#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hji n ASP 46 N 0.00 5.97 -0.31 7.72 2.03 -1.26 -4.72 116.55 125.98 3hji n ASP 46 Ca 0.00 -2.70 -0.02 0.00 0.52 0.00 0.00 54.79 52.59 3hji n ASP 46 Cb 0.00 -1.58 0.10 0.00 -0.72 0.00 0.00 41.12 38.92 3hji n ASP 46 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 3hji h ILE 47 N 3.57 1.14 -0.48 5.18 1.08 -2.05 -1.15 117.51 124.80 3hji h ILE 47 Ca 0.70 -0.36 -0.09 0.00 -0.39 0.00 0.00 64.86 64.71 3hji h ILE 47 Cb 0.47 -0.01 -0.02 0.00 -3.07 0.00 0.00 36.82 34.20 3hji h ILE 47 CO 1.84 0.19 -0.07 0.24 -0.69 0.00 0.00 178.15 179.66 3hji h MET 48 N 1.06 0.90 -0.72 2.37 2.86 -2.00 -0.86 114.93 118.53 3hji h MET 48 Ca 0.33 -0.32 0.03 0.00 -2.06 0.00 0.00 59.70 57.68 3hji h MET 48 Cb -0.01 -0.06 -0.04 0.00 0.06 0.00 0.00 31.60 31.55 3hji h MET 48 CO -0.11 0.97 0.48 0.78 1.06 0.00 0.00 176.91 180.08 3hji h GLY 49 N 0.75 1.00 1.47 8.32 0.00 -1.83 -0.69 103.07 112.09 3hji h GLY 49 Ca 0.13 -0.35 -0.20 0.00 0.00 0.00 0.00 47.33 46.90 3hji h GLY 49 CO 0.04 0.32 -0.79 -0.97 0.00 0.00 0.00 176.54 175.14 3hji h TYR 50 N 0.91 0.70 -0.37 5.60 0.05 -0.87 -1.24 116.97 121.74 3hji h TYR 50 Ca 0.28 -0.33 -0.02 0.00 0.05 0.00 0.00 58.73 58.71 3hji h TYR 50 Cb 0.01 -0.10 -0.02 0.00 1.01 0.00 0.00 36.73 37.63 3hji h TYR 50 CO -0.00 1.12 0.15 -0.07 -1.05 0.00 0.00 178.16 178.31 3hji h LEU 51 N 0.33 0.51 -0.39 3.88 3.38 -0.50 0.11 115.31 122.65 3hji h LEU 51 Ca -0.05 -0.16 0.02 0.00 0.09 0.00 0.00 57.88 57.78 3hji h LEU 51 Cb 1.40 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.99 3hji h LEU 51 CO 0.14 0.54 0.22 0.40 0.09 0.00 0.00 178.44 179.83 3hji h ILE 52 N 0.46 1.03 -0.31 1.22 2.04 -1.11 0.44 117.51 121.27 3hji h ILE 52 Ca 0.12 -0.15 0.04 0.00 1.00 0.00 0.00 64.86 65.88 3hji h ILE 52 Cb 0.18 0.54 -0.04 0.00 -0.74 0.00 0.00 36.82 36.76 3hji h ILE 52 CO -0.01 0.08 0.06 -0.61 0.00 0.00 0.00 178.15 177.67 3hji h GLN 53 N 0.45 0.17 -0.47 2.37 4.15 -0.84 -0.52 115.11 120.41 3hji h GLN 53 Ca 0.16 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.57 3hji h GLN 53 Cb 0.02 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.65 3hji h GLN 53 CO -0.08 0.11 0.30 0.82 -1.93 0.00 0.00 178.83 178.05 3hji h ILE 54 N 0.17 1.14 0.00 2.39 2.04 -0.28 -1.27 117.51 121.70 3hji h ILE 54 Ca 0.15 -0.29 -0.01 0.00 1.00 0.00 0.00 64.86 65.71 3hji h ILE 54 Cb 0.16 0.48 -0.00 0.00 -0.74 0.00 0.00 36.82 36.72 3hji h ILE 54 CO -0.19 0.14 -0.03 0.24 0.00 0.00 0.00 178.15 178.31 3hji h MET 55 N 0.64 0.00 -0.46 2.37 2.86 -0.39 -2.86 114.93 117.09 3hji h MET 55 Ca 0.17 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.81 3hji h MET 55 Cb -0.03 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.63 3hji h MET 55 CO -0.03 0.03 0.00 0.09 1.06 0.00 0.00 176.91 178.05 3hji n ASN 56 N -3.16 3.32 -4.71 1.22 3.02 -0.25 -5.00 115.26 109.70 3hji n ASN 56 Ca -0.01 -1.95 -0.42 0.00 -0.03 0.00 0.00 54.58 52.17 3hji n ASN 56 Cb 0.25 -0.30 -0.03 0.00 -0.61 0.00 0.00 39.78 39.09 3hji n ASN 56 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hji s ARG 57 N -1.11 4.23 0.23 3.52 1.70 -0.55 -4.93 118.95 122.03 3hji s ARG 57 Ca 0.35 2.30 -0.06 0.00 -0.47 0.00 0.00 55.73 57.85 3hji s ARG 57 Cb 0.19 -3.25 0.35 0.00 -0.57 0.00 0.00 34.95 31.67 3hji s ARG 57 CO 0.25 -0.60 1.78 -1.00 -1.08 0.00 0.00 175.30 174.65 3hji h PRO 58 N 7.09 0.59 -2.19 3.89 0.13 -1.92 -3.33 132.00 136.25 3hji h PRO 58 Ca -0.42 -0.04 -0.59 0.00 -0.87 0.00 0.00 66.00 64.08 3hji h PRO 58 Cb 1.20 -0.13 -0.42 0.00 0.13 0.00 0.00 31.00 31.78 3hji h PRO 58 CO 0.91 0.39 -0.66 0.09 -0.23 0.00 0.00 178.00 178.50 3hji n ASN 59 N -4.86 3.58 -4.71 1.44 3.02 -1.26 -5.08 115.26 107.39 3hji n ASN 59 Ca 0.11 -3.43 -0.42 0.00 -0.03 0.00 0.00 54.58 50.81 3hji n ASN 59 Cb 0.28 -0.64 -0.03 0.00 -0.61 0.00 0.00 39.78 38.78 3hji n ASN 59 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3hji s PRO 60 N -2.60 4.19 0.02 3.52 0.04 -1.25 -4.88 135.00 134.04 3hji s PRO 60 Ca 0.42 2.42 0.23 0.00 0.04 0.00 0.00 61.00 64.11 3hji s PRO 60 Cb 0.18 -3.23 0.13 0.00 0.04 0.00 0.00 34.50 31.62 3hji s PRO 60 CO -0.05 -0.67 1.12 1.04 0.04 0.00 0.00 177.00 178.48 3hji n GLN 61 N 4.33 0.13 -3.74 4.56 1.13 -1.26 -4.84 117.38 117.69 3hji n GLN 61 Ca 0.15 -0.00 -0.14 0.00 -1.94 0.00 0.00 57.00 55.06 3hji n GLN 61 Cb 0.38 -1.54 -0.15 0.00 0.11 0.00 0.00 30.24 29.04 3hji n GLN 61 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3hji s VAL 62 N -3.09 -0.07 -0.05 5.09 1.01 -1.26 -5.05 120.40 116.98 3hji s VAL 62 Ca 0.07 0.21 -0.30 0.00 0.00 0.00 0.00 61.98 61.97 3hji s VAL 62 Cb 0.16 -0.20 -0.03 0.00 0.00 0.00 0.00 36.38 36.31 3hji s VAL 62 CO 0.78 0.09 1.08 -1.61 0.00 0.00 0.00 175.10 175.44 3hji s GLU 63 N 1.28 4.43 -0.06 2.72 8.01 -1.26 -4.87 118.70 128.95 3hji s GLU 63 Ca -0.08 1.52 0.09 0.00 0.01 0.00 0.00 54.97 56.51 3hji s GLU 63 Cb -0.12 -3.51 -0.14 0.00 -4.31 0.00 0.00 34.13 26.05 3hji s GLU 63 CO -0.05 -0.29 0.11 -0.11 0.01 0.00 0.00 175.26 174.93 3hji n LEU 64 N 4.73 0.00 0.00 1.80 7.94 -1.26 -5.12 117.00 125.10 3hji n LEU 64 Ca 0.09 0.00 0.03 0.00 -1.11 0.00 0.00 56.01 55.02 3hji n LEU 64 Cb 0.48 0.14 -0.01 0.00 0.53 0.00 0.00 43.42 44.56 3hji n LEU 64 CO 0.53 0.14 -0.04 0.61 -1.11 0.00 0.00 177.39 177.51 3hji n GLY 65 N 2.20 -2.15 3.76 -3.96 0.00 -1.26 -4.82 105.19 98.96 3hji n GLY 65 Ca -0.10 -1.45 -0.38 0.00 0.00 0.00 0.00 46.02 44.09 3hji n GLY 65 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hji s PRO 66 N -1.06 3.68 0.07 1.61 0.04 -1.26 -4.98 135.00 133.11 3hji s PRO 66 Ca 0.00 1.97 0.01 0.00 0.04 0.00 0.00 61.00 63.02 3hji s PRO 66 Cb 0.00 -2.47 -0.04 0.00 0.04 0.00 0.00 34.50 32.04 3hji s PRO 66 CO 0.00 -0.67 -0.06 0.14 0.04 0.00 0.00 177.00 176.45 3hji s VAL 67 N -1.42 0.58 0.20 -0.36 -7.23 -1.26 -5.17 120.40 105.73 3hji s VAL 67 Ca 0.63 -1.65 -0.03 0.00 -1.81 0.00 0.00 61.98 59.13 3hji s VAL 67 Cb -0.33 -1.31 0.01 0.00 0.56 0.00 0.00 36.38 35.30 3hji s VAL 67 CO 0.41 -0.74 0.31 -0.90 -0.31 0.00 0.00 175.10 173.87 3hji n ASP 68 N 0.45 -0.87 0.00 4.85 5.68 -1.26 -4.97 116.55 120.44 3hji n ASP 68 Ca -0.16 -2.00 0.12 0.00 -0.50 0.00 0.00 54.79 52.25 3hji n ASP 68 Cb 0.59 1.56 0.61 0.00 -1.14 0.00 0.00 41.12 42.74 3hji n ASP 68 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 3hji n THR 69 N -0.31 0.22 0.42 2.12 -2.24 -1.26 -3.22 114.28 110.01 3hji n THR 69 Ca -0.01 0.06 0.13 0.00 -2.27 0.00 0.00 64.05 61.96 3hji n THR 69 Cb 0.32 -0.66 0.39 0.00 -2.10 0.00 0.00 70.33 68.28 3hji n THR 69 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3hji h SER 70 N 0.00 0.00 -2.86 3.42 4.64 -2.04 -3.45 113.55 113.27 3hji h SER 70 Ca 0.00 0.00 -0.45 0.00 -0.47 0.00 0.00 61.79 60.87 3hji h SER 70 Cb 0.21 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 62.37 3hji h SER 70 CO 0.00 0.00 0.08 0.00 -0.87 0.00 0.00 176.83 176.04 3hji s ALA 72 N -2.99 3.53 0.18 0.00 0.00 -1.26 -4.40 121.76 116.81 3hji s ALA 72 Ca 0.60 0.25 -0.21 0.00 0.00 0.00 0.00 51.96 52.60 3hji s ALA 72 Cb -0.10 -3.45 0.05 0.00 0.00 0.00 0.00 23.12 19.63 3hji s ALA 72 CO 0.42 -0.78 0.58 -0.48 0.00 0.00 0.00 175.76 175.49 3hji s LEU 73 N 2.49 -0.30 0.06 0.00 0.05 -1.26 -2.20 118.68 117.53 3hji s LEU 73 Ca 0.45 -0.20 -0.03 0.00 0.05 0.00 0.00 54.13 54.41 3hji s LEU 73 Cb -0.17 2.44 -0.03 0.00 -2.05 0.00 0.00 46.19 46.38 3hji s LEU 73 CO 0.13 -1.01 0.02 0.68 -0.55 0.00 0.00 176.35 175.61 3hji s VAL 74 N -3.80 0.20 -0.10 1.48 -7.23 -0.43 -1.65 120.40 108.88 3hji s VAL 74 Ca 0.04 -1.69 0.01 0.00 -1.81 0.00 0.00 61.98 58.53 3hji s VAL 74 Cb -0.01 -1.50 0.02 0.00 0.56 0.00 0.00 36.38 35.44 3hji s VAL 74 CO -0.09 -0.91 -0.12 -0.22 -0.31 0.00 0.00 175.10 173.45 3hji s LEU 75 N -2.91 1.53 0.05 1.32 2.96 -0.14 -1.35 118.68 120.14 3hji s LEU 75 Ca 0.07 -0.35 0.05 0.00 -0.22 0.00 0.00 54.13 53.68 3hji s LEU 75 Cb 0.07 -0.93 -0.04 0.00 0.50 0.00 0.00 46.19 45.79 3hji s LEU 75 CO -0.10 -0.03 -0.09 0.00 -1.32 0.00 0.00 176.35 174.82 3hji s ASP 77 N -1.77 6.38 0.54 0.00 -1.08 0.01 -1.66 116.67 119.10 3hji s ASP 77 Ca 0.19 -0.09 0.33 0.00 -0.52 0.00 0.00 52.55 52.46 3hji s ASP 77 Cb -0.11 -2.33 1.34 0.00 -1.46 0.00 0.00 42.92 40.36 3hji s ASP 77 CO 0.10 -0.71 1.97 -0.07 0.52 0.00 0.00 175.17 176.99 3hji h LEU 78 N 9.60 0.00 -3.47 -1.34 3.38 -1.03 -3.02 115.31 119.43 3hji h LEU 78 Ca -0.26 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.60 3hji h LEU 78 Cb 1.10 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.78 3hji h LEU 78 CO 0.87 0.02 0.14 0.29 0.09 0.00 0.00 178.44 179.86 3hji n LYS 79 N -3.12 4.01 -4.23 1.13 4.01 -1.25 -4.81 118.16 113.91 3hji n LYS 79 Ca 0.01 -2.86 -0.19 0.00 -0.51 0.00 0.00 58.31 54.75 3hji n LYS 79 Cb 0.31 -2.18 -0.12 0.00 -0.51 0.00 0.00 35.03 32.54 3hji n LYS 79 CO 0.00 0.00 0.00 -0.65 -1.11 0.00 0.00 177.40 175.64 3hji s GLN 80 N -2.72 0.98 -0.22 1.97 -0.21 -1.14 -5.09 119.66 113.23 3hji s GLN 80 Ca 0.51 -1.14 -0.39 0.00 0.02 0.00 0.00 55.36 54.36 3hji s GLN 80 Cb 0.40 -0.97 -0.15 0.00 1.00 0.00 0.00 33.01 33.29 3hji s GLN 80 CO 0.13 0.20 1.77 1.17 -2.12 0.00 0.00 175.29 176.45 3hji n LYS 81 N 0.86 1.40 -2.61 2.91 3.00 -1.26 -1.72 118.16 120.74 3hji n LYS 81 Ca -0.18 0.51 -0.16 0.00 -0.00 0.00 0.00 58.31 58.48 3hji n LYS 81 Cb 0.55 -2.23 0.01 0.00 0.00 0.00 0.00 35.03 33.36 3hji n LYS 81 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 3hji n ASP 82 N 5.60 -4.83 -3.45 3.14 2.03 -1.26 -4.07 116.55 113.70 3hji n ASP 82 Ca 0.25 -0.13 -0.18 0.00 0.52 0.00 0.00 54.79 55.25 3hji n ASP 82 Cb 0.17 -3.79 0.00 0.00 -0.72 0.00 0.00 41.12 36.78 3hji n ASP 82 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 3hji n THR 83 N -4.12 -1.78 -1.82 5.18 5.66 -0.70 -4.44 114.28 112.26 3hji n THR 83 Ca -0.12 -0.10 -0.32 0.00 -3.05 0.00 0.00 64.05 60.46 3hji n THR 83 Cb 0.61 -1.57 0.03 0.00 -1.55 0.00 0.00 70.33 67.85 3hji n THR 83 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 3hji s PRO 84 N -4.49 3.04 -0.12 1.09 0.04 -1.25 -4.56 135.00 128.74 3hji s PRO 84 Ca 0.08 1.19 -0.29 0.00 0.04 0.00 0.00 61.00 62.01 3hji s PRO 84 Cb -0.04 -2.00 -0.02 0.00 0.04 0.00 0.00 34.50 32.48 3hji s PRO 84 CO 0.54 -1.03 1.17 0.08 0.04 0.00 0.00 177.00 177.80 3hji s VAL 85 N -2.59 4.40 -0.87 -0.36 1.01 -0.53 -0.81 120.40 120.65 3hji s VAL 85 Ca 0.63 1.70 0.14 0.00 0.00 0.00 0.00 61.98 64.45 3hji s VAL 85 Cb -0.17 -4.09 -0.11 0.00 0.00 0.00 0.00 36.38 32.01 3hji s VAL 85 CO 0.43 -0.07 0.66 1.33 0.00 0.00 0.00 175.10 177.45 3hji n VAL 86 N 4.95 0.00 -3.64 2.92 0.24 0.31 -0.71 118.33 122.40 3hji n VAL 86 Ca 0.12 -0.22 -0.11 0.00 -2.04 0.00 0.00 64.34 62.09 3hji n VAL 86 Cb 0.46 1.05 -0.07 0.00 -1.47 0.00 0.00 33.84 33.81 3hji n VAL 86 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 3hji s TYR 87 N -2.15 -0.91 -0.05 6.34 6.14 -1.13 -4.99 117.35 120.60 3hji s TYR 87 Ca 0.07 1.99 0.01 0.00 0.64 0.00 0.00 57.07 59.79 3hji s TYR 87 Cb 0.11 0.44 0.02 0.00 0.42 0.00 0.00 41.96 42.95 3hji s TYR 87 CO 0.51 -0.44 -0.07 0.00 0.64 0.00 0.00 175.55 176.19 3hji s ALA 88 N 0.98 0.82 0.75 3.97 0.00 -1.26 -0.96 121.76 126.06 3hji s ALA 88 Ca -0.05 -0.14 -0.11 0.00 0.00 0.00 0.00 51.96 51.66 3hji s ALA 88 Cb -0.05 -0.45 0.04 0.00 0.00 0.00 0.00 23.12 22.67 3hji s ALA 88 CO -0.09 0.03 1.08 -1.54 0.00 0.00 0.00 175.76 175.24 3hji s SER 89 N 0.82 4.82 0.36 0.00 1.04 -0.66 -4.90 113.70 115.18 3hji s SER 89 Ca -0.13 1.55 0.03 0.00 0.48 0.00 0.00 55.95 57.89 3hji s SER 89 Cb -0.15 -2.34 0.67 0.00 0.10 0.00 0.00 66.02 64.31 3hji s SER 89 CO 0.01 -1.80 2.00 -0.33 0.98 0.00 0.00 173.24 174.11 3hji h GLU 90 N -0.96 0.75 -0.33 4.02 5.08 -1.86 -2.21 114.58 119.06 3hji h GLU 90 Ca -0.45 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 57.82 3hji h GLU 90 Cb 1.24 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 30.31 3hji h GLU 90 CO 0.56 0.52 0.05 0.00 -1.00 0.00 0.00 179.01 179.14 3hji h ALA 91 N 1.62 1.48 0.08 3.43 0.00 -1.82 -1.32 119.26 122.72 3hji h ALA 91 Ca 0.20 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3hji h ALA 91 Cb -0.04 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.60 3hji h ALA 91 CO -0.04 0.38 -0.04 0.35 0.00 0.00 0.00 179.25 179.90 3hji h PHE 92 N 0.48 -0.10 -0.47 0.00 3.57 -1.64 -0.55 116.94 118.23 3hji h PHE 92 Ca 0.11 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.66 3hji h PHE 92 Cb 0.23 0.03 -0.05 0.00 2.79 0.00 0.00 35.95 38.95 3hji h PHE 92 CO 0.01 0.32 0.18 -0.07 -2.23 0.00 0.00 178.31 176.53 3hji h LEU 93 N -0.55 0.21 -0.08 0.59 3.38 -1.34 0.47 115.31 117.99 3hji h LEU 93 Ca -0.01 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 3hji h LEU 93 Cb 0.47 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 3hji h LEU 93 CO 0.02 0.15 0.04 0.22 0.09 0.00 0.00 178.44 178.96 3hji h TYR 94 N 0.37 0.12 -0.98 1.13 -0.00 -1.26 0.28 116.97 116.63 3hji h TYR 94 Ca 0.22 -0.01 0.03 0.00 -0.00 0.00 0.00 58.73 58.97 3hji h TYR 94 Cb 0.20 -0.04 -0.06 0.00 -0.00 0.00 0.00 36.73 36.84 3hji h TYR 94 CO -0.14 0.21 0.64 1.98 -0.00 0.00 0.00 178.16 180.85 3hji h MET 95 N -0.01 1.22 0.00 1.82 4.05 -0.57 -3.09 114.93 118.35 3hji h MET 95 Ca 0.03 -0.07 -0.15 0.00 -0.28 0.00 0.00 59.70 59.22 3hji h MET 95 Cb 0.14 -0.27 -0.03 0.00 -0.80 0.00 0.00 31.60 30.64 3hji h MET 95 CO -0.00 0.80 -1.20 1.79 0.23 0.00 0.00 176.91 178.53 3hji h THR 96 N 1.25 0.60 0.00 -0.77 1.35 -0.82 -3.47 112.91 111.05 3hji h THR 96 Ca 0.38 -2.06 0.00 0.00 -0.55 0.00 0.00 66.41 64.18 3hji h THR 96 Cb -0.03 2.13 0.00 0.00 -1.73 0.00 0.00 68.15 68.52 3hji h THR 96 CO -0.11 0.34 0.00 0.61 -0.25 0.00 0.00 175.52 176.11 3hji n GLY 97 N 1.35 0.95 3.90 5.82 0.00 0.98 0.02 105.19 118.22 3hji n GLY 97 Ca -0.07 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.67 3hji n GLY 97 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hji s TYR 98 N -2.51 3.51 0.46 1.61 1.51 -1.13 -4.70 117.35 116.10 3hji s TYR 98 Ca 0.00 0.75 0.06 0.00 -1.01 0.00 0.00 57.07 56.87 3hji s TYR 98 Cb 0.00 -2.22 0.02 0.00 -0.11 0.00 0.00 41.96 39.64 3hji s TYR 98 CO 0.00 -0.07 0.63 -1.54 -1.11 0.00 0.00 175.55 173.47 3hji s SER 99 N -3.64 5.54 0.19 2.29 1.04 -1.26 -4.53 113.70 113.32 3hji s SER 99 Ca 0.46 -0.30 -0.12 0.00 0.48 0.00 0.00 55.95 56.48 3hji s SER 99 Cb -0.10 -0.71 0.12 0.00 0.10 0.00 0.00 66.02 65.42 3hji s SER 99 CO 0.37 -0.88 1.83 0.78 0.98 0.00 0.00 173.24 176.32 3hji h ASN 100 N 0.46 0.80 0.03 7.02 2.35 -1.97 -1.68 115.58 122.59 3hji h ASN 100 Ca -0.41 -0.06 -0.01 0.00 -0.55 0.00 0.00 56.30 55.28 3hji h ASN 100 Cb 1.29 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 39.45 3hji h ASN 100 CO 0.47 0.62 -0.03 0.00 -1.65 0.00 0.00 177.43 176.85 3hji h ALA 101 N 1.21 1.87 0.00 -0.83 0.00 -1.95 -1.60 119.26 117.97 3hji h ALA 101 Ca 0.24 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.98 3hji h ALA 101 Cb -0.03 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3hji h ALA 101 CO -0.05 0.03 -1.00 0.93 0.00 0.00 0.00 179.25 179.17 3hji h GLU 102 N 0.00 0.00 0.01 0.00 5.08 -1.71 -3.40 114.58 114.56 3hji h GLU 102 Ca -0.00 0.00 -0.39 0.00 -1.00 0.00 0.00 59.36 57.97 3hji h GLU 102 Cb 0.05 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.23 3hji h GLU 102 CO 0.00 0.45 -2.45 1.33 -1.00 0.00 0.00 179.01 177.34 3hji n VAL 103 N -3.08 1.51 -1.68 3.13 0.24 -0.85 -4.86 118.33 112.74 3hji n VAL 103 Ca -0.04 -0.57 -0.45 0.00 -2.04 0.00 0.00 64.34 61.23 3hji n VAL 103 Cb 0.81 -1.44 -0.04 0.00 -1.47 0.00 0.00 33.84 31.70 3hji n VAL 103 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3hji n LEU 104 N -3.27 3.47 0.00 1.34 4.32 -0.63 -1.62 117.00 120.60 3hji n LEU 104 Ca -0.45 1.03 0.00 0.00 -0.02 0.00 0.00 56.01 56.57 3hji n LEU 104 Cb 0.99 -1.45 0.00 0.00 -1.62 0.00 0.00 43.42 41.34 3hji n LEU 104 CO 0.27 -0.09 0.00 0.61 -1.22 0.00 0.00 177.39 176.96 3hji n GLY 105 N 3.87 0.70 3.71 -0.72 0.00 0.12 -4.96 105.19 107.92 3hji n GLY 105 Ca 0.18 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.95 3hji n GLY 105 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hji s ARG 106 N -0.74 2.57 0.15 1.61 0.52 -0.64 -4.67 118.95 117.75 3hji s ARG 106 Ca 0.00 -1.10 -0.28 0.00 -0.52 0.00 0.00 55.73 53.83 3hji s ARG 106 Cb 0.00 -2.42 -0.07 0.00 0.52 0.00 0.00 34.95 32.98 3hji s ARG 106 CO 0.00 0.44 0.88 1.21 0.02 0.00 0.00 175.30 177.84 3hji s ASN 107 N -3.25 7.47 0.00 0.23 3.84 -1.26 -1.45 114.94 120.52 3hji s ASN 107 Ca 0.30 1.75 0.00 0.00 0.21 0.00 0.00 52.86 55.11 3hji s ASN 107 Cb -0.09 -2.55 0.00 0.00 -0.55 0.00 0.00 41.25 38.06 3hji s ASN 107 CO 0.21 0.08 0.91 0.00 -2.79 0.00 0.00 177.10 175.51 3hji h ARG 109 N 0.00 0.00 -0.00 0.00 0.11 -1.94 -2.18 114.38 110.36 3hji h ARG 109 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3hji h ARG 109 Cb 0.03 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.11 3hji h ARG 109 CO 0.00 0.00 0.00 0.27 0.10 0.00 0.00 179.97 180.34 3hji h PHE 110 N 0.00 0.00 0.00 4.08 -5.15 -1.84 0.65 116.94 114.67 3hji h PHE 110 Ca 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 3hji h PHE 110 Cb 0.03 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.20 3hji h PHE 110 CO 0.00 0.00 0.00 1.28 -2.00 0.00 0.00 178.31 177.59 3hji n LEU 111 N -3.19 0.57 0.00 2.10 4.77 -0.82 -2.66 117.00 117.77 3hji n LEU 111 Ca -0.03 0.63 0.13 0.00 -0.03 0.00 0.00 56.01 56.71 3hji n LEU 111 Cb 0.08 -0.53 0.72 0.00 -2.33 0.00 0.00 43.42 41.35 3hji n LEU 111 CO 0.21 -0.45 0.95 0.00 -1.33 0.00 0.00 177.39 176.77 3hji n GLN 112 N -2.12 0.59 -4.52 3.23 6.02 0.22 -0.26 117.38 120.55 3hji n GLN 112 Ca 0.03 0.02 -0.21 0.00 -0.01 0.00 0.00 57.00 56.84 3hji n GLN 112 Cb 0.25 -1.50 -0.15 0.00 1.02 0.00 0.00 30.24 29.86 3hji n GLN 112 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3hji s SER 113 N -2.30 1.41 0.31 1.08 0.15 -1.09 -4.74 113.70 108.53 3hji s SER 113 Ca 0.32 -0.23 0.24 0.00 0.70 0.00 0.00 55.95 56.97 3hji s SER 113 Cb 0.18 -0.15 1.12 0.00 -1.71 0.00 0.00 66.02 65.45 3hji s SER 113 CO 0.35 0.14 1.72 1.55 1.20 0.00 0.00 173.24 178.20 3hji h PRO 114 N 5.78 0.00 -0.27 5.44 0.13 -1.86 -0.56 132.00 140.66 3hji h PRO 114 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 3hji h PRO 114 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3hji h PRO 114 CO 0.49 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.86 3hji n ASP 115 N -2.30 2.82 -0.86 1.44 3.85 -1.26 -4.09 116.55 116.16 3hji n ASP 115 Ca 0.00 -1.84 -0.11 0.00 -0.71 0.00 0.00 54.79 52.14 3hji n ASP 115 Cb 0.14 -0.17 -0.05 0.00 -1.35 0.00 0.00 41.12 39.69 3hji n ASP 115 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3hji n GLY 116 N 0.88 1.13 3.24 6.12 0.00 -0.22 -4.96 105.19 111.40 3hji n GLY 116 Ca 0.13 -0.11 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 3hji n GLY 116 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3hji s MET 117 N -2.83 2.53 -0.26 1.61 -1.94 -1.26 -4.76 119.30 112.39 3hji s MET 117 Ca 0.00 -1.28 -0.03 0.00 -1.71 0.00 0.00 55.69 52.67 3hji s MET 117 Cb 0.00 -3.46 0.11 0.00 2.01 0.00 0.00 34.83 33.49 3hji s MET 117 CO 0.00 -0.73 0.20 0.08 -0.01 0.00 0.00 175.02 174.56 3hji s VAL 118 N 1.36 -0.23 0.30 -6.03 1.01 -1.26 -4.79 120.40 110.75 3hji s VAL 118 Ca -0.01 -0.49 -0.25 0.00 0.00 0.00 0.00 61.98 61.24 3hji s VAL 118 Cb -0.20 -0.88 -0.10 0.00 0.00 0.00 0.00 36.38 35.20 3hji s VAL 118 CO 0.01 -0.50 0.90 -1.59 0.00 0.00 0.00 175.10 173.92 3hji s LYS 119 N 2.23 4.52 0.68 2.72 -2.85 -1.26 -4.78 119.74 121.00 3hji s LYS 119 Ca 0.08 1.24 -0.17 0.00 -1.00 0.00 0.00 55.97 56.12 3hji s LYS 119 Cb -0.15 -2.83 -0.05 0.00 -2.06 0.00 0.00 37.83 32.74 3hji s LYS 119 CO -0.28 0.31 0.59 -2.30 0.10 0.00 0.00 175.35 173.77 3hji n PRO 120 N 0.62 0.40 -0.19 1.78 -0.02 -1.26 -2.38 135.00 133.96 3hji n PRO 120 Ca 0.01 0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.67 3hji n PRO 120 Cb 0.50 -1.85 0.00 0.00 -0.02 0.00 0.00 33.50 32.13 3hji n PRO 120 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3hji n LYS 121 N -0.69 0.00 -1.64 -0.52 4.76 -1.26 -4.95 118.16 113.87 3hji n LYS 121 Ca 0.11 0.00 -0.32 0.00 -2.87 0.00 0.00 58.31 55.23 3hji n LYS 121 Cb 0.49 -3.57 0.05 0.00 -1.84 0.00 0.00 35.03 30.17 3hji n LYS 121 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3hji s SER 122 N -2.42 5.07 -0.36 4.39 1.04 -1.00 -4.99 113.70 115.42 3hji s SER 122 Ca 0.00 1.88 -0.21 0.00 0.48 0.00 0.00 55.95 58.10 3hji s SER 122 Cb 0.00 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.59 3hji s SER 122 CO 0.00 -1.66 0.66 -0.89 0.98 0.00 0.00 173.24 172.33 3hji s THR 123 N -2.59 4.86 0.29 2.02 2.01 -1.26 -5.03 115.64 115.94 3hji s THR 123 Ca 0.64 0.61 -0.29 0.00 0.31 0.00 0.00 61.69 62.96 3hji s THR 123 Cb -0.18 -4.11 -0.10 0.00 0.01 0.00 0.00 72.50 68.12 3hji s THR 123 CO 0.46 -0.35 1.30 -0.13 -0.69 0.00 0.00 174.62 175.21 3hji s ARG 124 N 2.78 4.38 0.00 4.92 3.00 -1.26 -4.93 118.95 127.84 3hji s ARG 124 Ca 0.25 2.15 0.25 0.00 0.00 0.00 0.00 55.73 58.38 3hji s ARG 124 Cb -0.14 -3.11 0.60 0.00 0.00 0.00 0.00 34.95 32.30 3hji s ARG 124 CO 0.15 -0.18 1.49 0.36 0.00 0.00 0.00 175.30 177.12 3hji n LYS 125 N 1.41 2.03 0.00 3.54 0.00 -1.26 -4.18 118.16 119.69 3hji n LYS 125 Ca 0.02 -1.50 0.00 0.00 -0.00 0.00 0.00 58.31 56.82 3hji n LYS 125 Cb 0.42 -1.47 0.00 0.00 -0.00 0.00 0.00 35.03 33.98 3hji n LYS 125 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 3hji n TYR 126 N 0.80 0.00 -4.41 5.58 4.01 -1.26 -5.08 117.16 116.81 3hji n TYR 126 Ca 0.17 -0.05 -0.20 0.00 -0.16 0.00 0.00 57.90 57.65 3hji n TYR 126 Cb 0.48 -0.01 -0.15 0.00 -0.31 0.00 0.00 39.34 39.35 3hji n TYR 126 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3hji s VAL 127 N -0.10 0.80 -0.02 -0.72 1.01 -1.26 -4.79 120.40 115.32 3hji s VAL 127 Ca 0.00 -0.38 -0.34 0.00 0.00 0.00 0.00 61.98 61.25 3hji s VAL 127 Cb 0.00 -0.70 -0.13 0.00 0.00 0.00 0.00 36.38 35.55 3hji s VAL 127 CO 0.00 0.24 1.77 -0.67 0.00 0.00 0.00 175.10 176.45 3hji n ASP 128 N 3.18 3.27 -0.19 3.32 -0.08 -1.26 -4.63 116.55 120.16 3hji n ASP 128 Ca -0.17 1.01 -0.07 0.00 -1.51 0.00 0.00 54.79 54.05 3hji n ASP 128 Cb 0.55 -1.38 0.02 0.00 2.34 0.00 0.00 41.12 42.65 3hji n ASP 128 CO 0.00 0.00 0.00 -1.28 0.12 0.00 0.00 177.20 176.04 3hji h SER 129 N 8.07 0.72 -0.81 1.67 0.87 -1.99 -2.62 113.55 119.46 3hji h SER 129 Ca -0.47 -0.13 -0.00 0.00 -1.23 0.00 0.00 61.79 59.95 3hji h SER 129 Cb 1.27 -0.19 -0.04 0.00 -0.44 0.00 0.00 62.40 63.00 3hji h SER 129 CO 0.93 0.65 0.49 -1.13 -0.53 0.00 0.00 176.83 177.24 3hji h ASN 130 N 0.75 0.97 0.39 6.23 -1.24 -1.99 -1.74 115.58 118.95 3hji h ASN 130 Ca 0.19 -0.06 -0.01 0.00 0.71 0.00 0.00 56.30 57.12 3hji h ASN 130 Cb 0.12 -0.25 -0.01 0.00 0.73 0.00 0.00 38.32 38.92 3hji h ASN 130 CO -0.02 0.75 -0.25 0.74 -1.29 0.00 0.00 177.43 177.35 3hji h THR 131 N 1.11 0.47 -0.95 -3.57 2.02 -1.90 0.57 112.91 110.66 3hji h THR 131 Ca 0.29 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.61 3hji h THR 131 Cb -0.05 0.47 -0.08 0.00 -1.74 0.00 0.00 68.15 66.76 3hji h THR 131 CO -0.06 0.00 0.60 0.40 0.37 0.00 0.00 175.52 176.84 3hji h ILE 132 N -0.62 0.85 -0.28 3.11 2.04 -1.28 -0.54 117.51 120.79 3hji h ILE 132 Ca -0.04 -0.28 -0.05 0.00 1.00 0.00 0.00 64.86 65.48 3hji h ILE 132 Cb 0.52 -0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.54 3hji h ILE 132 CO 0.03 0.15 -0.04 -1.13 0.00 0.00 0.00 178.15 177.16 3hji h ASN 133 N 0.82 0.52 -0.67 1.72 -1.24 -0.77 -1.87 115.58 114.10 3hji h ASN 133 Ca 0.49 -0.34 0.11 0.00 0.71 0.00 0.00 56.30 57.27 3hji h ASN 133 Cb 0.66 -0.14 -0.08 0.00 0.73 0.00 0.00 38.32 39.49 3hji h ASN 133 CO -0.25 0.74 0.25 0.74 -1.29 0.00 0.00 177.43 177.61 3hji h THR 134 N 0.29 0.71 -0.21 -3.57 2.02 0.67 -0.47 112.91 112.35 3hji h THR 134 Ca 0.08 -0.14 -0.01 0.00 0.77 0.00 0.00 66.41 67.10 3hji h THR 134 Cb 0.50 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 67.16 3hji h THR 134 CO 0.02 0.08 0.09 0.24 0.37 0.00 0.00 175.52 176.31 3hji h MET 135 N 0.41 0.32 -0.54 6.66 2.86 -1.21 -2.19 114.93 121.25 3hji h MET 135 Ca 0.35 -0.06 0.06 0.00 -2.06 0.00 0.00 59.70 58.00 3hji h MET 135 Cb 0.48 -0.05 -0.06 0.00 0.06 0.00 0.00 31.60 32.04 3hji h MET 135 CO -0.36 0.37 0.23 -0.09 1.06 0.00 0.00 176.91 178.13 3hji h ARG 136 N 0.19 0.43 -0.26 1.72 2.43 -0.44 -1.36 114.38 117.08 3hji h ARG 136 Ca 0.07 -0.03 -0.11 0.00 -0.81 0.00 0.00 59.98 59.11 3hji h ARG 136 Cb 0.17 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.62 3hji h ARG 136 CO -0.01 0.28 -0.25 0.87 -1.51 0.00 0.00 179.97 179.35 3hji h LYS 137 N 0.44 0.63 -0.44 0.20 1.57 -1.06 -2.04 116.57 115.87 3hji h LYS 137 Ca 0.25 -0.33 0.03 0.00 -1.87 0.00 0.00 60.65 58.73 3hji h LYS 137 Cb 0.23 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.52 3hji h LYS 137 CO -0.22 0.93 0.24 0.00 -0.57 0.00 0.00 179.45 179.83 3hji h ALA 138 N 0.69 0.56 -0.81 3.86 0.00 -1.20 -0.71 119.26 121.64 3hji h ALA 138 Ca 0.04 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 3hji h ALA 138 Cb 0.81 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 3hji h ALA 138 CO 0.06 -0.09 0.36 0.82 0.00 0.00 0.00 179.25 180.40 3hji h ILE 139 N 0.49 1.26 -0.26 0.00 2.04 -1.23 0.27 117.51 120.07 3hji h ILE 139 Ca 0.18 -0.76 -0.06 0.00 1.00 0.00 0.00 64.86 65.22 3hji h ILE 139 Cb 0.05 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 36.36 3hji h ILE 139 CO -0.11 0.32 -0.11 0.44 0.00 0.00 0.00 178.15 178.69 3hji h ASP 140 N 1.17 0.40 -0.65 1.72 3.45 -0.75 -2.82 116.42 118.94 3hji h ASP 140 Ca 0.28 -0.09 0.00 0.00 0.43 0.00 0.00 57.03 57.64 3hji h ASP 140 Cb 0.16 -0.11 0.00 0.00 -0.56 0.00 0.00 39.33 38.82 3hji h ASP 140 CO -0.03 0.55 0.00 0.54 -1.57 0.00 0.00 179.24 178.73 3hji n ARG 141 N -4.23 3.54 -3.67 3.56 1.74 -0.33 -4.94 116.66 112.33 3hji n ARG 141 Ca 0.00 -2.77 -0.28 0.00 -0.77 0.00 0.00 57.85 54.04 3hji n ARG 141 Cb 0.30 -1.84 -0.01 0.00 -1.02 0.00 0.00 32.46 29.89 3hji n ARG 141 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3hji n ASN 142 N 1.18 -3.76 -4.70 0.55 3.02 -0.27 -4.93 115.26 106.35 3hji n ASN 142 Ca 0.25 -0.60 -0.35 0.00 -0.03 0.00 0.00 54.58 53.85 3hji n ASN 142 Cb 0.84 -3.09 -0.09 0.00 -0.61 0.00 0.00 39.78 36.83 3hji n ASN 142 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hji s ALA 143 N -3.07 3.49 0.60 5.41 0.00 0.78 -4.75 121.76 124.22 3hji s ALA 143 Ca 0.53 -0.73 -0.20 0.00 0.00 0.00 0.00 51.96 51.56 3hji s ALA 143 Cb -0.28 -1.86 -0.03 0.00 0.00 0.00 0.00 23.12 20.96 3hji s ALA 143 CO 0.65 0.35 1.31 -1.21 0.00 0.00 0.00 175.76 176.85 3hji s GLU 144 N -0.15 2.84 -0.06 0.00 2.02 -1.26 -4.40 118.70 117.69 3hji s GLU 144 Ca 0.08 2.10 -0.23 0.00 0.02 0.00 0.00 54.97 56.93 3hji s GLU 144 Cb -0.12 -2.02 0.05 0.00 0.10 0.00 0.00 34.13 32.14 3hji s GLU 144 CO 0.01 -1.38 0.52 0.54 0.02 0.00 0.00 175.26 174.97 3hji s VAL 145 N -1.38 0.02 -0.04 2.63 0.11 -0.95 -4.97 120.40 115.82 3hji s VAL 145 Ca 0.78 -0.18 -0.01 0.00 -2.93 0.00 0.00 61.98 59.64 3hji s VAL 145 Cb -0.38 -0.82 0.03 0.00 -1.53 0.00 0.00 36.38 33.68 3hji s VAL 145 CO 0.42 -0.10 0.02 -1.58 -3.33 0.00 0.00 175.10 170.53 3hji s GLN 146 N -1.02 0.22 0.19 1.54 0.74 -1.26 -1.27 119.66 118.81 3hji s GLN 146 Ca -0.10 0.19 -0.04 0.00 0.05 0.00 0.00 55.36 55.45 3hji s GLN 146 Cb -0.03 -0.58 -0.03 0.00 1.10 0.00 0.00 33.01 33.47 3hji s GLN 146 CO 0.06 -0.24 0.20 0.14 -0.55 0.00 0.00 175.29 174.91 3hji s VAL 147 N 1.60 0.03 -0.25 1.34 -7.23 0.00 -5.00 120.40 110.89 3hji s VAL 147 Ca -0.02 -1.78 -0.03 0.00 -1.81 0.00 0.00 61.98 58.35 3hji s VAL 147 Cb -0.13 -2.25 0.02 0.00 0.56 0.00 0.00 36.38 34.58 3hji s VAL 147 CO -0.03 -0.14 -0.04 -1.61 -0.31 0.00 0.00 175.10 172.97 3hji s GLU 148 N -4.08 2.94 0.05 4.82 2.02 -1.26 0.03 118.70 123.22 3hji s GLU 148 Ca 0.29 -0.91 0.07 0.00 0.02 0.00 0.00 54.97 54.44 3hji s GLU 148 Cb 0.05 -3.04 -0.03 0.00 0.10 0.00 0.00 34.13 31.22 3hji s GLU 148 CO 0.07 -0.38 -0.20 0.54 0.02 0.00 0.00 175.26 175.32 3hji s VAL 149 N 1.37 1.61 -0.20 2.63 0.11 -0.42 -4.91 120.40 120.59 3hji s VAL 149 Ca 0.01 -1.20 -0.28 0.00 -2.93 0.00 0.00 61.98 57.58 3hji s VAL 149 Cb -0.16 -1.41 -0.00 0.00 -1.53 0.00 0.00 36.38 33.28 3hji s VAL 149 CO -0.03 0.16 0.96 -0.69 -3.33 0.00 0.00 175.10 172.17 3hji s VAL 150 N -0.83 4.76 0.39 2.04 1.01 -1.26 0.35 120.40 126.86 3hji s VAL 150 Ca 0.07 1.87 0.05 0.00 0.00 0.00 0.00 61.98 63.97 3hji s VAL 150 Cb -0.09 -4.24 -0.06 0.00 0.00 0.00 0.00 36.38 31.99 3hji s VAL 150 CO 0.02 -0.09 0.04 0.20 0.00 0.00 0.00 175.10 175.27 3hji s ASN 151 N 1.20 3.17 -0.01 3.32 0.02 -0.36 -4.58 114.94 117.71 3hji s ASN 151 Ca 0.42 -1.44 0.01 0.00 -1.02 0.00 0.00 52.86 50.83 3hji s ASN 151 Cb -0.16 -0.06 -0.00 0.00 0.02 0.00 0.00 41.25 41.05 3hji s ASN 151 CO 0.09 -0.61 -0.04 -0.36 0.02 0.00 0.00 177.10 176.20 3hji s PHE 152 N -3.02 0.41 0.79 2.20 0.08 0.64 -1.57 117.98 117.51 3hji s PHE 152 Ca 0.31 -0.08 -0.12 0.00 0.12 0.00 0.00 56.93 57.17 3hji s PHE 152 Cb 0.08 -0.28 0.07 0.00 -0.57 0.00 0.00 43.02 42.32 3hji s PHE 152 CO 0.15 -0.02 1.16 0.15 -0.10 0.00 0.00 175.22 176.56 3hji s LYS 153 N -0.02 2.07 0.31 0.44 1.02 -0.23 -4.79 119.74 118.54 3hji s LYS 153 Ca 0.01 0.12 0.08 0.00 0.02 0.00 0.00 55.97 56.19 3hji s LYS 153 Cb -0.03 -1.97 0.80 0.00 -0.52 0.00 0.00 37.83 36.11 3hji s LYS 153 CO -0.00 -1.51 1.76 -0.22 -0.92 0.00 0.00 175.35 174.46 3hji h LYS 154 N -0.98 0.67 -0.07 1.68 3.64 -0.69 0.36 116.57 121.18 3hji h LYS 154 Ca -0.46 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 3hji h LYS 154 Cb 1.32 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 3hji h LYS 154 CO 0.65 0.45 0.00 0.27 -2.27 0.00 0.00 179.45 178.55 3hji n ASN 155 N -4.79 0.29 0.00 4.20 2.04 -1.26 -4.86 115.26 110.88 3hji n ASN 155 Ca 0.24 -2.00 0.00 0.00 -0.44 0.00 0.00 54.58 52.38 3hji n ASN 155 Cb 0.64 -0.04 0.00 0.00 -2.53 0.00 0.00 39.78 37.84 3hji n ASN 155 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 3hji n GLY 156 N 0.57 0.78 3.67 4.83 0.00 0.13 -5.03 105.19 110.14 3hji n GLY 156 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 3hji n GLY 156 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3hji s GLN 157 N -0.30 4.25 0.39 1.61 0.74 -1.25 -4.67 119.66 120.43 3hji s GLN 157 Ca 0.00 1.91 -0.25 0.00 0.05 0.00 0.00 55.36 57.07 3hji s GLN 157 Cb 0.00 -3.73 -0.09 0.00 1.10 0.00 0.00 33.01 30.29 3hji s GLN 157 CO 0.00 -0.67 1.07 0.50 -0.55 0.00 0.00 175.29 175.64 3hji s ARG 158 N 3.12 4.19 -0.07 1.67 3.52 -1.26 -1.07 118.95 129.05 3hji s ARG 158 Ca 0.63 1.60 -0.30 0.00 -0.13 0.00 0.00 55.73 57.52 3hji s ARG 158 Cb -0.28 -2.64 0.09 0.00 -1.56 0.00 0.00 34.95 30.56 3hji s ARG 158 CO 0.23 -0.14 0.77 -0.59 -0.81 0.00 0.00 175.30 174.76 3hji s PHE 159 N -1.56 -0.57 -0.12 5.12 -0.71 -0.61 -4.95 117.98 114.58 3hji s PHE 159 Ca 0.56 0.96 -0.22 0.00 -1.04 0.00 0.00 56.93 57.19 3hji s PHE 159 Cb -0.25 0.43 -0.03 0.00 -1.21 0.00 0.00 43.02 41.96 3hji s PHE 159 CO 0.31 -0.54 0.64 0.08 -1.34 0.00 0.00 175.22 174.37 3hji s VAL 160 N -1.28 5.06 -0.39 -2.49 1.01 -1.26 -1.23 120.40 119.82 3hji s VAL 160 Ca -0.08 1.28 -0.08 0.00 0.00 0.00 0.00 61.98 63.10 3hji s VAL 160 Cb -0.00 -3.97 0.07 0.00 0.00 0.00 0.00 36.38 32.47 3hji s VAL 160 CO 0.07 0.22 0.21 0.21 0.00 0.00 0.00 175.10 175.81 3hji s ASN 161 N 0.88 5.52 -0.88 3.32 3.84 0.16 -4.41 114.94 123.37 3hji s ASN 161 Ca 0.33 -1.43 -0.25 0.00 0.21 0.00 0.00 52.86 51.72 3hji s ASN 161 Cb -0.17 -1.94 0.02 0.00 -0.55 0.00 0.00 41.25 38.62 3hji s ASN 161 CO 0.14 -0.47 1.50 0.12 -2.79 0.00 0.00 177.10 175.60 3hji s PHE 162 N 1.40 2.28 -0.12 0.43 5.99 0.34 -1.30 117.98 127.00 3hji s PHE 162 Ca 0.02 -0.26 -0.10 0.00 0.00 0.00 0.00 56.93 56.59 3hji s PHE 162 Cb -0.22 -4.53 -0.05 0.00 0.00 0.00 0.00 43.02 38.22 3hji s PHE 162 CO 0.02 -1.99 0.22 -1.17 -0.00 0.00 0.00 175.22 172.30 3hji s LEU 163 N 6.28 4.34 -0.09 6.12 2.96 0.10 -2.55 118.68 135.84 3hji s LEU 163 Ca 0.48 0.53 0.02 0.00 -0.22 0.00 0.00 54.13 54.93 3hji s LEU 163 Cb -0.04 -2.23 0.02 0.00 0.50 0.00 0.00 46.19 44.43 3hji s LEU 163 CO 0.01 0.29 -0.12 -0.89 -1.32 0.00 0.00 176.35 174.32 3hji s THR 164 N -0.47 1.22 -0.08 3.68 2.01 -0.86 -0.82 115.64 120.32 3hji s THR 164 Ca 0.16 -0.49 0.05 0.00 0.31 0.00 0.00 61.69 61.71 3hji s THR 164 Cb -0.13 -1.14 -0.00 0.00 0.01 0.00 0.00 72.50 71.24 3hji s THR 164 CO 0.05 0.38 -0.24 -0.04 -0.69 0.00 0.00 174.62 174.08 3hji s MET 165 N 0.97 2.82 -0.08 4.92 -1.94 -0.40 -0.03 119.30 125.56 3hji s MET 165 Ca -0.08 -0.86 0.01 0.00 -1.71 0.00 0.00 55.69 53.05 3hji s MET 165 Cb -0.15 -2.20 0.02 0.00 2.01 0.00 0.00 34.83 34.51 3hji s MET 165 CO -0.00 0.23 -0.09 0.42 -0.01 0.00 0.00 175.02 175.57 3hji s ILE 166 N 0.20 0.97 0.42 2.53 -1.09 -0.16 -2.25 121.20 121.82 3hji s ILE 166 Ca -0.14 -0.33 -0.25 0.00 -2.23 0.00 0.00 60.65 57.70 3hji s ILE 166 Cb -0.17 -0.94 -0.08 0.00 -1.58 0.00 0.00 42.46 39.69 3hji s ILE 166 CO 0.07 0.33 1.26 -2.16 -1.23 0.00 0.00 174.94 173.21 3hji s PRO 167 N 1.10 3.92 -0.06 2.79 0.04 -1.26 -0.98 135.00 140.55 3hji s PRO 167 Ca -0.07 2.04 0.04 0.00 0.04 0.00 0.00 61.00 63.05 3hji s PRO 167 Cb -0.14 -2.68 0.00 0.00 0.04 0.00 0.00 34.50 31.72 3hji s PRO 167 CO -0.01 -0.49 -0.18 0.08 0.04 0.00 0.00 177.00 176.44 3hji s VAL 168 N -1.33 1.51 0.12 -0.36 1.01 0.14 -4.88 120.40 116.61 3hji s VAL 168 Ca 0.58 -0.74 -0.19 0.00 0.00 0.00 0.00 61.98 61.64 3hji s VAL 168 Cb -0.35 -1.31 -0.07 0.00 0.00 0.00 0.00 36.38 34.64 3hji s VAL 168 CO 0.45 0.43 0.60 -0.13 0.00 0.00 0.00 175.10 176.46 3hji s ARG 169 N 0.22 4.19 0.00 2.72 0.52 -1.26 -0.90 118.95 124.43 3hji s ARG 169 Ca -0.09 0.73 0.00 0.00 -0.52 0.00 0.00 55.73 55.86 3hji s ARG 169 Cb -0.14 -3.12 0.00 0.00 0.52 0.00 0.00 34.95 32.21 3hji s ARG 169 CO 0.04 0.57 0.00 -0.40 0.02 0.00 0.00 175.30 175.52 3hji n ASP 170 N 1.37 0.00 0.23 0.23 5.68 -1.08 -4.86 116.55 118.12 3hji n ASP 170 Ca -0.08 -0.55 0.15 0.00 -0.50 0.00 0.00 54.79 53.81 3hji n ASP 170 Cb 0.51 0.00 0.80 0.00 -1.14 0.00 0.00 41.12 41.29 3hji n ASP 170 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 3hji h GLU 171 N 0.00 0.00 0.00 0.11 9.09 -1.98 -1.15 114.58 120.65 3hji h GLU 171 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3hji h GLU 171 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 3hji h GLU 171 CO 0.00 0.00 0.00 1.79 0.05 0.00 0.00 179.01 180.85 3hji h THR 172 N 0.00 0.00 0.00 -1.06 1.35 -2.02 -3.47 112.91 107.71 3hji h THR 172 Ca 0.00 -0.69 0.00 0.00 -0.55 0.00 0.00 66.41 65.17 3hji h THR 172 Cb 0.05 1.68 0.00 0.00 -1.73 0.00 0.00 68.15 68.15 3hji h THR 172 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 3hji n GLY 173 N 1.16 0.83 3.65 5.82 0.00 -0.43 -5.05 105.19 111.17 3hji n GLY 173 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 3hji n GLY 173 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hji s GLU 174 N -0.66 2.63 -0.07 1.61 2.02 -1.26 -4.85 118.70 118.12 3hji s GLU 174 Ca 0.00 -0.71 -0.36 0.00 0.02 0.00 0.00 54.97 53.92 3hji s GLU 174 Cb 0.00 -2.57 -0.14 0.00 0.10 0.00 0.00 34.13 31.52 3hji s GLU 174 CO 0.00 0.60 1.69 0.66 0.02 0.00 0.00 175.26 178.23 3hji n TYR 175 N 1.27 2.09 0.00 1.61 4.01 -1.26 -2.63 117.16 122.25 3hji n TYR 175 Ca -0.14 0.32 0.00 0.00 -0.16 0.00 0.00 57.90 57.92 3hji n TYR 175 Cb 0.52 -2.52 0.00 0.00 -0.31 0.00 0.00 39.34 37.03 3hji n TYR 175 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 3hji n ARG 176 N 4.94 0.22 -4.65 -0.72 3.00 -0.08 -4.89 116.66 114.48 3hji n ARG 176 Ca 0.22 0.00 -0.29 0.00 -0.00 0.00 0.00 57.85 57.78 3hji n ARG 176 Cb 0.22 -0.86 -0.09 0.00 0.00 0.00 0.00 32.46 31.73 3hji n ARG 176 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.63 178.34 3hji s TYR 177 N -1.72 2.13 -0.03 -0.14 1.51 -0.79 -0.36 117.35 117.94 3hji s TYR 177 Ca 0.00 -0.87 0.01 0.00 -1.01 0.00 0.00 57.07 55.20 3hji s TYR 177 Cb 0.00 -1.60 0.02 0.00 -0.11 0.00 0.00 41.96 40.27 3hji s TYR 177 CO 0.00 0.24 -0.04 0.45 -1.11 0.00 0.00 175.55 175.09 3hji s SER 178 N -3.74 0.79 -0.18 2.29 0.15 -0.66 0.27 113.70 112.61 3hji s SER 178 Ca 0.23 -0.11 -0.04 0.00 0.70 0.00 0.00 55.95 56.73 3hji s SER 178 Cb 0.06 -0.34 -0.02 0.00 -1.71 0.00 0.00 66.02 64.01 3hji s SER 178 CO 0.11 -0.04 -0.04 -0.32 1.20 0.00 0.00 173.24 174.16 3hji s MET 179 N 0.72 3.54 -0.04 5.44 1.75 -0.16 -1.16 119.30 129.39 3hji s MET 179 Ca -0.09 -0.57 0.01 0.00 -1.25 0.00 0.00 55.69 53.79 3hji s MET 179 Cb -0.12 -2.95 -0.03 0.00 2.84 0.00 0.00 34.83 34.56 3hji s MET 179 CO -0.00 0.05 -0.04 0.20 -0.65 0.00 0.00 175.02 174.58 3hji s GLY 180 N 0.86 1.78 -0.21 2.11 0.00 -0.46 -0.99 107.32 110.41 3hji s GLY 180 Ca -0.01 -0.92 0.02 0.00 0.00 0.00 0.00 44.72 43.81 3hji s GLY 180 CO 0.01 -0.73 -0.15 -1.36 0.00 0.00 0.00 173.10 170.87 3hji s PHE 181 N -0.93 2.86 0.04 1.90 0.08 0.95 -1.31 117.98 121.57 3hji s PHE 181 Ca 0.15 -1.86 -0.10 0.00 0.12 0.00 0.00 56.93 55.24 3hji s PHE 181 Cb -0.11 -1.86 -0.05 0.00 -0.57 0.00 0.00 43.02 40.42 3hji s PHE 181 CO 0.05 -0.82 0.37 -0.65 -0.10 0.00 0.00 175.22 174.07 3hji s GLN 182 N 1.25 3.75 -0.09 0.44 1.11 -0.93 -2.03 119.66 123.16 3hji s GLN 182 Ca -0.01 0.17 -0.03 0.00 0.01 0.00 0.00 55.36 55.50 3hji s GLN 182 Cb -0.16 -3.07 0.04 0.00 -1.01 0.00 0.00 33.01 28.81 3hji s GLN 182 CO -0.09 0.62 0.07 0.00 0.01 0.00 0.00 175.29 175.89