#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 3.19 0.00 -7.48 0.00 -1.26 -4.75 105.19 94.90 1iie n GLY 119 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1iie n GLY 119 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1iie n ASN 120 N 3.90 0.00 -2.26 1.61 4.13 -1.26 -4.90 115.26 116.49 1iie n ASN 120 Ca 0.00 0.00 -0.13 0.00 1.68 0.00 0.00 54.58 56.13 1iie n ASN 120 Cb 0.00 0.00 -0.01 0.00 -1.54 0.00 0.00 39.78 38.23 1iie n ASN 120 CO 0.00 0.00 0.00 0.23 0.28 0.00 0.00 177.26 177.77 1iie n MET 121 N 0.00 -2.06 0.00 3.52 2.81 -1.26 -4.72 117.12 115.41 1iie n MET 121 Ca 0.00 0.63 0.00 0.00 -1.81 0.00 0.00 57.70 56.52 1iie n MET 121 Cb 0.00 -5.17 0.00 0.00 -0.71 0.00 0.00 33.22 27.34 1iie n MET 121 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 1iie n THR 122 N -3.15 0.00 -0.22 2.03 -1.04 -1.26 -4.51 114.28 106.13 1iie n THR 122 Ca -0.15 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 61.81 1iie n THR 122 Cb 0.58 -0.80 0.11 0.00 -1.82 0.00 0.00 70.33 68.40 1iie n THR 122 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 1iie h GLU 123 N 0.00 1.05 0.00 -2.82 5.08 -1.97 1.47 114.58 117.39 1iie h GLU 123 Ca 0.00 -0.21 -0.07 0.00 -1.00 0.00 0.00 59.36 58.08 1iie h GLU 123 Cb 0.86 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 1iie h GLU 123 CO 0.00 0.89 -0.33 -0.44 -1.00 0.00 0.00 179.01 178.13 1iie h ASP 124 N 1.01 0.00 0.91 1.42 3.32 -1.97 1.29 116.42 122.40 1iie h ASP 124 Ca 0.22 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.12 1iie h ASP 124 Cb 0.28 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.81 1iie h ASP 124 CO -0.01 0.33 -1.17 -0.74 -1.72 0.00 0.00 179.24 175.94 1iie h HIS 125 N 0.00 0.00 0.08 4.55 2.76 -1.46 -2.43 115.15 118.65 1iie h HIS 125 Ca -0.00 0.00 -0.32 0.00 -2.20 0.00 0.00 60.37 57.85 1iie h HIS 125 Cb 0.89 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 29.83 1iie h HIS 125 CO 0.00 0.58 -1.75 0.28 -1.30 0.00 0.00 177.93 175.74 1iie h VAL 126 N 0.00 0.86 -0.63 5.26 2.07 0.22 -2.65 116.25 121.39 1iie h VAL 126 Ca -0.12 -2.61 -0.05 0.00 0.82 0.00 0.00 66.70 64.74 1iie h VAL 126 Cb 1.54 2.55 -0.03 0.00 -1.52 0.00 0.00 31.29 33.84 1iie h VAL 126 CO 0.05 0.73 0.18 -0.03 0.02 0.00 0.00 177.57 178.53 1iie h MET 127 N 0.04 0.98 -0.36 1.57 -1.53 0.16 -1.06 114.93 114.74 1iie h MET 127 Ca -0.32 -0.22 -0.11 0.00 -3.44 0.00 0.00 59.70 55.61 1iie h MET 127 Cb 2.02 -0.14 -0.01 0.00 -0.55 0.00 0.00 31.60 32.92 1iie h MET 127 CO 0.11 0.88 -0.25 0.45 0.14 0.00 0.00 176.91 178.24 1iie h HIS 128 N 0.91 0.82 0.00 1.39 3.86 -1.52 0.56 115.15 121.16 1iie h HIS 128 Ca 0.20 -0.19 -0.00 0.00 -1.16 0.00 0.00 60.37 59.22 1iie h HIS 128 Cb 0.31 -0.19 -0.00 0.00 1.06 0.00 0.00 27.41 28.59 1iie h HIS 128 CO 0.02 0.89 -0.02 -0.07 0.86 0.00 0.00 177.93 179.61 1iie h LEU 129 N 0.63 0.00 0.00 2.43 -0.00 -0.99 -1.75 115.31 115.63 1iie h LEU 129 Ca 0.08 0.00 -0.10 0.00 -0.00 0.00 0.00 57.88 57.86 1iie h LEU 129 Cb 0.74 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.39 1iie h LEU 129 CO 0.06 0.02 -2.10 0.18 -0.00 0.00 0.00 178.44 176.60 1iie n LEU 130 N -3.22 0.00 -0.00 1.67 4.77 -0.47 -3.39 117.00 116.36 1iie n LEU 130 Ca -0.02 0.00 0.14 0.00 -0.03 0.00 0.00 56.01 56.11 1iie n LEU 130 Cb 0.17 0.14 0.70 0.00 -2.33 0.00 0.00 43.42 42.10 1iie n LEU 130 CO 0.24 0.14 0.99 0.00 -1.33 0.00 0.00 177.39 177.43 1iie n GLN 131 N -2.39 0.25 -0.02 3.23 6.02 0.19 -2.69 117.38 121.96 1iie n GLN 131 Ca -0.12 -0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 56.85 1iie n GLN 131 Cb 0.73 -1.50 -0.04 0.00 1.02 0.00 0.00 30.24 30.45 1iie n GLN 131 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1iie n ASN 132 N -1.37 3.74 0.09 1.08 5.15 -0.88 -4.60 115.26 118.47 1iie n ASN 132 Ca 0.11 0.00 -0.06 0.00 -0.60 0.00 0.00 54.58 54.03 1iie n ASN 132 Cb 0.28 0.66 0.01 0.00 -0.53 0.00 0.00 39.78 40.21 1iie n ASN 132 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1iie h ALA 133 N 0.27 0.60 -3.35 5.20 0.00 -1.63 -3.43 119.26 116.92 1iie h ALA 133 Ca -0.13 -0.73 -0.37 0.00 0.00 0.00 0.00 54.91 53.68 1iie h ALA 133 Cb 1.25 -0.10 -0.38 0.00 0.00 0.00 0.00 17.79 18.56 1iie h ALA 133 CO 0.01 0.96 -0.74 -0.51 0.00 0.00 0.00 179.25 178.97 1iie s ASP 134 N -6.85 0.98 0.00 0.00 1.01 -1.09 -5.00 116.67 105.72 1iie s ASP 134 Ca -0.01 0.04 0.23 0.00 0.71 0.00 0.00 52.55 53.52 1iie s ASP 134 Cb 0.11 -0.19 1.39 0.00 1.01 0.00 0.00 42.92 45.24 1iie s ASP 134 CO 0.81 -0.21 1.78 -0.81 0.21 0.00 0.00 175.17 176.95 1iie n PRO 135 N 4.99 0.78 -0.50 8.23 -0.04 -1.26 -3.00 135.00 144.20 1iie n PRO 135 Ca -0.10 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.43 1iie n PRO 135 Cb 0.50 -1.47 0.26 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 -0.97 3.99 -4.76 1.53 4.77 -1.26 -4.98 117.00 115.32 1iie n LEU 136 Ca 0.17 -3.09 -0.38 0.00 -0.03 0.00 0.00 56.01 52.69 1iie n LEU 136 Cb 0.08 -0.56 -0.06 0.00 -2.33 0.00 0.00 43.42 40.55 1iie n LEU 136 CO 0.13 0.72 0.16 -0.54 -1.33 0.00 0.00 177.39 176.53 1iie s LYS 137 N -2.87 4.22 -0.00 3.23 -0.14 -1.16 -5.07 119.74 117.94 1iie s LYS 137 Ca 0.43 0.45 0.01 0.00 -1.36 0.00 0.00 55.97 55.50 1iie s LYS 137 Cb 0.35 -3.36 -0.00 0.00 -1.68 0.00 0.00 37.83 33.14 1iie s LYS 137 CO 0.08 0.34 -0.03 0.08 -0.76 0.00 0.00 175.35 175.06 1iie s VAL 138 N 0.02 0.27 -0.54 3.17 1.01 -1.26 -4.92 120.40 118.16 1iie s VAL 138 Ca 0.25 -0.14 0.04 0.00 0.00 0.00 0.00 61.98 62.13 1iie s VAL 138 Cb -0.16 -0.24 0.15 0.00 0.00 0.00 0.00 36.38 36.14 1iie s VAL 138 CO 0.12 0.08 0.35 -0.31 0.00 0.00 0.00 175.10 175.33 1iie s TYR 139 N -0.06 2.63 0.65 5.22 2.02 -1.26 -5.07 117.35 121.48 1iie s TYR 139 Ca 0.01 -2.87 -0.17 0.00 -0.37 0.00 0.00 57.07 53.67 1iie s TYR 139 Cb -0.02 -2.21 -0.03 0.00 -0.40 0.00 0.00 41.96 39.31 1iie s TYR 139 CO -0.00 -0.70 0.95 -0.35 -1.57 0.00 0.00 175.55 173.88 1iie n PRO 140 N 2.82 0.74 -1.89 -1.71 -0.04 -1.26 -4.80 135.00 128.86 1iie n PRO 140 Ca 0.15 0.30 -0.36 0.00 -0.04 0.00 0.00 63.50 63.55 1iie n PRO 140 Cb 0.36 -2.18 -0.03 0.00 -0.04 0.00 0.00 33.50 31.61 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 -2.97 2.44 -0.85 0.54 0.04 -1.26 -4.90 135.00 128.04 1iie s PRO 141 Ca 0.75 0.76 -0.21 0.00 0.04 0.00 0.00 61.00 62.34 1iie s PRO 141 Cb -0.39 -4.51 0.09 0.00 0.04 0.00 0.00 34.50 29.74 1iie s PRO 141 CO 0.48 -2.99 1.14 -0.51 0.04 0.00 0.00 177.00 175.16 1iie s LEU 142 N 10.23 4.44 -0.01 -3.56 1.43 -1.26 -4.74 118.68 125.21 1iie s LEU 142 Ca 0.77 -1.50 0.17 0.00 -1.03 0.00 0.00 54.13 52.53 1iie s LEU 142 Cb -0.13 -2.45 -0.21 0.00 0.03 0.00 0.00 46.19 43.43 1iie s LEU 142 CO 0.20 -1.31 0.56 0.29 0.23 0.00 0.00 176.35 176.32 1iie n LYS 143 N 7.52 1.16 0.00 1.70 4.76 -1.26 -4.92 118.16 127.12 1iie n LYS 143 Ca 0.15 -0.06 0.00 0.00 -2.87 0.00 0.00 58.31 55.53 1iie n LYS 143 Cb 0.48 -1.32 0.00 0.00 -1.84 0.00 0.00 35.03 32.35 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 1.45 -1.69 3.92 0.72 0.00 -1.26 -5.00 105.19 103.34 1iie n GLY 144 Ca 0.01 -1.11 -0.28 0.00 0.00 0.00 0.00 46.02 44.63 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 -1.61 6.40 0.36 1.61 0.01 -1.26 -4.70 113.70 114.51 1iie s SER 145 Ca 0.00 0.44 0.19 0.00 1.31 0.00 0.00 55.95 57.89 1iie s SER 145 Cb 0.00 -2.02 1.28 0.00 0.21 0.00 0.00 66.02 65.49 1iie s SER 145 CO 0.00 -0.04 1.60 0.15 0.41 0.00 0.00 173.24 175.36 1iie h PHE 146 N 2.09 0.85 0.00 2.43 3.57 -1.96 2.52 116.94 126.45 1iie h PHE 146 Ca -0.48 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.04 1iie h PHE 146 Cb 1.19 -0.20 -0.00 0.00 2.79 0.00 0.00 35.95 39.72 1iie h PHE 146 CO 0.56 -0.40 -0.12 -1.00 -2.23 0.00 0.00 178.31 175.12 1iie h PRO 147 N 0.09 0.00 0.09 6.41 0.13 -1.98 0.45 132.00 137.19 1iie h PRO 147 Ca 0.82 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 65.73 1iie h PRO 147 Cb 2.10 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 33.23 1iie h PRO 147 CO -0.72 0.12 -1.09 0.93 -0.23 0.00 0.00 178.00 177.01 1iie h GLU 148 N 0.00 0.19 -0.19 0.86 4.39 0.33 -1.88 114.58 118.28 1iie h GLU 148 Ca -0.00 -0.32 0.06 0.00 0.34 0.00 0.00 59.36 59.43 1iie h GLU 148 Cb 0.78 0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.54 1iie h GLU 148 CO 0.02 1.15 0.18 -0.91 -1.16 0.00 0.00 179.01 178.29 1iie h ASN 149 N -0.51 0.00 0.02 1.42 4.21 0.17 1.31 115.58 122.21 1iie h ASN 149 Ca -0.24 0.00 -0.15 0.00 1.21 0.00 0.00 56.30 57.12 1iie h ASN 149 Cb 1.57 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.76 1iie h ASN 149 CO 0.03 0.00 -0.78 -0.07 -1.29 0.00 0.00 177.43 175.32 1iie h LEU 150 N 0.00 0.08 -1.80 1.61 3.38 -0.93 -2.77 115.31 114.89 1iie h LEU 150 Ca 0.09 -0.77 -0.03 0.00 0.09 0.00 0.00 57.88 57.26 1iie h LEU 150 Cb 0.44 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 1iie h LEU 150 CO -0.00 1.32 -0.13 0.03 0.09 0.00 0.00 178.44 179.74 1iie h ARG 151 N -0.87 0.00 0.09 1.13 2.47 -0.68 0.89 114.38 117.42 1iie h ARG 151 Ca -0.20 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.52 1iie h ARG 151 Cb 1.27 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.59 1iie h ARG 151 CO -0.07 0.13 -0.04 1.25 0.56 0.00 0.00 179.97 181.79 1iie h HIS 152 N 0.00 -0.11 -0.86 3.04 2.76 0.16 1.30 115.15 121.43 1iie h HIS 152 Ca -0.00 -0.00 0.13 0.00 -2.20 0.00 0.00 60.37 58.30 1iie h HIS 152 Cb 0.40 0.04 -0.07 0.00 1.55 0.00 0.00 27.41 29.33 1iie h HIS 152 CO 0.00 0.41 0.56 -0.07 -1.30 0.00 0.00 177.93 177.52 1iie h LEU 153 N -0.74 0.64 0.17 0.26 3.38 -1.13 1.81 115.31 119.70 1iie h LEU 153 Ca -0.01 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1iie h LEU 153 Cb 0.57 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1iie h LEU 153 CO 0.02 0.34 -0.08 0.50 0.09 0.00 0.00 178.44 179.31 1iie h LYS 154 N 0.68 -0.22 0.00 1.13 3.11 -0.63 1.03 116.57 121.68 1iie h LYS 154 Ca 0.43 0.01 0.00 0.00 -2.81 0.00 0.00 60.65 58.28 1iie h LYS 154 Cb 0.67 0.05 0.00 0.00 -1.00 0.00 0.00 32.23 31.95 1iie h LYS 154 CO -0.19 0.21 0.00 0.09 -2.81 0.00 0.00 179.45 176.75 1iie n ASN 155 N -4.94 0.00 0.02 4.20 4.13 0.44 -4.12 115.26 114.99 1iie n ASN 155 Ca -0.08 0.32 -0.02 0.00 1.68 0.00 0.00 54.58 56.49 1iie n ASN 155 Cb 0.26 -0.42 -0.01 0.00 -1.54 0.00 0.00 39.78 38.08 1iie n ASN 155 CO 0.00 0.00 0.00 0.41 0.28 0.00 0.00 177.26 177.95 1iie n THR 156 N -1.42 1.12 -0.24 3.41 -1.04 0.61 -5.01 114.28 111.71 1iie n THR 156 Ca 0.06 0.32 -0.31 0.00 -2.04 0.00 0.00 64.05 62.08 1iie n THR 156 Cb 0.18 -1.67 0.30 0.00 -1.82 0.00 0.00 70.33 67.32 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 -3.55 -4.76 -1.96 -2.82 0.00 0.36 -4.85 117.12 99.54 1iie n MET 157 Ca -0.03 -1.41 -0.42 0.00 0.00 0.00 0.00 57.70 55.84 1iie n MET 157 Cb 0.10 -1.94 -0.03 0.00 0.00 0.00 0.00 33.22 31.35 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 -5.03 4.21 0.50 3.17 2.02 -1.26 -4.79 118.70 117.52 1iie s GLU 158 Ca 0.68 2.31 0.30 0.00 0.02 0.00 0.00 54.97 58.28 1iie s GLU 158 Cb -0.13 -3.43 1.41 0.00 0.10 0.00 0.00 34.13 32.08 1iie s GLU 158 CO 0.57 -0.67 1.80 1.15 0.02 0.00 0.00 175.26 178.14 1iie h THR 159 N 4.51 0.46 0.00 3.63 2.02 -1.89 1.72 112.91 123.36 1iie h THR 159 Ca -0.42 -0.04 -0.17 0.00 0.77 0.00 0.00 66.41 66.55 1iie h THR 159 Cb 1.20 0.33 -0.03 0.00 -1.74 0.00 0.00 68.15 67.91 1iie h THR 159 CO 0.92 0.02 -0.92 -0.29 0.37 0.00 0.00 175.52 175.62 1iie h ILE 160 N 0.12 1.14 0.00 3.11 2.10 -1.96 0.79 117.51 122.81 1iie h ILE 160 Ca 0.56 -2.69 -0.17 0.00 1.08 0.00 0.00 64.86 63.64 1iie h ILE 160 Cb 1.97 2.53 -0.02 0.00 -1.09 0.00 0.00 36.82 40.21 1iie h ILE 160 CO -0.10 0.65 -0.81 -0.78 -1.08 0.00 0.00 178.15 176.03 1iie h ASP 161 N 0.00 0.00 0.21 2.19 3.58 0.89 -1.11 116.42 122.18 1iie h ASP 161 Ca -0.05 0.00 -0.20 0.00 0.42 0.00 0.00 57.03 57.20 1iie h ASP 161 Cb 1.61 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.66 1iie h ASP 161 CO 0.09 0.81 -0.77 -0.25 -2.88 0.00 0.00 179.24 176.24 1iie h TRP 162 N 0.00 0.63 -0.14 0.28 2.91 0.22 0.83 115.95 120.69 1iie h TRP 162 Ca -0.01 -0.29 0.02 0.00 1.13 0.00 0.00 58.89 59.74 1iie h TRP 162 Cb 1.51 -0.09 -0.02 0.00 -0.51 0.00 0.00 29.16 30.05 1iie h TRP 162 CO 0.00 1.06 0.03 0.87 -1.03 0.00 0.00 178.44 179.37 1iie h LYS 163 N 0.31 0.09 -0.43 2.65 1.79 0.10 1.03 116.57 122.11 1iie h LYS 163 Ca -0.04 -0.01 -0.11 0.00 -2.18 0.00 0.00 60.65 58.31 1iie h LYS 163 Cb 1.36 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 31.97 1iie h LYS 163 CO 0.14 0.06 -0.19 0.28 -1.08 0.00 0.00 179.45 178.66 1iie h VAL 164 N 0.09 1.27 -0.50 0.50 2.07 -1.06 0.24 116.25 118.86 1iie h VAL 164 Ca 0.06 -1.30 -0.12 0.00 0.82 0.00 0.00 66.70 66.16 1iie h VAL 164 Cb 0.05 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 1iie h VAL 164 CO -0.08 0.44 -0.14 0.15 0.02 0.00 0.00 177.57 177.97 1iie h PHE 165 N 0.73 1.10 -0.18 1.57 3.57 0.16 0.47 116.94 124.36 1iie h PHE 165 Ca 0.11 -0.24 -0.01 0.00 3.53 0.00 0.00 57.97 61.35 1iie h PHE 165 Cb 0.71 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 39.17 1iie h PHE 165 CO 0.04 1.05 0.07 0.93 -2.23 0.00 0.00 178.31 178.17 1iie h GLU 166 N 0.84 0.28 -0.10 1.11 4.39 0.13 0.84 114.58 122.06 1iie h GLU 166 Ca 0.12 -0.05 0.01 0.00 0.34 0.00 0.00 59.36 59.78 1iie h GLU 166 Cb 0.70 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.31 1iie h GLU 166 CO 0.05 0.36 0.07 0.77 -1.16 0.00 0.00 179.01 179.10 1iie h SER 167 N 0.13 0.10 -0.26 1.42 0.02 -0.68 1.07 113.55 115.35 1iie h SER 167 Ca 0.06 -0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 60.82 1iie h SER 167 Cb 0.19 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.71 1iie h SER 167 CO -0.00 0.07 -0.57 -0.25 -1.14 0.00 0.00 176.83 174.93 1iie h TRP 168 N 0.11 1.09 -0.23 3.45 7.01 0.18 0.43 115.95 127.99 1iie h TRP 168 Ca 0.04 -0.40 -0.15 0.00 2.11 0.00 0.00 58.89 60.49 1iie h TRP 168 Cb 0.02 -0.20 -0.01 0.00 -2.10 0.00 0.00 29.16 26.87 1iie h TRP 168 CO -0.00 1.23 -0.47 0.52 -2.79 0.00 0.00 178.44 176.92 1iie h MET 169 N 0.65 0.62 -0.05 2.65 2.86 0.28 0.56 114.93 122.50 1iie h MET 169 Ca 0.01 -0.35 -0.01 0.00 -2.06 0.00 0.00 59.70 57.29 1iie h MET 169 Cb 1.18 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.86 1iie h MET 169 CO 0.13 0.96 0.00 1.25 1.06 0.00 0.00 176.91 180.31 1iie h HIS 170 N 0.49 0.09 -0.29 -0.22 -0.00 0.13 0.82 115.15 116.18 1iie h HIS 170 Ca 0.03 -0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.37 1iie h HIS 170 Cb 1.01 -0.02 -0.01 0.00 -0.00 0.00 0.00 27.41 28.38 1iie h HIS 170 CO 0.05 0.34 0.13 0.45 -0.00 0.00 0.00 177.93 178.90 1iie h HIS 171 N -0.18 0.43 -0.95 5.26 -0.00 -0.00 0.40 115.15 120.09 1iie h HIS 171 Ca 0.01 -0.03 0.16 0.00 -0.00 0.00 0.00 60.37 60.52 1iie h HIS 171 Cb 0.30 -0.13 -0.10 0.00 -0.00 0.00 0.00 27.41 27.49 1iie h HIS 171 CO 0.02 0.40 0.56 2.35 -0.00 0.00 0.00 177.93 181.27 1iie h TRP 172 N 0.32 1.00 0.48 2.45 7.01 0.35 -0.20 115.95 127.36 1iie h TRP 172 Ca 0.10 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.11 1iie h TRP 172 Cb 0.15 -0.30 0.00 0.00 -2.10 0.00 0.00 29.16 26.91 1iie h TRP 172 CO -0.01 0.27 -0.23 1.25 -2.79 0.00 0.00 178.44 176.93 1iie h LEU 173 N 0.78 -0.55 -0.11 0.65 5.85 0.25 -1.83 115.31 120.35 1iie h LEU 173 Ca 0.52 -0.07 0.02 0.00 0.84 0.00 0.00 57.88 59.19 1iie h LEU 173 Cb 0.72 0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.85 1iie h LEU 173 CO -0.35 -0.16 -0.35 -0.07 -0.34 0.00 0.00 178.44 177.17 1iie h LEU 174 N -1.02 -1.13 -0.65 2.25 3.38 0.26 0.38 115.31 118.78 1iie h LEU 174 Ca -0.07 0.14 0.06 0.00 0.09 0.00 0.00 57.88 58.10 1iie h LEU 174 Cb 0.59 0.44 -0.08 0.00 0.09 0.00 0.00 40.66 41.70 1iie h LEU 174 CO 0.11 -0.31 -0.38 0.33 0.09 0.00 0.00 178.44 178.27 1iie n PHE 175 N -4.42 -0.29 -0.34 1.13 -0.00 -0.14 0.17 117.46 113.57 1iie n PHE 175 Ca -0.04 0.81 0.10 0.00 -0.00 0.00 0.00 57.45 58.32 1iie n PHE 175 Cb 0.24 -0.55 0.27 0.00 -0.00 0.00 0.00 39.48 39.44 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 0.78 0.22 -4.13 5.08 -0.79 1.07 114.58 116.80 1iie h GLU 176 Ca 0.10 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 1iie h GLU 176 Cb 0.27 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1iie h GLU 176 CO -0.61 0.52 -0.10 1.98 -1.00 0.00 0.00 179.01 179.79 1iie h MET 177 N 0.80 -0.28 -0.87 2.33 4.05 0.42 -1.69 114.93 119.69 1iie h MET 177 Ca 0.52 0.02 0.05 0.00 -0.28 0.00 0.00 59.70 60.01 1iie h MET 177 Cb 0.70 0.06 -0.06 0.00 -0.80 0.00 0.00 31.60 31.51 1iie h MET 177 CO -0.34 0.09 0.56 0.66 0.23 0.00 0.00 176.91 178.11 1iie h SER 178 N -0.74 0.90 -0.17 1.39 4.64 0.24 -0.86 113.55 118.95 1iie h SER 178 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1iie h SER 178 Cb 0.50 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 1iie h SER 178 CO 0.05 0.60 0.00 -2.11 -0.87 0.00 0.00 176.83 174.50 1iie n ARG 179 N -4.57 1.75 -0.32 4.77 -4.01 0.36 -3.95 116.66 110.69 1iie n ARG 179 Ca 0.12 -0.76 0.03 0.00 -1.04 0.00 0.00 57.85 56.20 1iie n ARG 179 Cb 0.13 -1.44 0.16 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 0.12 0.75 0.18 2.89 -0.00 -0.33 -4.26 115.22 114.57 1iie n HIS 180 Ca 0.07 -0.27 0.17 0.00 0.46 0.00 0.00 57.72 58.15 1iie n HIS 180 Cb 0.34 -0.21 0.81 0.00 -0.12 0.00 0.00 29.99 30.81 1iie n HIS 180 CO 0.00 0.00 0.00 0.77 0.46 0.00 0.00 176.34 177.57 1iie h SER 181 N 1.66 0.00 0.00 0.26 0.02 -1.79 -2.96 113.55 110.74 1iie h SER 181 Ca 0.00 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.86 1iie h SER 181 Cb 0.94 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.47 1iie h SER 181 CO 0.15 0.00 -0.77 -0.07 -1.14 0.00 0.00 176.83 175.01 1iie h LEU 182 N 0.00 0.00 -8.26 5.07 3.38 -1.95 -3.42 115.31 110.13 1iie h LEU 182 Ca 0.10 -0.20 -0.21 0.00 0.09 0.00 0.00 57.88 57.67 1iie h LEU 182 Cb 0.58 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.29 1iie h LEU 182 CO -0.00 1.02 0.52 -1.61 0.09 0.00 0.00 178.44 178.46 1iie s GLU 183 N -2.26 2.26 -0.13 1.13 2.02 -1.12 -4.87 118.70 115.73 1iie s GLU 183 Ca -0.20 -0.04 -0.06 0.00 0.02 0.00 0.00 54.97 54.70 1iie s GLU 183 Cb 0.03 -4.97 0.06 0.00 0.10 0.00 0.00 34.13 29.35 1iie s GLU 183 CO 0.35 -3.71 0.28 -1.14 0.02 0.00 0.00 175.26 171.06 1iie s GLN 184 N 7.60 0.21 -0.31 1.61 0.74 -1.26 -4.92 119.66 123.33 1iie s GLN 184 Ca 0.77 0.67 0.00 0.00 0.05 0.00 0.00 55.36 56.85 1iie s GLN 184 Cb -0.09 -0.06 0.14 0.00 1.10 0.00 0.00 33.01 34.11 1iie s GLN 184 CO 0.02 -0.21 0.31 0.21 -0.55 0.00 0.00 175.29 175.07 1iie s LYS 185 N 1.78 0.41 0.57 1.67 2.20 -1.26 -5.14 119.74 119.96 1iie s LYS 185 Ca -0.05 -0.37 -0.17 0.00 -0.36 0.00 0.00 55.97 55.01 1iie s LYS 185 Cb -0.11 -0.70 -0.05 0.00 -1.51 0.00 0.00 37.83 35.46 1iie s LYS 185 CO -0.09 -1.08 1.06 -1.25 -0.36 0.00 0.00 175.35 173.63 1iie s PRO 186 N 2.07 3.39 -0.14 4.03 0.04 -1.26 -5.06 135.00 138.07 1iie s PRO 186 Ca 0.12 1.30 -0.26 0.00 0.04 0.00 0.00 61.00 62.19 1iie s PRO 186 Cb -0.15 -2.04 0.06 0.00 0.04 0.00 0.00 34.50 32.42 1iie s PRO 186 CO -0.24 -0.76 0.64 -0.08 0.04 0.00 0.00 177.00 176.60 1iie s THR 187 N -2.26 0.00 -0.28 1.26 -1.32 -1.26 -5.14 115.64 106.64 1iie s THR 187 Ca 0.66 -0.04 -0.00 0.00 -1.21 0.00 0.00 61.69 61.09 1iie s THR 187 Cb -0.17 -0.93 0.17 0.00 -1.51 0.00 0.00 72.50 70.05 1iie s THR 187 CO 0.32 -0.02 0.50 -0.62 -2.21 0.00 0.00 174.62 172.59 1iie s ASP 188 N -0.45 -0.63 0.10 8.08 2.15 -1.26 -5.15 116.67 119.50 1iie s ASP 188 Ca -0.06 0.41 0.09 0.00 0.43 0.00 0.00 52.55 53.43 1iie s ASP 188 Cb -0.03 1.65 -0.04 0.00 -0.30 0.00 0.00 42.92 44.21 1iie s ASP 188 CO 0.05 -0.29 -0.22 0.00 -0.17 0.00 0.00 175.17 174.54 1iie s ALA 189 N 2.71 2.50 0.70 3.66 0.00 -1.26 -5.12 121.76 124.95 1iie s ALA 189 Ca 0.15 -1.35 -0.12 0.00 0.00 0.00 0.00 51.96 50.65 1iie s ALA 189 Cb -0.14 -0.55 0.02 0.00 0.00 0.00 0.00 23.12 22.44 1iie s ALA 189 CO -0.21 0.56 1.08 -1.25 0.00 0.00 0.00 175.76 175.94 1iie s PRO 190 N -1.84 2.76 0.77 0.00 0.04 -1.26 -5.05 135.00 130.42 1iie s PRO 190 Ca 0.15 1.12 -0.13 0.00 0.04 0.00 0.00 61.00 62.18 1iie s PRO 190 Cb -0.10 -1.96 0.19 0.00 0.04 0.00 0.00 34.50 32.66 1iie s PRO 190 CO 0.07 -1.25 0.81 -0.35 0.04 0.00 0.00 177.00 176.32 1iie n PRO 191 N -2.99 -1.81 0.00 0.56 -0.04 -1.26 -5.36 135.00 124.10 1iie n PRO 191 Ca 0.09 -1.27 0.00 0.00 -0.04 0.00 0.00 63.50 62.27 1iie n PRO 191 Cb 0.53 -1.04 0.00 0.00 -0.04 0.00 0.00 33.50 32.95 1iie n PRO 191 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82