1.46 0.25 0.00 0.00 0.00 0.00 44.72 46.43 3gh1 s GLY 155 CO 0.00 2.12 1.71 1.12 0.00 0.00 0.00 173.10 178.05 3gh1 h HIS 156 N 2.97 0.00 -3.42 1.90 2.07 -1.90 -0.38 115.15 116.39 3gh1 h HIS 156 Ca -0.50 0.00 -0.64 0.00 -2.85 0.00 0.00 60.37 56.38 3gh1 h HIS 156 Cb 1.24 0.00 -0.40 0.00 2.57 0.00 0.00 27.41 30.82 3gh1 h HIS 156 CO 0.53 0.05 -0.70 0.45 -3.07 0.00 0.00 177.93 175.20 3gh1 s SER 157 N -6.09 4.37 0.07 3.10 0.15 -1.26 -3.20 113.70 110.83 3gh1 s SER 157 Ca 0.05 -2.45 0.03 0.00 0.70 0.00 0.00 55.95 54.28 3gh1 s SER 157 Cb 0.07 -1.45 -0.03 0.00 -1.71 0.00 0.00 66.02 62.89 3gh1 s SER 157 CO 0.64 -0.32 -0.09 0.27 1.20 0.00 0.00 173.24 174.95 3gh1 s ILE 158 N 0.51 0.72 0.98 6.45 -4.36 -1.26 -4.44 121.20 119.79 3gh1 s ILE 158 Ca 0.14 -1.40 -0.16 0.00 -0.26 0.00 0.00 60.65 58.97 3gh1 s ILE 158 Cb -0.22 -1.04 0.22 0.00 1.25 0.00 0.00 42.46 42.67 3gh1 s ILE 158 CO -0.06 -0.51 1.33 0.54 0.24 0.00 0.00 174.94 176.48 3gh1 s ASN 159 N -2.09 2.92 0.21 4.36 2.20 -1.26 -4.78 114.94 116.49 3gh1 s ASN 159 Ca -0.01 0.12 -0.03 0.00 -0.94 0.00 0.00 52.86 52.01 3gh1 s ASN 159 Cb -0.05 -0.10 0.17 0.00 -2.00 0.00 0.00 41.25 39.27 3gh1 s ASN 159 CO -0.01 -2.85 1.56 -0.08 -2.94 0.00 0.00 177.10 172.79 3gh1 h GLU 160 N -1.69 0.59 -0.42 3.55 4.57 -2.02 -0.34 114.58 118.82 3gh1 h GLU 160 Ca -0.44 -0.32 -0.04 0.00 -1.18 0.00 0.00 59.36 57.39 3gh1 h GLU 160 Cb 1.22 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.80 3gh1 h GLU 160 CO 0.33 0.91 0.12 0.28 -1.18 0.00 0.00 179.01 179.47 3gh1 h VAL 161 N 0.48 1.22 -0.43 0.32 2.07 -1.99 0.16 116.25 118.08 3gh1 h VAL 161 Ca 0.03 -0.75 -0.08 0.00 0.82 0.00 0.00 66.70 66.72 3gh1 h VAL 161 Cb 0.96 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 3gh1 h VAL 161 CO 0.09 0.27 -0.06 -0.33 0.02 0.00 0.00 177.57 177.55 3gh1 h GLU 162 N 0.55 0.74 -0.05 1.57 5.08 -1.88 -1.87 114.58 118.72 3gh1 h GLU 162 Ca 0.14 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 3gh1 h GLU 162 Cb 0.28 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 3gh1 h GLU 162 CO -0.00 0.79 -0.00 -0.92 -1.00 0.00 0.00 179.01 177.87 3gh1 h TYR 163 N 0.68 0.10 -0.78 4.33 3.20 -0.79 -0.81 116.97 122.90 3gh1 h TYR 163 Ca 0.13 -0.02 0.12 0.00 3.14 0.00 0.00 58.73 62.10 3gh1 h TYR 163 Cb 0.50 -0.03 -0.09 0.00 1.54 0.00 0.00 36.73 38.66 3gh1 h TYR 163 CO 0.02 0.39 0.38 0.37 -1.64 0.00 0.00 178.16 177.69 3gh1 h GLN 164 N -0.22 0.56 -0.54 1.82 5.75 -0.91 -1.11 115.11 120.45 3gh1 h GLN 164 Ca 0.01 -0.03 -0.08 0.00 -0.15 0.00 0.00 58.65 58.40 3gh1 h GLN 164 Cb 0.36 -0.13 -0.02 0.00 1.07 0.00 0.00 27.48 28.76 3gh1 h GLN 164 CO 0.00 0.37 0.02 -0.92 -2.65 0.00 0.00 178.83 175.66 3gh1 h TYR 165 N 0.58 1.02 -0.49 3.99 3.20 -0.99 -0.95 116.97 123.34 3gh1 h TYR 165 Ca 0.41 -0.17 -0.03 0.00 3.14 0.00 0.00 58.73 62.08 3gh1 h TYR 165 Cb 0.54 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 38.51 3gh1 h TYR 165 CO -0.11 0.93 0.17 1.79 -1.64 0.00 0.00 178.16 179.30 3gh1 h THR 166 N 0.83 1.19 -0.60 1.81 1.35 -0.15 -1.78 112.91 115.56 3gh1 h THR 166 Ca 0.16 -0.62 -0.07 0.00 -0.55 0.00 0.00 66.41 65.33 3gh1 h THR 166 Cb 0.50 0.63 -0.02 0.00 -1.73 0.00 0.00 68.15 67.53 3gh1 h THR 166 CO 0.02 0.24 0.08 -0.09 -0.25 0.00 0.00 175.52 175.52 3gh1 h ARG 167 N 0.70 0.97 -0.59 4.72 2.43 -0.82 -1.60 114.38 120.18 3gh1 h ARG 167 Ca 0.17 -0.25 -0.07 0.00 -0.81 0.00 0.00 59.98 59.01 3gh1 h ARG 167 Cb 0.17 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.58 3gh1 h ARG 167 CO -0.01 0.91 0.08 0.93 -1.51 0.00 0.00 179.97 180.37 3gh1 h GLU 168 N 0.91 0.97 -0.47 0.20 5.08 -0.70 -1.73 114.58 118.84 3gh1 h GLU 168 Ca 0.18 -0.25 -0.07 0.00 -1.00 0.00 0.00 59.36 58.22 3gh1 h GLU 168 Cb 0.42 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 3gh1 h GLU 168 CO 0.01 0.90 0.01 0.28 -1.00 0.00 0.00 179.01 179.21 3gh1 h VAL 169 N 0.91 1.26 -0.83 3.13 2.07 -1.13 -1.42 116.25 120.24 3gh1 h VAL 169 Ca 0.18 -1.05 0.07 0.00 0.82 0.00 0.00 66.70 66.72 3gh1 h VAL 169 Cb 0.42 1.01 -0.06 0.00 -1.52 0.00 0.00 31.29 31.13 3gh1 h VAL 169 CO 0.01 0.36 0.50 1.23 0.02 0.00 0.00 177.57 179.70 3gh1 h GLY 170 N 0.68 1.25 0.95 2.17 0.00 -1.05 0.74 103.07 107.81 3gh1 h GLY 170 Ca 0.13 -0.36 -0.05 0.00 0.00 0.00 0.00 47.33 47.06 3gh1 h GLY 170 CO 0.02 0.23 0.10 0.84 0.00 0.00 0.00 176.54 177.73 3gh1 h HIS 171 N 0.91 0.75 0.00 5.60 6.17 -1.03 0.17 115.15 127.72 3gh1 h HIS 171 Ca 0.37 -0.09 -0.09 0.00 0.71 0.00 0.00 60.37 61.27 3gh1 h HIS 171 Cb 0.20 -0.21 -0.01 0.00 2.52 0.00 0.00 27.41 29.91 3gh1 h HIS 171 CO -0.04 0.70 -0.42 0.93 0.71 0.00 0.00 177.93 179.81 3gh1 h GLU 172 N 0.58 0.00 -0.18 5.26 4.39 -0.42 -1.11 114.58 123.10 3gh1 h GLU 172 Ca 0.14 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.73 3gh1 h GLU 172 Cb 0.33 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.98 3gh1 h GLU 172 CO 0.00 0.42 -0.31 -0.07 -1.16 0.00 0.00 179.01 177.89 3gh1 h LEU 173 N 0.00 0.59 -0.55 1.33 3.38 -0.43 -3.10 115.31 116.53 3gh1 h LEU 173 Ca -0.00 -0.54 0.05 0.00 0.09 0.00 0.00 57.88 57.49 3gh1 h LEU 173 Cb 0.75 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 41.28 3gh1 h LEU 173 CO 0.05 1.01 0.27 1.23 0.09 0.00 0.00 178.44 181.09 3gh1 h GLY 174 N 0.19 0.77 1.54 0.83 0.00 -0.42 -0.87 103.07 105.11 3gh1 h GLY 174 Ca 0.01 -0.18 0.04 0.00 0.00 0.00 0.00 47.33 47.20 3gh1 h GLY 174 CO 0.07 0.10 0.20 1.41 0.00 0.00 0.00 176.54 178.31 3gh1 h LEU 175 N 0.51 0.00 -3.18 3.11 3.38 -1.22 -2.03 115.31 115.88 3gh1 h LEU 175 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 3gh1 h LEU 175 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 3gh1 h LEU 175 CO -0.19 0.00 0.00 0.54 0.09 0.00 0.00 178.44 178.88 3gh1 n ARG 176 N -3.51 3.42 -3.30 1.13 1.74 -0.43 -4.94 116.66 110.76 3gh1 n ARG 176 Ca 0.00 -2.73 -0.23 0.00 -0.77 0.00 0.00 57.85 54.12 3gh1 n ARG 176 Cb 0.30 -1.79 0.05 0.00 -1.02 0.00 0.00 32.46 30.01 3gh1 n ARG 176 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3gh1 n GLU 177 N 0.38 -6.30 -3.87 5.56 1.02 -0.76 -4.99 120.64 111.68 3gh1 n GLU 177 Ca 0.21 0.87 -0.32 0.00 -0.02 0.00 0.00 57.16 57.90 3gh1 n GLU 177 Cb 0.83 -5.82 -0.04 0.00 -0.02 0.00 0.00 31.44 26.38 3gh1 n GLU 177 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3gh1 s LEU 178 N -6.99 4.35 0.37 -4.62 1.43 -0.61 -4.95 118.68 107.67 3gh1 s LEU 178 Ca 0.44 0.36 0.06 0.00 -1.03 0.00 0.00 54.13 53.96 3gh1 s LEU 178 Cb -0.20 -2.87 -0.00 0.00 0.03 0.00 0.00 46.19 43.15 3gh1 s LEU 178 CO 0.55 0.19 0.52 0.20 0.23 0.00 0.00 176.35 178.04 3gh1 s ASN 179 N -2.25 5.88 -0.10 2.29 0.01 0.84 -4.47 114.94 117.14 3gh1 s ASN 179 Ca 0.33 -0.15 0.03 0.00 -0.71 0.00 0.00 52.86 52.35 3gh1 s ASN 179 Cb -0.13 -1.17 0.01 0.00 0.41 0.00 0.00 41.25 40.37 3gh1 s ASN 179 CO 0.24 -0.54 -0.18 -0.63 -1.51 0.00 0.00 177.10 174.47 3gh1 s ILE 180 N -2.27 1.66 -0.07 0.60 1.01 -1.03 -1.37 121.20 119.73 3gh1 s ILE 180 Ca 0.47 -0.76 0.04 0.00 0.00 0.00 0.00 60.65 60.40 3gh1 s ILE 180 Cb -0.10 -1.48 -0.02 0.00 0.01 0.00 0.00 42.46 40.87 3gh1 s ILE 180 CO 0.33 0.47 -0.19 0.00 0.00 0.00 0.00 174.94 175.55 3gh1 s THR 182 N -0.22 0.00 0.20 0.00 -1.32 0.33 -0.61 115.64 114.02 3gh1 s THR 182 Ca -0.01 -1.09 -0.03 0.00 -1.21 0.00 0.00 61.69 59.35 3gh1 s THR 182 Cb -0.13 -2.79 0.05 0.00 -1.51 0.00 0.00 72.50 68.12 3gh1 s THR 182 CO 0.03 0.00 0.19 0.61 -2.21 0.00 0.00 174.62 173.25 3gh1 n GLY 183 N -0.53 -2.23 3.83 6.08 0.00 -1.26 -0.15 105.19 110.92 3gh1 n GLY 183 Ca -0.07 -1.50 -0.22 0.00 0.00 0.00 0.00 46.02 44.24 3gh1 n GLY 183 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gh1 n GLY 185 N -1.32 -0.44 0.00 0.00 0.00 -0.62 -4.74 105.19 98.07 3gh1 n GLY 185 Ca -0.02 -2.20 0.00 0.00 0.00 0.00 0.00 46.02 43.80 3gh1 n GLY 185 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3gh1 n PRO 186 N 0.00 1.94 0.00 1.61 -0.04 -1.26 -4.06 135.00 133.18 3gh1 n PRO 186 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 3gh1 n PRO 186 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 3gh1 n PRO 186 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3gh1 n GLY 187 N 5.00 3.48 2.53 0.55 0.00 -1.19 -4.12 105.19 111.43 3gh1 n GLY 187 Ca 0.00 -0.10 -0.10 0.00 0.00 0.00 0.00 46.02 45.82 3gh1 n GLY 187 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gh1 n ALA 188 N 11.36 3.36 0.00 4.61 0.00 -0.15 -1.32 120.51 138.36 3gh1 n ALA 188 Ca 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 53.44 52.37 3gh1 n ALA 188 Cb 0.00 -2.58 0.00 0.00 0.00 0.00 0.00 19.45 16.87 3gh1 n ALA 188 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3gh1 n GLU 190 N 3.67 0.00 -0.03 0.00 0.28 -1.26 -4.38 120.64 118.93 3gh1 n GLU 190 Ca 0.24 0.00 -0.10 0.00 -0.16 0.00 0.00 57.16 57.14 3gh1 n GLU 190 Cb 0.22 0.00 -0.04 0.00 1.43 0.00 0.00 31.44 33.05 3gh1 n GLU 190 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 3gh1 h GLY 191 N 0.00 -0.43 -2.57 -1.84 0.00 -1.53 -2.75 103.07 93.95 3gh1 h GLY 191 Ca 0.00 0.42 0.00 0.00 0.00 0.00 0.00 47.33 47.75 3gh1 h GLY 191 CO 0.00 -0.22 0.00 -1.05 0.00 0.00 0.00 176.54 175.27 3gh1 n PRO 192 N -5.41 0.00 0.00 4.80 -0.02 -1.23 -1.81 135.00 131.32 3gh1 n PRO 192 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.46 3gh1 n PRO 192 Cb 0.33 -1.41 0.00 0.00 -0.02 0.00 0.00 33.50 32.40 3gh1 n PRO 192 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3gh1 n LYS 194 N 1.19 0.00 -0.15 -0.52 5.02 -1.04 -0.72 118.16 121.94 3gh1 n LYS 194 Ca 0.00 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.19 3gh1 n LYS 194 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.00 3gh1 n LYS 194 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 3gh1 h GLY 195 N 0.00 0.76 1.68 0.72 0.00 -1.51 -3.19 103.07 101.53 3gh1 h GLY 195 Ca 0.00 -0.50 -0.09 0.00 0.00 0.00 0.00 47.33 46.74 3gh1 h GLY 195 CO 0.00 0.46 -0.26 0.00 0.00 0.00 0.00 176.54 176.74 3gh1 h ALA 196 N 0.94 1.19 -0.97 3.60 0.00 -0.83 -1.33 119.26 121.85 3gh1 h ALA 196 Ca 0.13 -0.33 0.12 0.00 0.00 0.00 0.00 54.91 54.83 3gh1 h ALA 196 Cb 0.36 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 17.96 3gh1 h ALA 196 CO 0.01 0.53 0.60 0.00 0.00 0.00 0.00 179.25 180.38 3gh1 h ALA 197 N 1.40 1.45 -0.05 0.00 0.00 -1.80 0.34 119.26 120.59 3gh1 h ALA 197 Ca 0.05 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 3gh1 h ALA 197 Cb 0.64 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3gh1 h ALA 197 CO 0.05 0.19 -0.10 0.28 0.00 0.00 0.00 179.25 179.67 3gh1 h VAL 198 N 0.94 1.42 -0.64 0.00 2.07 -1.43 -2.63 116.25 115.98 3gh1 h VAL 198 Ca 0.48 -1.39 -0.08 0.00 0.82 0.00 0.00 66.70 66.54 3gh1 h VAL 198 Cb 0.49 2.21 -0.03 0.00 -1.52 0.00 0.00 31.29 32.44 3gh1 h VAL 198 CO -0.27 0.38 0.10 1.23 0.02 0.00 0.00 177.57 179.03 3gh1 h GLY 199 N -0.34 1.13 1.32 2.17 0.00 -0.71 -1.56 103.07 105.08 3gh1 h GLY 199 Ca 0.00 -0.75 -0.13 0.00 0.00 0.00 0.00 47.33 46.46 3gh1 h GLY 199 CO 0.02 0.69 -0.28 0.45 0.00 0.00 0.00 176.54 177.43 3gh1 h HIS 200 N 0.98 0.89 -0.61 5.60 3.86 -0.45 -1.85 115.15 123.57 3gh1 h HIS 200 Ca 0.20 -0.22 -0.05 0.00 -1.16 0.00 0.00 60.37 59.14 3gh1 h HIS 200 Cb 0.43 -0.20 -0.03 0.00 1.06 0.00 0.00 27.41 28.67 3gh1 h HIS 200 CO 0.03 0.96 0.19 0.00 0.86 0.00 0.00 177.93 179.97 3gh1 h ALA 201 N 1.03 1.20 -0.29 2.45 0.00 -1.14 0.34 119.26 122.84 3gh1 h ALA 201 Ca 0.08 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 3gh1 h ALA 201 Cb 0.80 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 3gh1 h ALA 201 CO 0.07 0.56 -0.03 0.87 0.00 0.00 0.00 179.25 180.72 3gh1 h LYS 202 N 0.89 0.45 -0.09 0.00 1.57 -0.96 -2.16 116.57 116.27 3gh1 h LYS 202 Ca 0.20 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 3gh1 h LYS 202 Cb 0.25 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.49 3gh1 h LYS 202 CO -0.01 0.50 0.00 0.94 -0.57 0.00 0.00 179.45 180.31 3gh1 n GLN 203 N -4.28 1.86 -3.21 3.15 -0.06 -0.73 -4.96 117.38 109.15 3gh1 n GLN 203 Ca 0.01 -1.27 -0.22 0.00 -2.00 0.00 0.00 57.00 53.52 3gh1 n GLN 203 Cb 0.25 -1.46 0.01 0.00 -4.06 0.00 0.00 30.24 24.98 3gh1 n GLN 203 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 3gh1 n ARG 204 N 0.52 -3.69 -2.92 3.69 5.12 -0.24 -4.91 116.66 114.24 3gh1 n ARG 204 Ca 0.17 0.59 -0.44 0.00 -1.93 0.00 0.00 57.85 56.25 3gh1 n ARG 204 Cb 0.41 -5.33 -0.01 0.00 -1.16 0.00 0.00 32.46 26.38 3gh1 n ARG 204 CO 0.00 0.00 0.00 -0.47 -1.93 0.00 0.00 177.63 175.23 3gh1 s TYR 205 N -2.97 3.38 -0.64 -1.55 5.04 0.10 -4.80 117.35 115.92 3gh1 s TYR 205 Ca 0.35 -1.96 0.25 0.00 -2.44 0.00 0.00 57.07 53.27 3gh1 s TYR 205 Cb -0.18 -4.34 0.86 0.00 0.35 0.00 0.00 41.96 38.65 3gh1 s TYR 205 CO 0.43 -1.45 1.76 -1.13 -1.34 0.00 0.00 175.55 173.82 3gh1 n SER 206 N 6.02 0.80 -1.26 4.32 3.41 -1.26 -2.98 113.62 122.67 3gh1 n SER 206 Ca 0.35 0.61 -0.03 0.00 -0.26 0.00 0.00 58.87 59.54 3gh1 n SER 206 Cb 0.44 -0.81 0.13 0.00 -0.26 0.00 0.00 64.21 63.70 3gh1 n SER 206 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 3gh1 n GLU 207 N -2.29 2.12 -1.70 4.33 0.00 -1.26 -4.97 120.64 116.86 3gh1 n GLU 207 Ca 0.04 -1.26 -0.38 0.00 0.00 0.00 0.00 57.16 55.56 3gh1 n GLU 207 Cb 0.37 -1.67 0.06 0.00 0.00 0.00 0.00 31.44 30.20 3gh1 n GLU 207 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.13 179.61 3gh1 n TYR 208 N 0.07 1.74 -4.23 -1.84 0.18 -1.16 -5.02 117.16 106.90 3gh1 n TYR 208 Ca 0.17 0.43 -0.27 0.00 1.88 0.00 0.00 57.90 60.11 3gh1 n TYR 208 Cb 0.79 -2.26 -0.17 0.00 -0.38 0.00 0.00 39.34 37.32 3gh1 n TYR 208 CO 0.00 0.00 0.00 1.03 -2.08 0.00 0.00 176.86 175.81 3gh1 s ARG 209 N -3.03 1.85 -0.45 -3.48 0.52 -1.26 -5.04 118.95 108.04 3gh1 s ARG 209 Ca 0.77 -0.41 0.04 0.00 -0.52 0.00 0.00 55.73 55.61 3gh1 s ARG 209 Cb -0.41 -1.68 0.12 0.00 0.52 0.00 0.00 34.95 33.50 3gh1 s ARG 209 CO 0.45 -0.14 0.19 0.71 0.02 0.00 0.00 175.30 176.53 3gh1 s TYR 210 N 1.23 3.42 -0.07 -0.53 2.02 -1.26 -2.45 117.35 119.71 3gh1 s TYR 210 Ca -0.03 -3.08 -0.14 0.00 -0.37 0.00 0.00 57.07 53.45 3gh1 s TYR 210 Cb -0.14 -2.89 -0.05 0.00 -0.40 0.00 0.00 41.96 38.48 3gh1 s TYR 210 CO -0.04 -0.83 0.37 -0.51 -1.57 0.00 0.00 175.55 172.97 3gh1 s LEU 211 N 0.20 4.38 -0.12 -1.29 1.02 0.05 -1.48 118.68 121.44 3gh1 s LEU 211 Ca 0.14 0.79 -0.00 0.00 0.02 0.00 0.00 54.13 55.08 3gh1 s LEU 211 Cb -0.23 -2.51 0.03 0.00 0.02 0.00 0.00 46.19 43.49 3gh1 s LEU 211 CO -0.03 0.22 -0.08 -0.83 0.02 0.00 0.00 176.35 175.64 3gh1 s GLY 212 N -0.40 0.88 -0.12 -3.19 0.00 -0.63 -0.52 107.32 103.35 3gh1 s GLY 212 Ca 0.22 -0.62 -0.03 0.00 0.00 0.00 0.00 44.72 44.29 3gh1 s GLY 212 CO 0.10 0.78 -0.02 1.08 0.00 0.00 0.00 173.10 175.04 3gh1 s LEU 213 N 1.67 3.41 0.00 0.66 1.43 0.79 -1.33 118.68 125.31 3gh1 s LEU 213 Ca 0.05 0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.16 3gh1 s LEU 213 Cb -0.13 -1.80 -0.00 0.00 0.03 0.00 0.00 46.19 44.30 3gh1 s LEU 213 CO -0.09 0.28 0.02 1.07 0.23 0.00 0.00 176.35 177.86 3gh1 n THR 214 N 2.79 0.00 -3.66 5.49 5.66 -0.35 -3.35 114.28 120.85 3gh1 n THR 214 Ca -0.18 -0.16 -0.11 0.00 -3.05 0.00 0.00 64.05 60.55 3gh1 n THR 214 Cb 0.53 0.08 -0.05 0.00 -1.55 0.00 0.00 70.33 69.33 3gh1 n THR 214 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 175.07 170.19 3gh1 s GLU 215 N -2.09 1.00 0.51 1.09 4.04 -1.26 -4.46 118.70 117.53 3gh1 s GLU 215 Ca 0.02 -0.61 0.23 0.00 0.04 0.00 0.00 54.97 54.65 3gh1 s GLU 215 Cb 0.00 0.44 1.38 0.00 0.02 0.00 0.00 34.13 35.97 3gh1 s GLU 215 CO 0.02 -0.37 2.10 -1.35 -1.84 0.00 0.00 175.26 173.81 3gh1 h PRO 216 N 2.61 0.00 -0.12 -4.83 0.11 -1.96 -1.74 132.00 126.06 3gh1 h PRO 216 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 3gh1 h PRO 216 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3gh1 h PRO 216 CO 0.46 0.10 0.00 -1.13 -0.21 0.00 0.00 178.00 177.23 3gh1 n SER 217 N -3.98 1.89 0.00 -2.05 3.41 -1.26 -3.98 113.62 107.66 3gh1 n SER 217 Ca -0.02 -1.69 0.00 0.00 -0.26 0.00 0.00 58.87 56.90 3gh1 n SER 217 Cb 0.19 -0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.07 3gh1 n SER 217 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gh1 n ILE 218 N 0.47 0.00 -0.34 -1.33 3.06 -0.76 -4.58 119.36 115.88 3gh1 n ILE 218 Ca 0.17 -0.23 -0.04 0.00 -2.50 0.00 0.00 62.75 60.15 3gh1 n ILE 218 Cb 0.39 0.79 0.09 0.00 0.54 0.00 0.00 39.64 41.44 3gh1 n ILE 218 CO 0.00 0.00 0.00 -0.29 -2.50 0.00 0.00 176.55 173.76 3gh1 h ILE 219 N 0.00 1.26 -0.67 9.51 2.10 -1.48 -0.18 117.51 128.05 3gh1 h ILE 219 Ca 0.00 -0.63 -0.02 0.00 1.08 0.00 0.00 64.86 65.29 3gh1 h ILE 219 Cb 0.00 0.01 -0.03 0.00 -1.09 0.00 0.00 36.82 35.71 3gh1 h ILE 219 CO 0.00 0.29 0.35 0.00 -1.08 0.00 0.00 178.15 177.72 3gh1 h ALA 220 N 1.28 1.37 0.01 0.18 0.00 -1.87 -2.08 119.26 118.15 3gh1 h ALA 220 Ca 0.32 -0.11 -0.20 0.00 0.00 0.00 0.00 54.91 54.92 3gh1 h ALA 220 Cb 0.01 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3gh1 h ALA 220 CO -0.05 0.51 -0.92 0.00 0.00 0.00 0.00 179.25 178.79 3gh1 h ALA 221 N 1.46 0.48 -2.34 0.00 0.00 -1.71 -3.38 119.26 113.76 3gh1 h ALA 221 Ca 0.24 -0.77 -0.59 0.00 0.00 0.00 0.00 54.91 53.79 3gh1 h ALA 221 Cb 0.04 -0.09 -0.41 0.00 0.00 0.00 0.00 17.79 17.34 3gh1 h ALA 221 CO -0.04 0.98 -0.79 0.39 0.00 0.00 0.00 179.25 179.79 3gh1 n GLU 222 N -3.59 1.51 -2.56 0.00 1.02 -0.13 -4.51 120.64 112.38 3gh1 n GLU 222 Ca -0.03 -3.99 -0.35 0.00 -0.02 0.00 0.00 57.16 52.77 3gh1 n GLU 222 Cb 0.84 -1.88 -0.04 0.00 -0.02 0.00 0.00 31.44 30.34 3gh1 n GLU 222 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3gh1 s PRO 223 N -1.51 3.98 0.04 3.49 0.04 -0.82 -3.46 135.00 136.76 3gh1 s PRO 223 Ca 0.34 1.41 -0.30 0.00 0.04 0.00 0.00 61.00 62.49 3gh1 s PRO 223 Cb 0.10 -2.29 -0.05 0.00 0.04 0.00 0.00 34.50 32.30 3gh1 s PRO 223 CO -0.10 -0.29 1.21 -1.25 0.04 0.00 0.00 177.00 176.61 3gh1 s PRO 224 N -2.91 4.41 0.36 0.56 0.04 -1.26 -1.59 135.00 134.61 3gh1 s PRO 224 Ca 0.63 1.77 -0.26 0.00 0.04 0.00 0.00 61.00 63.18 3gh1 s PRO 224 Cb -0.18 -3.38 -0.12 0.00 0.04 0.00 0.00 34.50 30.85 3gh1 s PRO 224 CO 0.23 -0.30 1.06 -1.71 0.04 0.00 0.00 177.00 176.32 3gh1 n ASN 225 N 4.16 1.57 0.28 6.66 2.85 -1.26 -4.83 115.26 124.70 3gh1 n ASN 225 Ca 0.09 1.12 0.18 0.00 -0.11 0.00 0.00 54.58 55.86 3gh1 n ASN 225 Cb 0.46 -1.36 0.87 0.00 1.24 0.00 0.00 39.78 41.00 3gh1 n ASN 225 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3gh1 h PRO 226 N 1.90 0.00 0.00 1.20 0.11 -1.93 -2.18 132.00 131.10 3gh1 h PRO 226 Ca -0.43 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.64 3gh1 h PRO 226 Cb 1.33 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.43 3gh1 h PRO 226 CO 0.59 0.00 -0.19 0.97 -0.21 0.00 0.00 178.00 179.16 3gh1 h ILE 227 N 0.00 0.75 -2.34 4.15 2.10 -1.94 -3.42 117.51 116.81 3gh1 h ILE 227 Ca 0.04 -0.78 -0.56 0.00 1.08 0.00 0.00 64.86 64.65 3gh1 h ILE 227 Cb 0.60 1.48 0.04 0.00 -1.09 0.00 0.00 36.82 37.84 3gh1 h ILE 227 CO -0.00 0.19 1.07 0.52 -1.08 0.00 0.00 178.15 178.84 3gh1 n VAL 228 N -3.74 0.39 0.47 2.19 0.31 -0.82 -4.85 118.33 112.28 3gh1 n VAL 228 Ca -0.02 -0.07 0.05 0.00 -0.01 0.00 0.00 64.34 64.30 3gh1 n VAL 228 Cb 0.30 -1.99 0.02 0.00 -0.91 0.00 0.00 33.84 31.26 3gh1 n VAL 228 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 3gh1 n ASN 229 N 5.67 1.57 -3.49 4.52 6.94 -0.55 -4.64 115.26 125.28 3gh1 n ASN 229 Ca 0.19 -1.29 -0.28 0.00 -0.02 0.00 0.00 54.58 53.18 3gh1 n ASN 229 Cb 0.34 0.25 -0.12 0.00 -2.36 0.00 0.00 39.78 37.90 3gh1 n ASN 229 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 3gh1 s GLU 230 N -1.20 0.82 0.16 -3.83 2.02 -0.87 -4.93 118.70 110.88 3gh1 s GLU 230 Ca 0.11 -1.71 -0.30 0.00 0.02 0.00 0.00 54.97 53.09 3gh1 s GLU 230 Cb 0.09 -1.55 -0.07 0.00 0.10 0.00 0.00 34.13 32.69 3gh1 s GLU 230 CO 0.21 -1.26 0.95 -1.17 0.02 0.00 0.00 175.26 174.02 3gh1 s LEU 231 N 0.60 4.56 -0.07 1.80 2.96 -1.26 -1.60 118.68 125.67 3gh1 s LEU 231 Ca 0.22 1.86 0.01 0.00 -0.22 0.00 0.00 54.13 56.00 3gh1 s LEU 231 Cb -0.15 -3.60 0.02 0.00 0.50 0.00 0.00 46.19 42.96 3gh1 s LEU 231 CO -0.06 0.03 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.25 3gh1 s VAL 232 N -0.48 0.74 0.57 1.68 1.01 -0.44 -4.87 120.40 118.60 3gh1 s VAL 232 Ca 0.44 -0.19 0.04 0.00 0.00 0.00 0.00 61.98 62.27 3gh1 s VAL 232 Cb -0.24 -0.76 0.06 0.00 0.00 0.00 0.00 36.38 35.44 3gh1 s VAL 232 CO 0.31 0.29 0.79 -0.63 0.00 0.00 0.00 175.10 175.85 3gh1 s ILE 233 N 1.19 2.49 -0.10 2.22 1.09 -1.26 -1.21 121.20 125.63 3gh1 s ILE 233 Ca -0.06 -0.79 0.13 0.00 -1.10 0.00 0.00 60.65 58.83 3gh1 s ILE 233 Cb -0.14 -2.71 -0.19 0.00 -1.06 0.00 0.00 42.46 38.36 3gh1 s ILE 233 CO -0.02 0.00 0.14 -2.65 -0.10 0.00 0.00 174.94 172.32 3gh1 n PRO 235 N -2.34 1.30 -3.84 2.79 -0.02 -1.26 -4.85 135.00 126.78 3gh1 n PRO 235 Ca 0.11 -0.05 -0.06 0.00 -2.02 0.00 0.00 63.50 61.49 3gh1 n PRO 235 Cb 0.60 -1.35 0.02 0.00 -0.02 0.00 0.00 33.50 32.74 3gh1 n PRO 235 CO 0.00 0.00 0.00 0.16 1.98 0.00 0.00 175.50 177.64 3gh1 s ASP 236 N -4.35 -0.03 0.10 2.55 1.47 -1.26 -4.62 116.67 110.53 3gh1 s ASP 236 Ca -0.06 -0.83 -0.22 0.00 1.18 0.00 0.00 52.55 52.62 3gh1 s ASP 236 Cb 0.06 0.65 -0.12 0.00 -0.34 0.00 0.00 42.92 43.17 3gh1 s ASP 236 CO 0.58 -1.28 1.72 0.40 0.68 0.00 0.00 175.17 177.27 3gh1 h ILE 237 N 2.00 1.05 -0.95 2.11 1.08 -1.97 -2.14 117.51 118.69 3gh1 h ILE 237 Ca -0.29 -0.12 0.05 0.00 -0.39 0.00 0.00 64.86 64.11 3gh1 h ILE 237 Cb 1.23 0.98 -0.06 0.00 -3.07 0.00 0.00 36.82 35.90 3gh1 h ILE 237 CO 0.36 0.04 0.61 -0.33 -0.69 0.00 0.00 178.15 178.15 3gh1 h GLU 238 N 0.09 1.10 -0.40 2.37 3.07 -1.91 -0.92 114.58 117.98 3gh1 h GLU 238 Ca 0.03 -0.07 -0.12 0.00 -0.50 0.00 0.00 59.36 58.70 3gh1 h GLU 238 Cb 0.03 -0.25 -0.01 0.00 -0.84 0.00 0.00 28.75 27.67 3gh1 h GLU 238 CO -0.01 0.73 -0.25 0.87 -1.40 0.00 0.00 179.01 178.96 3gh1 h LYS 239 N 1.14 0.81 -0.51 2.33 1.57 -1.86 -0.21 116.57 119.84 3gh1 h LYS 239 Ca 0.40 -0.34 0.04 0.00 -1.87 0.00 0.00 60.65 58.87 3gh1 h LYS 239 Cb 0.11 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.35 3gh1 h LYS 239 CO -0.15 0.97 0.27 -0.09 -0.57 0.00 0.00 179.45 179.88 3gh1 h ARG 240 N 0.70 0.52 -0.47 3.15 2.43 -1.13 0.44 114.38 120.01 3gh1 h ARG 240 Ca 0.09 -0.03 0.06 0.00 -0.81 0.00 0.00 59.98 59.29 3gh1 h ARG 240 Cb 0.78 -0.12 -0.05 0.00 -0.42 0.00 0.00 29.97 30.16 3gh1 h ARG 240 CO 0.06 0.34 0.18 -0.07 -1.51 0.00 0.00 179.97 178.98 3gh1 h LEU 241 N 0.53 0.21 -0.73 3.80 3.38 -0.77 -0.80 115.31 120.92 3gh1 h LEU 241 Ca 0.22 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.22 3gh1 h LEU 241 Cb 0.10 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 3gh1 h LEU 241 CO -0.14 0.15 0.39 -0.08 0.09 0.00 0.00 178.44 178.86 3gh1 h GLU 242 N 0.37 1.02 -0.25 1.13 4.81 -0.91 -2.39 114.58 118.36 3gh1 h GLU 242 Ca 0.22 -0.12 0.01 0.00 -0.13 0.00 0.00 59.36 59.34 3gh1 h GLU 242 Cb 0.21 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 3gh1 h GLU 242 CO -0.21 0.77 0.13 0.00 -0.73 0.00 0.00 179.01 178.97 3gh1 h ALA 243 N 1.20 0.30 -0.15 2.92 0.00 -0.56 -0.93 119.26 122.04 3gh1 h ALA 243 Ca 0.26 0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.22 3gh1 h ALA 243 Cb 0.05 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 17.72 3gh1 h ALA 243 CO -0.04 -0.27 -0.36 0.74 0.00 0.00 0.00 179.25 179.32 3gh1 h PHE 244 N 0.27 -1.01 0.00 0.00 0.04 -1.06 -3.13 116.94 112.06 3gh1 h PHE 244 Ca 0.10 0.04 -0.03 0.00 2.80 0.00 0.00 57.97 60.88 3gh1 h PHE 244 Cb 0.02 0.46 -0.00 0.00 2.20 0.00 0.00 35.95 38.63 3gh1 h PHE 244 CO -0.09 -0.43 -0.18 -0.39 -0.60 0.00 0.00 178.31 176.63 3gh1 h VAL 245 N -0.43 0.27 0.00 -0.55 -1.51 -1.17 0.90 116.25 113.77 3gh1 h VAL 245 Ca 0.09 -1.39 0.00 0.00 -1.23 0.00 0.00 66.70 64.17 3gh1 h VAL 245 Cb 0.58 2.13 0.00 0.00 -2.13 0.00 0.00 31.29 31.87 3gh1 h VAL 245 CO -0.38 0.16 0.00 0.54 -1.23 0.00 0.00 177.57 176.65 3gh1 n ARG 246 N -3.13 0.83 -1.05 5.19 1.74 -0.38 -4.89 116.66 114.97 3gh1 n ARG 246 Ca 0.03 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.11 3gh1 n ARG 246 Cb 0.60 -1.28 0.00 0.00 -1.02 0.00 0.00 32.46 30.76 3gh1 n ARG 246 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3gh1 n ALA 248 N 0.29 -1.00 0.22 7.54 0.00 0.31 -0.74 120.51 127.12 3gh1 n ALA 248 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 3gh1 n ALA 248 Cb 0.29 -0.45 -0.16 0.00 0.00 0.00 0.00 19.45 19.13 3gh1 n ALA 248 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3gh1 n HIS 249 N -0.50 0.00 -3.64 0.00 -0.00 0.35 -4.98 115.22 106.45 3gh1 n HIS 249 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 57.72 57.65 3gh1 n HIS 249 Cb 0.00 -0.38 -0.02 0.00 -0.00 0.00 0.00 29.99 29.59 3gh1 n HIS 249 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 3gh1 s GLY 250 N -4.13 -0.35 -0.03 -1.41 0.00 -1.16 -4.10 107.32 96.15 3gh1 s GLY 250 Ca -0.04 0.34 0.01 0.00 0.00 0.00 0.00 44.72 45.03 3gh1 s GLY 250 CO 0.89 0.10 -0.03 -0.42 0.00 0.00 0.00 173.10 173.64 3gh1 s ILE 251 N -3.48 0.37 -0.11 0.90 1.01 -0.02 -1.15 121.20 118.72 3gh1 s ILE 251 Ca 0.08 -0.06 0.01 0.00 0.00 0.00 0.00 60.65 60.67 3gh1 s ILE 251 Cb -0.02 -0.40 -0.02 0.00 0.01 0.00 0.00 42.46 42.03 3gh1 s ILE 251 CO -0.03 0.17 -0.14 -0.63 0.00 0.00 0.00 174.94 174.31 3gh1 s ILE 252 N 0.72 3.01 -0.16 2.92 1.01 -0.09 -1.09 121.20 127.51 3gh1 s ILE 252 Ca -0.08 -0.69 0.01 0.00 0.00 0.00 0.00 60.65 59.89 3gh1 s ILE 252 Cb -0.12 -2.24 0.02 0.00 0.01 0.00 0.00 42.46 40.13 3gh1 s ILE 252 CO -0.01 0.54 -0.19 -0.63 0.00 0.00 0.00 174.94 174.66 3gh1 s ILE 253 N 0.15 1.91 0.50 2.92 1.01 -0.26 -1.28 121.20 126.15 3gh1 s ILE 253 Ca -0.07 -0.85 0.04 0.00 0.00 0.00 0.00 60.65 59.76 3gh1 s ILE 253 Cb -0.15 -1.74 0.02 0.00 0.01 0.00 0.00 42.46 40.61 3gh1 s ILE 253 CO 0.05 0.52 0.69 -0.36 0.00 0.00 0.00 174.94 175.84 3gh1 s PHE 254 N 1.26 2.85 0.47 3.97 0.08 0.78 -0.81 117.98 126.58 3gh1 s PHE 254 Ca 0.03 -0.15 -0.24 0.00 0.12 0.00 0.00 56.93 56.69 3gh1 s PHE 254 Cb -0.13 -2.59 -0.08 0.00 -0.57 0.00 0.00 43.02 39.64 3gh1 s PHE 254 CO -0.10 -0.68 1.25 -2.30 -0.10 0.00 0.00 175.22 173.28 3gh1 n PRO 255 N -2.14 1.75 -2.72 0.24 -0.02 -1.26 -4.48 135.00 126.37 3gh1 n PRO 255 Ca 0.08 0.63 -0.06 0.00 -2.02 0.00 0.00 63.50 62.13 3gh1 n PRO 255 Cb 0.59 -2.39 0.02 0.00 -0.02 0.00 0.00 33.50 31.70 3gh1 n PRO 255 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gh1 n GLY 256 N 0.87 1.45 0.00 -1.23 0.00 -1.26 -1.10 105.19 103.92 3gh1 n GLY 256 Ca 0.08 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.92 3gh1 n GLY 256 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gh1 n GLY 257 N -0.33 2.00 0.23 -0.02 0.00 -1.26 -4.82 105.19 100.99 3gh1 n GLY 257 Ca -0.05 -1.76 0.09 0.00 0.00 0.00 0.00 46.02 44.30 3gh1 n GLY 257 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gh1 h PRO 258 N 0.00 0.00 -0.44 1.61 0.13 -1.92 -1.55 132.00 129.84 3gh1 h PRO 258 Ca 0.00 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.03 3gh1 h PRO 258 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 3gh1 h PRO 258 CO 0.00 0.21 -0.11 0.78 -0.23 0.00 0.00 178.00 178.64 3gh1 h GLY 259 N 1.00 0.93 1.52 1.56 0.00 -1.94 -0.94 103.07 105.20 3gh1 h GLY 259 Ca -0.00 -0.77 -0.14 0.00 0.00 0.00 0.00 47.33 46.42 3gh1 h GLY 259 CO 0.03 0.70 -0.46 -0.84 0.00 0.00 0.00 176.54 175.97 3gh1 h THR 260 N 0.69 1.31 -0.40 4.70 2.02 -1.81 -1.95 112.91 117.46 3gh1 h THR 260 Ca 0.11 -1.65 -0.02 0.00 0.77 0.00 0.00 66.41 65.62 3gh1 h THR 260 Cb 0.66 1.65 -0.02 0.00 -1.74 0.00 0.00 68.15 68.70 3gh1 h THR 260 CO 0.05 0.51 0.17 0.00 0.37 0.00 0.00 175.52 176.62 3gh1 h ALA 261 N 1.09 0.52 -0.51 6.16 0.00 -1.10 -1.54 119.26 123.89 3gh1 h ALA 261 Ca 0.03 -0.13 0.10 0.00 0.00 0.00 0.00 54.91 54.91 3gh1 h ALA 261 Cb 0.96 -0.16 -0.10 0.00 0.00 0.00 0.00 17.79 18.50 3gh1 h ALA 261 CO 0.09 0.11 -0.11 1.49 0.00 0.00 0.00 179.25 180.82 3gh1 h GLU 262 N 0.51 0.01 -0.39 0.00 4.81 -1.09 0.59 114.58 119.01 3gh1 h GLU 262 Ca 0.14 -0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.27 3gh1 h GLU 262 Cb 0.17 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 3gh1 h GLU 262 CO -0.01 0.01 -0.13 0.93 -0.73 0.00 0.00 179.01 179.07 3gh1 h GLU 263 N 0.01 0.77 -0.26 1.92 5.08 -1.10 -1.27 114.58 119.74 3gh1 h GLU 263 Ca 0.25 -0.31 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3gh1 h GLU 263 Cb 0.38 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 3gh1 h GLU 263 CO -0.52 0.92 0.17 1.25 -1.00 0.00 0.00 179.01 179.83 3gh1 h LEU 264 N 0.57 0.30 -1.12 1.33 5.85 -0.87 -2.08 115.31 119.29 3gh1 h LEU 264 Ca 0.09 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.76 3gh1 h LEU 264 Cb 0.66 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.59 3gh1 h LEU 264 CO 0.05 0.23 0.25 -0.07 -0.34 0.00 0.00 178.44 178.55 3gh1 h LEU 265 N 0.34 0.79 0.24 2.25 3.38 -0.77 -1.09 115.31 120.45 3gh1 h LEU 265 Ca 0.09 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3gh1 h LEU 265 Cb -0.03 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.52 3gh1 h LEU 265 CO -0.02 0.70 -0.11 0.22 0.09 0.00 0.00 178.44 179.32 3gh1 h TYR 266 N 0.86 -0.30 -0.27 1.13 3.20 -0.89 -1.12 116.97 119.57 3gh1 h TYR 266 Ca 0.21 -0.01 -0.15 0.00 3.14 0.00 0.00 58.73 61.92 3gh1 h TYR 266 Cb 0.15 0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.51 3gh1 h TYR 266 CO 0.01 -0.14 -0.43 0.97 -1.64 0.00 0.00 178.16 176.93 3gh1 h ILE 267 N -0.37 1.29 -0.37 1.81 6.09 -1.27 -2.40 117.51 122.29 3gh1 h ILE 267 Ca -0.03 -1.61 -0.03 0.00 -1.37 0.00 0.00 64.86 61.82 3gh1 h ILE 267 Cb 0.29 1.54 -0.02 0.00 0.47 0.00 0.00 36.82 39.10 3gh1 h ILE 267 CO 0.05 0.52 0.12 -0.07 -3.07 0.00 0.00 178.15 175.70 3gh1 h LEU 268 N 0.55 0.53 -0.75 2.19 3.38 -1.17 -2.74 115.31 117.30 3gh1 h LEU 268 Ca 0.04 -0.20 0.11 0.00 0.09 0.00 0.00 57.88 57.93 3gh1 h LEU 268 Cb 0.97 -0.14 -0.08 0.00 0.09 0.00 0.00 40.66 41.50 3gh1 h LEU 268 CO 0.09 0.59 0.35 1.23 0.09 0.00 0.00 178.44 180.79 3gh1 h GLY 269 N 0.45 1.14 -7.36 0.83 0.00 -1.09 -3.43 103.07 93.61 3gh1 h GLY 269 Ca 0.12 -0.21 -0.25 0.00 0.00 0.00 0.00 47.33 46.99 3gh1 h GLY 269 CO -0.01 0.00 0.81 -0.42 0.00 0.00 0.00 176.54 176.92 3gh1 s ILE 270 N -6.03 3.42 0.00 2.60 1.01 -0.91 -4.72 121.20 116.56 3gh1 s ILE 270 Ca -0.12 -0.68 0.00 0.00 0.00 0.00 0.00 60.65 59.84 3gh1 s ILE 270 Cb 0.19 -4.39 0.00 0.00 0.01 0.00 0.00 42.46 38.27 3gh1 s ILE 270 CO 0.77 -0.76 0.00 1.57 0.00 0.00 0.00 174.94 176.51 3gh1 n HIS 273 N 15.65 0.00 0.12 3.97 -0.00 -1.26 -4.77 115.22 128.93 3gh1 n HIS 273 Ca 0.44 0.00 0.06 0.00 -0.00 0.00 0.00 57.72 58.21 3gh1 n HIS 273 Cb 0.47 0.00 0.52 0.00 -0.00 0.00 0.00 29.99 30.98 3gh1 n HIS 273 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 3gh1 h PRO 274 N 0.00 0.29 0.00 1.57 0.11 -2.00 0.25 132.00 132.22 3gh1 h PRO 274 Ca 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.09 3gh1 h PRO 274 Cb 0.00 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.05 3gh1 h PRO 274 CO 0.00 0.20 0.00 0.39 -0.21 0.00 0.00 178.00 178.38 3gh1 n GLU 275 N -4.49 0.15 -0.35 1.05 1.02 -1.26 -2.32 120.64 114.43 3gh1 n GLU 275 Ca 0.00 0.50 0.10 0.00 -0.02 0.00 0.00 57.16 57.75 3gh1 n GLU 275 Cb 0.08 -1.85 0.29 0.00 -0.02 0.00 0.00 31.44 29.94 3gh1 n GLU 275 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3gh1 n ASN 276 N -2.14 3.80 0.10 1.62 3.02 0.89 -4.58 115.26 117.97 3gh1 n ASN 276 Ca 0.01 -2.02 0.13 0.00 -0.03 0.00 0.00 54.58 52.66 3gh1 n ASN 276 Cb 0.13 -0.45 0.63 0.00 -0.61 0.00 0.00 39.78 39.49 3gh1 n ASN 276 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gh1 h ALA 277 N 3.84 2.18 -0.16 5.41 0.00 -1.48 -0.63 119.26 128.43 3gh1 h ALA 277 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3gh1 h ALA 277 Cb 0.96 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.75 3gh1 h ALA 277 CO 0.01 -0.26 0.00 -0.40 0.00 0.00 0.00 179.25 178.60 3gh1 n ASP 278 N -4.47 1.65 -4.70 0.00 5.75 -1.26 -4.89 116.55 108.63 3gh1 n ASP 278 Ca 0.04 -1.71 -0.42 0.00 -0.01 0.00 0.00 54.79 52.69 3gh1 n ASP 278 Cb 0.32 -0.10 -0.03 0.00 -1.03 0.00 0.00 41.12 40.28 3gh1 n ASP 278 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 3gh1 s GLN 279 N -1.79 4.47 -0.00 0.11 -1.52 -0.24 -5.07 119.66 115.62 3gh1 s GLN 279 Ca 0.32 1.55 -0.19 0.00 -1.95 0.00 0.00 55.36 55.09 3gh1 s GLN 279 Cb 0.17 -3.45 -0.06 0.00 -0.22 0.00 0.00 33.01 29.46 3gh1 s GLN 279 CO 0.26 -0.20 0.55 -1.25 -0.25 0.00 0.00 175.29 174.39 3gh1 s PRO 280 N 1.34 4.24 0.02 2.91 0.04 -1.26 -5.12 135.00 137.16 3gh1 s PRO 280 Ca 0.54 0.65 0.00 0.00 0.04 0.00 0.00 61.00 62.23 3gh1 s PRO 280 Cb -0.24 -3.31 -0.02 0.00 0.04 0.00 0.00 34.50 30.97 3gh1 s PRO 280 CO 0.26 0.45 -0.03 -1.25 0.04 0.00 0.00 177.00 176.46 3gh1 s PRO 282 N -0.41 0.31 -0.10 0.56 0.04 -1.26 -4.87 135.00 129.28 3gh1 s PRO 282 Ca 0.29 -0.58 0.01 0.00 0.04 0.00 0.00 61.00 60.75 3gh1 s PRO 282 Cb -0.18 0.06 0.02 0.00 0.04 0.00 0.00 34.50 34.44 3gh1 s PRO 282 CO 0.16 -0.04 -0.10 0.42 0.04 0.00 0.00 177.00 177.48 3gh1 s ILE 283 N -1.35 1.12 -0.14 0.56 1.01 -1.26 -0.84 121.20 120.31 3gh1 s ILE 283 Ca -0.14 -0.40 0.01 0.00 0.00 0.00 0.00 60.65 60.12 3gh1 s ILE 283 Cb -0.09 -1.08 0.02 0.00 0.01 0.00 0.00 42.46 41.31 3gh1 s ILE 283 CO -0.01 0.37 -0.16 -0.69 0.00 0.00 0.00 174.94 174.45 3gh1 s VAL 284 N 1.23 1.64 -0.10 2.92 1.01 -0.25 -1.90 120.40 124.95 3gh1 s VAL 284 Ca -0.04 -0.70 -0.21 0.00 0.00 0.00 0.00 61.98 61.03 3gh1 s VAL 284 Cb -0.14 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 34.70 3gh1 s VAL 284 CO -0.03 0.47 0.61 -0.76 0.00 0.00 0.00 175.10 175.39 3gh1 s LEU 285 N 1.21 4.28 0.01 3.92 1.02 0.62 -1.10 118.68 128.63 3gh1 s LEU 285 Ca -0.01 1.01 -0.07 0.00 0.02 0.00 0.00 54.13 55.08 3gh1 s LEU 285 Cb -0.14 -2.92 0.00 0.00 0.02 0.00 0.00 46.19 43.16 3gh1 s LEU 285 CO -0.06 -0.09 0.14 0.28 0.02 0.00 0.00 176.35 176.63 3gh1 s THR 286 N 0.85 0.09 0.24 5.49 -1.32 0.01 -0.41 115.64 120.59 3gh1 s THR 286 Ca 0.32 -0.72 -0.21 0.00 -1.21 0.00 0.00 61.69 59.88 3gh1 s THR 286 Cb -0.16 -0.46 0.07 0.00 -1.51 0.00 0.00 72.50 70.43 3gh1 s THR 286 CO 0.14 -0.39 0.95 -0.83 -2.21 0.00 0.00 174.62 172.28 3gh1 s GLY 287 N -1.44 0.13 1.07 6.08 0.00 -1.21 -4.08 107.32 107.87 3gh1 s GLY 287 Ca -0.14 -0.39 -0.13 0.00 0.00 0.00 0.00 44.72 44.06 3gh1 s GLY 287 CO 0.01 1.25 1.08 2.56 0.00 0.00 0.00 173.10 178.00 3gh1 s PRO 288 N -2.42 -0.13 0.31 2.90 0.04 -1.26 -0.75 135.00 133.68 3gh1 s PRO 288 Ca 0.18 0.49 0.08 0.00 0.04 0.00 0.00 61.00 61.79 3gh1 s PRO 288 Cb -0.03 -1.67 0.84 0.00 0.04 0.00 0.00 34.50 33.68 3gh1 s PRO 288 CO 0.07 -3.11 1.72 -0.22 0.04 0.00 0.00 177.00 175.50 3gh1 h LYS 289 N -2.16 0.53 0.00 4.56 1.63 -1.92 -1.02 116.57 118.20 3gh1 h LYS 289 Ca -0.56 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.21 3gh1 h LYS 289 Cb 1.33 -0.12 0.00 0.00 -0.60 0.00 0.00 32.23 32.84 3gh1 h LYS 289 CO 0.54 0.35 0.00 -0.56 -3.45 0.00 0.00 179.45 176.34 3gh1 h GLN 290 N 0.55 0.00 -0.20 1.90 3.07 -2.00 -1.87 115.11 116.56 3gh1 h GLN 290 Ca 0.62 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.36 3gh1 h GLN 290 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.73 3gh1 h GLN 290 CO -0.48 0.00 0.00 -1.13 0.09 0.00 0.00 178.83 177.31 3gh1 n SER 291 N -2.70 1.34 -0.19 0.06 3.41 -0.38 -4.39 113.62 110.77 3gh1 n SER 291 Ca -0.00 -1.82 -0.02 0.00 -0.26 0.00 0.00 58.87 56.77 3gh1 n SER 291 Cb 0.19 -0.13 0.09 0.00 -0.26 0.00 0.00 64.21 64.09 3gh1 n SER 291 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 3gh1 h GLU 292 N 1.61 0.40 -0.37 4.33 4.81 -1.46 -0.99 114.58 122.92 3gh1 h GLU 292 Ca 0.00 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.15 3gh1 h GLU 292 Cb 0.36 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 3gh1 h GLU 292 CO 0.00 0.27 -0.01 0.00 -0.73 0.00 0.00 179.01 178.54 3gh1 h ALA 293 N 1.37 0.50 -0.33 2.92 0.00 -1.86 -0.93 119.26 120.93 3gh1 h ALA 293 Ca 0.28 -0.25 0.07 0.00 0.00 0.00 0.00 54.91 55.01 3gh1 h ALA 293 Cb 0.30 -0.13 -0.08 0.00 0.00 0.00 0.00 17.79 17.88 3gh1 h ALA 293 CO -0.26 0.27 -0.21 -0.92 0.00 0.00 0.00 179.25 178.12 3gh1 h TYR 294 N 0.47 -0.55 -0.59 0.00 3.20 -1.77 -0.64 116.97 117.09 3gh1 h TYR 294 Ca 0.10 0.04 -0.07 0.00 3.14 0.00 0.00 58.73 61.94 3gh1 h TYR 294 Cb 0.47 0.29 -0.02 0.00 1.54 0.00 0.00 36.73 39.01 3gh1 h TYR 294 CO 0.04 -0.29 0.07 0.74 -1.64 0.00 0.00 178.16 177.08 3gh1 h PHE 295 N -0.17 1.02 -0.30 -3.82 0.04 -1.01 0.18 116.94 112.89 3gh1 h PHE 295 Ca 0.17 -0.14 0.02 0.00 2.80 0.00 0.00 57.97 60.82 3gh1 h PHE 295 Cb 0.43 -0.28 -0.02 0.00 2.20 0.00 0.00 35.95 38.28 3gh1 h PHE 295 CO -0.42 0.88 0.16 0.00 -0.60 0.00 0.00 178.31 178.33 3gh1 h ARG 296 N 0.91 0.32 -0.55 1.51 3.08 -1.03 0.11 114.38 118.72 3gh1 h ARG 296 Ca 0.18 -0.02 -0.07 0.00 0.07 0.00 0.00 59.98 60.14 3gh1 h ARG 296 Cb 0.43 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.38 3gh1 h ARG 296 CO 0.01 0.21 0.06 1.03 -1.07 0.00 0.00 179.97 180.21 3gh1 h SER 297 N 0.33 0.91 -0.30 7.04 0.87 -0.77 -1.31 113.55 120.31 3gh1 h SER 297 Ca 0.12 -0.28 -0.03 0.00 -1.23 0.00 0.00 61.79 60.38 3gh1 h SER 297 Cb 0.03 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.74 3gh1 h SER 297 CO -0.08 0.96 0.06 0.25 -0.53 0.00 0.00 176.83 177.49 3gh1 h LEU 298 N 0.82 0.47 -0.76 2.23 5.85 -0.80 -1.62 115.31 121.50 3gh1 h LEU 298 Ca 0.16 -0.24 0.07 0.00 0.84 0.00 0.00 57.88 58.71 3gh1 h LEU 298 Cb 0.45 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 41.30 3gh1 h LEU 298 CO 0.02 0.59 0.44 -0.78 -0.34 0.00 0.00 178.44 178.37 3gh1 h ASP 299 N 0.33 0.66 -0.14 1.25 3.58 -0.74 -2.05 116.42 119.31 3gh1 h ASP 299 Ca 0.09 0.03 -0.09 0.00 0.42 0.00 0.00 57.03 57.48 3gh1 h ASP 299 Cb 0.31 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.24 3gh1 h ASP 299 CO 0.00 0.42 -0.19 0.50 -2.88 0.00 0.00 179.24 177.09 3gh1 h LYS 300 N 0.79 0.56 -0.49 0.28 3.64 -1.09 -2.00 116.57 118.26 3gh1 h LYS 300 Ca 0.34 -0.19 -0.09 0.00 -1.27 0.00 0.00 60.65 59.44 3gh1 h LYS 300 Cb 0.22 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.98 3gh1 h LYS 300 CO -0.19 0.72 -0.04 0.35 -2.27 0.00 0.00 179.45 178.01 3gh1 h PHE 301 N 0.50 0.99 0.11 1.91 3.57 -0.85 -0.01 116.94 123.15 3gh1 h PHE 301 Ca 0.08 -0.19 -0.01 0.00 3.53 0.00 0.00 57.97 61.39 3gh1 h PHE 301 Cb 0.61 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 39.10 3gh1 h PHE 301 CO 0.02 0.94 -0.05 0.82 -2.23 0.00 0.00 178.31 177.81 3gh1 h ILE 302 N 0.76 1.03 -0.09 1.41 1.08 -1.30 -1.19 117.51 119.21 3gh1 h ILE 302 Ca 0.14 -0.56 -0.06 0.00 -0.39 0.00 0.00 64.86 63.98 3gh1 h ILE 302 Cb 0.57 1.39 -0.01 0.00 -3.07 0.00 0.00 36.82 35.70 3gh1 h ILE 302 CO 0.03 0.14 -0.23 0.71 -0.69 0.00 0.00 178.15 178.11 3gh1 h THR 303 N -0.41 1.21 -0.01 -0.27 1.35 -1.38 0.36 112.91 113.76 3gh1 h THR 303 Ca -0.01 -0.96 -0.18 0.00 -0.55 0.00 0.00 66.41 64.71 3gh1 h THR 303 Cb 0.33 1.39 -0.02 0.00 -1.73 0.00 0.00 68.15 68.13 3gh1 h THR 303 CO 0.02 0.29 -0.81 0.44 -0.25 0.00 0.00 175.52 175.22 3gh1 h ASP 304 N 0.14 0.17 0.03 5.36 3.32 -0.92 -2.41 116.42 122.10 3gh1 h ASP 304 Ca 0.02 -0.13 -0.36 0.00 0.02 0.00 0.00 57.03 56.59 3gh1 h ASP 304 Cb 0.48 -0.05 -0.05 0.00 0.22 0.00 0.00 39.33 39.93 3gh1 h ASP 304 CO 0.03 0.90 -2.01 0.35 -1.72 0.00 0.00 179.24 176.80 3gh1 n THR 305 N -3.67 1.58 0.53 0.35 -2.24 -0.46 -4.61 114.28 105.76 3gh1 n THR 305 Ca -0.02 -0.36 0.11 0.00 -2.27 0.00 0.00 64.05 61.51 3gh1 n THR 305 Cb 0.76 -1.82 -0.01 0.00 -2.10 0.00 0.00 70.33 67.16 3gh1 n THR 305 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3gh1 n LEU 306 N -3.98 0.59 0.00 3.22 4.77 0.13 -4.95 117.00 116.78 3gh1 n LEU 306 Ca -0.41 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 55.53 3gh1 n LEU 306 Cb 0.87 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.88 3gh1 n LEU 306 CO 0.20 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 176.92 3gh1 n GLY 307 N 1.36 2.28 0.30 -0.72 0.00 -0.91 -4.58 105.19 102.92 3gh1 n GLY 307 Ca 0.01 -1.95 0.20 0.00 0.00 0.00 0.00 46.02 44.28 3gh1 n GLY 307 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3gh1 h GLU 308 N 0.00 0.00 -0.01 1.61 5.08 -1.91 -1.11 114.58 118.25 3gh1 h GLU 308 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3gh1 h GLU 308 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 3gh1 h GLU 308 CO 0.00 0.00 0.01 0.00 -1.00 0.00 0.00 179.01 178.02 3gh1 h ALA 309 N 2.01 1.45 -0.07 3.43 0.00 -1.94 -2.90 119.26 121.24 3gh1 h ALA 309 Ca 0.00 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 3gh1 h ALA 309 Cb 0.24 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3gh1 h ALA 309 CO 0.00 -0.02 -0.27 0.00 0.00 0.00 0.00 179.25 178.96 3gh1 h ALA 310 N 1.98 1.42 0.00 0.00 0.00 -1.44 -2.80 119.26 118.42 3gh1 h ALA 310 Ca 0.00 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 3gh1 h ALA 310 Cb 0.03 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 3gh1 h ALA 310 CO -0.00 0.42 -0.03 -0.09 0.00 0.00 0.00 179.25 179.55 3gh1 h ARG 311 N 0.11 0.00 0.00 0.00 9.65 -1.71 -1.38 114.38 121.05 3gh1 h ARG 311 Ca 0.02 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.90 3gh1 h ARG 311 Cb 0.55 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.13 3gh1 h ARG 311 CO 0.04 0.03 0.00 0.36 2.80 0.00 0.00 179.97 183.20 3gh1 n LYS 312 N -3.21 0.82 0.00 0.20 2.85 -1.05 -3.29 118.16 114.48 3gh1 n LYS 312 Ca -0.01 0.00 0.07 0.00 -1.05 0.00 0.00 58.31 57.32 3gh1 n LYS 312 Cb 0.21 -1.50 0.01 0.00 -0.65 0.00 0.00 35.03 33.10 3gh1 n LYS 312 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 3gh1 n HIS 313 N -1.02 0.00 -4.00 5.58 8.25 -0.52 -4.99 115.22 118.52 3gh1 n HIS 313 Ca 0.20 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.58 3gh1 n HIS 313 Cb 0.10 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.13 3gh1 n HIS 313 CO 0.00 0.00 0.00 1.52 0.64 0.00 0.00 176.34 178.50 3gh1 s TYR 314 N -1.64 0.43 0.35 4.41 -0.85 -1.21 -4.04 117.35 114.81 3gh1 s TYR 314 Ca 0.12 -0.88 0.04 0.00 -0.52 0.00 0.00 57.07 55.83 3gh1 s TYR 314 Cb 0.11 -0.23 -0.06 0.00 0.38 0.00 0.00 41.96 42.16 3gh1 s TYR 314 CO 0.33 -0.52 0.06 -1.54 -1.52 0.00 0.00 175.55 172.36 3gh1 s SER 315 N -2.93 2.63 -0.10 -0.18 1.04 -0.80 -4.88 113.70 108.48 3gh1 s SER 315 Ca 0.11 -1.44 0.03 0.00 0.48 0.00 0.00 55.95 55.14 3gh1 s SER 315 Cb 0.06 0.01 0.01 0.00 0.10 0.00 0.00 66.02 66.20 3gh1 s SER 315 CO -0.07 -0.66 -0.21 -0.63 0.98 0.00 0.00 173.24 172.66 3gh1 s ILE 316 N -3.22 1.86 -0.30 -1.02 1.01 -1.26 -0.28 121.20 117.99 3gh1 s ILE 316 Ca 0.33 -0.89 0.01 0.00 0.00 0.00 0.00 60.65 60.10 3gh1 s ILE 316 Cb 0.08 -1.63 0.09 0.00 0.01 0.00 0.00 42.46 41.01 3gh1 s ILE 316 CO 0.15 0.51 0.04 0.00 0.00 0.00 0.00 174.94 175.65 3gh1 s ALA 317 N 0.53 2.14 -0.05 9.38 0.00 0.45 -4.95 121.76 129.26 3gh1 s ALA 317 Ca -0.15 -1.91 -0.14 0.00 0.00 0.00 0.00 51.96 49.77 3gh1 s ALA 317 Cb -0.17 -1.70 -0.05 0.00 0.00 0.00 0.00 23.12 21.20 3gh1 s ALA 317 CO 0.05 -1.55 0.35 0.42 0.00 0.00 0.00 175.76 175.03 3gh1 s ILE 318 N 1.30 5.16 -1.26 0.00 -1.09 -1.26 -3.32 121.20 120.73 3gh1 s ILE 318 Ca 0.06 0.70 -0.02 0.00 -2.23 0.00 0.00 60.65 59.16 3gh1 s ILE 318 Cb -0.18 -3.66 0.00 0.00 -1.58 0.00 0.00 42.46 37.05 3gh1 s ILE 318 CO -0.14 0.54 1.00 -0.67 -1.23 0.00 0.00 174.94 174.44 3gh1 n ASP 319 N 2.22 -2.92 -2.85 3.58 2.03 0.07 -4.90 116.55 113.78 3gh1 n ASP 319 Ca -0.14 -0.63 -0.03 0.00 0.52 0.00 0.00 54.79 54.51 3gh1 n ASP 319 Cb 0.53 -4.95 0.01 0.00 -0.72 0.00 0.00 41.12 35.99 3gh1 n ASP 319 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 3gh1 s ASN 320 N -4.11 -1.36 0.24 1.67 3.84 -1.26 -4.95 114.94 109.00 3gh1 s ASN 320 Ca 0.14 -1.40 -0.05 0.00 0.21 0.00 0.00 52.86 51.76 3gh1 s ASN 320 Cb -0.06 1.77 0.24 0.00 -0.55 0.00 0.00 41.25 42.65 3gh1 s ASN 320 CO 0.74 -0.07 1.78 -0.65 -2.79 0.00 0.00 177.10 176.11 3gh1 h PRO 321 N 5.37 1.04 -0.76 0.43 0.11 -1.92 -2.75 132.00 133.52 3gh1 h PRO 321 Ca 0.05 -0.21 -0.02 0.00 0.11 0.00 0.00 66.00 65.92 3gh1 h PRO 321 Cb 1.13 -0.16 -0.04 0.00 0.11 0.00 0.00 31.00 32.05 3gh1 h PRO 321 CO 0.02 0.89 0.37 0.00 -0.21 0.00 0.00 178.00 179.07 3gh1 h ALA 322 N 1.22 1.23 -0.29 -0.75 0.00 -1.94 -2.66 119.26 116.07 3gh1 h ALA 322 Ca 0.22 -0.14 -0.14 0.00 0.00 0.00 0.00 54.91 54.85 3gh1 h ALA 322 Cb 0.28 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3gh1 h ALA 322 CO -0.01 0.60 -0.39 1.49 0.00 0.00 0.00 179.25 180.94 3gh1 h GLU 323 N 1.07 0.69 -0.38 0.00 4.57 -1.92 0.65 114.58 119.27 3gh1 h GLU 323 Ca 0.26 -0.35 0.04 0.00 -1.18 0.00 0.00 59.36 58.14 3gh1 h GLU 323 Cb 0.09 0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 28.65 3gh1 h GLU 323 CO -0.04 0.96 0.13 0.00 -1.18 0.00 0.00 179.01 178.89 3gh1 h ALA 324 N 1.00 0.44 -0.21 2.92 0.00 -1.34 -1.46 119.26 120.62 3gh1 h ALA 324 Ca 0.05 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 3gh1 h ALA 324 Cb 0.92 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 3gh1 h ALA 324 CO 0.08 -0.26 -0.22 0.00 0.00 0.00 0.00 179.25 178.85 3gh1 h ALA 325 N 1.24 1.24 -0.38 0.00 0.00 -1.22 -3.16 119.26 116.97 3gh1 h ALA 325 Ca 0.17 -0.31 -0.16 0.00 0.00 0.00 0.00 54.91 54.61 3gh1 h ALA 325 Cb 0.15 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3gh1 h ALA 325 CO -0.17 0.50 -0.40 -0.09 0.00 0.00 0.00 179.25 179.09 3gh1 h ARG 326 N 0.34 0.94 -0.89 0.00 2.43 -0.58 -0.89 114.38 115.73 3gh1 h ARG 326 Ca 0.06 -0.50 0.00 0.00 -0.81 0.00 0.00 59.98 58.72 3gh1 h ARG 326 Cb 0.58 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.15 3gh1 h ARG 326 CO 0.04 1.16 0.00 -0.89 -1.51 0.00 0.00 179.97 178.77 3gh1 n ILE 327 N -4.05 0.00 0.00 1.20 5.41 -0.57 -1.06 119.36 120.28 3gh1 n ILE 327 Ca -0.02 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.73 3gh1 n ILE 327 Cb 0.55 -0.20 0.00 0.00 -0.71 0.00 0.00 39.64 39.28 3gh1 n ILE 327 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 3gh1 n SER 329 N 0.66 0.00 0.24 4.38 2.88 -0.34 -2.58 113.62 118.85 3gh1 n SER 329 Ca 0.00 0.00 0.16 0.00 -1.33 0.00 0.00 58.87 57.70 3gh1 n SER 329 Cb 0.00 0.00 0.77 0.00 -0.75 0.00 0.00 64.21 64.23 3gh1 n SER 329 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 3gh1 h ASN 330 N 0.00 0.00 -1.09 -3.46 2.35 -1.37 -3.40 115.58 108.61 3gh1 h ASN 330 Ca 0.00 0.00 -0.74 0.00 -0.55 0.00 0.00 56.30 55.01 3gh1 h ASN 330 Cb 0.00 0.00 -0.12 0.00 0.05 0.00 0.00 38.32 38.25 3gh1 h ASN 330 CO 0.00 0.00 2.50 0.00 -1.65 0.00 0.00 177.43 178.28 3gh1 n ALA 331 N -1.95 6.84 0.00 -0.83 0.00 -1.07 -4.68 120.51 118.83 3gh1 n ALA 331 Ca -0.01 -4.05 0.00 0.00 0.00 0.00 0.00 53.44 49.38 3gh1 n ALA 331 Cb 0.16 -2.81 0.00 0.00 0.00 0.00 0.00 19.45 16.80 3gh1 n ALA 331 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3gh1 n PRO 333 N 1.85 0.00 -0.18 0.00 -0.02 -1.26 -1.46 135.00 133.93 3gh1 n PRO 333 Ca 0.63 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 62.01 3gh1 n PRO 333 Cb 0.25 0.00 0.01 0.00 -0.02 0.00 0.00 33.50 33.73 3gh1 n PRO 333 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3gh1 h LEU 334 N 0.00 0.95 -0.20 2.45 3.38 -1.97 -1.77 115.31 118.16 3gh1 h LEU 334 Ca 0.00 -0.33 0.05 0.00 0.09 0.00 0.00 57.88 57.69 3gh1 h LEU 334 Cb 0.00 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.45 3gh1 h LEU 334 CO 0.00 1.05 -0.10 0.58 0.09 0.00 0.00 178.44 180.07 3gh1 h VAL 335 N 0.83 0.69 -0.49 1.22 2.07 -1.59 -0.28 116.25 118.70 3gh1 h VAL 335 Ca 0.14 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.71 3gh1 h VAL 335 Cb 0.60 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 31.01 3gh1 h VAL 335 CO 0.04 0.00 0.24 0.03 0.02 0.00 0.00 177.57 177.89 3gh1 h ARG 336 N -0.08 0.45 -0.74 1.57 3.08 -1.80 -2.14 114.38 114.72 3gh1 h ARG 336 Ca 0.11 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.10 3gh1 h ARG 336 Cb 0.24 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.15 3gh1 h ARG 336 CO -0.25 0.30 0.36 0.37 -1.07 0.00 0.00 179.97 179.68 3gh1 h GLN 337 N 0.46 1.07 -0.28 0.04 5.75 -1.06 -1.06 115.11 120.03 3gh1 h GLN 337 Ca 0.22 -0.16 -0.14 0.00 -0.15 0.00 0.00 58.65 58.42 3gh1 h GLN 337 Cb 0.14 -0.19 -0.01 0.00 1.07 0.00 0.00 27.48 28.49 3gh1 h GLN 337 CO -0.16 0.83 -0.40 1.25 -2.65 0.00 0.00 178.83 177.70 3gh1 h HIS 338 N 1.04 0.79 -0.66 3.99 2.76 -0.73 0.45 115.15 122.80 3gh1 h HIS 338 Ca 0.25 -0.23 -0.08 0.00 -2.20 0.00 0.00 60.37 58.11 3gh1 h HIS 338 Cb 0.12 -0.17 -0.03 0.00 1.55 0.00 0.00 27.41 28.88 3gh1 h HIS 338 CO 0.01 0.96 0.08 0.00 -1.30 0.00 0.00 177.93 177.68 3gh1 h ARG 339 N 0.55 1.10 -0.43 5.26 2.47 -1.06 -1.48 114.38 120.79 3gh1 h ARG 339 Ca 0.04 -0.31 -0.01 0.00 -1.26 0.00 0.00 59.98 58.44 3gh1 h ARG 339 Cb 0.93 -0.12 -0.02 0.00 -1.65 0.00 0.00 29.97 29.11 3gh1 h ARG 339 CO 0.08 1.02 0.22 0.87 0.56 0.00 0.00 179.97 182.73 3gh1 h LYS 340 N 1.02 0.61 -0.65 0.04 1.57 -0.84 0.27 116.57 118.59 3gh1 h LYS 340 Ca 0.20 -0.08 0.10 0.00 -1.87 0.00 0.00 60.65 59.00 3gh1 h LYS 340 Cb 0.47 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.63 3gh1 h LYS 340 CO 0.02 0.50 0.43 -0.44 -0.57 0.00 0.00 179.45 179.39 3gh1 h ASP 341 N 0.55 0.41 0.22 0.86 3.32 -0.61 -1.72 116.42 119.46 3gh1 h ASP 341 Ca 0.15 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.21 3gh1 h ASP 341 Cb 0.08 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.56 3gh1 h ASP 341 CO -0.02 0.24 -0.19 0.29 -1.72 0.00 0.00 179.24 177.84 3gh1 n LYS 342 N -4.48 0.93 -3.74 3.56 4.76 -0.58 -4.93 118.16 113.67 3gh1 n LYS 342 Ca 0.11 -0.50 -0.27 0.00 -2.87 0.00 0.00 58.31 54.78 3gh1 n LYS 342 Cb 0.39 -1.49 0.05 0.00 -1.84 0.00 0.00 35.03 32.14 3gh1 n LYS 342 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 3gh1 n GLU 343 N -0.60 -6.64 -3.94 1.97 1.02 -0.65 -4.98 120.64 106.82 3gh1 n GLU 343 Ca 0.14 0.71 -0.22 0.00 -0.02 0.00 0.00 57.16 57.77 3gh1 n GLU 343 Cb 0.33 -5.68 -0.05 0.00 -0.02 0.00 0.00 31.44 26.02 3gh1 n GLU 343 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3gh1 s ASP 344 N -3.28 4.92 0.25 1.62 -1.08 0.03 -5.03 116.67 114.10 3gh1 s ASP 344 Ca 0.62 -0.69 -0.30 0.00 -0.52 0.00 0.00 52.55 51.67 3gh1 s ASP 344 Cb -0.29 -0.79 -0.09 0.00 -1.46 0.00 0.00 42.92 40.29 3gh1 s ASP 344 CO 0.77 -0.37 1.08 0.00 0.52 0.00 0.00 175.17 177.17 3gh1 s ALA 345 N -2.40 3.39 0.28 3.66 0.00 -1.25 -4.60 121.76 120.84 3gh1 s ALA 345 Ca 0.40 0.84 0.02 0.00 0.00 0.00 0.00 51.96 53.22 3gh1 s ALA 345 Cb -0.03 -3.32 0.58 0.00 0.00 0.00 0.00 23.12 20.35 3gh1 s ALA 345 CO 0.25 -0.13 1.82 1.88 0.00 0.00 0.00 175.76 179.58 3gh1 h TYR 346 N 4.21 1.13 0.00 0.00 0.05 -1.90 -3.26 116.97 117.21 3gh1 h TYR 346 Ca -0.46 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.35 3gh1 h TYR 346 Cb 1.21 -0.35 0.00 0.00 1.01 0.00 0.00 36.73 38.60 3gh1 h TYR 346 CO 0.60 0.41 -0.84 0.43 -1.05 0.00 0.00 178.16 177.72 3gh1 n SER 347 N -4.65 0.63 -3.52 3.88 7.64 -1.26 -4.75 113.62 111.59 3gh1 n SER 347 Ca 0.20 -0.20 -0.16 0.00 1.01 0.00 0.00 58.87 59.71 3gh1 n SER 347 Cb 0.39 0.57 -0.12 0.00 -1.01 0.00 0.00 64.21 64.03 3gh1 n SER 347 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 3gh1 s PHE 348 N -3.14 -0.37 -0.97 1.43 5.36 -1.23 -4.89 117.98 114.17 3gh1 s PHE 348 Ca 0.06 0.46 -0.23 0.00 -0.96 0.00 0.00 56.93 56.26 3gh1 s PHE 348 Cb 0.15 -0.25 0.05 0.00 -0.34 0.00 0.00 43.02 42.64 3gh1 s PHE 348 CO 0.77 -0.55 1.41 1.21 -1.46 0.00 0.00 175.22 176.59 3gh1 s ASN 349 N 2.37 6.46 0.23 6.13 3.84 0.08 -3.97 114.94 130.08 3gh1 s ASN 349 Ca 0.06 -1.34 0.11 0.00 0.21 0.00 0.00 52.86 51.90 3gh1 s ASN 349 Cb -0.15 -2.56 0.16 0.00 -0.55 0.00 0.00 41.25 38.15 3gh1 s ASN 349 CO -0.12 -1.53 1.49 -0.50 -2.79 0.00 0.00 177.10 173.65 3gh1 h TRP 350 N 9.78 0.00 0.00 0.43 4.06 -1.88 -3.30 115.95 125.04 3gh1 h TRP 350 Ca 0.13 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.08 3gh1 h TRP 350 Cb 1.02 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.18 3gh1 h TRP 350 CO 1.25 0.71 0.00 0.66 -3.56 0.00 0.00 178.44 177.50 3gh1 h SER 351 N 0.00 0.00 -2.51 -3.49 4.64 -1.95 -3.44 113.55 106.79 3gh1 h SER 351 Ca -0.01 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.78 3gh1 h SER 351 Cb 1.35 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 63.49 3gh1 h SER 351 CO 0.09 0.00 1.06 -0.11 -0.87 0.00 0.00 176.83 177.01 3gh1 n LEU 352 N -2.69 3.96 -4.61 5.97 7.94 -1.25 -4.92 117.00 121.41 3gh1 n LEU 352 Ca 0.04 1.01 -0.42 0.00 -1.11 0.00 0.00 56.01 55.53 3gh1 n LEU 352 Cb 0.41 -1.54 -0.05 0.00 0.53 0.00 0.00 43.42 42.77 3gh1 n LEU 352 CO 0.29 0.15 0.63 -0.75 -1.11 0.00 0.00 177.39 176.60 3gh1 s LYS 353 N 2.20 3.94 -0.26 1.96 2.47 -1.26 -5.02 119.74 123.76 3gh1 s LYS 353 Ca 0.80 0.59 0.03 0.00 -1.56 0.00 0.00 55.97 55.83 3gh1 s LYS 353 Cb -0.51 -3.74 0.06 0.00 -1.46 0.00 0.00 37.83 32.18 3gh1 s LYS 353 CO 0.36 -0.73 -0.11 0.42 0.16 0.00 0.00 175.35 175.45 3gh1 s ILE 354 N 3.06 2.17 0.72 5.43 1.01 -1.26 -4.93 121.20 127.41 3gh1 s ILE 354 Ca 0.34 -1.62 -0.11 0.00 0.00 0.00 0.00 60.65 59.25 3gh1 s ILE 354 Cb -0.14 -2.27 0.03 0.00 0.01 0.00 0.00 42.46 40.08 3gh1 s ILE 354 CO 0.14 -0.02 1.08 -1.61 0.00 0.00 0.00 174.94 174.52 3gh1 s GLU 355 N 1.11 2.66 0.39 2.79 0.41 -1.26 -4.91 118.70 119.89 3gh1 s GLU 355 Ca -0.09 1.08 0.14 0.00 -0.41 0.00 0.00 54.97 55.69 3gh1 s GLU 355 Cb -0.20 -1.95 0.97 0.00 -1.78 0.00 0.00 34.13 31.17 3gh1 s GLU 355 CO -0.05 -1.32 1.87 -1.35 -0.49 0.00 0.00 175.26 173.92 3gh1 h PRO 356 N -0.80 0.51 0.00 0.39 0.11 -1.99 -1.59 132.00 128.62 3gh1 h PRO 356 Ca -0.44 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3gh1 h PRO 356 Cb 1.22 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3gh1 h PRO 356 CO 0.54 0.33 0.00 1.05 -0.21 0.00 0.00 178.00 179.72 3gh1 h GLU 357 N 0.52 0.00 0.00 1.05 9.09 -1.95 0.23 114.58 123.52 3gh1 h GLU 357 Ca 0.44 0.00 -0.08 0.00 0.05 0.00 0.00 59.36 59.77 3gh1 h GLU 357 Cb 0.91 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.00 3gh1 h GLU 357 CO -0.18 0.00 -0.97 0.74 0.05 0.00 0.00 179.01 178.65 3gh1 h PHE 358 N 0.00 0.00 0.00 2.06 0.04 -1.65 -3.40 116.94 113.98 3gh1 h PHE 358 Ca 0.00 0.00 -0.25 0.00 2.80 0.00 0.00 57.97 60.52 3gh1 h PHE 358 Cb 0.20 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.31 3gh1 h PHE 358 CO 0.00 0.31 -2.03 1.04 -0.60 0.00 0.00 178.31 177.03 3gh1 n GLN 359 N -2.90 0.66 -1.95 1.51 6.02 0.65 -4.93 117.38 116.45 3gh1 n GLN 359 Ca -0.03 0.04 -0.42 0.00 -0.01 0.00 0.00 57.00 56.58 3gh1 n GLN 359 Cb 0.69 -1.61 -0.03 0.00 1.02 0.00 0.00 30.24 30.31 3gh1 n GLN 359 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 3gh1 s LEU 360 N -5.44 4.32 0.19 1.08 2.96 -0.35 -4.83 118.68 116.59 3gh1 s LEU 360 Ca -0.07 2.28 -0.31 0.00 -0.22 0.00 0.00 54.13 55.81 3gh1 s LEU 360 Cb 0.08 -3.53 -0.09 0.00 0.50 0.00 0.00 46.19 43.15 3gh1 s LEU 360 CO 0.84 -0.97 1.45 -2.84 -1.32 0.00 0.00 176.35 173.51 3gh1 s PRO 361 N 4.15 4.28 -0.19 0.98 0.02 -1.26 -4.97 135.00 138.01 3gh1 s PRO 361 Ca 0.76 2.23 -0.07 0.00 0.02 0.00 0.00 61.00 63.95 3gh1 s PRO 361 Cb -0.35 -3.17 -0.04 0.00 0.02 0.00 0.00 34.50 30.97 3gh1 s PRO 361 CO 0.32 -0.45 0.04 0.12 -0.33 0.00 0.00 177.00 176.70 3gh1 s PHE 362 N 0.59 3.16 -0.39 6.54 5.36 -1.26 -5.07 117.98 126.90 3gh1 s PHE 362 Ca 0.63 -0.12 -0.06 0.00 -0.96 0.00 0.00 56.93 56.42 3gh1 s PHE 362 Cb -0.40 -2.09 0.08 0.00 -0.34 0.00 0.00 43.02 40.26 3gh1 s PHE 362 CO 0.36 -0.01 0.20 -1.21 -1.46 0.00 0.00 175.22 173.10 3gh1 s GLU 363 N 0.67 2.40 0.04 10.12 0.41 -1.26 -5.06 118.70 126.03 3gh1 s GLU 363 Ca 0.02 -1.53 -0.30 0.00 -0.41 0.00 0.00 54.97 52.75 3gh1 s GLU 363 Cb -0.13 -3.62 -0.04 0.00 -1.78 0.00 0.00 34.13 28.55 3gh1 s GLU 363 CO 0.02 -0.93 1.04 -2.14 -0.49 0.00 0.00 175.26 172.76 3gh1 s PRO 364 N 1.31 4.55 0.29 0.39 0.02 -1.26 -4.74 135.00 135.56 3gh1 s PRO 364 Ca 0.03 1.53 -0.13 0.00 0.02 0.00 0.00 61.00 62.45 3gh1 s PRO 364 Cb -0.22 -3.41 0.01 0.00 0.02 0.00 0.00 34.50 30.90 3gh1 s PRO 364 CO -0.00 -0.05 0.56 0.54 -0.33 0.00 0.00 177.00 177.72 3gh1 s ASN 365 N 0.80 0.04 0.42 2.53 2.20 -1.26 -4.85 114.94 114.82 3gh1 s ASN 365 Ca 0.53 -0.98 0.20 0.00 -0.94 0.00 0.00 52.86 51.67 3gh1 s ASN 365 Cb -0.24 0.66 1.15 0.00 -2.00 0.00 0.00 41.25 40.82 3gh1 s ASN 365 CO 0.29 -1.28 1.80 0.45 -2.94 0.00 0.00 177.10 175.43 3gh1 h HIS 366 N 2.15 0.54 0.06 1.54 3.86 -1.95 -1.94 115.15 119.41 3gh1 h HIS 366 Ca -0.26 0.02 -0.16 0.00 -1.16 0.00 0.00 60.37 58.81 3gh1 h HIS 366 Cb 1.25 -0.16 0.02 0.00 1.06 0.00 0.00 27.41 29.58 3gh1 h HIS 366 CO 0.69 0.08 -0.66 1.49 0.86 0.00 0.00 177.93 180.39 3gh1 h GLU 367 N 0.35 0.34 -1.53 2.45 4.81 -1.96 -2.20 114.58 116.84 3gh1 h GLU 367 Ca 0.55 -0.45 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 3gh1 h GLU 367 Cb 1.48 0.15 0.00 0.00 0.63 0.00 0.00 28.75 31.00 3gh1 h GLU 367 CO -0.22 1.15 0.00 -1.13 -0.73 0.00 0.00 179.01 178.08 3gh1 n SER 368 N -4.20 1.48 0.00 1.04 3.41 -0.73 -1.04 113.62 113.58 3gh1 n SER 368 Ca -0.12 -0.99 0.00 0.00 -0.26 0.00 0.00 58.87 57.51 3gh1 n SER 368 Cb 0.72 -0.25 0.00 0.00 -0.26 0.00 0.00 64.21 64.43 3gh1 n SER 368 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gh1 n ALA 370 N 0.78 0.00 1.44 7.33 0.00 -0.83 -2.64 120.51 126.59 3gh1 n ALA 370 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 3gh1 n ALA 370 Cb 0.24 0.00 0.53 0.00 0.00 0.00 0.00 19.45 20.22 3gh1 n ALA 370 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3gh1 n ASN 371 N 0.00 1.02 -4.74 0.00 3.02 -0.20 -4.78 115.26 109.57 3gh1 n ASN 371 Ca 0.00 -1.08 -0.42 0.00 -0.03 0.00 0.00 54.58 53.05 3gh1 n ASN 371 Cb 0.00 0.03 -0.02 0.00 -0.61 0.00 0.00 39.78 39.18 3gh1 n ASN 371 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3gh1 n LEU 372 N -0.41 4.33 -4.43 3.41 4.77 -1.08 -4.93 117.00 118.65 3gh1 n LEU 372 Ca 0.16 1.15 -0.44 0.00 -0.03 0.00 0.00 56.01 56.86 3gh1 n LEU 372 Cb 0.32 -1.59 -0.06 0.00 -2.33 0.00 0.00 43.42 39.76 3gh1 n LEU 372 CO 0.21 0.13 0.39 -0.62 -1.33 0.00 0.00 177.39 176.17 3gh1 s ASP 373 N 0.46 6.22 -0.68 -1.43 3.68 -1.26 -4.85 116.67 118.80 3gh1 s ASP 373 Ca 0.64 -1.00 0.05 0.00 2.13 0.00 0.00 52.55 54.36 3gh1 s ASP 373 Cb -0.50 -2.31 0.26 0.00 -1.45 0.00 0.00 42.92 38.92 3gh1 s ASP 373 CO 0.49 -0.98 0.82 0.18 0.13 0.00 0.00 175.17 175.81 3gh1 n LEU 374 N 6.34 4.04 -4.35 -1.34 4.77 -1.26 -4.84 117.00 120.37 3gh1 n LEU 374 Ca -0.07 -5.43 -0.29 0.00 -0.03 0.00 0.00 56.01 50.19 3gh1 n LEU 374 Cb 0.45 -0.72 -0.14 0.00 -2.33 0.00 0.00 43.42 40.68 3gh1 n LEU 374 CO 0.56 2.03 -0.56 -1.00 -1.33 0.00 0.00 177.39 177.09 3gh1 s HIS 375 N -2.54 2.23 -1.55 -1.77 3.76 -1.26 -1.32 115.29 112.84 3gh1 s HIS 375 Ca 0.39 -0.40 0.25 0.00 -0.15 0.00 0.00 55.06 55.16 3gh1 s HIS 375 Cb 0.14 -1.27 1.33 0.00 1.11 0.00 0.00 32.58 33.90 3gh1 s HIS 375 CO -0.00 0.22 1.86 1.28 -0.85 0.00 0.00 174.74 177.25 3gh1 n LEU 376 N 1.37 0.00 -1.12 0.89 4.77 -1.26 -3.36 117.00 118.29 3gh1 n LEU 376 Ca -0.18 0.23 0.08 0.00 -0.03 0.00 0.00 56.01 56.11 3gh1 n LEU 376 Cb 0.53 -0.23 0.25 0.00 -2.33 0.00 0.00 43.42 41.64 3gh1 n LEU 376 CO 0.23 -0.04 0.70 -0.46 -1.33 0.00 0.00 177.39 176.49 3gh1 n ASN 377 N -1.23 3.25 -4.88 -1.43 6.94 -1.26 -4.94 115.26 111.71 3gh1 n ASN 377 Ca 0.14 -2.17 -0.30 0.00 -0.02 0.00 0.00 54.58 52.23 3gh1 n ASN 377 Cb 0.18 -0.43 -0.01 0.00 -2.36 0.00 0.00 39.78 37.16 3gh1 n ASN 377 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 3gh1 s GLN 378 N -1.54 3.66 0.16 -3.83 -0.21 -1.21 -5.01 119.66 111.68 3gh1 s GLN 378 Ca 0.36 0.50 -0.33 0.00 0.02 0.00 0.00 55.36 55.91 3gh1 s GLN 378 Cb 0.21 -2.27 -0.16 0.00 1.00 0.00 0.00 33.01 31.80 3gh1 s GLN 378 CO 0.21 -0.28 1.18 0.54 -2.12 0.00 0.00 175.29 174.83 3gh1 n ARG 379 N -2.10 1.18 -0.18 2.91 1.74 -1.26 -4.79 116.66 114.16 3gh1 n ARG 379 Ca 0.03 0.42 0.12 0.00 -0.77 0.00 0.00 57.85 57.66 3gh1 n ARG 379 Cb 0.54 -1.94 0.45 0.00 -1.02 0.00 0.00 32.46 30.50 3gh1 n ARG 379 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 3gh1 h PRO 380 N 3.50 0.52 -0.07 5.56 0.13 -1.93 -0.68 132.00 139.03 3gh1 h PRO 380 Ca -0.44 -0.03 -0.05 0.00 -0.87 0.00 0.00 66.00 64.61 3gh1 h PRO 380 Cb 1.34 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 3gh1 h PRO 380 CO 0.71 0.35 -0.19 0.93 -0.23 0.00 0.00 178.00 179.57 3gh1 h GLU 381 N 0.54 0.11 0.18 0.86 3.07 -1.89 0.10 114.58 117.55 3gh1 h GLU 381 Ca 0.36 -0.03 -0.28 0.00 -0.50 0.00 0.00 59.36 58.91 3gh1 h GLU 381 Cb 0.67 -0.02 0.03 0.00 -0.84 0.00 0.00 28.75 28.59 3gh1 h GLU 381 CO -0.13 0.30 -1.22 0.28 -1.40 0.00 0.00 179.01 176.84 3gh1 h VAL 382 N 0.11 1.34 -0.77 3.13 2.07 -1.59 -2.72 116.25 117.81 3gh1 h VAL 382 Ca 0.02 -2.56 0.04 0.00 0.82 0.00 0.00 66.70 65.02 3gh1 h VAL 382 Cb 0.40 2.96 -0.04 0.00 -1.52 0.00 0.00 31.29 33.08 3gh1 h VAL 382 CO 0.03 0.76 0.51 0.25 0.02 0.00 0.00 177.57 179.13 3gh1 h LEU 383 N 0.05 0.81 -1.05 2.57 5.85 -0.99 -1.86 115.31 120.69 3gh1 h LEU 383 Ca -0.20 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.45 3gh1 h LEU 383 Cb 1.94 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 42.76 3gh1 h LEU 383 CO 0.23 0.56 0.03 0.00 -0.34 0.00 0.00 178.44 178.91 3gh1 h ALA 384 N 1.55 1.22 -0.67 1.25 0.00 -0.90 -0.54 119.26 121.18 3gh1 h ALA 384 Ca 0.31 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 3gh1 h ALA 384 Cb 0.05 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3gh1 h ALA 384 CO -0.09 0.52 0.21 0.00 0.00 0.00 0.00 179.25 179.89 3gh1 h ALA 385 N 1.36 1.12 -0.14 0.00 0.00 -1.05 -0.41 119.26 120.15 3gh1 h ALA 385 Ca 0.14 -0.20 -0.22 0.00 0.00 0.00 0.00 54.91 54.63 3gh1 h ALA 385 Cb 0.38 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 17.91 3gh1 h ALA 385 CO 0.01 0.61 -0.77 -0.91 0.00 0.00 0.00 179.25 178.19 3gh1 h ASN 386 N 0.98 0.86 0.01 0.00 2.35 -0.79 -2.72 115.58 116.27 3gh1 h ASN 386 Ca 0.22 -0.56 -0.08 0.00 -0.55 0.00 0.00 56.30 55.32 3gh1 h ASN 386 Cb 0.27 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.37 3gh1 h ASN 386 CO -0.01 1.35 -0.23 -0.07 -1.65 0.00 0.00 177.43 176.82 3gh1 h LEU 387 N 0.49 0.37 -0.47 1.61 3.38 -0.97 -0.85 115.31 118.87 3gh1 h LEU 387 Ca -0.05 -0.11 0.05 0.00 0.09 0.00 0.00 57.88 57.86 3gh1 h LEU 387 Cb 1.39 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.99 3gh1 h LEU 387 CO 0.15 0.61 0.19 -0.09 0.09 0.00 0.00 178.44 179.40 3gh1 h ARG 388 N 0.34 0.37 -0.56 1.13 1.12 -0.99 -1.54 114.38 114.24 3gh1 h ARG 388 Ca 0.05 -0.02 -0.07 0.00 -1.11 0.00 0.00 59.98 58.84 3gh1 h ARG 388 Cb 0.60 -0.08 -0.02 0.00 -0.01 0.00 0.00 29.97 30.45 3gh1 h ARG 388 CO 0.04 0.24 0.09 0.00 -3.11 0.00 0.00 179.97 177.23 3gh1 h ARG 389 N 0.38 0.90 -0.26 0.20 3.08 -1.11 -1.50 114.38 116.06 3gh1 h ARG 389 Ca 0.22 -0.22 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 3gh1 h ARG 389 Cb 0.19 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 3gh1 h ARG 389 CO -0.20 0.84 0.04 0.00 -1.07 0.00 0.00 179.97 179.58 3gh1 h ALA 390 N 1.24 0.35 -0.42 0.04 0.00 -0.53 -2.06 119.26 117.88 3gh1 h ALA 390 Ca 0.18 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 3gh1 h ALA 390 Cb 0.38 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3gh1 h ALA 390 CO 0.01 0.03 0.04 0.74 0.00 0.00 0.00 179.25 180.07 3gh1 h PHE 391 N 0.25 0.67 -0.42 0.00 0.04 -1.26 -1.94 116.94 114.27 3gh1 h PHE 391 Ca 0.08 -0.07 -0.03 0.00 2.80 0.00 0.00 57.97 60.76 3gh1 h PHE 391 Cb 0.33 -0.19 -0.02 0.00 2.20 0.00 0.00 35.95 38.26 3gh1 h PHE 391 CO 0.02 0.61 0.14 1.03 -0.60 0.00 0.00 178.31 179.52 3gh1 h SER 392 N 0.62 0.55 -0.22 2.17 0.87 -1.10 -1.95 113.55 114.49 3gh1 h SER 392 Ca 0.13 -0.06 -0.17 0.00 -1.23 0.00 0.00 61.79 60.46 3gh1 h SER 392 Cb 0.33 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 62.14 3gh1 h SER 392 CO 0.01 0.52 -0.49 1.23 -0.53 0.00 0.00 176.83 177.56 3gh1 h GLY 393 N 0.78 0.87 1.00 5.77 0.00 -0.65 -1.09 103.07 109.75 3gh1 h GLY 393 Ca 0.14 -0.97 -0.05 0.00 0.00 0.00 0.00 47.33 46.45 3gh1 h GLY 393 CO -0.01 0.87 0.16 -2.08 0.00 0.00 0.00 176.54 175.48 3gh1 h VAL 394 N 0.63 1.24 0.25 4.60 2.07 -1.01 -1.80 116.25 122.22 3gh1 h VAL 394 Ca 0.03 -0.85 0.00 0.00 0.82 0.00 0.00 66.70 66.70 3gh1 h VAL 394 Cb 1.07 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 31.54 3gh1 h VAL 394 CO 0.11 0.32 -0.22 0.58 0.02 0.00 0.00 177.57 178.37 3gh1 h VAL 395 N 0.81 0.53 -0.95 2.57 2.07 -1.34 -2.35 116.25 117.59 3gh1 h VAL 395 Ca 0.18 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.83 3gh1 h VAL 395 Cb 0.31 0.53 -0.09 0.00 -1.52 0.00 0.00 31.29 30.52 3gh1 h VAL 395 CO -0.00 0.00 0.57 0.00 0.02 0.00 0.00 177.57 178.16 3gh1 h ALA 396 N 0.20 1.44 0.00 1.67 0.00 -1.12 0.10 119.26 121.56 3gh1 h ALA 396 Ca -0.01 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 3gh1 h ALA 396 Cb 0.44 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3gh1 h ALA 396 CO -0.03 0.11 -0.21 0.78 0.00 0.00 0.00 179.25 179.90 3gh1 h GLY 397 N 0.87 0.00 0.64 0.00 0.00 -1.25 -1.05 103.07 102.27 3gh1 h GLY 397 Ca 0.49 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 47.46 3gh1 h GLY 397 CO -0.30 0.00 -1.98 0.70 0.00 0.00 0.00 176.54 174.97 3gh1 n ASN 398 N -3.49 1.99 0.00 0.19 3.02 -0.58 -4.05 115.26 112.33 3gh1 n ASN 398 Ca -0.01 0.23 0.00 0.00 -0.03 0.00 0.00 54.58 54.77 3gh1 n ASN 398 Cb 0.37 -0.77 0.00 0.00 -0.61 0.00 0.00 39.78 38.77 3gh1 n ASN 398 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 3gh1 n VAL 399 N -3.43 0.00 -3.38 2.41 0.24 -0.08 -4.71 118.33 109.38 3gh1 n VAL 399 Ca -0.31 -0.19 -0.38 0.00 -2.04 0.00 0.00 64.34 61.43 3gh1 n VAL 399 Cb 1.05 0.86 -0.06 0.00 -1.47 0.00 0.00 33.84 34.22 3gh1 n VAL 399 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 3gh1 s LYS 400 N -0.55 4.06 0.16 7.34 1.02 -0.40 -4.18 119.74 127.19 3gh1 s LYS 400 Ca 0.00 0.58 -0.28 0.00 0.02 0.00 0.00 55.97 56.29 3gh1 s LYS 400 Cb 0.00 -3.20 -0.01 0.00 -0.52 0.00 0.00 37.83 34.11 3gh1 s LYS 400 CO 0.00 0.64 1.56 0.00 -0.92 0.00 0.00 175.35 176.64 3gh1 h ALA 401 N 4.49 -0.45 -0.30 5.17 0.00 -1.84 0.40 119.26 126.73 3gh1 h ALA 401 Ca -0.50 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.45 3gh1 h ALA 401 Cb 1.21 1.00 -0.01 0.00 0.00 0.00 0.00 17.79 20.00 3gh1 h ALA 401 CO 0.63 -0.89 0.04 1.05 0.00 0.00 0.00 179.25 180.08 3gh1 h GLU 402 N -0.27 0.49 0.05 0.00 9.09 -1.93 -1.97 114.58 120.03 3gh1 h GLU 402 Ca 0.15 -0.14 0.02 0.00 0.05 0.00 0.00 59.36 59.45 3gh1 h GLU 402 Cb 0.57 -0.06 -0.04 0.00 -1.65 0.00 0.00 28.75 27.58 3gh1 h GLU 402 CO -0.66 0.60 -0.24 0.78 0.05 0.00 0.00 179.01 179.54 3gh1 h GLY 403 N 0.31 -0.39 0.86 1.06 0.00 -1.52 -1.84 103.07 101.54 3gh1 h GLY 403 Ca 0.09 0.28 0.14 0.00 0.00 0.00 0.00 47.33 47.84 3gh1 h GLY 403 CO 0.01 -0.21 0.44 -2.22 0.00 0.00 0.00 176.54 174.56 3gh1 h ILE 404 N -0.40 0.80 0.28 2.60 2.04 -0.06 -2.23 117.51 120.54 3gh1 h ILE 404 Ca 0.05 -0.10 -0.01 0.00 1.00 0.00 0.00 64.86 65.79 3gh1 h ILE 404 Cb 0.46 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 37.03 3gh1 h ILE 404 CO -0.18 0.05 -0.13 0.03 0.00 0.00 0.00 178.15 177.92 3gh1 h ARG 405 N 0.29 -0.36 -0.96 2.37 3.08 -0.87 -2.10 114.38 115.84 3gh1 h ARG 405 Ca 0.31 0.02 0.29 0.00 0.07 0.00 0.00 59.98 60.67 3gh1 h ARG 405 Cb 0.81 0.08 -0.15 0.00 0.08 0.00 0.00 29.97 30.80 3gh1 h ARG 405 CO -0.07 -0.01 0.43 0.93 -1.07 0.00 0.00 179.97 180.17 3gh1 h GLU 406 N -0.82 0.26 0.01 0.04 4.39 -1.03 -0.30 114.58 117.12 3gh1 h GLU 406 Ca -0.04 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.65 3gh1 h GLU 406 Cb 0.51 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 3gh1 h GLU 406 CO 0.06 0.17 -0.00 0.82 -1.16 0.00 0.00 179.01 178.90 3gh1 h ILE 407 N 0.27 1.25 -0.80 3.13 1.08 -1.37 0.46 117.51 121.53 3gh1 h ILE 407 Ca 0.66 -0.77 0.10 0.00 -0.39 0.00 0.00 64.86 64.47 3gh1 h ILE 407 Cb 1.46 1.78 -0.08 0.00 -3.07 0.00 0.00 36.82 36.91 3gh1 h ILE 407 CO -0.64 0.20 0.44 -0.33 -0.69 0.00 0.00 178.15 177.13 3gh1 h GLU 408 N -0.34 0.69 0.00 2.37 5.08 -0.76 0.70 114.58 122.32 3gh1 h GLU 408 Ca -0.00 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3gh1 h GLU 408 Cb 0.33 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.43 3gh1 h GLU 408 CO 0.00 0.46 -0.63 0.07 -1.00 0.00 0.00 179.01 177.92 3gh1 h ARG 409 N 0.71 0.00 0.00 2.33 0.11 -1.00 -3.40 114.38 113.14 3gh1 h ARG 409 Ca 0.40 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.48 3gh1 h ARG 409 Cb 0.42 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.50 3gh1 h ARG 409 CO -0.28 0.00 0.00 0.72 0.10 0.00 0.00 179.97 180.51 3gh1 n HIS 410 N -2.73 0.00 -3.33 4.08 8.25 0.15 -5.08 115.22 116.56 3gh1 n HIS 410 Ca 0.02 -0.20 0.01 0.00 -0.26 0.00 0.00 57.72 57.29 3gh1 n HIS 410 Cb 0.53 -0.02 -0.00 0.00 1.12 0.00 0.00 29.99 31.62 3gh1 n HIS 410 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3gh1 n GLY 411 N -0.20 -1.98 3.66 -1.41 0.00 0.24 -4.93 105.19 100.57 3gh1 n GLY 411 Ca 0.00 -1.38 -0.35 0.00 0.00 0.00 0.00 46.02 44.28 3gh1 n GLY 411 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3gh1 n PRO 412 N -0.58 0.52 -2.17 1.61 -0.04 -1.26 -4.40 135.00 128.69 3gh1 n PRO 412 Ca 0.00 0.24 -0.41 0.00 -0.04 0.00 0.00 63.50 63.30 3gh1 n PRO 412 Cb 0.02 -2.36 -0.02 0.00 -0.04 0.00 0.00 33.50 31.10 3gh1 n PRO 412 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3gh1 s PHE 413 N -1.83 3.13 0.48 0.54 2.99 0.13 -4.75 117.98 118.66 3gh1 s PHE 413 Ca 0.75 1.46 0.06 0.00 0.00 0.00 0.00 56.93 59.21 3gh1 s PHE 413 Cb -0.33 -3.62 -0.00 0.00 0.00 0.00 0.00 43.02 39.07 3gh1 s PHE 413 CO 0.48 -1.66 0.33 -1.21 -0.00 0.00 0.00 175.22 173.17 3gh1 s GLU 414 N -1.74 2.32 0.00 0.44 2.02 -1.26 -0.17 118.70 120.32 3gh1 s GLU 414 Ca 0.48 -1.85 0.00 0.00 0.02 0.00 0.00 54.97 53.62 3gh1 s GLU 414 Cb -0.39 -2.14 0.00 0.00 0.10 0.00 0.00 34.13 31.71 3gh1 s GLU 414 CO 0.51 -0.37 0.00 -2.39 0.02 0.00 0.00 175.26 173.03 3gh1 n HIS 416 N -1.56 0.00 -3.77 1.61 1.44 -1.26 -2.99 115.22 108.69 3gh1 n HIS 416 Ca -0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 3gh1 n HIS 416 Cb 0.64 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.75 3gh1 n HIS 416 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3gh1 n GLY 417 N -0.64 -0.67 3.68 -1.39 0.00 -1.26 -4.43 105.19 100.48 3gh1 n GLY 417 Ca 0.00 -1.02 -0.61 0.00 0.00 0.00 0.00 46.02 44.38 3gh1 n GLY 417 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3gh1 n ASP 418 N 0.46 1.49 -0.18 1.61 2.03 -0.44 -4.85 116.55 116.67 3gh1 n ASP 418 Ca 0.00 1.14 0.04 0.00 0.52 0.00 0.00 54.79 56.48 3gh1 n ASP 418 Cb 0.00 -1.01 0.31 0.00 -0.72 0.00 0.00 41.12 39.70 3gh1 n ASP 418 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3gh1 h PRO 419 N 5.43 0.83 -0.38 -0.67 0.11 -1.98 -1.53 132.00 133.81 3gh1 h PRO 419 Ca -0.46 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3gh1 h PRO 419 Cb 1.36 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 3gh1 h PRO 419 CO 0.90 0.55 0.25 0.28 -0.21 0.00 0.00 178.00 179.77 3gh1 h VAL 420 N 0.86 1.10 0.00 3.15 2.07 -1.99 -1.49 116.25 119.94 3gh1 h VAL 420 Ca 0.29 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.62 3gh1 h VAL 420 Cb 0.07 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 3gh1 h VAL 420 CO -0.08 0.10 0.00 -0.11 0.02 0.00 0.00 177.57 177.49 3gh1 n LEU 421 N -4.82 1.13 0.00 2.57 7.94 -0.58 -2.81 117.00 120.43 3gh1 n LEU 421 Ca 0.00 -0.56 0.00 0.00 -1.11 0.00 0.00 56.01 54.34 3gh1 n LEU 421 Cb 0.02 -0.21 0.00 0.00 0.53 0.00 0.00 43.42 43.76 3gh1 n LEU 421 CO 0.35 0.19 0.00 0.29 -1.11 0.00 0.00 177.39 177.11 3gh1 n LYS 423 N 0.70 0.00 0.00 1.96 4.01 -0.56 -4.54 118.16 119.73 3gh1 n LYS 423 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 3gh1 n LYS 423 Cb 0.19 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.71 3gh1 n LYS 423 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 3gh1 n LYS 424 N 0.00 0.17 0.00 1.97 5.02 -1.12 -1.14 118.16 123.05 3gh1 n LYS 424 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3gh1 n LYS 424 Cb 0.00 -1.20 0.00 0.00 -0.02 0.00 0.00 35.03 33.81 3gh1 n LYS 424 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3gh1 n ASP 426 N 0.60 0.00 -0.04 4.39 2.03 -1.26 -1.66 116.55 120.60 3gh1 n ASP 426 Ca 0.00 0.00 -0.02 0.00 0.52 0.00 0.00 54.79 55.29 3gh1 n ASP 426 Cb 0.06 0.00 0.23 0.00 -0.72 0.00 0.00 41.12 40.69 3gh1 n ASP 426 CO 0.00 0.00 0.00 -0.61 -1.92 0.00 0.00 177.20 174.67 3gh1 h GLN 427 N 0.00 0.62 -0.15 -0.67 5.75 -1.53 -1.62 115.11 117.52 3gh1 h GLN 427 Ca 0.00 -0.15 -0.04 0.00 -0.15 0.00 0.00 58.65 58.30 3gh1 h GLN 427 Cb 0.00 -0.08 -0.00 0.00 1.07 0.00 0.00 27.48 28.47 3gh1 h GLN 427 CO 0.00 0.66 -0.08 1.25 -2.65 0.00 0.00 178.83 178.01 3gh1 h LEU 428 N 0.59 0.33 -0.86 -2.39 5.85 -1.58 -0.42 115.31 116.83 3gh1 h LEU 428 Ca 0.12 -0.42 0.06 0.00 0.84 0.00 0.00 57.88 58.48 3gh1 h LEU 428 Cb 0.41 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.29 3gh1 h LEU 428 CO 0.02 0.68 0.53 -0.07 -0.34 0.00 0.00 178.44 179.26 3gh1 h LEU 429 N -0.02 0.84 -0.55 2.25 3.38 -1.83 -0.23 115.31 119.15 3gh1 h LEU 429 Ca 0.03 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 3gh1 h LEU 429 Cb 0.56 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 3gh1 h LEU 429 CO 0.02 0.54 0.31 0.78 0.09 0.00 0.00 178.44 180.18 3gh1 h ASN 430 N 0.97 0.69 -0.16 -0.43 2.35 -1.18 -1.46 115.58 116.36 3gh1 h ASN 430 Ca 0.37 -0.08 0.03 0.00 -0.55 0.00 0.00 56.30 56.07 3gh1 h ASN 430 Cb 0.16 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.32 3gh1 h ASN 430 CO -0.17 0.57 -0.05 0.44 -1.65 0.00 0.00 177.43 176.57 3gh1 h ASP 431 N 0.75 -0.18 -0.70 5.81 3.32 -0.66 -0.69 116.42 124.06 3gh1 h ASP 431 Ca 0.20 0.05 0.14 0.00 0.02 0.00 0.00 57.03 57.44 3gh1 h ASP 431 Cb 0.03 0.11 -0.10 0.00 0.22 0.00 0.00 39.33 39.60 3gh1 h ASP 431 CO -0.03 -0.07 0.22 -0.26 -1.72 0.00 0.00 179.24 177.38 3gh1 h PHE 432 N -0.02 0.36 0.08 4.55 0.04 -0.65 0.36 116.94 121.66 3gh1 h PHE 432 Ca 0.08 0.04 -0.00 0.00 2.80 0.00 0.00 57.97 60.88 3gh1 h PHE 432 Cb 0.14 -0.05 0.00 0.00 2.20 0.00 0.00 35.95 38.24 3gh1 h PHE 432 CO -0.20 -0.00 -0.04 0.28 -0.60 0.00 0.00 178.31 177.75 3gh1 h VAL 433 N 0.35 0.93 -0.04 -0.55 2.07 -1.01 0.74 116.25 118.74 3gh1 h VAL 433 Ca 0.38 -0.03 -0.02 0.00 0.82 0.00 0.00 66.70 67.86 3gh1 h VAL 433 Cb 0.59 0.95 -0.00 0.00 -1.52 0.00 0.00 31.29 31.31 3gh1 h VAL 433 CO -0.43 0.01 -0.06 0.00 0.02 0.00 0.00 177.57 177.11 3gh1 h ALA 434 N 0.80 1.82 -0.15 1.67 0.00 -0.59 -2.08 119.26 120.73 3gh1 h ALA 434 Ca -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3gh1 h ALA 434 Cb 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3gh1 h ALA 434 CO 0.02 0.14 0.00 1.04 0.00 0.00 0.00 179.25 180.44 3gh1 n GLN 435 N -4.43 1.71 -2.56 0.00 6.02 0.07 -4.95 117.38 113.24 3gh1 n GLN 435 Ca -0.02 -1.06 -0.15 0.00 -0.01 0.00 0.00 57.00 55.76 3gh1 n GLN 435 Cb 0.16 -1.40 0.01 0.00 1.02 0.00 0.00 30.24 30.04 3gh1 n GLN 435 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3gh1 n ASN 436 N 0.28 -4.52 -2.72 1.08 3.02 -0.78 -4.95 115.26 106.68 3gh1 n ASN 436 Ca 0.16 -0.12 -0.34 0.00 -0.03 0.00 0.00 54.58 54.25 3gh1 n ASN 436 Cb 0.32 -3.51 -0.00 0.00 -0.61 0.00 0.00 39.78 35.98 3gh1 n ASN 436 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3gh1 n ARG 437 N -2.70 2.59 -1.66 3.52 1.74 0.22 -4.75 116.66 115.62 3gh1 n ARG 437 Ca -0.12 -2.99 -0.38 0.00 -0.77 0.00 0.00 57.85 53.59 3gh1 n ARG 437 Cb 0.60 -2.21 0.05 0.00 -1.02 0.00 0.00 32.46 29.88 3gh1 n ARG 437 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 3gh1 n LYS 439 N 0.09 1.19 -1.71 5.56 2.85 -1.26 -4.50 118.16 120.38 3gh1 n LYS 439 Ca 0.52 0.45 -0.41 0.00 -1.05 0.00 0.00 58.31 57.81 3gh1 n LYS 439 Cb 0.38 -2.29 0.01 0.00 -0.65 0.00 0.00 35.03 32.47 3gh1 n LYS 439 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 3gh1 n LEU 440 N -0.78 4.02 -4.93 -5.58 4.77 -1.26 -4.97 117.00 108.27 3gh1 n LEU 440 Ca 0.12 1.13 -0.25 0.00 -0.03 0.00 0.00 56.01 56.98 3gh1 n LEU 440 Cb 0.46 -1.51 0.04 0.00 -2.33 0.00 0.00 43.42 40.08 3gh1 n LEU 440 CO 0.51 -0.58 0.51 -2.84 -1.33 0.00 0.00 177.39 173.67 3gh1 s PRO 441 N -2.16 2.59 0.00 3.23 0.02 -1.26 -4.52 135.00 132.89 3gh1 s PRO 441 Ca 0.60 -0.28 0.00 0.00 0.02 0.00 0.00 61.00 61.34 3gh1 s PRO 441 Cb -0.51 -2.30 0.00 0.00 0.02 0.00 0.00 34.50 31.71 3gh1 s PRO 441 CO 0.59 -0.87 0.00 0.41 -0.33 0.00 0.00 177.00 176.80 3gh1 n GLY 442 N -2.63 0.91 0.00 0.52 0.00 -1.26 -4.97 105.19 97.76 3gh1 n GLY 442 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3gh1 n GLY 442 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gh1 n GLY 443 N -0.42 5.73 3.76 -0.02 0.00 -1.26 -5.12 105.19 107.86 3gh1 n GLY 443 Ca 0.00 -1.68 -0.35 0.00 0.00 0.00 0.00 46.02 43.99 3gh1 n GLY 443 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gh1 s SER 444 N 0.61 5.31 0.37 1.61 1.04 -1.26 -4.93 113.70 116.45 3gh1 s SER 444 Ca 0.00 2.24 -0.25 0.00 0.48 0.00 0.00 55.95 58.42 3gh1 s SER 444 Cb 0.00 -2.58 -0.12 0.00 0.10 0.00 0.00 66.02 63.42 3gh1 s SER 444 CO 0.00 -1.50 0.94 0.00 0.98 0.00 0.00 173.24 173.66 3gh1 n ALA 445 N -1.69 -0.21 -1.82 5.32 0.00 -1.26 -4.87 120.51 115.98 3gh1 n ALA 445 Ca 0.12 0.28 -0.41 0.00 0.00 0.00 0.00 53.44 53.43 3gh1 n ALA 445 Cb 0.51 -2.02 -0.02 0.00 0.00 0.00 0.00 19.45 17.92 3gh1 n ALA 445 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 3gh1 s TYR 446 N -1.22 3.03 -0.13 0.00 6.14 -1.26 -5.02 117.35 118.89 3gh1 s TYR 446 Ca 0.61 1.28 0.00 0.00 0.64 0.00 0.00 57.07 59.61 3gh1 s TYR 446 Cb -0.62 -3.73 -0.01 0.00 0.42 0.00 0.00 41.96 38.02 3gh1 s TYR 446 CO 0.58 -2.14 -0.15 -1.83 0.64 0.00 0.00 175.55 172.65 3gh1 s GLU 447 N -1.29 3.29 0.12 4.97 -1.05 -1.26 -5.10 118.70 118.39 3gh1 s GLU 447 Ca 0.53 -0.73 -0.35 0.00 -0.15 0.00 0.00 54.97 54.26 3gh1 s GLU 447 Cb -0.40 -2.59 -0.16 0.00 -0.44 0.00 0.00 34.13 30.54 3gh1 s GLU 447 CO 0.50 0.15 1.32 -2.30 0.95 0.00 0.00 175.26 175.87 3gh1 n PRO 448 N 3.69 1.28 -0.06 -4.83 -0.02 -1.26 -4.87 135.00 128.92 3gh1 n PRO 448 Ca -0.18 0.46 0.12 0.00 -2.02 0.00 0.00 63.50 61.87 3gh1 n PRO 448 Cb 0.52 -2.08 0.39 0.00 -0.02 0.00 0.00 33.50 32.32 3gh1 n PRO 448 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3gh1 s TYR 450 N -1.84 1.32 -0.10 0.00 1.13 -1.26 0.18 117.35 116.78 3gh1 s TYR 450 Ca 0.34 -0.59 -0.04 0.00 -1.41 0.00 0.00 57.07 55.37 3gh1 s TYR 450 Cb 0.19 -0.69 0.05 0.00 -1.10 0.00 0.00 41.96 40.41 3gh1 s TYR 450 CO 0.29 0.11 0.21 0.21 -2.51 0.00 0.00 175.55 173.86 3gh1 s LYS 451 N -2.75 0.12 -0.40 -3.49 2.36 0.76 -4.80 119.74 111.55 3gh1 s LYS 451 Ca 0.08 0.60 -0.26 0.00 -2.55 0.00 0.00 55.97 53.84 3gh1 s LYS 451 Cb -0.04 -0.14 0.02 0.00 -1.05 0.00 0.00 37.83 36.61 3gh1 s LYS 451 CO 0.02 -0.25 0.95 0.42 1.55 0.00 0.00 175.35 178.04 3gh1 s ILE 452 N 1.97 4.53 0.48 5.43 1.09 -1.26 -4.21 121.20 129.22 3gh1 s ILE 452 Ca -0.02 1.12 0.08 0.00 -1.10 0.00 0.00 60.65 60.73 3gh1 s ILE 452 Cb -0.12 -4.38 0.03 0.00 -1.06 0.00 0.00 42.46 36.94 3gh1 s ILE 452 CO -0.07 -0.64 0.62 -0.69 -0.10 0.00 0.00 174.94 174.05 3gh1 s VAL 453 N 3.63 2.61 0.00 2.92 1.01 -1.26 -5.01 120.40 124.29 3gh1 s VAL 453 Ca 0.39 -1.06 0.00 0.00 0.00 0.00 0.00 61.98 61.31 3gh1 s VAL 453 Cb -0.11 -2.67 0.00 0.00 0.00 0.00 0.00 36.38 33.60 3gh1 s VAL 453 CO 0.21 0.00 0.00 0.41 0.00 0.00 0.00 175.10 175.72