#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a1h h PRO 104 N 0.00 -0.30 -6.77 -0.14 0.13 -1.89 -3.44 132.00 119.59 1a1h h PRO 104 Ca 0.00 0.02 -0.50 0.00 -0.87 0.00 0.00 66.00 64.65 1a1h h PRO 104 Cb 0.00 0.07 -0.00 0.00 0.13 0.00 0.00 31.00 31.20 1a1h h PRO 104 CO 0.00 -0.20 0.41 0.71 -0.23 0.00 0.00 178.00 178.69 1a1h s TYR 105 N -3.79 3.78 0.11 1.56 1.51 -0.94 -4.94 117.35 114.65 1a1h s TYR 105 Ca -0.05 1.80 0.01 0.00 -1.01 0.00 0.00 57.07 57.82 1a1h s TYR 105 Cb 0.01 -3.14 -0.04 0.00 -0.11 0.00 0.00 41.96 38.68 1a1h s TYR 105 CO 0.16 -0.06 -0.02 0.00 -1.11 0.00 0.00 175.55 174.52 1a1h s ALA 106 N -1.13 0.95 -0.41 3.71 0.00 -1.26 -0.22 121.76 123.40 1a1h s ALA 106 Ca 0.43 -1.40 -0.16 0.00 0.00 0.00 0.00 51.96 50.83 1a1h s ALA 106 Cb -0.29 0.41 0.02 0.00 0.00 0.00 0.00 23.12 23.26 1a1h s ALA 106 CO 0.36 -0.33 0.34 0.00 0.00 0.00 0.00 175.76 176.14 1a1h h PRO 108 N 8.65 0.00 -6.94 0.00 0.11 -1.92 -3.45 132.00 128.46 1a1h h PRO 108 Ca -0.27 0.00 -0.55 0.00 0.11 0.00 0.00 66.00 65.29 1a1h h PRO 108 Cb 1.12 0.00 0.13 0.00 0.11 0.00 0.00 31.00 32.36 1a1h h PRO 108 CO 0.75 0.00 0.61 0.28 -0.21 0.00 0.00 178.00 179.43 1a1h n VAL 109 N -3.80 2.90 0.00 3.15 0.31 -1.26 -4.95 118.33 114.68 1a1h n VAL 109 Ca -0.02 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.81 1a1h n VAL 109 Cb 0.12 -1.72 0.00 0.00 -0.91 0.00 0.00 33.84 31.34 1a1h n VAL 109 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1a1h n GLU 110 N -0.26 0.00 -0.33 5.55 -0.58 -1.26 -3.23 120.64 120.53 1a1h n GLU 110 Ca 0.07 0.81 0.08 0.00 -0.42 0.00 0.00 57.16 57.69 1a1h n GLU 110 Cb 0.41 -1.44 0.24 0.00 -0.57 0.00 0.00 31.44 30.08 1a1h n GLU 110 CO 0.00 0.00 0.00 0.77 -0.48 0.00 0.00 177.13 177.42 1a1h h SER 111 N 0.00 0.76 -3.91 1.62 0.02 -1.97 -3.44 113.55 106.64 1a1h h SER 111 Ca 0.00 0.07 -0.49 0.00 -0.84 0.00 0.00 61.79 60.53 1a1h h SER 111 Cb 0.00 -0.07 0.02 0.00 0.14 0.00 0.00 62.40 62.48 1a1h h SER 111 CO 0.00 0.37 0.43 0.00 -1.14 0.00 0.00 176.83 176.48 1a1h n ASP 113 N 0.34 3.38 -4.92 0.00 9.92 -1.26 -4.80 116.55 119.20 1a1h n ASP 113 Ca 0.03 -3.21 -0.23 0.00 -0.53 0.00 0.00 54.79 50.85 1a1h n ASP 113 Cb 0.48 -0.40 -0.03 0.00 -0.64 0.00 0.00 41.12 40.53 1a1h n ASP 113 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 1a1h s ARG 114 N -3.37 3.30 -0.00 -1.24 1.81 -1.26 -5.05 118.95 113.13 1a1h s ARG 114 Ca 0.42 -0.79 -0.05 0.00 -1.72 0.00 0.00 55.73 53.59 1a1h s ARG 114 Cb 0.38 -2.83 -0.00 0.00 -0.45 0.00 0.00 34.95 32.05 1a1h s ARG 114 CO -0.01 0.45 0.10 1.03 -0.68 0.00 0.00 175.30 176.19 1a1h s ARG 115 N -3.71 0.37 -0.01 3.54 0.52 -1.26 -2.62 118.95 115.77 1a1h s ARG 115 Ca 0.34 -0.31 0.05 0.00 -0.52 0.00 0.00 55.73 55.28 1a1h s ARG 115 Cb -0.09 0.15 -0.01 0.00 0.52 0.00 0.00 34.95 35.52 1a1h s ARG 115 CO 0.28 -0.08 -0.15 -0.06 0.02 0.00 0.00 175.30 175.30 1a1h s PHE 116 N -1.06 1.40 0.11 -0.53 0.40 0.69 -4.64 117.98 114.35 1a1h s PHE 116 Ca -0.12 -0.28 -0.14 0.00 -0.60 0.00 0.00 56.93 55.80 1a1h s PHE 116 Cb -0.07 -0.91 -0.10 0.00 0.51 0.00 0.00 43.02 42.46 1a1h s PHE 116 CO 0.01 -0.04 1.40 0.66 0.70 0.00 0.00 175.22 177.94 1a1h h SER 117 N 5.82 0.85 -2.96 1.36 4.64 -1.95 -2.50 113.55 118.80 1a1h h SER 117 Ca -0.35 -0.52 -0.62 0.00 -0.47 0.00 0.00 61.79 59.84 1a1h h SER 117 Cb 1.16 -0.24 -0.05 0.00 -0.31 0.00 0.00 62.40 62.95 1a1h h SER 117 CO 0.49 1.20 -0.29 -1.10 -0.87 0.00 0.00 176.83 176.26 1a1h s GLN 118 N -4.19 3.74 0.28 4.77 -0.21 -1.26 -4.70 119.66 118.09 1a1h s GLN 118 Ca -0.12 0.18 -0.04 0.00 0.02 0.00 0.00 55.36 55.41 1a1h s GLN 118 Cb 0.09 -3.13 0.37 0.00 1.00 0.00 0.00 33.01 31.34 1a1h s GLN 118 CO 0.86 0.66 1.95 1.03 -2.12 0.00 0.00 175.29 177.67 1a1h h SER 119 N 4.37 1.02 -0.87 5.90 0.87 -2.00 -2.74 113.55 120.10 1a1h h SER 119 Ca -0.51 -0.03 0.02 0.00 -1.23 0.00 0.00 61.79 60.03 1a1h h SER 119 Cb 1.21 -0.26 -0.05 0.00 -0.44 0.00 0.00 62.40 62.87 1a1h h SER 119 CO 0.63 0.75 0.58 1.23 -0.53 0.00 0.00 176.83 179.49 1a1h h GLY 120 N 1.20 1.24 2.00 5.77 0.00 -1.97 -2.50 103.07 108.81 1a1h h GLY 120 Ca 0.32 -0.45 -0.11 0.00 0.00 0.00 0.00 47.33 47.09 1a1h h GLY 120 CO -0.07 0.42 -0.54 1.76 0.00 0.00 0.00 176.54 178.11 1a1h h SER 121 N 1.15 0.00 -0.09 0.19 0.02 -1.89 -1.39 113.55 111.53 1a1h h SER 121 Ca 0.33 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.24 1a1h h SER 121 Cb -0.08 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.46 1a1h h SER 121 CO -0.08 0.54 -0.09 0.25 -1.14 0.00 0.00 176.83 176.31 1a1h h LEU 122 N 0.00 0.24 -0.84 5.07 5.85 -1.39 -1.98 115.31 122.27 1a1h h LEU 122 Ca -0.01 -0.48 0.00 0.00 0.84 0.00 0.00 57.88 58.24 1a1h h LEU 122 Cb 1.00 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.97 1a1h h LEU 122 CO 0.07 0.67 0.00 0.71 -0.34 0.00 0.00 178.44 179.55 1a1h h THR 123 N -0.18 0.00 0.11 1.05 1.35 -1.39 -1.62 112.91 112.23 1a1h h THR 123 Ca 0.02 -0.45 -0.19 0.00 -0.55 0.00 0.00 66.41 65.24 1a1h h THR 123 Cb 0.60 1.34 0.02 0.00 -1.73 0.00 0.00 68.15 68.38 1a1h h THR 123 CO 0.02 0.00 -0.83 -0.09 -0.25 0.00 0.00 175.52 174.38 1a1h h ARG 124 N 0.00 0.36 -0.53 4.72 2.43 -1.18 -3.29 114.38 116.88 1a1h h ARG 124 Ca 0.00 -0.54 -0.06 0.00 -0.81 0.00 0.00 59.98 58.57 1a1h h ARG 124 Cb 0.53 0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 30.25 1a1h h ARG 124 CO 0.00 1.23 0.10 1.25 -1.51 0.00 0.00 179.97 181.04 1a1h h HIS 125 N -0.24 0.86 -0.08 2.20 2.76 -1.15 -2.60 115.15 116.91 1a1h h HIS 125 Ca -0.14 -0.09 0.02 0.00 -2.20 0.00 0.00 60.37 57.97 1a1h h HIS 125 Cb 1.61 -0.25 -0.00 0.00 1.55 0.00 0.00 27.41 30.32 1a1h h HIS 125 CO 0.18 0.74 0.10 0.82 -1.30 0.00 0.00 177.93 178.47 1a1h h ILE 126 N 0.79 0.42 0.00 6.26 1.08 -1.37 -0.90 117.51 123.80 1a1h h ILE 126 Ca 0.17 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.63 1a1h h ILE 126 Cb 0.34 0.92 -0.00 0.00 -3.07 0.00 0.00 36.82 35.00 1a1h h ILE 126 CO 0.00 0.00 -0.05 0.03 -0.69 0.00 0.00 178.15 177.44 1a1h h ARG 127 N 0.00 0.00 -0.74 2.37 3.08 -1.55 -1.62 114.38 115.93 1a1h h ARG 127 Ca 0.04 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.05 1a1h h ARG 127 Cb 0.24 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.25 1a1h h ARG 127 CO -0.00 0.05 0.30 0.82 -1.07 0.00 0.00 179.97 180.07 1a1h h ILE 128 N 0.00 1.25 0.00 2.04 2.04 -1.32 0.34 117.51 121.86 1a1h h ILE 128 Ca -0.00 -0.78 -0.11 0.00 1.00 0.00 0.00 64.86 64.97 1a1h h ILE 128 Cb 0.31 0.38 0.01 0.00 -0.74 0.00 0.00 36.82 36.78 1a1h h ILE 128 CO 0.01 0.32 -0.44 0.45 0.00 0.00 0.00 178.15 178.49 1a1h h HIS 129 N 1.06 0.43 0.00 1.37 3.86 -1.46 -3.28 115.15 117.13 1a1h h HIS 129 Ca 0.25 -0.24 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 1a1h h HIS 129 Cb 0.20 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 28.62 1a1h h HIS 129 CO 0.02 1.06 0.00 1.79 0.86 0.00 0.00 177.93 181.65 1a1h h THR 130 N -0.32 0.00 -0.30 2.45 1.35 -1.36 -3.47 112.91 111.26 1a1h h THR 130 Ca -0.06 -0.56 -0.13 0.00 -0.55 0.00 0.00 66.41 65.12 1a1h h THR 130 Cb 1.18 1.52 -0.05 0.00 -1.73 0.00 0.00 68.15 69.07 1a1h h THR 130 CO 0.09 0.00 -0.12 0.61 -0.25 0.00 0.00 175.52 175.85 1a1h n GLY 131 N 0.97 0.82 3.72 5.82 0.00 0.12 -4.98 105.19 111.66 1a1h n GLY 131 Ca 0.04 -0.37 -0.42 0.00 0.00 0.00 0.00 46.02 45.27 1a1h n GLY 131 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1a1h s GLN 132 N -2.14 4.33 -0.51 1.61 0.74 -1.15 -4.98 119.66 117.56 1a1h s GLN 132 Ca 0.00 2.06 0.04 0.00 0.05 0.00 0.00 55.36 57.50 1a1h s GLN 132 Cb 0.00 -3.25 0.16 0.00 1.10 0.00 0.00 33.01 31.02 1a1h s GLN 132 CO 0.00 -0.42 0.36 0.15 -0.55 0.00 0.00 175.29 174.82 1a1h s LYS 133 N 1.06 1.46 0.41 1.67 1.02 -1.26 -4.57 119.74 119.54 1a1h s LYS 133 Ca 0.64 -2.43 0.11 0.00 0.02 0.00 0.00 55.97 54.32 1a1h s LYS 133 Cb -0.36 -2.26 0.88 0.00 -0.52 0.00 0.00 37.83 35.57 1a1h s LYS 133 CO 0.30 -1.29 1.96 -1.35 -0.92 0.00 0.00 175.35 174.05 1a1h h PRO 134 N 5.90 0.15 -4.91 -1.68 0.11 -1.80 -3.39 132.00 126.38 1a1h h PRO 134 Ca 0.15 -0.03 -0.65 0.00 0.11 0.00 0.00 66.00 65.58 1a1h h PRO 134 Cb 0.87 -0.02 -0.20 0.00 0.11 0.00 0.00 31.00 31.75 1a1h h PRO 134 CO 0.50 0.29 -0.58 -0.06 -0.21 0.00 0.00 178.00 177.94 1a1h s PHE 135 N -4.74 3.15 -0.01 0.65 0.40 -1.05 -4.96 117.98 111.42 1a1h s PHE 135 Ca -0.05 -0.21 0.01 0.00 -0.60 0.00 0.00 56.93 56.07 1a1h s PHE 135 Cb 0.16 -2.31 -0.04 0.00 0.51 0.00 0.00 43.02 41.34 1a1h s PHE 135 CO 0.72 -0.29 0.02 -1.14 0.70 0.00 0.00 175.22 175.23 1a1h s GLN 136 N 1.67 2.88 -0.40 0.44 0.74 -1.26 -0.59 119.66 123.14 1a1h s GLN 136 Ca 0.07 -0.55 -0.26 0.00 0.05 0.00 0.00 55.36 54.67 1a1h s GLN 136 Cb -0.16 -2.73 0.02 0.00 1.10 0.00 0.00 33.01 31.24 1a1h s GLN 136 CO 0.07 0.64 0.93 0.00 -0.55 0.00 0.00 175.29 176.38 1a1h n ARG 138 N 6.95 0.39 -0.13 0.00 1.85 -1.26 0.05 116.66 124.50 1a1h n ARG 138 Ca 0.07 0.00 -0.25 0.00 -1.00 0.00 0.00 57.85 56.67 1a1h n ARG 138 Cb 0.48 -1.50 -0.10 0.00 -1.05 0.00 0.00 32.46 30.29 1a1h n ARG 138 CO 0.00 0.00 0.00 -0.89 -0.01 0.00 0.00 177.63 176.73 1a1h n ILE 139 N -1.00 1.49 0.13 8.89 2.08 -1.26 -4.69 119.36 125.00 1a1h n ILE 139 Ca 0.09 -0.45 0.02 0.00 0.56 0.00 0.00 62.75 62.98 1a1h n ILE 139 Cb 0.04 -1.71 0.02 0.00 -0.75 0.00 0.00 39.64 37.25 1a1h n ILE 139 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1a1h n MET 141 N 0.18 -0.13 -2.14 0.00 2.81 0.11 -4.99 117.12 112.95 1a1h n MET 141 Ca 0.03 0.03 -0.41 0.00 -1.81 0.00 0.00 57.70 55.54 1a1h n MET 141 Cb 0.14 -3.64 -0.03 0.00 -0.71 0.00 0.00 33.22 28.99 1a1h n MET 141 CO 0.00 0.00 0.00 0.50 1.51 0.00 0.00 175.97 177.98 1a1h s ARG 142 N -0.60 4.35 0.06 0.03 3.52 -1.26 -4.61 118.95 120.44 1a1h s ARG 142 Ca 0.00 2.17 -0.06 0.00 -0.13 0.00 0.00 55.73 57.71 1a1h s ARG 142 Cb 0.00 -3.13 -0.05 0.00 -1.56 0.00 0.00 34.95 30.21 1a1h s ARG 142 CO 0.00 -0.26 0.32 -0.80 -0.81 0.00 0.00 175.30 173.75 1a1h s ASN 143 N 0.01 6.52 0.11 -2.12 0.01 -1.26 -1.57 114.94 116.63 1a1h s ASN 143 Ca 0.54 0.60 0.06 0.00 -0.71 0.00 0.00 52.86 53.35 1a1h s ASN 143 Cb -0.39 -2.10 -0.04 0.00 0.41 0.00 0.00 41.25 39.14 1a1h s ASN 143 CO 0.45 0.18 -0.15 -0.36 -1.51 0.00 0.00 177.10 175.70 1a1h s PHE 144 N -1.43 1.41 0.08 2.20 0.40 0.25 -5.00 117.98 115.88 1a1h s PHE 144 Ca 0.33 -0.51 0.15 0.00 -0.60 0.00 0.00 56.93 56.30 1a1h s PHE 144 Cb -0.13 -0.75 0.36 0.00 0.51 0.00 0.00 43.02 43.01 1a1h s PHE 144 CO 0.20 0.13 1.58 0.66 0.70 0.00 0.00 175.22 178.49 1a1h h SER 145 N 3.78 0.00 -4.16 1.36 4.64 -1.86 -2.76 113.55 114.55 1a1h h SER 145 Ca -0.41 0.00 -0.41 0.00 -0.47 0.00 0.00 61.79 60.50 1a1h h SER 145 Cb 1.19 0.00 -0.27 0.00 -0.31 0.00 0.00 62.40 63.01 1a1h h SER 145 CO 0.47 0.51 -0.78 -0.13 -0.87 0.00 0.00 176.83 176.03 1a1h s ARG 146 N -3.31 0.82 0.31 4.77 0.52 -1.26 -4.66 118.95 116.14 1a1h s ARG 146 Ca 0.01 -0.46 -0.01 0.00 -0.52 0.00 0.00 55.73 54.75 1a1h s ARG 146 Cb 0.10 -0.78 0.50 0.00 0.52 0.00 0.00 34.95 35.29 1a1h s ARG 146 CO 0.73 0.21 1.98 0.66 0.02 0.00 0.00 175.30 178.89 1a1h h SER 147 N 5.61 0.88 0.08 0.23 4.64 -1.95 -1.14 113.55 121.90 1a1h h SER 147 Ca -0.33 -0.03 -0.15 0.00 -0.47 0.00 0.00 61.79 60.82 1a1h h SER 147 Cb 1.18 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 63.04 1a1h h SER 147 CO 0.48 0.64 -0.51 -2.24 -0.87 0.00 0.00 176.83 174.33 1a1h h ASP 148 N 1.03 0.52 0.98 4.97 2.03 -2.00 -2.10 116.42 121.85 1a1h h ASP 148 Ca 0.28 -0.26 -0.11 0.00 -0.73 0.00 0.00 57.03 56.20 1a1h h ASP 148 Cb -0.11 -0.15 -0.02 0.00 -0.83 0.00 0.00 39.33 38.23 1a1h h ASP 148 CO -0.06 0.94 -0.55 0.45 -1.03 0.00 0.00 179.24 178.99 1a1h h HIS 149 N 0.37 0.00 -0.36 4.15 3.86 -1.83 -2.90 115.15 118.44 1a1h h HIS 149 Ca 0.02 0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 59.08 1a1h h HIS 149 Cb 1.02 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.48 1a1h h HIS 149 CO 0.04 0.55 -0.32 1.25 0.86 0.00 0.00 177.93 180.30 1a1h h LEU 150 N 0.00 0.91 0.18 2.43 5.85 -1.11 -2.09 115.31 121.48 1a1h h LEU 150 Ca -0.01 -0.46 0.01 0.00 0.84 0.00 0.00 57.88 58.26 1a1h h LEU 150 Cb 1.18 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.94 1a1h h LEU 150 CO 0.07 1.18 -0.20 0.74 -0.34 0.00 0.00 178.44 179.89 1a1h h THR 151 N 0.65 0.57 -0.27 1.05 2.02 -1.23 -1.72 112.91 113.98 1a1h h THR 151 Ca 0.06 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.19 1a1h h THR 151 Cb 0.91 0.57 -0.02 0.00 -1.74 0.00 0.00 68.15 67.87 1a1h h THR 151 CO 0.08 0.00 -0.08 0.71 0.37 0.00 0.00 175.52 176.60 1a1h h THR 152 N -0.41 1.20 -0.52 3.16 1.35 -1.55 -2.71 112.91 113.43 1a1h h THR 152 Ca 0.01 -0.86 0.01 0.00 -0.55 0.00 0.00 66.41 65.01 1a1h h THR 152 Cb 0.40 1.08 -0.03 0.00 -1.73 0.00 0.00 68.15 67.88 1a1h h THR 152 CO -0.06 0.28 0.34 -0.74 -0.25 0.00 0.00 175.52 175.09 1a1h h HIS 153 N 0.41 0.64 -0.23 4.73 6.17 -1.05 -2.47 115.15 123.35 1a1h h HIS 153 Ca 0.08 0.02 0.07 0.00 0.71 0.00 0.00 60.37 61.25 1a1h h HIS 153 Cb 0.40 -0.22 -0.01 0.00 2.52 0.00 0.00 27.41 30.10 1a1h h HIS 153 CO 0.01 0.40 0.24 0.82 0.71 0.00 0.00 177.93 180.12 1a1h h ILE 154 N 0.69 0.48 0.00 6.26 2.04 -0.98 -0.55 117.51 125.46 1a1h h ILE 154 Ca 0.19 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.05 1a1h h ILE 154 Cb -0.08 0.81 0.00 0.00 -0.74 0.00 0.00 36.82 36.81 1a1h h ILE 154 CO -0.04 0.00 0.00 0.03 0.00 0.00 0.00 178.15 178.14 1a1h h ARG 155 N 0.00 0.00 0.00 2.37 3.08 -1.48 -2.03 114.38 116.32 1a1h h ARG 155 Ca 0.11 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.09 1a1h h ARG 155 Cb 0.60 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.64 1a1h h ARG 155 CO -0.00 0.00 -0.34 1.79 -1.07 0.00 0.00 179.97 180.35 1a1h h THR 156 N 0.00 0.76 0.04 2.04 1.35 -1.21 -0.50 112.91 115.39 1a1h h THR 156 Ca 0.00 -1.47 -0.20 0.00 -0.55 0.00 0.00 66.41 64.19 1a1h h THR 156 Cb 0.40 1.94 -0.02 0.00 -1.73 0.00 0.00 68.15 68.75 1a1h h THR 156 CO 0.00 0.33 -1.05 0.45 -0.25 0.00 0.00 175.52 174.99 1a1h h HIS 157 N 0.00 0.16 0.00 4.73 3.86 -1.52 -3.40 115.15 118.98 1a1h h HIS 157 Ca -0.00 -0.11 -0.12 0.00 -1.16 0.00 0.00 60.37 58.97 1a1h h HIS 157 Cb 0.91 -0.01 -0.02 0.00 1.06 0.00 0.00 27.41 29.36 1a1h h HIS 157 CO 0.00 1.41 -0.62 1.79 0.86 0.00 0.00 177.93 181.37 1a1h h THR 158 N -0.75 0.91 0.00 2.45 1.35 -1.52 -3.48 112.91 111.88 1a1h h THR 158 Ca -0.26 -2.31 0.00 0.00 -0.55 0.00 0.00 66.41 63.29 1a1h h THR 158 Cb 1.41 2.43 0.00 0.00 -1.73 0.00 0.00 68.15 70.26 1a1h h THR 158 CO -0.07 0.52 0.00 0.61 -0.25 0.00 0.00 175.52 176.33 1a1h n GLY 159 N 1.25 0.55 3.72 5.82 0.00 -0.20 -5.01 105.19 111.33 1a1h n GLY 159 Ca 0.01 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 1a1h n GLY 159 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1a1h s GLU 160 N -0.32 4.31 -0.36 1.61 2.12 -1.24 -4.97 118.70 119.86 1a1h s GLU 160 Ca 0.00 2.12 0.01 0.00 0.36 0.00 0.00 54.97 57.46 1a1h s GLU 160 Cb 0.00 -3.22 0.14 0.00 0.26 0.00 0.00 34.13 31.31 1a1h s GLU 160 CO 0.00 -0.43 0.23 0.15 -0.54 0.00 0.00 175.26 174.67 1a1h s LYS 161 N 0.83 0.59 0.15 4.30 1.02 -1.26 -4.38 119.74 120.98 1a1h s LYS 161 Ca 0.64 -1.42 0.20 0.00 0.02 0.00 0.00 55.97 55.41 1a1h s LYS 161 Cb -0.38 -1.30 0.83 0.00 -0.52 0.00 0.00 37.83 36.45 1a1h s LYS 161 CO 0.32 -1.23 1.61 -2.30 -0.92 0.00 0.00 175.35 172.83 1a1h n PRO 162 N 3.90 0.11 -3.78 -1.68 -0.02 -1.12 -4.29 135.00 128.12 1a1h n PRO 162 Ca 0.14 0.34 -0.37 0.00 -2.02 0.00 0.00 63.50 61.59 1a1h n PRO 162 Cb 0.38 -1.71 -0.12 0.00 -0.02 0.00 0.00 33.50 32.03 1a1h n PRO 162 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 1a1h s PHE 163 N -3.18 3.29 -0.11 6.00 0.40 -0.54 -4.95 117.98 118.89 1a1h s PHE 163 Ca 0.06 -1.63 -0.09 0.00 -0.60 0.00 0.00 56.93 54.67 1a1h s PHE 163 Cb 0.09 -2.37 -0.04 0.00 0.51 0.00 0.00 43.02 41.21 1a1h s PHE 163 CO 0.34 -0.78 0.19 0.00 0.70 0.00 0.00 175.22 175.67 1a1h s ALA 164 N 1.34 3.82 0.27 5.36 0.00 -1.26 -0.57 121.76 130.72 1a1h s ALA 164 Ca -0.01 -0.57 -0.29 0.00 0.00 0.00 0.00 51.96 51.09 1a1h s ALA 164 Cb -0.20 -2.07 -0.10 0.00 0.00 0.00 0.00 23.12 20.75 1a1h s ALA 164 CO 0.01 0.53 1.35 0.00 0.00 0.00 0.00 175.76 177.65 1a1h h ASP 166 N 4.41 0.38 0.01 0.00 3.32 -1.95 0.11 116.42 122.70 1a1h h ASP 166 Ca -0.47 -0.15 -0.00 0.00 0.02 0.00 0.00 57.03 56.43 1a1h h ASP 166 Cb 1.22 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.67 1a1h h ASP 166 CO 0.72 0.70 -0.01 0.40 -1.72 0.00 0.00 179.24 179.34 1a1h h ILE 167 N 0.32 1.49 -0.00 0.35 1.08 -1.96 -3.41 117.51 115.37 1a1h h ILE 167 Ca 0.04 -1.98 0.00 0.00 -0.39 0.00 0.00 64.86 62.53 1a1h h ILE 167 Cb 0.76 2.75 0.00 0.00 -3.07 0.00 0.00 36.82 37.27 1a1h h ILE 167 CO 0.06 0.48 -0.29 0.00 -0.69 0.00 0.00 178.15 177.71 1a1h n GLY 169 N 1.12 1.36 3.74 0.00 0.00 0.39 -4.95 105.19 106.85 1a1h n GLY 169 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 1a1h n GLY 169 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1a1h n ARG 170 N -2.00 2.59 -3.78 1.61 0.63 -1.26 -4.22 116.66 110.22 1a1h n ARG 170 Ca 0.00 0.92 -0.32 0.00 -0.92 0.00 0.00 57.85 57.53 1a1h n ARG 170 Cb 0.00 -2.67 -0.05 0.00 0.45 0.00 0.00 32.46 30.19 1a1h n ARG 170 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 1a1h s LYS 171 N -0.72 3.55 0.03 -0.14 1.02 -1.26 -0.49 119.74 121.73 1a1h s LYS 171 Ca 0.63 -0.21 0.01 0.00 0.02 0.00 0.00 55.97 56.42 1a1h s LYS 171 Cb -0.52 -2.96 -0.02 0.00 -0.52 0.00 0.00 37.83 33.81 1a1h s LYS 171 CO 0.51 0.55 -0.06 -0.06 -0.92 0.00 0.00 175.35 175.37 1a1h s PHE 172 N -1.53 0.51 0.23 3.18 0.08 0.26 -4.97 117.98 115.74 1a1h s PHE 172 Ca 0.36 -0.44 0.14 0.00 0.12 0.00 0.00 56.93 57.11 1a1h s PHE 172 Cb -0.13 -0.32 0.48 0.00 -0.57 0.00 0.00 43.02 42.49 1a1h s PHE 172 CO 0.24 -0.10 1.66 0.00 -0.10 0.00 0.00 175.22 176.92 1a1h h ALA 173 N 4.77 0.99 -4.24 5.36 0.00 -1.86 -1.40 119.26 122.88 1a1h h ALA 173 Ca -0.33 -0.47 -0.62 0.00 0.00 0.00 0.00 54.91 53.48 1a1h h ALA 173 Cb 1.20 -0.08 -0.27 0.00 0.00 0.00 0.00 17.79 18.64 1a1h h ALA 173 CO 0.42 0.65 -0.86 1.03 0.00 0.00 0.00 179.25 180.50 1a1h s ARG 174 N -3.61 1.60 0.31 0.00 0.52 -1.26 -4.58 118.95 111.92 1a1h s ARG 174 Ca -0.01 -0.94 0.00 0.00 -0.52 0.00 0.00 55.73 54.27 1a1h s ARG 174 Cb 0.12 -1.68 0.50 0.00 0.52 0.00 0.00 34.95 34.41 1a1h s ARG 174 CO 0.73 0.44 1.92 0.66 0.02 0.00 0.00 175.30 179.08 1a1h h SER 175 N 5.06 0.79 0.66 0.23 4.64 -1.95 -2.41 113.55 120.55 1a1h h SER 175 Ca -0.43 -0.07 -0.08 0.00 -0.47 0.00 0.00 61.79 60.74 1a1h h SER 175 Cb 1.15 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 63.03 1a1h h SER 175 CO 0.45 0.65 -0.39 -2.24 -0.87 0.00 0.00 176.83 174.43 1a1h h ASP 176 N 0.88 0.00 -0.26 4.97 2.03 -1.98 0.82 116.42 122.88 1a1h h ASP 176 Ca 0.22 0.00 -0.09 0.00 -0.73 0.00 0.00 57.03 56.43 1a1h h ASP 176 Cb 0.06 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.56 1a1h h ASP 176 CO -0.03 0.39 -0.21 -0.33 -1.03 0.00 0.00 179.24 178.03 1a1h h GLU 177 N 0.00 0.59 -0.50 4.15 5.08 -1.87 0.55 114.58 122.58 1a1h h GLU 177 Ca -0.00 -0.30 -0.02 0.00 -1.00 0.00 0.00 59.36 58.04 1a1h h GLU 177 Cb 0.82 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.05 1a1h h GLU 177 CO 0.05 0.88 0.23 -0.09 -1.00 0.00 0.00 179.01 179.09 1a1h h ARG 178 N 0.31 0.72 -0.40 2.33 2.43 -1.04 -0.80 114.38 117.93 1a1h h ARG 178 Ca 0.05 -0.11 0.03 0.00 -0.81 0.00 0.00 59.98 59.14 1a1h h ARG 178 Cb 0.75 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 30.14 1a1h h ARG 178 CO 0.05 0.61 0.21 -0.22 -1.51 0.00 0.00 179.97 179.11 1a1h h LYS 179 N 0.66 0.41 -0.33 0.20 3.64 -0.68 0.51 116.57 120.98 1a1h h LYS 179 Ca 0.17 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.53 1a1h h LYS 179 Cb 0.13 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 1a1h h LYS 179 CO -0.02 0.27 0.22 -0.09 -2.27 0.00 0.00 179.45 177.56 1a1h h ARG 180 N 0.43 0.41 0.00 1.90 2.43 -0.51 -3.17 114.38 115.86 1a1h h ARG 180 Ca 0.17 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.30 1a1h h ARG 180 Cb 0.06 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.52 1a1h h ARG 180 CO -0.11 0.27 -0.06 1.25 -1.51 0.00 0.00 179.97 179.81 1a1h h HIS 181 N 0.42 0.06 -1.12 2.20 2.76 0.25 -3.36 115.15 116.36 1a1h h HIS 181 Ca 0.12 -0.03 0.31 0.00 -2.20 0.00 0.00 60.37 58.57 1a1h h HIS 181 Cb -0.02 -0.01 -0.10 0.00 1.55 0.00 0.00 27.41 28.84 1a1h h HIS 181 CO -0.00 0.84 0.72 1.15 -1.30 0.00 0.00 177.93 179.34 1a1h h THR 182 N -0.73 0.41 0.00 6.26 2.02 -0.93 -0.52 112.91 119.42 1a1h h THR 182 Ca -0.01 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 67.07 1a1h h THR 182 Cb 0.86 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.36 1a1h h THR 182 CO 0.01 0.05 0.00 0.07 0.37 0.00 0.00 175.52 176.03 1a1h h LYS 183 N 0.29 0.00 0.00 6.66 2.10 -1.71 -2.37 116.57 121.54 1a1h h LYS 183 Ca 0.65 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.30 1a1h h LYS 183 Cb 1.82 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.15 1a1h h LYS 183 CO -0.32 0.00 0.00 -0.84 -2.00 0.00 0.00 179.45 176.29 1a1h h ILE 184 N 0.00 0.00 -0.00 0.07 3.07 -1.31 -2.80 117.51 116.54 1a1h h ILE 184 Ca 0.00 -0.34 0.00 0.00 1.55 0.00 0.00 64.86 66.07 1a1h h ILE 184 Cb 0.26 1.22 0.00 0.00 -0.27 0.00 0.00 36.82 38.02 1a1h h ILE 184 CO 0.00 0.00 0.00 1.41 -1.05 0.00 0.00 178.15 178.51 1a1h n HIS 185 N -2.76 0.00 0.90 0.16 8.25 -0.89 -3.70 115.22 117.19 1a1h n HIS 185 Ca 0.01 -0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.59 1a1h n HIS 185 Cb 0.24 0.00 0.28 0.00 1.12 0.00 0.00 29.99 31.63 1a1h n HIS 185 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1a1h n LEU 186 N -0.79 0.48 0.00 2.41 4.77 -1.06 -5.21 117.00 117.61 1a1h n LEU 186 Ca 0.14 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 1a1h n LEU 186 Cb 0.07 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 40.89 1a1h n LEU 186 CO 0.11 0.07 0.00 -1.14 -1.33 0.00 0.00 177.39 175.09