#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iie n GLY 119 N 0.00 1.36 2.88 2.72 0.00 -1.26 -5.19 105.19 105.70 1iie n GLY 119 Ca 0.00 0.38 -0.09 0.00 0.00 0.00 0.00 46.02 46.31 1iie n GLY 119 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1iie n ASN 120 N 0.00 -1.57 0.26 1.61 2.85 -1.26 -5.01 115.26 112.14 1iie n ASN 120 Ca 0.00 -2.35 0.17 0.00 -0.11 0.00 0.00 54.58 52.29 1iie n ASN 120 Cb 0.00 2.69 0.68 0.00 1.24 0.00 0.00 39.78 44.39 1iie n ASN 120 CO 0.00 0.00 0.00 0.24 -2.11 0.00 0.00 177.26 175.39 1iie h MET 121 N 0.00 0.00 -0.38 1.20 2.86 -2.03 -3.02 114.93 113.56 1iie h MET 121 Ca -0.25 0.00 0.11 0.00 -2.06 0.00 0.00 59.70 57.50 1iie h MET 121 Cb 0.97 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.62 1iie h MET 121 CO 0.32 0.00 0.54 1.15 1.06 0.00 0.00 176.91 179.99 1iie h THR 122 N 0.00 0.22 -0.37 2.22 2.02 -1.97 0.92 112.91 115.95 1iie h THR 122 Ca 0.00 0.00 -0.14 0.00 0.77 0.00 0.00 66.41 67.04 1iie h THR 122 Cb 0.48 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.42 1iie h THR 122 CO 0.00 0.00 -0.30 -0.33 0.37 0.00 0.00 175.52 175.26 1iie h GLU 123 N 0.00 0.86 0.00 6.66 5.08 -1.94 1.28 114.58 126.52 1iie h GLU 123 Ca 0.18 -0.43 -0.06 0.00 -1.00 0.00 0.00 59.36 58.06 1iie h GLU 123 Cb 1.27 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.51 1iie h GLU 123 CO -0.00 1.07 -0.27 -0.44 -1.00 0.00 0.00 179.01 178.37 1iie h ASP 124 N 0.66 0.00 0.78 1.42 3.32 -1.07 1.34 116.42 122.87 1iie h ASP 124 Ca 0.07 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.91 1iie h ASP 124 Cb 0.88 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.40 1iie h ASP 124 CO 0.08 0.27 -1.33 -0.74 -1.72 0.00 0.00 179.24 175.80 1iie h HIS 125 N 0.00 0.00 0.09 4.55 2.76 -0.99 -2.48 115.15 119.08 1iie h HIS 125 Ca -0.00 0.00 -0.31 0.00 -2.20 0.00 0.00 60.37 57.86 1iie h HIS 125 Cb 0.81 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.75 1iie h HIS 125 CO 0.00 0.76 -1.63 0.28 -1.30 0.00 0.00 177.93 176.03 1iie h VAL 126 N 0.00 1.02 -0.74 5.26 2.07 0.19 -2.43 116.25 121.62 1iie h VAL 126 Ca -0.16 -2.71 -0.06 0.00 0.82 0.00 0.00 66.70 64.59 1iie h VAL 126 Cb 1.72 2.65 -0.03 0.00 -1.52 0.00 0.00 31.29 34.11 1iie h VAL 126 CO 0.07 0.78 0.24 -0.03 0.02 0.00 0.00 177.57 178.65 1iie h MET 127 N 0.05 1.15 -0.29 1.57 -1.53 0.17 -1.10 114.93 114.96 1iie h MET 127 Ca -0.28 -0.24 -0.15 0.00 -3.44 0.00 0.00 59.70 55.59 1iie h MET 127 Cb 2.01 -0.17 -0.01 0.00 -0.55 0.00 0.00 31.60 32.89 1iie h MET 127 CO 0.13 0.97 -0.43 1.25 0.14 0.00 0.00 176.91 178.98 1iie h HIS 128 N 1.10 0.87 0.00 1.39 2.76 -1.51 0.40 115.15 120.15 1iie h HIS 128 Ca 0.24 -0.27 0.00 0.00 -2.20 0.00 0.00 60.37 58.14 1iie h HIS 128 Cb 0.30 -0.18 0.00 0.00 1.55 0.00 0.00 27.41 29.08 1iie h HIS 128 CO 0.02 1.02 0.00 -0.07 -1.30 0.00 0.00 177.93 177.61 1iie h LEU 129 N 0.58 0.00 0.00 0.26 -0.00 -0.86 -1.44 115.31 113.85 1iie h LEU 129 Ca 0.04 0.00 -0.18 0.00 -0.00 0.00 0.00 57.88 57.74 1iie h LEU 129 Cb 0.98 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.60 1iie h LEU 129 CO 0.09 0.00 -2.17 0.18 -0.00 0.00 0.00 178.44 176.55 1iie n LEU 130 N -2.99 0.03 0.00 1.67 4.77 -0.48 -3.59 117.00 116.41 1iie n LEU 130 Ca -0.02 0.01 0.13 0.00 -0.03 0.00 0.00 56.01 56.10 1iie n LEU 130 Cb 0.15 0.24 0.61 0.00 -2.33 0.00 0.00 43.42 42.08 1iie n LEU 130 CO 0.21 0.24 0.92 0.00 -1.33 0.00 0.00 177.39 177.44 1iie n GLN 131 N -2.51 0.20 -0.07 3.23 6.02 0.13 -2.17 117.38 122.21 1iie n GLN 131 Ca -0.18 0.05 -0.07 0.00 -0.01 0.00 0.00 57.00 56.79 1iie n GLN 131 Cb 0.86 -1.50 -0.09 0.00 1.02 0.00 0.00 30.24 30.53 1iie n GLN 131 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1iie n ASN 132 N -1.39 2.18 0.11 1.08 3.02 -0.86 -4.47 115.26 114.92 1iie n ASN 132 Ca 0.10 -0.02 -0.04 0.00 -0.03 0.00 0.00 54.58 54.58 1iie n ASN 132 Cb 0.25 0.54 0.08 0.00 -0.61 0.00 0.00 39.78 40.04 1iie n ASN 132 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1iie h ALA 133 N 0.45 0.77 -3.29 5.41 0.00 -1.61 -3.42 119.26 117.57 1iie h ALA 133 Ca -0.34 -0.65 -0.45 0.00 0.00 0.00 0.00 54.91 53.47 1iie h ALA 133 Cb 1.70 -0.10 -0.37 0.00 0.00 0.00 0.00 17.79 19.02 1iie h ALA 133 CO -0.00 0.88 -0.77 -0.51 0.00 0.00 0.00 179.25 178.85 1iie s ASP 134 N -6.84 1.54 0.00 0.00 1.01 -0.92 -4.99 116.67 106.47 1iie s ASP 134 Ca -0.01 -0.13 0.19 0.00 0.71 0.00 0.00 52.55 53.31 1iie s ASP 134 Cb 0.12 -0.50 1.15 0.00 1.01 0.00 0.00 42.92 44.69 1iie s ASP 134 CO 0.79 -0.15 1.63 -0.81 0.21 0.00 0.00 175.17 176.84 1iie n PRO 135 N 4.88 0.83 -0.83 8.23 -0.04 -1.26 -3.28 135.00 143.53 1iie n PRO 135 Ca -0.12 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.40 1iie n PRO 135 Cb 0.50 -1.36 0.15 0.00 -0.04 0.00 0.00 33.50 32.75 1iie n PRO 135 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1iie n LEU 136 N -0.86 2.18 -4.71 1.53 4.77 -1.26 -5.03 117.00 113.61 1iie n LEU 136 Ca 0.14 -3.30 -0.37 0.00 -0.03 0.00 0.00 56.01 52.45 1iie n LEU 136 Cb 0.07 -0.37 -0.07 0.00 -2.33 0.00 0.00 43.42 40.72 1iie n LEU 136 CO 0.11 1.11 0.05 -0.54 -1.33 0.00 0.00 177.39 176.79 1iie s LYS 137 N -2.27 4.25 0.04 3.23 -0.14 -1.20 -5.07 119.74 118.58 1iie s LYS 137 Ca 0.36 0.19 0.06 0.00 -1.36 0.00 0.00 55.97 55.22 1iie s LYS 137 Cb 0.37 -3.46 -0.02 0.00 -1.68 0.00 0.00 37.83 33.04 1iie s LYS 137 CO -0.09 0.15 -0.17 0.08 -0.76 0.00 0.00 175.35 174.56 1iie s VAL 138 N 0.72 1.35 -0.51 3.17 1.01 -1.26 -4.90 120.40 119.97 1iie s VAL 138 Ca 0.19 -1.05 0.03 0.00 0.00 0.00 0.00 61.98 61.15 1iie s VAL 138 Cb -0.14 -1.19 0.15 0.00 0.00 0.00 0.00 36.38 35.20 1iie s VAL 138 CO 0.06 0.12 0.34 -0.31 0.00 0.00 0.00 175.10 175.31 1iie s TYR 139 N -0.78 2.29 0.67 5.22 1.51 -1.26 -5.05 117.35 119.95 1iie s TYR 139 Ca 0.04 -2.70 -0.17 0.00 -1.01 0.00 0.00 57.07 53.24 1iie s TYR 139 Cb -0.08 -1.94 -0.02 0.00 -0.11 0.00 0.00 41.96 39.81 1iie s TYR 139 CO 0.01 -0.72 0.96 -0.35 -1.11 0.00 0.00 175.55 174.34 1iie n PRO 140 N 2.92 0.67 -1.96 -1.71 -0.04 -1.26 -4.80 135.00 128.81 1iie n PRO 140 Ca 0.16 0.28 -0.30 0.00 -0.04 0.00 0.00 63.50 63.60 1iie n PRO 140 Cb 0.38 -2.19 -0.04 0.00 -0.04 0.00 0.00 33.50 31.60 1iie n PRO 140 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1iie s PRO 141 N -3.08 2.45 -1.07 0.54 0.04 -1.26 -4.88 135.00 127.74 1iie s PRO 141 Ca 0.75 0.23 -0.22 0.00 0.04 0.00 0.00 61.00 61.80 1iie s PRO 141 Cb -0.37 -4.76 0.06 0.00 0.04 0.00 0.00 34.50 29.46 1iie s PRO 141 CO 0.49 -3.25 1.50 -0.51 0.04 0.00 0.00 177.00 175.27 1iie s LEU 142 N 10.34 3.59 0.05 -3.56 1.43 -1.26 -4.68 118.68 124.59 1iie s LEU 142 Ca 0.73 -1.66 0.22 0.00 -1.03 0.00 0.00 54.13 52.40 1iie s LEU 142 Cb -0.10 -2.57 -0.07 0.00 0.03 0.00 0.00 46.19 43.48 1iie s LEU 142 CO 0.10 -1.44 0.90 0.29 0.23 0.00 0.00 176.35 176.43 1iie n LYS 143 N 8.75 0.40 0.00 1.70 4.76 -1.26 -4.88 118.16 127.63 1iie n LYS 143 Ca 0.36 -0.03 0.00 0.00 -2.87 0.00 0.00 58.31 55.77 1iie n LYS 143 Cb 0.50 -1.60 0.00 0.00 -1.84 0.00 0.00 35.03 32.09 1iie n LYS 143 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1iie n GLY 144 N 1.33 -2.47 3.93 0.72 0.00 -1.26 -4.97 105.19 102.46 1iie n GLY 144 Ca 0.00 -1.09 -0.26 0.00 0.00 0.00 0.00 46.02 44.68 1iie n GLY 144 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1iie s SER 145 N -1.84 6.31 0.32 1.61 0.01 -1.26 -4.69 113.70 114.15 1iie s SER 145 Ca 0.00 0.64 0.09 0.00 1.31 0.00 0.00 55.95 57.99 1iie s SER 145 Cb 0.00 -2.12 0.87 0.00 0.21 0.00 0.00 66.02 64.99 1iie s SER 145 CO 0.00 -0.37 1.72 0.15 0.41 0.00 0.00 173.24 175.15 1iie h PHE 146 N 0.73 0.93 0.00 2.43 3.57 -1.94 2.13 116.94 124.79 1iie h PHE 146 Ca -0.49 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.05 1iie h PHE 146 Cb 1.21 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 39.69 1iie h PHE 146 CO 0.54 0.02 0.00 -1.00 -2.23 0.00 0.00 178.31 175.64 1iie h PRO 147 N 0.52 0.00 0.10 6.41 0.13 -1.98 0.15 132.00 137.32 1iie h PRO 147 Ca 0.64 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 65.46 1iie h PRO 147 Cb 1.24 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.35 1iie h PRO 147 CO -0.50 0.00 -1.66 0.93 -0.23 0.00 0.00 178.00 176.54 1iie h GLU 148 N 0.00 0.21 -0.20 0.86 4.39 0.13 -2.56 114.58 117.41 1iie h GLU 148 Ca 0.00 -0.36 0.02 0.00 0.34 0.00 0.00 59.36 59.36 1iie h GLU 148 Cb 0.58 0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.36 1iie h GLU 148 CO 0.00 1.17 0.13 -0.91 -1.16 0.00 0.00 179.01 178.25 1iie h ASN 149 N -0.27 0.17 0.01 1.42 2.35 0.30 1.59 115.58 121.15 1iie h ASN 149 Ca -0.37 -0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.38 1iie h ASN 149 Cb 1.80 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 40.13 1iie h ASN 149 CO 0.02 0.12 -0.00 -0.07 -1.65 0.00 0.00 177.43 175.85 1iie h LEU 150 N 0.20 -0.01 -2.21 1.61 3.38 -0.79 -1.68 115.31 115.82 1iie h LEU 150 Ca 0.08 -0.83 -0.01 0.00 0.09 0.00 0.00 57.88 57.21 1iie h LEU 150 Cb 0.07 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 1iie h LEU 150 CO -0.02 0.89 -0.03 0.03 0.09 0.00 0.00 178.44 179.40 1iie h ARG 151 N -0.96 0.00 0.09 1.13 2.47 -1.03 0.11 114.38 116.19 1iie h ARG 151 Ca -0.00 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.71 1iie h ARG 151 Cb 0.84 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.16 1iie h ARG 151 CO 0.00 0.03 -0.04 1.25 0.56 0.00 0.00 179.97 181.77 1iie h HIS 152 N 0.00 -0.11 -0.71 3.04 2.76 0.23 1.24 115.15 121.60 1iie h HIS 152 Ca -0.00 -0.00 0.14 0.00 -2.20 0.00 0.00 60.37 58.31 1iie h HIS 152 Cb 0.25 0.04 -0.04 0.00 1.55 0.00 0.00 27.41 29.21 1iie h HIS 152 CO 0.00 0.41 0.48 -0.07 -1.30 0.00 0.00 177.93 177.45 1iie h LEU 153 N -0.87 0.34 0.12 0.26 3.38 -0.66 2.27 115.31 120.15 1iie h LEU 153 Ca -0.01 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1iie h LEU 153 Cb 0.58 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1iie h LEU 153 CO 0.02 0.18 -0.06 0.50 0.09 0.00 0.00 178.44 179.17 1iie h LYS 154 N 0.36 -0.15 0.00 1.13 3.11 -0.67 0.85 116.57 121.20 1iie h LYS 154 Ca 0.34 0.01 0.00 0.00 -2.81 0.00 0.00 60.65 58.19 1iie h LYS 154 Cb 0.83 0.04 0.00 0.00 -1.00 0.00 0.00 32.23 32.09 1iie h LYS 154 CO -0.10 0.32 0.00 -1.71 -2.81 0.00 0.00 179.45 175.15 1iie n ASN 155 N -4.87 0.00 0.06 4.20 2.85 0.42 -4.23 115.26 113.70 1iie n ASN 155 Ca -0.07 -0.24 0.00 0.00 -0.11 0.00 0.00 54.58 54.15 1iie n ASN 155 Cb 0.27 -0.21 0.00 0.00 1.24 0.00 0.00 39.78 41.08 1iie n ASN 155 CO 0.00 0.00 0.00 0.41 -2.11 0.00 0.00 177.26 175.56 1iie n THR 156 N -1.21 1.08 -0.06 -0.44 -1.04 0.76 -4.99 114.28 108.37 1iie n THR 156 Ca 0.13 0.36 -0.09 0.00 -2.04 0.00 0.00 64.05 62.41 1iie n THR 156 Cb 0.16 -1.46 0.09 0.00 -1.82 0.00 0.00 70.33 67.30 1iie n THR 156 CO 0.00 0.00 0.00 1.15 -0.64 0.00 0.00 175.07 175.58 1iie n MET 157 N -3.47 -2.88 -2.34 -2.82 0.00 0.29 -4.85 117.12 101.06 1iie n MET 157 Ca 0.00 -0.44 -0.42 0.00 0.00 0.00 0.00 57.70 56.84 1iie n MET 157 Cb 0.00 -0.57 -0.03 0.00 0.00 0.00 0.00 33.22 32.63 1iie n MET 157 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 1iie s GLU 158 N -3.62 4.31 0.49 3.17 8.01 -1.26 -4.80 118.70 125.00 1iie s GLU 158 Ca 0.20 1.82 0.31 0.00 0.01 0.00 0.00 54.97 57.30 1iie s GLU 158 Cb -0.04 -3.58 1.40 0.00 -4.31 0.00 0.00 34.13 27.61 1iie s GLU 158 CO 0.17 -0.52 1.78 1.15 0.01 0.00 0.00 175.26 177.85 1iie h THR 159 N 4.99 0.42 0.00 3.63 2.02 -1.88 1.92 112.91 124.01 1iie h THR 159 Ca -0.36 -0.05 -0.20 0.00 0.77 0.00 0.00 66.41 66.57 1iie h THR 159 Cb 1.17 0.27 -0.03 0.00 -1.74 0.00 0.00 68.15 67.82 1iie h THR 159 CO 0.89 0.02 -1.02 -0.29 0.37 0.00 0.00 175.52 175.50 1iie h ILE 160 N 0.14 1.51 0.00 3.11 2.10 -1.95 1.06 117.51 123.47 1iie h ILE 160 Ca 0.60 -3.18 -0.07 0.00 1.08 0.00 0.00 64.86 63.28 1iie h ILE 160 Cb 2.06 2.74 -0.01 0.00 -1.09 0.00 0.00 36.82 40.52 1iie h ILE 160 CO -0.13 0.86 -0.34 0.44 -1.08 0.00 0.00 178.15 177.90 1iie h ASP 161 N 0.00 0.00 0.48 2.19 3.32 0.97 -1.35 116.42 122.03 1iie h ASP 161 Ca -0.04 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.74 1iie h ASP 161 Cb 1.74 0.00 0.01 0.00 0.22 0.00 0.00 39.33 41.31 1iie h ASP 161 CO 0.12 0.34 -1.21 -0.25 -1.72 0.00 0.00 179.24 176.51 1iie h TRP 162 N 0.00 0.62 -0.39 4.55 2.91 0.28 0.62 115.95 124.53 1iie h TRP 162 Ca -0.00 -0.42 0.03 0.00 1.13 0.00 0.00 58.89 59.62 1iie h TRP 162 Cb 1.19 -0.04 -0.03 0.00 -0.51 0.00 0.00 29.16 29.77 1iie h TRP 162 CO 0.00 1.30 0.20 0.87 -1.03 0.00 0.00 178.44 179.78 1iie h LYS 163 N 0.13 0.39 -0.22 2.65 1.79 0.16 0.83 116.57 122.30 1iie h LYS 163 Ca -0.14 -0.02 -0.18 0.00 -2.18 0.00 0.00 60.65 58.13 1iie h LYS 163 Cb 1.91 -0.09 -0.00 0.00 -1.58 0.00 0.00 32.23 32.47 1iie h LYS 163 CO 0.21 0.26 -0.58 0.28 -1.08 0.00 0.00 179.45 178.54 1iie h VAL 164 N 0.40 1.30 -0.62 0.50 2.07 -1.22 -1.43 116.25 117.25 1iie h VAL 164 Ca 0.17 -1.81 -0.10 0.00 0.82 0.00 0.00 66.70 65.79 1iie h VAL 164 Cb 0.07 1.75 -0.02 0.00 -1.52 0.00 0.00 31.29 31.57 1iie h VAL 164 CO -0.12 0.57 0.01 0.15 0.02 0.00 0.00 177.57 178.20 1iie h PHE 165 N 0.53 1.18 -0.21 1.57 3.57 0.12 0.63 116.94 124.33 1iie h PHE 165 Ca 0.00 -0.20 -0.01 0.00 3.53 0.00 0.00 57.97 61.29 1iie h PHE 165 Cb 1.16 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 39.58 1iie h PHE 165 CO 0.06 1.03 0.08 0.93 -2.23 0.00 0.00 178.31 178.18 1iie h GLU 166 N 0.99 0.32 -0.12 1.11 4.39 0.74 0.92 114.58 122.93 1iie h GLU 166 Ca 0.18 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.80 1iie h GLU 166 Cb 0.55 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.15 1iie h GLU 166 CO 0.03 0.38 -0.02 0.77 -1.16 0.00 0.00 179.01 179.01 1iie h SER 167 N 0.18 0.15 -0.28 1.42 0.02 -0.92 0.81 113.55 114.93 1iie h SER 167 Ca 0.07 -0.01 -0.16 0.00 -0.84 0.00 0.00 61.79 60.84 1iie h SER 167 Cb 0.19 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 1iie h SER 167 CO -0.01 0.20 -0.44 -0.25 -1.14 0.00 0.00 176.83 175.20 1iie h TRP 168 N 0.17 1.02 -0.24 3.45 7.01 0.19 0.47 115.95 128.02 1iie h TRP 168 Ca 0.04 -0.32 -0.16 0.00 2.11 0.00 0.00 58.89 60.56 1iie h TRP 168 Cb 0.15 -0.21 -0.01 0.00 -2.10 0.00 0.00 29.16 27.00 1iie h TRP 168 CO 0.00 1.12 -0.48 0.52 -2.79 0.00 0.00 178.44 176.81 1iie h MET 169 N 0.68 0.65 -0.13 2.65 2.86 0.25 0.55 114.93 122.43 1iie h MET 169 Ca 0.04 -0.37 -0.02 0.00 -2.06 0.00 0.00 59.70 57.29 1iie h MET 169 Cb 1.02 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.70 1iie h MET 169 CO 0.10 0.99 -0.01 1.25 1.06 0.00 0.00 176.91 180.30 1iie h HIS 170 N 0.51 0.26 -0.29 -0.22 -0.00 0.87 0.80 115.15 117.08 1iie h HIS 170 Ca 0.03 -0.05 -0.03 0.00 -0.00 0.00 0.00 60.37 60.32 1iie h HIS 170 Cb 1.03 -0.07 -0.01 0.00 -0.00 0.00 0.00 27.41 28.36 1iie h HIS 170 CO 0.05 0.48 0.08 0.45 -0.00 0.00 0.00 177.93 178.99 1iie h HIS 171 N -0.03 0.49 -0.85 5.26 -0.00 0.06 0.33 115.15 120.41 1iie h HIS 171 Ca 0.04 -0.05 0.14 0.00 -0.00 0.00 0.00 60.37 60.49 1iie h HIS 171 Cb 0.38 -0.14 -0.09 0.00 -0.00 0.00 0.00 27.41 27.56 1iie h HIS 171 CO 0.04 0.52 0.44 2.35 -0.00 0.00 0.00 177.93 181.28 1iie h TRP 172 N 0.31 0.78 0.60 2.45 7.01 0.31 0.14 115.95 127.55 1iie h TRP 172 Ca 0.09 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 61.10 1iie h TRP 172 Cb 0.27 -0.22 0.01 0.00 -2.10 0.00 0.00 29.16 27.12 1iie h TRP 172 CO 0.01 0.20 -0.29 1.25 -2.79 0.00 0.00 178.44 176.83 1iie h LEU 173 N 0.65 -0.68 -0.10 0.65 5.85 0.19 -2.57 115.31 119.30 1iie h LEU 173 Ca 0.45 -0.03 0.02 0.00 0.84 0.00 0.00 57.88 59.17 1iie h LEU 173 Cb 0.62 0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.78 1iie h LEU 173 CO -0.35 -0.32 -0.36 -0.07 -0.34 0.00 0.00 178.44 177.00 1iie h LEU 174 N -1.08 -1.15 -0.63 2.25 3.38 0.10 0.11 115.31 118.29 1iie h LEU 174 Ca -0.08 0.14 0.06 0.00 0.09 0.00 0.00 57.88 58.08 1iie h LEU 174 Cb 0.67 0.45 -0.08 0.00 0.09 0.00 0.00 40.66 41.79 1iie h LEU 174 CO 0.14 -0.32 -0.37 0.33 0.09 0.00 0.00 178.44 178.31 1iie n PHE 175 N -4.46 -0.28 -0.34 1.13 -0.00 -0.01 0.14 117.46 113.64 1iie n PHE 175 Ca -0.04 0.79 -0.03 0.00 -0.00 0.00 0.00 57.45 58.16 1iie n PHE 175 Cb 0.25 -0.53 0.10 0.00 -0.00 0.00 0.00 39.48 39.30 1iie n PHE 175 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.76 177.69 1iie h GLU 176 N 0.00 1.27 0.52 -4.13 5.08 -1.01 0.42 114.58 116.73 1iie h GLU 176 Ca 0.10 -0.13 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 1iie h GLU 176 Cb 0.26 -0.26 0.01 0.00 0.50 0.00 0.00 28.75 29.25 1iie h GLU 176 CO -0.59 0.91 -0.25 1.98 -1.00 0.00 0.00 179.01 180.06 1iie h MET 177 N 1.29 -0.67 -0.76 2.33 4.05 0.29 0.40 114.93 121.86 1iie h MET 177 Ca 0.33 0.05 0.11 0.00 -0.28 0.00 0.00 59.70 59.91 1iie h MET 177 Cb -0.02 0.15 -0.08 0.00 -0.80 0.00 0.00 31.60 30.86 1iie h MET 177 CO -0.06 -0.38 0.37 0.66 0.23 0.00 0.00 176.91 177.74 1iie h SER 178 N -0.90 0.46 -0.23 1.39 4.64 0.15 0.21 113.55 119.27 1iie h SER 178 Ca -0.07 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1iie h SER 178 Cb 0.61 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 1iie h SER 178 CO 0.12 0.24 0.00 -2.11 -0.87 0.00 0.00 176.83 174.20 1iie n ARG 179 N -4.88 1.86 -1.09 4.77 -4.01 0.14 -4.39 116.66 109.06 1iie n ARG 179 Ca 0.13 -0.97 -0.16 0.00 -1.04 0.00 0.00 57.85 55.80 1iie n ARG 179 Cb 0.33 -1.40 -0.08 0.00 -3.04 0.00 0.00 32.46 28.27 1iie n ARG 179 CO 0.00 0.00 0.00 1.58 -3.04 0.00 0.00 177.63 176.17 1iie n HIS 180 N 0.23 0.74 -2.19 2.89 -0.00 0.14 -4.93 115.22 112.11 1iie n HIS 180 Ca 0.09 -1.65 -0.27 0.00 0.46 0.00 0.00 57.72 56.35 1iie n HIS 180 Cb 0.34 -1.31 0.05 0.00 -0.12 0.00 0.00 29.99 28.96 1iie n HIS 180 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 1iie s SER 181 N 1.20 5.19 0.00 0.26 0.15 -1.26 -3.89 113.70 115.36 1iie s SER 181 Ca 0.51 0.71 0.00 0.00 0.70 0.00 0.00 55.95 57.87 1iie s SER 181 Cb 0.29 -1.50 0.00 0.00 -1.71 0.00 0.00 66.02 63.11 1iie s SER 181 CO -0.08 -1.38 0.00 0.18 1.20 0.00 0.00 173.24 173.16 1iie n LEU 182 N -2.85 0.88 -0.16 3.45 4.77 -1.26 -4.76 117.00 117.08 1iie n LEU 182 Ca 0.06 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 56.13 1iie n LEU 182 Cb 0.59 -2.26 0.13 0.00 -2.33 0.00 0.00 43.42 39.54 1iie n LEU 182 CO 0.54 -0.88 0.52 -0.62 -1.33 0.00 0.00 177.39 175.62 1iie n GLU 183 N 0.52 1.16 -3.57 3.23 1.02 -1.25 -4.85 120.64 116.90 1iie n GLU 183 Ca 0.00 -2.45 -0.27 0.00 -0.02 0.00 0.00 57.16 54.41 1iie n GLU 183 Cb 0.44 -1.39 -0.09 0.00 -0.02 0.00 0.00 31.44 30.37 1iie n GLU 183 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1iie n GLN 184 N -1.26 2.12 -2.91 3.49 6.02 -1.26 -5.08 117.38 118.50 1iie n GLN 184 Ca 0.14 -4.49 -0.38 0.00 -0.01 0.00 0.00 57.00 52.27 1iie n GLN 184 Cb 0.65 -2.19 -0.06 0.00 1.02 0.00 0.00 30.24 29.66 1iie n GLN 184 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1iie s LYS 185 N -1.99 4.56 0.47 -1.09 2.20 -1.26 -5.03 119.74 117.59 1iie s LYS 185 Ca 0.34 1.20 -0.21 0.00 -0.36 0.00 0.00 55.97 56.94 1iie s LYS 185 Cb 0.08 -3.07 -0.08 0.00 -1.51 0.00 0.00 37.83 33.26 1iie s LYS 185 CO -0.08 0.45 1.07 -1.25 -0.36 0.00 0.00 175.35 175.18 1iie s PRO 186 N -1.56 3.80 0.56 4.03 0.04 -1.26 -4.99 135.00 135.62 1iie s PRO 186 Ca 0.42 1.47 -0.21 0.00 0.04 0.00 0.00 61.00 62.72 1iie s PRO 186 Cb -0.21 -2.20 -0.04 0.00 0.04 0.00 0.00 34.50 32.08 1iie s PRO 186 CO 0.26 -0.45 1.33 -0.08 0.04 0.00 0.00 177.00 178.10 1iie s THR 187 N -1.84 2.15 -0.38 1.26 -1.32 -1.26 -4.86 115.64 109.39 1iie s THR 187 Ca 0.66 0.11 -0.28 0.00 -1.21 0.00 0.00 61.69 60.97 1iie s THR 187 Cb -0.20 -3.05 -0.02 0.00 -1.51 0.00 0.00 72.50 67.72 1iie s THR 187 CO 0.24 -0.00 1.85 -0.62 -2.21 0.00 0.00 174.62 173.87 1iie s ASP 188 N -1.06 5.72 0.05 8.08 2.15 -1.26 -4.94 116.67 125.41 1iie s ASP 188 Ca 0.73 1.16 -0.08 0.00 0.43 0.00 0.00 52.55 54.79 1iie s ASP 188 Cb -0.39 -2.52 -0.00 0.00 -0.30 0.00 0.00 42.92 39.70 1iie s ASP 188 CO 0.45 -1.87 0.16 0.00 -0.17 0.00 0.00 175.17 173.74 1iie s ALA 189 N 7.49 -0.21 0.82 3.66 0.00 -1.26 -5.16 121.76 127.11 1iie s ALA 189 Ca 0.79 -0.47 -0.11 0.00 0.00 0.00 0.00 51.96 52.17 1iie s ALA 189 Cb -0.21 0.31 0.08 0.00 0.00 0.00 0.00 23.12 23.31 1iie s ALA 189 CO 0.31 -0.38 1.10 -1.25 0.00 0.00 0.00 175.76 175.54 1iie s PRO 190 N -2.91 1.89 0.10 0.00 0.04 -1.26 -4.98 135.00 127.88 1iie s PRO 190 Ca -0.02 0.68 -0.13 0.00 0.04 0.00 0.00 61.00 61.57 1iie s PRO 190 Cb 0.01 -1.89 -0.15 0.00 0.04 0.00 0.00 34.50 32.50 1iie s PRO 190 CO -0.06 -1.77 1.31 -1.00 0.04 0.00 0.00 177.00 175.52 1iie h PRO 191 N -1.20 0.80 0.00 0.56 0.13 -2.03 -3.55 132.00 126.72 1iie h PRO 191 Ca -0.48 -0.65 0.00 0.00 -0.87 0.00 0.00 66.00 64.01 1iie h PRO 191 Cb 1.27 0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.53 1iie h PRO 191 CO 0.58 1.25 0.00 1.17 -0.23 0.00 0.00 178.00 180.78