#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i7x h ALA 135 N 0.00 1.54 0.00 -1.41 0.00 -2.06 -2.55 119.26 114.78 1i7x h ALA 135 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1i7x h ALA 135 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1i7x h ALA 135 CO 0.00 -0.54 -0.37 0.28 0.00 0.00 0.00 179.25 178.62 1i7x n VAL 136 N -2.42 0.00 -0.33 0.00 0.31 -1.26 -4.70 118.33 109.93 1i7x n VAL 136 Ca -0.01 0.00 0.24 0.00 -0.01 0.00 0.00 64.34 64.56 1i7x n VAL 136 Cb 0.62 -0.30 0.47 0.00 -0.91 0.00 0.00 33.84 33.73 1i7x n VAL 136 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1i7x h VAL 137 N 0.00 0.29 0.37 2.52 2.07 -1.90 0.45 116.25 120.05 1i7x h VAL 137 Ca 0.00 -0.11 -0.02 0.00 0.82 0.00 0.00 66.70 67.40 1i7x h VAL 137 Cb 0.37 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.09 1i7x h VAL 137 CO 0.00 0.06 -0.18 0.78 0.02 0.00 0.00 177.57 178.25 1i7x h ASN 138 N 0.31 -0.42 -0.00 0.57 2.35 -1.83 -0.86 115.58 115.70 1i7x h ASN 138 Ca 0.73 -0.13 0.00 0.00 -0.55 0.00 0.00 56.30 56.35 1i7x h ASN 138 Cb 1.68 0.11 -0.00 0.00 0.05 0.00 0.00 38.32 40.16 1i7x h ASN 138 CO -0.61 -0.07 0.33 0.25 -1.65 0.00 0.00 177.43 175.68 1i7x h LEU 139 N -0.82 0.00 0.07 1.61 5.85 -0.50 0.47 115.31 121.99 1i7x h LEU 139 Ca -0.05 0.00 -0.31 0.00 0.84 0.00 0.00 57.88 58.36 1i7x h LEU 139 Cb 0.53 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.54 1i7x h LEU 139 CO 0.08 0.00 -1.68 -0.38 -0.34 0.00 0.00 178.44 176.13 1i7x n ILE 140 N -2.89 1.67 0.26 4.05 2.08 0.39 -3.88 119.36 121.04 1i7x n ILE 140 Ca -0.02 -0.38 0.14 0.00 0.56 0.00 0.00 62.75 63.05 1i7x n ILE 140 Cb 0.38 -1.88 0.69 0.00 -0.75 0.00 0.00 39.64 38.09 1i7x n ILE 140 CO 0.00 0.00 0.00 0.78 0.56 0.00 0.00 176.55 177.89 1i7x h ASN 141 N -0.41 0.00 0.00 4.38 2.35 0.45 -2.60 115.58 119.75 1i7x h ASN 141 Ca -0.39 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.36 1i7x h ASN 141 Cb 1.71 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.08 1i7x h ASN 141 CO -0.05 0.12 0.00 0.00 -1.65 0.00 0.00 177.43 175.85 1i7x n TYR 142 N -3.42 0.00 -0.49 1.19 9.36 0.15 0.35 117.16 124.29 1i7x n TYR 142 Ca -0.01 0.00 0.42 0.00 3.32 0.00 0.00 57.90 61.63 1i7x n TYR 142 Cb 0.29 -0.06 0.75 0.00 -0.63 0.00 0.00 39.34 39.68 1i7x n TYR 142 CO 0.00 0.00 0.00 -0.56 0.22 0.00 0.00 176.86 176.52 1i7x h GLN 143 N 0.00 0.04 0.50 2.98 3.07 -1.67 0.39 115.11 120.42 1i7x h GLN 143 Ca 0.00 -0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.71 1i7x h GLN 143 Cb 0.00 -0.01 0.00 0.00 0.08 0.00 0.00 27.48 27.56 1i7x h GLN 143 CO 0.00 0.03 -0.24 -0.44 0.09 0.00 0.00 178.83 178.27 1i7x h ASP 144 N 0.04 -0.57 -0.15 0.06 5.19 -1.34 0.33 116.42 119.99 1i7x h ASP 144 Ca 0.76 -0.03 0.04 0.00 -0.62 0.00 0.00 57.03 57.18 1i7x h ASP 144 Cb 2.85 0.15 -0.01 0.00 0.18 0.00 0.00 39.33 42.50 1i7x h ASP 144 CO -0.10 -0.16 0.11 0.44 -3.12 0.00 0.00 179.24 176.41 1i7x h ASP 145 N -1.13 0.00 0.48 6.45 3.32 0.21 -0.31 116.42 125.45 1i7x h ASP 145 Ca -0.07 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.96 1i7x h ASP 145 Cb 0.56 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.12 1i7x h ASP 145 CO 0.11 0.00 -0.23 0.00 -1.72 0.00 0.00 179.24 177.40 1i7x h ALA 146 N 1.93 -0.64 -0.80 3.45 0.00 -0.27 -1.49 119.26 121.43 1i7x h ALA 146 Ca 0.07 -0.17 0.15 0.00 0.00 0.00 0.00 54.91 54.96 1i7x h ALA 146 Cb 0.28 0.25 -0.06 0.00 0.00 0.00 0.00 17.79 18.26 1i7x h ALA 146 CO -0.00 -0.63 0.53 1.49 0.00 0.00 0.00 179.25 180.64 1i7x h GLU 147 N -1.10 0.46 -0.48 0.00 4.81 0.12 0.11 114.58 118.50 1i7x h GLU 147 Ca -0.07 -0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.04 1i7x h GLU 147 Cb 0.55 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.82 1i7x h GLU 147 CO 0.11 0.30 -0.08 1.25 -0.73 0.00 0.00 179.01 179.86 1i7x h LEU 148 N 0.47 0.90 -0.12 1.64 5.85 -1.02 -2.59 115.31 120.44 1i7x h LEU 148 Ca 0.40 -0.34 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 1i7x h LEU 148 Cb 0.86 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.64 1i7x h LEU 148 CO -0.14 1.03 0.03 0.00 -0.34 0.00 0.00 178.44 179.02 1i7x h ALA 149 N 0.90 0.15 -0.11 1.25 0.00 0.22 -0.06 119.26 121.61 1i7x h ALA 149 Ca 0.13 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.94 1i7x h ALA 149 Cb 0.62 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1i7x h ALA 149 CO 0.04 -0.22 0.40 1.15 0.00 0.00 0.00 179.25 180.62 1i7x h THR 150 N -0.00 0.09 0.00 0.00 2.02 -0.84 1.30 112.91 115.48 1i7x h THR 150 Ca 0.04 0.00 -0.19 0.00 0.77 0.00 0.00 66.41 67.03 1i7x h THR 150 Cb 0.23 0.62 -0.03 0.00 -1.74 0.00 0.00 68.15 67.23 1i7x h THR 150 CO -0.00 0.00 -1.57 -1.14 0.37 0.00 0.00 175.52 173.18 1i7x n ARG 151 N -3.08 0.63 0.01 6.66 0.63 -0.48 -4.34 116.66 116.69 1i7x n ARG 151 Ca 0.01 0.18 -0.10 0.00 -0.92 0.00 0.00 57.85 57.02 1i7x n ARG 151 Cb 0.48 -1.76 -0.14 0.00 0.45 0.00 0.00 32.46 31.49 1i7x n ARG 151 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1i7x h ALA 152 N 1.38 0.61 -0.07 5.13 0.00 0.33 -3.41 119.26 123.24 1i7x h ALA 152 Ca -0.20 -1.30 0.02 0.00 0.00 0.00 0.00 54.91 53.43 1i7x h ALA 152 Cb 1.65 0.34 -0.05 0.00 0.00 0.00 0.00 17.79 19.73 1i7x h ALA 152 CO 0.04 1.46 -0.45 0.82 0.00 0.00 0.00 179.25 181.12 1i7x h ILE 153 N 0.01 0.00 -0.97 0.00 1.08 -1.02 -1.71 117.51 114.90 1i7x h ILE 153 Ca -0.23 0.00 0.21 0.00 -0.39 0.00 0.00 64.86 64.45 1i7x h ILE 153 Cb 1.96 0.00 -0.18 0.00 -3.07 0.00 0.00 36.82 35.53 1i7x h ILE 153 CO 0.10 0.00 -0.19 -0.65 -0.69 0.00 0.00 178.15 176.72 1i7x h PRO 154 N -0.51 0.00 -0.03 2.37 0.11 -1.82 0.75 132.00 132.88 1i7x h PRO 154 Ca 0.02 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.13 1i7x h PRO 154 Cb 0.58 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.69 1i7x h PRO 154 CO -0.34 0.00 0.02 0.93 -0.21 0.00 0.00 178.00 178.40 1i7x h GLU 155 N 0.00 0.04 0.00 1.05 4.39 -1.70 0.11 114.58 118.47 1i7x h GLU 155 Ca 0.49 -0.00 -0.04 0.00 0.34 0.00 0.00 59.36 60.14 1i7x h GLU 155 Cb 0.81 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.44 1i7x h GLU 155 CO -0.98 0.04 -0.21 -0.07 -1.16 0.00 0.00 179.01 176.64 1i7x h LEU 156 N 0.02 0.00 0.46 1.33 3.38 0.64 0.32 115.31 121.46 1i7x h LEU 156 Ca 0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1i7x h LEU 156 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1i7x h LEU 156 CO -0.00 0.21 -0.22 0.74 0.09 0.00 0.00 178.44 179.26 1i7x h THR 157 N 0.00 0.37 -1.00 0.22 2.02 0.91 -0.52 112.91 114.90 1i7x h THR 157 Ca -0.00 -0.52 0.21 0.00 0.77 0.00 0.00 66.41 66.87 1i7x h THR 157 Cb 0.39 0.54 -0.11 0.00 -1.74 0.00 0.00 68.15 67.23 1i7x h THR 157 CO 0.03 0.06 0.61 0.11 0.37 0.00 0.00 175.52 176.70 1i7x h LYS 158 N -0.99 0.67 -0.41 6.66 1.57 -0.46 0.10 116.57 123.72 1i7x h LYS 158 Ca -0.06 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.61 1i7x h LYS 158 Cb 0.58 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 1i7x h LYS 158 CO 0.10 0.45 0.00 -0.07 -0.57 0.00 0.00 179.45 179.36 1i7x h LEU 159 N 0.70 0.71 -1.82 2.94 3.38 -0.76 -2.74 115.31 117.71 1i7x h LEU 159 Ca 0.60 -0.30 -0.03 0.00 0.09 0.00 0.00 57.88 58.23 1i7x h LEU 159 Cb 1.02 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.57 1i7x h LEU 159 CO -0.40 0.84 -0.15 -0.07 0.09 0.00 0.00 178.44 178.75 1i7x h LEU 160 N 0.56 0.00 -1.56 1.67 3.38 0.83 -1.49 115.31 118.70 1i7x h LEU 160 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1i7x h LEU 160 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1i7x h LEU 160 CO 0.02 0.15 0.00 0.59 0.09 0.00 0.00 178.44 179.29 1i7x n ASN 161 N -3.92 2.21 -4.90 -0.43 3.02 -0.47 -4.85 115.26 105.93 1i7x n ASN 161 Ca -0.02 -2.21 -0.28 0.00 -0.03 0.00 0.00 54.58 52.04 1i7x n ASN 161 Cb 0.24 -0.42 -0.01 0.00 -0.61 0.00 0.00 39.78 38.98 1i7x n ASN 161 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1i7x s ASP 162 N -0.55 6.34 0.17 6.41 -1.08 -0.56 -5.01 116.67 122.38 1i7x s ASP 162 Ca 0.19 1.00 0.13 0.00 -0.52 0.00 0.00 52.55 53.35 1i7x s ASP 162 Cb 0.13 -2.27 -0.07 0.00 -1.46 0.00 0.00 42.92 39.24 1i7x s ASP 162 CO 0.08 -0.53 1.21 -0.33 0.52 0.00 0.00 175.17 176.12 1i7x h GLU 163 N 0.52 0.00 -6.05 4.34 5.08 -1.91 -3.41 114.58 113.15 1i7x h GLU 163 Ca -0.47 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.28 1i7x h GLU 163 Cb 1.20 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.35 1i7x h GLU 163 CO 0.62 0.60 1.50 0.34 -1.00 0.00 0.00 179.01 181.07 1i7x s ASP 164 N -6.37 6.52 0.66 1.42 2.15 -1.26 -4.85 116.67 114.95 1i7x s ASP 164 Ca 0.01 -1.52 0.12 0.00 0.43 0.00 0.00 52.55 51.59 1i7x s ASP 164 Cb 0.08 -2.56 0.61 0.00 -0.30 0.00 0.00 42.92 40.75 1i7x s ASP 164 CO 0.79 -1.47 1.33 1.56 -0.17 0.00 0.00 175.17 177.20 1i7x h GLN 165 N 9.66 0.00 0.00 4.34 4.20 -1.98 0.99 115.11 132.32 1i7x h GLN 165 Ca 0.21 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.82 1i7x h GLN 165 Cb 1.00 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.77 1i7x h GLN 165 CO 1.42 0.00 -0.47 -0.24 -0.67 0.00 0.00 178.83 178.87 1i7x h VAL 166 N 0.00 0.98 0.09 -0.54 3.04 -1.96 0.32 116.25 118.18 1i7x h VAL 166 Ca 0.03 -1.87 -0.00 0.00 -1.01 0.00 0.00 66.70 63.85 1i7x h VAL 166 Cb 1.60 2.13 0.00 0.00 -2.01 0.00 0.00 31.29 33.01 1i7x h VAL 166 CO -0.00 0.46 -0.04 0.58 -1.01 0.00 0.00 177.57 177.56 1i7x h VAL 167 N 0.00 1.15 -0.28 1.51 2.07 0.67 -2.03 116.25 119.34 1i7x h VAL 167 Ca -0.00 -1.08 0.03 0.00 0.82 0.00 0.00 66.70 66.46 1i7x h VAL 167 Cb 1.09 1.82 -0.03 0.00 -1.52 0.00 0.00 31.29 32.65 1i7x h VAL 167 CO 0.06 0.26 0.11 0.58 0.02 0.00 0.00 177.57 178.59 1i7x h VAL 168 N -0.63 0.94 -0.50 2.57 2.07 -1.42 0.17 116.25 119.44 1i7x h VAL 168 Ca -0.01 -0.08 0.10 0.00 0.82 0.00 0.00 66.70 67.52 1i7x h VAL 168 Cb 0.51 0.68 -0.08 0.00 -1.52 0.00 0.00 31.29 30.89 1i7x h VAL 168 CO 0.02 0.04 0.02 0.78 0.02 0.00 0.00 177.57 178.46 1i7x h ASN 169 N 0.24 -0.16 -0.29 0.57 -0.26 -0.36 0.27 115.58 115.58 1i7x h ASN 169 Ca 0.12 0.11 -0.01 0.00 -0.56 0.00 0.00 56.30 55.96 1i7x h ASN 169 Cb 0.08 0.19 -0.01 0.00 -1.06 0.00 0.00 38.32 37.51 1i7x h ASN 169 CO -0.11 -0.05 0.14 0.11 -1.06 0.00 0.00 177.43 176.45 1i7x h LYS 170 N 0.14 0.42 -0.42 0.81 1.57 -0.61 -2.80 116.57 115.68 1i7x h LYS 170 Ca 0.25 -0.06 0.07 0.00 -1.87 0.00 0.00 60.65 59.04 1i7x h LYS 170 Cb 0.38 -0.08 -0.06 0.00 0.08 0.00 0.00 32.23 32.55 1i7x h LYS 170 CO -0.40 0.41 0.04 0.00 -0.57 0.00 0.00 179.45 178.93 1i7x h ALA 171 N 0.99 0.42 -1.00 3.86 0.00 0.52 -0.92 119.26 123.14 1i7x h ALA 171 Ca 0.10 0.11 0.16 0.00 0.00 0.00 0.00 54.91 55.28 1i7x h ALA 171 Cb 0.13 0.17 -0.10 0.00 0.00 0.00 0.00 17.79 17.99 1i7x h ALA 171 CO -0.01 -0.36 0.62 0.00 0.00 0.00 0.00 179.25 179.50 1i7x h ALA 172 N 1.35 1.63 -0.37 0.00 0.00 -0.31 0.02 119.26 121.58 1i7x h ALA 172 Ca 0.21 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 1i7x h ALA 172 Cb 0.29 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1i7x h ALA 172 CO -0.32 0.06 0.12 0.28 0.00 0.00 0.00 179.25 179.40 1i7x h VAL 173 N 0.86 1.21 -0.30 0.00 2.07 -0.93 -0.79 116.25 118.36 1i7x h VAL 173 Ca 0.54 -0.66 -0.05 0.00 0.82 0.00 0.00 66.70 67.34 1i7x h VAL 173 Cb 0.72 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 1i7x h VAL 173 CO -0.32 0.23 -0.02 -0.03 0.02 0.00 0.00 177.57 177.45 1i7x h MET 174 N 0.45 0.55 -0.26 1.57 -1.53 -0.87 -2.32 114.93 112.52 1i7x h MET 174 Ca 0.12 -0.19 0.06 0.00 -3.44 0.00 0.00 59.70 56.25 1i7x h MET 174 Cb 0.24 -0.04 -0.06 0.00 -0.55 0.00 0.00 31.60 31.18 1i7x h MET 174 CO -0.01 0.71 -0.16 0.28 0.14 0.00 0.00 176.91 177.87 1i7x h VAL 175 N 0.34 0.53 -0.48 -5.77 2.07 -0.86 -0.00 116.25 112.07 1i7x h VAL 175 Ca 0.08 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.69 1i7x h VAL 175 Cb 0.48 0.53 -0.07 0.00 -1.52 0.00 0.00 31.29 30.70 1i7x h VAL 175 CO 0.02 0.00 0.06 -0.74 0.02 0.00 0.00 177.57 176.93 1i7x h HIS 176 N -0.14 0.09 -0.16 1.57 6.17 -1.05 0.19 115.15 121.81 1i7x h HIS 176 Ca 0.14 0.03 0.04 0.00 0.71 0.00 0.00 60.37 61.29 1i7x h HIS 176 Cb 0.36 0.03 -0.04 0.00 2.52 0.00 0.00 27.41 30.29 1i7x h HIS 176 CO -0.34 -0.04 -0.07 0.37 0.71 0.00 0.00 177.93 178.55 1i7x h GLN 177 N 0.19 -0.05 -0.86 5.26 4.15 -0.69 -1.45 115.11 121.66 1i7x h GLN 177 Ca 0.24 0.00 0.06 0.00 0.77 0.00 0.00 58.65 59.72 1i7x h GLN 177 Cb 0.34 0.01 -0.06 0.00 0.21 0.00 0.00 27.48 27.98 1i7x h GLN 177 CO -0.35 -0.03 0.54 -0.07 -1.93 0.00 0.00 178.83 176.99 1i7x h LEU 178 N -0.05 0.85 0.00 -2.39 -0.00 -0.13 -0.15 115.31 113.43 1i7x h LEU 178 Ca 0.09 0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.98 1i7x h LEU 178 Cb 0.18 -0.17 0.00 0.00 -0.00 0.00 0.00 40.66 40.68 1i7x h LEU 178 CO -0.20 0.55 0.00 -1.54 -0.00 0.00 0.00 178.44 177.26 1i7x n SER 179 N -4.61 0.00 0.12 -0.43 3.41 0.57 -1.51 113.62 111.18 1i7x n SER 179 Ca 0.12 0.46 0.09 0.00 -0.26 0.00 0.00 58.87 59.28 1i7x n SER 179 Cb 0.16 -0.46 0.03 0.00 -0.26 0.00 0.00 64.21 63.68 1i7x n SER 179 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1i7x h LYS 180 N 0.00 0.00 -5.15 4.33 1.57 -0.76 -3.43 116.57 113.13 1i7x h LYS 180 Ca 0.00 0.00 -0.62 0.00 -1.87 0.00 0.00 60.65 58.16 1i7x h LYS 180 Cb 0.01 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 32.17 1i7x h LYS 180 CO 0.00 0.09 -0.52 0.15 -0.57 0.00 0.00 179.45 178.60 1i7x s LYS 181 N -3.22 4.04 0.54 3.15 3.01 -0.57 -4.99 119.74 121.71 1i7x s LYS 181 Ca 0.01 -0.29 0.33 0.00 -1.01 0.00 0.00 55.97 55.01 1i7x s LYS 181 Cb 0.08 -3.44 1.50 0.00 -1.01 0.00 0.00 37.83 34.96 1i7x s LYS 181 CO 0.76 0.13 1.86 1.49 0.51 0.00 0.00 175.35 180.10 1i7x h GLU 182 N 7.26 0.01 -0.08 1.68 4.81 -1.85 0.25 114.58 126.65 1i7x h GLU 182 Ca -0.38 -0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 58.73 1i7x h GLU 182 Cb 1.17 -0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.55 1i7x h GLU 182 CO 0.68 0.01 -0.39 0.00 -0.73 0.00 0.00 179.01 178.58 1i7x h ALA 183 N 1.51 0.15 -0.65 2.92 0.00 -1.92 -2.77 119.26 118.51 1i7x h ALA 183 Ca 0.47 -0.47 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1i7x h ALA 183 Cb 1.87 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.62 1i7x h ALA 183 CO -0.01 0.26 0.14 0.77 0.00 0.00 0.00 179.25 180.41 1i7x h SER 184 N -0.06 0.97 0.17 0.00 0.02 -1.31 -3.19 113.55 110.15 1i7x h SER 184 Ca -0.03 -0.20 0.01 0.00 -0.84 0.00 0.00 61.79 60.73 1i7x h SER 184 Cb 1.04 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 63.28 1i7x h SER 184 CO 0.08 0.95 -0.51 -0.09 -1.14 0.00 0.00 176.83 176.12 1i7x h ARG 185 N 0.98 -0.74 -0.99 3.45 9.65 -0.54 -2.72 114.38 123.47 1i7x h ARG 185 Ca 0.20 0.05 0.14 0.00 -1.10 0.00 0.00 59.98 59.27 1i7x h ARG 185 Cb 0.37 0.17 -0.09 0.00 -1.39 0.00 0.00 29.97 29.03 1i7x h ARG 185 CO 0.00 -0.49 0.62 0.45 2.80 0.00 0.00 179.97 183.35 1i7x h HIS 186 N -0.77 1.07 -0.50 2.20 3.86 -1.48 -0.37 115.15 119.16 1i7x h HIS 186 Ca -0.01 0.03 0.06 0.00 -1.16 0.00 0.00 60.37 59.30 1i7x h HIS 186 Cb 0.76 -0.34 -0.05 0.00 1.06 0.00 0.00 27.41 28.84 1i7x h HIS 186 CO -0.41 0.38 0.20 0.00 0.86 0.00 0.00 177.93 178.96 1i7x h ALA 187 N 1.57 0.62 -0.03 2.45 0.00 -1.50 0.49 119.26 122.87 1i7x h ALA 187 Ca 0.51 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.47 1i7x h ALA 187 Cb 0.61 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 1i7x h ALA 187 CO -0.28 -0.18 0.02 0.82 0.00 0.00 0.00 179.25 179.63 1i7x h ILE 188 N 0.40 1.01 -1.01 0.00 2.04 -0.92 -2.81 117.51 116.22 1i7x h ILE 188 Ca 0.24 -0.01 0.03 0.00 1.00 0.00 0.00 64.86 66.12 1i7x h ILE 188 Cb 0.22 0.97 -0.06 0.00 -0.74 0.00 0.00 36.82 37.21 1i7x h ILE 188 CO -0.22 0.01 0.66 0.24 0.00 0.00 0.00 178.15 178.84 1i7x h MET 189 N 0.03 1.25 -0.64 2.37 2.86 -0.90 -1.35 114.93 118.56 1i7x h MET 189 Ca 0.01 -0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 1i7x h MET 189 Cb -0.00 -0.28 0.00 0.00 0.06 0.00 0.00 31.60 31.37 1i7x h MET 189 CO -0.00 0.83 0.00 0.54 1.06 0.00 0.00 176.91 179.33 1i7x n ARG 190 N -4.43 0.90 -3.71 1.72 1.74 0.12 -4.53 116.66 108.47 1i7x n ARG 190 Ca 0.13 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.92 1i7x n ARG 190 Cb 0.08 -1.32 -0.13 0.00 -1.02 0.00 0.00 32.46 30.07 1i7x n ARG 190 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1i7x s SER 191 N -0.39 3.67 0.34 0.55 0.15 -0.51 -5.00 113.70 112.51 1i7x s SER 191 Ca 0.00 -2.57 0.12 0.00 0.70 0.00 0.00 55.95 54.20 1i7x s SER 191 Cb 0.00 -1.02 0.97 0.00 -1.71 0.00 0.00 66.02 64.26 1i7x s SER 191 CO 0.00 -0.27 1.71 1.55 1.20 0.00 0.00 173.24 177.43 1i7x h PRO 192 N 6.80 0.47 -0.22 5.44 0.13 -1.82 0.74 132.00 143.53 1i7x h PRO 192 Ca -0.02 -0.03 -0.18 0.00 -0.87 0.00 0.00 66.00 64.91 1i7x h PRO 192 Cb 0.93 -0.11 -0.00 0.00 0.13 0.00 0.00 31.00 31.95 1i7x h PRO 192 CO 0.48 0.31 -0.58 1.96 -0.23 0.00 0.00 178.00 179.94 1i7x h GLN 193 N 0.49 0.71 0.71 0.86 4.20 -1.94 -1.18 115.11 118.96 1i7x h GLN 193 Ca 0.67 -0.47 -0.03 0.00 0.06 0.00 0.00 58.65 58.87 1i7x h GLN 193 Cb 1.40 0.06 0.01 0.00 0.30 0.00 0.00 27.48 29.25 1i7x h GLN 193 CO -0.49 1.09 -0.34 1.98 -0.67 0.00 0.00 178.83 180.40 1i7x h MET 194 N 0.54 -0.92 -0.99 1.46 4.05 -1.21 -1.84 114.93 116.01 1i7x h MET 194 Ca 0.00 0.06 0.08 0.00 -0.28 0.00 0.00 59.70 59.56 1i7x h MET 194 Cb 1.16 0.21 -0.07 0.00 -0.80 0.00 0.00 31.60 32.10 1i7x h MET 194 CO 0.12 -0.59 0.64 0.28 0.23 0.00 0.00 176.91 177.59 1i7x h VAL 195 N -1.06 1.05 -0.65 -5.77 2.07 -1.31 -1.05 116.25 109.52 1i7x h VAL 195 Ca -0.10 -0.39 0.02 0.00 0.82 0.00 0.00 66.70 67.06 1i7x h VAL 195 Cb 0.76 -0.18 -0.04 0.00 -1.52 0.00 0.00 31.29 30.31 1i7x h VAL 195 CO 0.16 0.21 0.41 -1.28 0.02 0.00 0.00 177.57 177.09 1i7x h SER 196 N 1.13 0.68 -0.02 0.57 0.87 -1.12 -1.01 113.55 114.65 1i7x h SER 196 Ca 0.44 -0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 61.00 1i7x h SER 196 Cb 0.23 -0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 62.04 1i7x h SER 196 CO -0.19 0.48 0.01 0.00 -0.53 0.00 0.00 176.83 176.59 1i7x h ALA 197 N 1.27 0.02 -0.59 6.23 0.00 -0.36 -1.22 119.26 124.60 1i7x h ALA 197 Ca 0.26 -0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.22 1i7x h ALA 197 Cb -0.01 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 17.70 1i7x h ALA 197 CO -0.09 -0.44 0.19 0.82 0.00 0.00 0.00 179.25 179.73 1i7x h ILE 198 N -0.06 0.73 0.66 0.00 2.04 -0.91 -0.94 117.51 119.03 1i7x h ILE 198 Ca 0.01 -0.12 -0.03 0.00 1.00 0.00 0.00 64.86 65.71 1i7x h ILE 198 Cb 0.08 0.35 0.01 0.00 -0.74 0.00 0.00 36.82 36.52 1i7x h ILE 198 CO -0.00 0.06 -0.33 0.58 0.00 0.00 0.00 178.15 178.46 1i7x h VAL 199 N 0.35 0.00 -0.77 1.67 2.07 -0.85 -1.51 116.25 117.22 1i7x h VAL 199 Ca 0.30 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.95 1i7x h VAL 199 Cb 0.40 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.03 1i7x h VAL 199 CO -0.33 0.00 -0.33 0.03 0.02 0.00 0.00 177.57 176.96 1i7x h ARG 200 N -0.90 -0.08 -0.38 1.57 3.08 -0.98 -0.12 114.38 116.57 1i7x h ARG 200 Ca -0.09 0.01 0.07 0.00 0.07 0.00 0.00 59.98 60.04 1i7x h ARG 200 Cb 0.69 0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.70 1i7x h ARG 200 CO 0.14 -0.05 -0.01 1.15 -1.07 0.00 0.00 179.97 180.13 1i7x h THR 201 N -0.08 0.70 -0.96 2.04 2.02 -1.13 -0.35 112.91 115.14 1i7x h THR 201 Ca 0.30 -0.03 0.05 0.00 0.77 0.00 0.00 66.41 67.50 1i7x h THR 201 Cb 0.58 0.60 -0.06 0.00 -1.74 0.00 0.00 68.15 67.53 1i7x h THR 201 CO -0.81 0.02 0.62 -0.03 0.37 0.00 0.00 175.52 175.69 1i7x h MET 202 N 0.09 1.14 0.00 6.66 1.85 0.04 0.29 114.93 125.01 1i7x h MET 202 Ca 0.19 -0.07 0.00 0.00 -0.61 0.00 0.00 59.70 59.21 1i7x h MET 202 Cb 0.27 -0.26 0.00 0.00 0.43 0.00 0.00 31.60 32.04 1i7x h MET 202 CO -0.32 0.76 -0.39 -0.56 -0.40 0.00 0.00 176.91 176.00 1i7x h GLN 203 N 1.18 0.00 0.00 0.39 3.07 -0.48 -3.35 115.11 115.92 1i7x h GLN 203 Ca 0.40 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.14 1i7x h GLN 203 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.63 1i7x h GLN 203 CO -0.14 0.00 -0.89 0.09 0.09 0.00 0.00 178.83 177.98 1i7x n ASN 204 N -2.64 0.96 -4.76 0.06 3.02 -0.22 -5.02 115.26 106.66 1i7x n ASN 204 Ca 0.03 -0.60 -0.35 0.00 -0.03 0.00 0.00 54.58 53.63 1i7x n ASN 204 Cb 0.50 1.16 0.03 0.00 -0.61 0.00 0.00 39.78 40.86 1i7x n ASN 204 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1i7x s THR 205 N -2.43 2.93 -0.66 3.41 -1.32 0.07 -4.95 115.64 112.70 1i7x s THR 205 Ca 0.02 0.55 0.06 0.00 -1.21 0.00 0.00 61.69 61.11 1i7x s THR 205 Cb 0.10 -3.18 0.12 0.00 -1.51 0.00 0.00 72.50 68.03 1i7x s THR 205 CO 0.55 -0.15 0.96 0.59 -2.21 0.00 0.00 174.62 174.35 1i7x n ASN 206 N -1.66 2.10 -4.53 8.08 3.02 -1.26 -4.97 115.26 116.05 1i7x n ASN 206 Ca 0.12 -1.68 -0.40 0.00 -0.03 0.00 0.00 54.58 52.59 1i7x n ASN 206 Cb 0.51 -0.08 -0.11 0.00 -0.61 0.00 0.00 39.78 39.49 1i7x n ASN 206 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1i7x s ASP 207 N -0.80 5.97 0.11 6.41 2.15 -1.26 -5.00 116.67 124.25 1i7x s ASP 207 Ca 0.11 -0.36 -0.34 0.00 0.43 0.00 0.00 52.55 52.40 1i7x s ASP 207 Cb 0.06 -2.11 -0.13 0.00 -0.30 0.00 0.00 42.92 40.44 1i7x s ASP 207 CO 0.09 -0.19 1.56 -0.37 -0.17 0.00 0.00 175.17 176.09 1i7x h VAL 208 N 5.49 0.03 -1.32 1.11 -1.51 -1.99 -0.13 116.25 117.93 1i7x h VAL 208 Ca -0.32 0.00 0.39 0.00 -1.23 0.00 0.00 66.70 65.54 1i7x h VAL 208 Cb 1.16 0.03 -0.09 0.00 -2.13 0.00 0.00 31.29 30.26 1i7x h VAL 208 CO 0.61 0.00 0.89 -0.08 -1.23 0.00 0.00 177.57 177.77 1i7x h GLU 209 N -0.68 0.12 0.06 5.19 4.57 -1.99 0.27 114.58 122.12 1i7x h GLU 209 Ca 0.01 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1i7x h GLU 209 Cb 0.73 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.29 1i7x h GLU 209 CO -0.33 0.08 -0.03 1.15 -1.18 0.00 0.00 179.01 178.70 1i7x h THR 210 N 0.13 1.23 -0.92 0.32 2.02 -1.44 -2.20 112.91 112.05 1i7x h THR 210 Ca 0.72 -1.45 0.15 0.00 0.77 0.00 0.00 66.41 66.60 1i7x h THR 210 Cb 2.42 2.12 -0.09 0.00 -1.74 0.00 0.00 68.15 70.86 1i7x h THR 210 CO -0.23 0.34 0.53 0.00 0.37 0.00 0.00 175.52 176.52 1i7x h ALA 211 N 0.00 1.43 -0.67 6.16 0.00 0.33 0.65 119.26 127.17 1i7x h ALA 211 Ca -0.01 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1i7x h ALA 211 Cb 0.62 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 1i7x h ALA 211 CO 0.01 -0.00 0.41 -0.09 0.00 0.00 0.00 179.25 179.58 1i7x h ARG 212 N 0.75 0.91 -0.01 0.00 2.43 -0.58 -1.17 114.38 116.71 1i7x h ARG 212 Ca 0.50 -0.08 -0.01 0.00 -0.81 0.00 0.00 59.98 59.58 1i7x h ARG 212 Cb 0.67 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.03 1i7x h ARG 212 CO -0.34 0.64 -0.03 0.00 -1.51 0.00 0.00 179.97 178.73 1i7x h THR 214 N -0.60 0.49 -0.77 0.00 1.35 0.16 0.06 112.91 113.60 1i7x h THR 214 Ca -0.00 0.00 0.05 0.00 -0.55 0.00 0.00 66.41 65.91 1i7x h THR 214 Cb 0.69 0.49 -0.05 0.00 -1.73 0.00 0.00 68.15 67.55 1i7x h THR 214 CO 0.01 0.00 0.50 0.00 -0.25 0.00 0.00 175.52 175.78 1i7x h ALA 215 N 0.24 1.59 -0.58 6.62 0.00 -1.31 -1.20 119.26 124.61 1i7x h ALA 215 Ca 0.01 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 1i7x h ALA 215 Cb 0.46 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1i7x h ALA 215 CO -0.08 0.31 -0.02 0.78 0.00 0.00 0.00 179.25 180.24 1i7x h GLY 216 N 0.89 1.11 0.77 0.00 0.00 -0.75 0.28 103.07 105.37 1i7x h GLY 216 Ca 0.32 -0.82 0.01 0.00 0.00 0.00 0.00 47.33 46.83 1i7x h GLY 216 CO -0.10 0.76 -0.15 -0.84 0.00 0.00 0.00 176.54 176.20 1i7x h THR 217 N 0.94 0.65 -0.64 4.70 2.02 0.17 -0.22 112.91 120.53 1i7x h THR 217 Ca 0.16 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.38 1i7x h THR 217 Cb 0.57 0.65 -0.05 0.00 -1.74 0.00 0.00 68.15 67.58 1i7x h THR 217 CO 0.03 0.00 0.37 -0.07 0.37 0.00 0.00 175.52 176.23 1i7x h LEU 218 N -0.32 0.59 -0.49 2.58 3.38 -1.27 -0.20 115.31 119.59 1i7x h LEU 218 Ca 0.01 0.01 0.10 0.00 0.09 0.00 0.00 57.88 58.09 1i7x h LEU 218 Cb 0.32 -0.11 -0.09 0.00 0.09 0.00 0.00 40.66 40.87 1i7x h LEU 218 CO -0.06 0.40 -0.12 -0.74 0.09 0.00 0.00 178.44 178.01 1i7x h HIS 219 N 0.72 -0.25 -0.44 1.13 2.76 -0.15 0.46 115.15 119.38 1i7x h HIS 219 Ca 0.27 0.04 -0.04 0.00 -2.20 0.00 0.00 60.37 58.44 1i7x h HIS 219 Cb 0.09 0.19 -0.02 0.00 1.55 0.00 0.00 27.41 29.22 1i7x h HIS 219 CO -0.06 -0.21 0.12 -0.91 -1.30 0.00 0.00 177.93 175.56 1i7x h ASN 220 N 0.00 0.66 -0.56 3.26 2.35 0.04 -2.24 115.58 119.08 1i7x h ASN 220 Ca 0.24 -0.22 -0.02 0.00 -0.55 0.00 0.00 56.30 55.74 1i7x h ASN 220 Cb 0.36 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.53 1i7x h ASN 220 CO -0.50 0.71 0.29 -0.07 -1.65 0.00 0.00 177.43 176.21 1i7x h LEU 221 N 0.57 0.74 -0.30 1.61 3.38 -0.40 -2.57 115.31 118.35 1i7x h LEU 221 Ca 0.14 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1i7x h LEU 221 Cb 0.30 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1i7x h LEU 221 CO -0.00 0.63 0.38 -0.24 0.09 0.00 0.00 178.44 179.29 1i7x n SER 222 N -4.37 0.12 -0.90 -0.43 2.88 0.16 -1.29 113.62 109.79 1i7x n SER 222 Ca 0.05 0.33 0.11 0.00 -1.33 0.00 0.00 58.87 58.03 1i7x n SER 222 Cb 0.12 -0.27 0.28 0.00 -0.75 0.00 0.00 64.21 63.59 1i7x n SER 222 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 1i7x n HIS 223 N -1.59 0.41 -4.81 0.66 8.25 -0.97 -4.67 115.22 112.51 1i7x n HIS 223 Ca -0.00 -0.21 -0.25 0.00 -0.26 0.00 0.00 57.72 57.01 1i7x n HIS 223 Cb 0.39 0.00 -0.15 0.00 1.12 0.00 0.00 29.99 31.34 1i7x n HIS 223 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 1i7x s HIS 224 N -1.59 1.55 0.27 4.41 3.76 -0.42 -5.02 115.29 118.25 1i7x s HIS 224 Ca 0.36 -0.32 -0.01 0.00 -0.15 0.00 0.00 55.06 54.93 1i7x s HIS 224 Cb 0.20 -1.01 0.51 0.00 1.11 0.00 0.00 32.58 33.39 1i7x s HIS 224 CO 0.28 -0.05 1.80 -0.09 -0.85 0.00 0.00 174.74 175.83 1i7x h ARG 225 N 5.83 0.77 -0.98 1.40 2.43 -1.90 0.34 114.38 122.27 1i7x h ARG 225 Ca -0.36 -0.05 0.06 0.00 -0.81 0.00 0.00 59.98 58.83 1i7x h ARG 225 Cb 1.16 -0.17 -0.07 0.00 -0.42 0.00 0.00 29.97 30.47 1i7x h ARG 225 CO 0.48 0.51 0.63 0.93 -1.51 0.00 0.00 179.97 181.02 1i7x h GLU 226 N 0.80 1.13 -0.15 0.20 3.07 -1.95 -2.43 114.58 115.24 1i7x h GLU 226 Ca 0.46 -0.07 -0.15 0.00 -0.50 0.00 0.00 59.36 59.10 1i7x h GLU 226 Cb 0.53 -0.25 0.00 0.00 -0.84 0.00 0.00 28.75 28.19 1i7x h GLU 226 CO -0.30 0.75 -0.49 0.78 -1.40 0.00 0.00 179.01 178.35 1i7x h GLY 227 N 1.16 0.67 0.54 -3.84 0.00 -0.65 -2.35 103.07 98.60 1i7x h GLY 227 Ca 0.42 -0.87 0.08 0.00 0.00 0.00 0.00 47.33 46.96 1i7x h GLY 227 CO -0.17 0.78 0.36 1.41 0.00 0.00 0.00 176.54 178.93 1i7x h LEU 228 N 0.26 0.50 -0.63 3.11 3.38 -0.50 0.28 115.31 121.71 1i7x h LEU 228 Ca -0.02 0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.91 1i7x h LEU 228 Cb 1.12 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 1i7x h LEU 228 CO 0.10 0.30 0.00 0.25 0.09 0.00 0.00 178.44 179.18 1i7x h LEU 229 N 0.64 1.05 0.06 1.67 5.85 -1.45 -1.21 115.31 121.92 1i7x h LEU 229 Ca 0.34 -0.30 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 1i7x h LEU 229 Cb 0.31 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.06 1i7x h LEU 229 CO -0.24 1.10 -0.03 0.00 -0.34 0.00 0.00 178.44 178.93 1i7x h ALA 230 N 1.01 -0.08 -0.55 1.25 0.00 -0.66 0.16 119.26 120.39 1i7x h ALA 230 Ca 0.17 -0.07 0.08 0.00 0.00 0.00 0.00 54.91 55.09 1i7x h ALA 230 Cb 0.56 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.31 1i7x h ALA 230 CO 0.03 -0.48 0.19 0.82 0.00 0.00 0.00 179.25 179.80 1i7x h ILE 231 N -0.20 0.79 0.32 0.00 2.04 -0.37 -0.82 117.51 119.26 1i7x h ILE 231 Ca -0.01 -0.12 -0.01 0.00 1.00 0.00 0.00 64.86 65.72 1i7x h ILE 231 Cb 0.17 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 36.64 1i7x h ILE 231 CO 0.01 0.07 -0.21 0.15 0.00 0.00 0.00 178.15 178.17 1i7x h PHE 232 N 0.36 -0.55 -0.06 1.37 3.57 -0.76 -1.74 116.94 119.14 1i7x h PHE 232 Ca 0.27 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.75 1i7x h PHE 232 Cb 0.32 0.20 -0.00 0.00 2.79 0.00 0.00 35.95 39.25 1i7x h PHE 232 CO -0.17 -0.32 -0.03 0.87 -2.23 0.00 0.00 178.31 176.42 1i7x h LYS 233 N -0.51 0.08 0.00 1.11 1.57 -0.28 -2.22 116.57 116.31 1i7x h LYS 233 Ca -0.03 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1i7x h LYS 233 Cb 0.43 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.73 1i7x h LYS 233 CO 0.02 0.12 0.00 0.43 -0.57 0.00 0.00 179.45 179.45 1i7x n SER 234 N -4.45 0.00 -1.44 0.86 7.64 -0.35 -4.86 113.62 111.02 1i7x n SER 234 Ca -0.02 -1.37 -0.11 0.00 1.01 0.00 0.00 58.87 58.38 1i7x n SER 234 Cb 0.14 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.35 1i7x n SER 234 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1i7x n GLY 235 N 0.68 0.03 0.17 0.23 0.00 -0.83 -4.80 105.19 100.66 1i7x n GLY 235 Ca 0.12 -0.38 -0.08 0.00 0.00 0.00 0.00 46.02 45.68 1i7x n GLY 235 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1i7x h GLY 236 N -0.41 0.37 0.12 -0.02 0.00 -1.50 -3.31 103.07 98.32 1i7x h GLY 236 Ca -0.26 -0.52 0.08 0.00 0.00 0.00 0.00 47.33 46.64 1i7x h GLY 236 CO 0.28 0.46 -0.17 -2.22 0.00 0.00 0.00 176.54 174.90 1i7x h ILE 237 N 0.23 0.48 -0.30 2.60 2.04 -1.87 0.71 117.51 121.41 1i7x h ILE 237 Ca -0.02 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.77 1i7x h ILE 237 Cb 1.27 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 37.81 1i7x h ILE 237 CO 0.12 0.00 -0.10 1.55 0.00 0.00 0.00 178.15 179.71 1i7x h PRO 238 N -0.10 0.49 -0.48 2.37 0.13 -1.91 0.64 132.00 133.14 1i7x h PRO 238 Ca 0.18 -0.13 -0.08 0.00 -0.87 0.00 0.00 66.00 65.10 1i7x h PRO 238 Cb 0.38 -0.06 -0.02 0.00 0.13 0.00 0.00 31.00 31.44 1i7x h PRO 238 CO -0.43 0.60 -0.03 0.00 -0.23 0.00 0.00 178.00 177.91 1i7x h ALA 239 N 1.44 1.05 -0.29 -0.56 0.00 -1.23 -1.06 119.26 118.59 1i7x h ALA 239 Ca 0.09 -0.28 -0.16 0.00 0.00 0.00 0.00 54.91 54.55 1i7x h ALA 239 Cb 0.46 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1i7x h ALA 239 CO 0.03 0.59 -0.46 -0.07 0.00 0.00 0.00 179.25 179.33 1i7x h LEU 240 N 0.76 0.84 -0.09 0.00 3.38 0.87 -2.34 115.31 118.73 1i7x h LEU 240 Ca 0.14 -0.41 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 1i7x h LEU 240 Cb 0.50 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 1i7x h LEU 240 CO 0.03 1.17 0.04 0.58 0.09 0.00 0.00 178.44 180.34 1i7x h VAL 241 N 0.62 1.14 -0.84 1.22 2.07 -0.62 -2.25 116.25 117.59 1i7x h VAL 241 Ca 0.04 -0.42 0.17 0.00 0.82 0.00 0.00 66.70 67.31 1i7x h VAL 241 Cb 1.03 1.26 -0.11 0.00 -1.52 0.00 0.00 31.29 31.96 1i7x h VAL 241 CO 0.10 0.12 0.38 0.50 0.02 0.00 0.00 177.57 178.70 1i7x h LYS 242 N -0.01 0.47 -0.03 1.57 3.64 -1.11 0.37 116.57 121.48 1i7x h LYS 242 Ca 0.03 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1i7x h LYS 242 Cb 0.17 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 31.88 1i7x h LYS 242 CO -0.00 0.31 0.04 0.52 -2.27 0.00 0.00 179.45 178.05 1i7x h MET 243 N 0.49 0.00 0.00 1.90 2.86 -0.85 -0.42 114.93 118.90 1i7x h MET 243 Ca 0.49 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.13 1i7x h MET 243 Cb 0.81 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.47 1i7x h MET 243 CO -0.44 0.00 0.00 1.28 1.06 0.00 0.00 176.91 178.81 1i7x n LEU 244 N -3.55 0.00 0.00 1.22 4.77 0.13 -0.35 117.00 119.22 1i7x n LEU 244 Ca -0.02 0.21 0.11 0.00 -0.03 0.00 0.00 56.01 56.28 1i7x n LEU 244 Cb 0.13 -0.21 -0.11 0.00 -2.33 0.00 0.00 43.42 40.89 1i7x n LEU 244 CO 0.24 -0.17 -0.26 0.61 -1.33 0.00 0.00 177.39 176.48 1i7x n GLY 245 N -0.69 -1.03 3.68 -0.72 0.00 -0.17 -4.96 105.19 101.30 1i7x n GLY 245 Ca 0.04 -0.54 -0.43 0.00 0.00 0.00 0.00 46.02 45.08 1i7x n GLY 245 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1i7x n SER 246 N -1.81 2.55 0.16 1.61 2.88 0.52 -4.89 113.62 114.65 1i7x n SER 246 Ca 0.01 1.20 0.06 0.00 -1.33 0.00 0.00 58.87 58.80 1i7x n SER 246 Cb 0.42 -1.45 0.07 0.00 -0.75 0.00 0.00 64.21 62.50 1i7x n SER 246 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1i7x h PRO 247 N 2.70 0.00 -6.23 -1.46 0.11 -1.94 -3.45 132.00 121.73 1i7x h PRO 247 Ca -0.45 0.00 -0.57 0.00 0.11 0.00 0.00 66.00 65.09 1i7x h PRO 247 Cb 1.29 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.38 1i7x h PRO 247 CO 0.64 0.33 1.27 0.08 -0.21 0.00 0.00 178.00 180.11 1i7x s VAL 248 N -3.04 3.41 0.23 3.15 1.01 -1.26 -4.92 120.40 118.98 1i7x s VAL 248 Ca 0.05 0.44 -0.06 0.00 0.00 0.00 0.00 61.98 62.42 1i7x s VAL 248 Cb 0.07 -3.48 0.20 0.00 0.00 0.00 0.00 36.38 33.16 1i7x s VAL 248 CO 0.72 -0.26 1.73 0.44 0.00 0.00 0.00 175.10 177.73 1i7x h ASP 249 N 12.45 0.24 -0.90 3.32 3.32 -2.00 -1.81 116.42 131.03 1i7x h ASP 249 Ca -0.36 0.10 0.06 0.00 0.02 0.00 0.00 57.03 56.85 1i7x h ASP 249 Cb 1.18 0.09 -0.06 0.00 0.22 0.00 0.00 39.33 40.76 1i7x h ASP 249 CO 1.00 0.10 0.59 0.77 -1.72 0.00 0.00 179.24 179.98 1i7x h SER 250 N 0.42 0.90 -0.48 6.45 4.64 -1.98 -1.45 113.55 122.05 1i7x h SER 250 Ca 0.38 0.01 -0.08 0.00 -0.47 0.00 0.00 61.79 61.63 1i7x h SER 250 Cb 0.56 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 62.45 1i7x h SER 250 CO -0.39 0.58 -0.03 0.58 -0.87 0.00 0.00 176.83 176.70 1i7x h VAL 251 N 1.02 1.27 -0.18 0.95 2.07 -1.70 -1.60 116.25 118.08 1i7x h VAL 251 Ca 0.39 -1.11 -0.00 0.00 0.82 0.00 0.00 66.70 66.79 1i7x h VAL 251 Cb 0.20 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 1i7x h VAL 251 CO -0.14 0.39 0.10 -0.07 0.02 0.00 0.00 177.57 177.86 1i7x h LEU 252 N 0.71 0.22 0.31 2.57 3.38 -0.92 0.18 115.31 121.77 1i7x h LEU 252 Ca 0.13 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1i7x h LEU 252 Cb 0.55 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 1i7x h LEU 252 CO 0.03 0.23 -0.22 0.15 0.09 0.00 0.00 178.44 178.72 1i7x h PHE 253 N 0.20 -0.58 0.03 1.13 3.57 -1.20 0.12 116.94 120.21 1i7x h PHE 253 Ca 0.06 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.58 1i7x h PHE 253 Cb 0.05 0.21 -0.05 0.00 2.79 0.00 0.00 35.95 38.95 1i7x h PHE 253 CO -0.04 -0.34 -0.48 1.88 -2.23 0.00 0.00 178.31 177.10 1i7x h TYR 254 N -0.53 -1.39 0.04 0.41 0.99 -1.14 -0.01 116.97 115.33 1i7x h TYR 254 Ca -0.03 0.04 0.01 0.00 2.00 0.00 0.00 58.73 60.76 1i7x h TYR 254 Cb 0.45 0.60 -0.04 0.00 1.00 0.00 0.00 36.73 38.75 1i7x h TYR 254 CO -0.11 -0.55 -0.40 0.00 -0.00 0.00 0.00 178.16 177.10 1i7x h ALA 255 N -0.27 -0.86 -0.70 3.88 0.00 -0.44 -0.39 119.26 120.48 1i7x h ALA 255 Ca 0.02 -0.07 0.08 0.00 0.00 0.00 0.00 54.91 54.94 1i7x h ALA 255 Cb 0.70 0.82 -0.06 0.00 0.00 0.00 0.00 17.79 19.25 1i7x h ALA 255 CO -0.32 -0.97 0.37 0.97 0.00 0.00 0.00 179.25 179.30 1i7x h ILE 256 N -0.53 0.91 -0.45 0.00 6.09 -0.69 -0.90 117.51 121.94 1i7x h ILE 256 Ca 0.00 -0.23 0.03 0.00 -1.37 0.00 0.00 64.86 63.29 1i7x h ILE 256 Cb 0.55 0.19 -0.03 0.00 0.47 0.00 0.00 36.82 38.00 1i7x h ILE 256 CO -0.24 0.12 0.25 0.74 -3.07 0.00 0.00 178.15 175.95 1i7x h THR 257 N 0.66 1.02 0.54 2.19 2.02 -0.61 -0.70 112.91 118.03 1i7x h THR 257 Ca 0.33 -0.18 -0.03 0.00 0.77 0.00 0.00 66.41 67.31 1i7x h THR 257 Cb 0.29 0.47 0.00 0.00 -1.74 0.00 0.00 68.15 67.17 1i7x h THR 257 CO -0.23 0.09 -0.27 0.74 0.37 0.00 0.00 175.52 176.22 1i7x h THR 258 N 0.51 0.44 -0.98 3.16 2.02 -0.44 -0.94 112.91 116.68 1i7x h THR 258 Ca 0.18 0.00 0.19 0.00 0.77 0.00 0.00 66.41 67.56 1i7x h THR 258 Cb 0.04 0.44 -0.09 0.00 -1.74 0.00 0.00 68.15 66.80 1i7x h THR 258 CO -0.10 0.00 0.61 -0.07 0.37 0.00 0.00 175.52 176.34 1i7x h LEU 259 N -0.75 0.66 -0.40 2.58 3.38 -0.97 0.11 115.31 119.92 1i7x h LEU 259 Ca -0.07 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1i7x h LEU 259 Cb 0.58 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 1i7x h LEU 259 CO 0.11 0.24 0.19 -0.74 0.09 0.00 0.00 178.44 178.33 1i7x h HIS 260 N 0.65 0.59 -0.77 1.13 2.76 -0.49 0.84 115.15 119.85 1i7x h HIS 260 Ca 0.54 -0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 58.64 1i7x h HIS 260 Cb 1.00 -0.18 -0.03 0.00 1.55 0.00 0.00 27.41 29.74 1i7x h HIS 260 CO -0.00 0.49 0.31 -0.91 -1.30 0.00 0.00 177.93 176.52 1i7x h ASN 261 N 0.51 1.07 0.26 3.26 2.35 0.43 -0.93 115.58 122.53 1i7x h ASN 261 Ca 0.14 -0.17 -0.01 0.00 -0.55 0.00 0.00 56.30 55.70 1i7x h ASN 261 Cb 0.13 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.23 1i7x h ASN 261 CO -0.02 0.95 -0.12 -0.07 -1.65 0.00 0.00 177.43 176.52 1i7x h LEU 262 N 1.12 -0.29 -1.98 1.61 3.38 -0.36 -1.01 115.31 117.78 1i7x h LEU 262 Ca 0.26 -0.14 0.19 0.00 0.09 0.00 0.00 57.88 58.28 1i7x h LEU 262 Cb 0.22 0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 1i7x h LEU 262 CO -0.02 -0.03 0.48 -0.07 0.09 0.00 0.00 178.44 178.90 1i7x h LEU 263 N -0.56 0.02 0.00 1.67 3.38 0.94 -0.25 115.31 120.50 1i7x h LEU 263 Ca -0.04 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.70 1i7x h LEU 263 Cb 0.41 -0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.12 1i7x h LEU 263 CO 0.06 0.01 -1.41 -0.07 0.09 0.00 0.00 178.44 177.12 1i7x h LEU 264 N 0.02 0.00 -0.31 1.67 3.38 -0.90 -3.43 115.31 115.74 1i7x h LEU 264 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.29 1i7x h LEU 264 Cb 1.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.01 1i7x h LEU 264 CO -0.01 0.87 0.00 1.41 0.09 0.00 0.00 178.44 180.80 1i7x n HIS 265 N -3.09 0.00 -3.92 1.13 8.25 -0.41 -5.03 115.22 112.15 1i7x n HIS 265 Ca -0.10 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.01 1i7x n HIS 265 Cb 0.96 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.93 1i7x n HIS 265 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 1i7x s GLN 266 N -0.11 3.29 0.06 -0.41 2.00 -0.16 -5.04 119.66 119.29 1i7x s GLN 266 Ca 0.00 -0.68 -0.31 0.00 -2.00 0.00 0.00 55.36 52.37 1i7x s GLN 266 Cb 0.00 -3.00 -0.08 0.00 0.80 0.00 0.00 33.01 30.73 1i7x s GLN 266 CO 0.00 -0.23 1.69 -2.00 -0.50 0.00 0.00 175.29 174.25 1i7x s GLU 267 N 1.45 4.19 0.00 1.67 2.12 -1.26 -2.25 118.70 124.62 1i7x s GLU 267 Ca 0.05 2.36 0.00 0.00 0.36 0.00 0.00 54.97 57.74 1i7x s GLU 267 Cb -0.15 -3.69 0.00 0.00 0.26 0.00 0.00 34.13 30.56 1i7x s GLU 267 CO -0.04 -0.77 0.00 0.41 -0.54 0.00 0.00 175.26 174.32 1i7x n GLY 268 N 4.07 2.11 0.27 -1.50 0.00 -1.26 -4.98 105.19 103.90 1i7x n GLY 268 Ca 0.16 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.11 1i7x n GLY 268 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i7x h ALA 269 N 0.00 -0.07 -0.34 4.61 0.00 -1.75 -0.19 119.26 121.53 1i7x h ALA 269 Ca 0.00 0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.08 1i7x h ALA 269 Cb 0.00 0.50 -0.08 0.00 0.00 0.00 0.00 17.79 18.21 1i7x h ALA 269 CO 0.00 -0.64 -0.27 0.87 0.00 0.00 0.00 179.25 179.21 1i7x h LYS 270 N -0.21 -0.22 -0.69 0.00 1.57 -1.87 0.35 116.57 115.51 1i7x h LYS 270 Ca 0.15 0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.89 1i7x h LYS 270 Cb 0.45 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.78 1i7x h LYS 270 CO -0.42 -0.15 0.18 1.98 -0.57 0.00 0.00 179.45 180.48 1i7x h MET 271 N -0.23 1.09 -0.08 3.15 4.05 -1.88 -0.48 114.93 120.54 1i7x h MET 271 Ca 0.17 -0.25 -0.01 0.00 -0.28 0.00 0.00 59.70 59.33 1i7x h MET 271 Cb 0.49 -0.15 -0.00 0.00 -0.80 0.00 0.00 31.60 31.14 1i7x h MET 271 CO -0.47 0.96 0.02 0.00 0.23 0.00 0.00 176.91 177.65 1i7x h ALA 272 N 1.08 0.11 -0.47 0.39 0.00 -0.15 0.22 119.26 120.43 1i7x h ALA 272 Ca 0.22 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1i7x h ALA 272 Cb 0.35 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1i7x h ALA 272 CO -0.00 -0.27 0.30 0.28 0.00 0.00 0.00 179.25 179.56 1i7x h VAL 273 N -0.07 1.13 0.43 0.00 2.07 -0.28 0.16 116.25 119.69 1i7x h VAL 273 Ca 0.03 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 1i7x h VAL 273 Cb 0.23 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 1i7x h VAL 273 CO -0.00 0.13 -0.30 -0.09 0.02 0.00 0.00 177.57 177.32 1i7x h ARG 274 N 0.64 -0.69 0.00 1.57 2.43 -0.93 -1.51 114.38 115.89 1i7x h ARG 274 Ca 0.17 0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.39 1i7x h ARG 274 Cb -0.05 0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 29.65 1i7x h ARG 274 CO -0.04 -0.46 -0.01 -0.07 -1.51 0.00 0.00 179.97 177.89 1i7x h LEU 275 N -0.71 0.00 -0.20 3.80 3.38 -0.22 -1.58 115.31 119.77 1i7x h LEU 275 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1i7x h LEU 275 Cb 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1i7x h LEU 275 CO 0.02 0.01 -0.04 0.00 0.09 0.00 0.00 178.44 178.51 1i7x n ALA 276 N -2.30 2.67 -0.86 1.53 0.00 0.54 -4.90 120.51 117.18 1i7x n ALA 276 Ca -0.03 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.17 1i7x n ALA 276 Cb 0.09 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.14 1i7x n ALA 276 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i7x n GLY 277 N 1.18 0.53 0.17 0.00 0.00 -0.59 -4.95 105.19 101.53 1i7x n GLY 277 Ca 0.18 -0.85 -0.08 0.00 0.00 0.00 0.00 46.02 45.26 1i7x n GLY 277 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1i7x h GLY 278 N 0.00 0.53 -0.58 -0.02 0.00 -1.46 -2.99 103.07 98.54 1i7x h GLY 278 Ca 0.00 -0.20 0.12 0.00 0.00 0.00 0.00 47.33 47.25 1i7x h GLY 278 CO 0.00 0.20 -0.34 1.41 0.00 0.00 0.00 176.54 177.80 1i7x h LEU 279 N 0.51 -1.21 -0.41 3.11 3.38 -1.85 0.50 115.31 119.34 1i7x h LEU 279 Ca 0.14 0.25 0.00 0.00 0.09 0.00 0.00 57.88 58.36 1i7x h LEU 279 Cb -0.05 0.62 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 1i7x h LEU 279 CO -0.03 -0.30 0.27 1.56 0.09 0.00 0.00 178.44 180.03 1i7x h GLN 280 N -0.11 0.54 -0.29 1.13 7.50 -1.90 0.10 115.11 122.09 1i7x h GLN 280 Ca 0.27 -0.03 0.02 0.00 0.50 0.00 0.00 58.65 59.41 1i7x h GLN 280 Cb 0.56 -0.12 -0.03 0.00 0.05 0.00 0.00 27.48 27.95 1i7x h GLN 280 CO -0.77 0.36 0.13 0.87 -1.50 0.00 0.00 178.83 177.92 1i7x h LYS 281 N 0.56 0.27 -0.43 1.46 1.79 -0.61 -0.95 116.57 118.65 1i7x h LYS 281 Ca 0.15 -0.02 -0.06 0.00 -2.18 0.00 0.00 60.65 58.55 1i7x h LYS 281 Cb -0.06 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 30.51 1i7x h LYS 281 CO -0.03 0.18 0.04 0.52 -1.08 0.00 0.00 179.45 179.08 1i7x h MET 282 N 0.28 0.73 -0.66 3.15 2.86 0.18 -2.69 114.93 118.78 1i7x h MET 282 Ca 0.12 -0.21 -0.00 0.00 -2.06 0.00 0.00 59.70 57.54 1i7x h MET 282 Cb 0.05 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.60 1i7x h MET 282 CO -0.09 0.78 0.39 0.28 1.06 0.00 0.00 176.91 179.33 1i7x h VAL 283 N 0.58 1.19 -0.65 -2.22 2.07 -0.64 -1.60 116.25 114.99 1i7x h VAL 283 Ca 0.13 -0.43 0.19 0.00 0.82 0.00 0.00 66.70 67.40 1i7x h VAL 283 Cb 0.42 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 1i7x h VAL 283 CO 0.01 0.20 0.50 0.00 0.02 0.00 0.00 177.57 178.31 1i7x h ALA 284 N 1.20 2.55 -0.00 1.67 0.00 -0.87 0.78 119.26 124.58 1i7x h ALA 284 Ca 0.24 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1i7x h ALA 284 Cb -0.02 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1i7x h ALA 284 CO -0.04 -0.84 -0.07 1.28 0.00 0.00 0.00 179.25 179.58 1i7x n LEU 285 N -4.17 0.32 0.00 0.00 4.77 -0.60 -4.07 117.00 113.25 1i7x n LEU 285 Ca 0.13 0.07 0.01 0.00 -0.03 0.00 0.00 56.01 56.19 1i7x n LEU 285 Cb 0.75 -0.19 0.07 0.00 -2.33 0.00 0.00 43.42 41.73 1i7x n LEU 285 CO 0.35 0.06 0.50 0.18 -1.33 0.00 0.00 177.39 177.15 1i7x n LEU 286 N -1.02 0.00 -0.23 2.23 4.77 0.27 -1.00 117.00 122.02 1i7x n LEU 286 Ca 0.15 0.39 0.14 0.00 -0.03 0.00 0.00 56.01 56.66 1i7x n LEU 286 Cb 0.25 -0.39 0.49 0.00 -2.33 0.00 0.00 43.42 41.44 1i7x n LEU 286 CO 0.23 -0.35 0.77 -0.46 -1.33 0.00 0.00 177.39 176.25 1i7x n ASN 287 N -1.39 0.88 -4.76 -1.43 0.23 -1.26 -4.89 115.26 102.64 1i7x n ASN 287 Ca 0.01 -0.87 -0.30 0.00 -0.53 0.00 0.00 54.58 52.89 1i7x n ASN 287 Cb 0.03 0.04 0.11 0.00 -2.08 0.00 0.00 39.78 37.88 1i7x n ASN 287 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 1i7x s LYS 288 N -2.41 1.78 -0.00 -3.83 -0.14 -0.17 -5.00 119.74 109.97 1i7x s LYS 288 Ca 0.28 0.85 0.09 0.00 -1.36 0.00 0.00 55.97 55.83 1i7x s LYS 288 Cb 0.20 -1.87 -0.11 0.00 -1.68 0.00 0.00 37.83 34.37 1i7x s LYS 288 CO 0.48 -1.88 0.33 0.25 -0.76 0.00 0.00 175.35 173.76 1i7x n THR 289 N -3.64 0.00 -1.84 2.17 -2.24 -1.26 -4.94 114.28 102.53 1i7x n THR 289 Ca 0.07 -0.27 -0.43 0.00 -2.27 0.00 0.00 64.05 61.16 1i7x n THR 289 Cb 0.55 0.79 -0.03 0.00 -2.10 0.00 0.00 70.33 69.55 1i7x n THR 289 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1i7x s ASN 290 N -2.21 5.85 0.24 3.42 3.84 -1.26 -4.85 114.94 119.97 1i7x s ASN 290 Ca 0.01 1.70 -0.06 0.00 0.21 0.00 0.00 52.86 54.73 1i7x s ASN 290 Cb 0.07 -2.52 0.31 0.00 -0.55 0.00 0.00 41.25 38.56 1i7x s ASN 290 CO 0.38 -1.67 1.87 -0.37 -2.79 0.00 0.00 177.10 174.52 1i7x h VAL 291 N 6.73 1.10 -0.28 -5.21 -1.51 -1.99 0.87 116.25 115.96 1i7x h VAL 291 Ca -0.38 -0.37 -0.03 0.00 -1.23 0.00 0.00 66.70 64.70 1i7x h VAL 291 Cb 1.20 -0.06 -0.01 0.00 -2.13 0.00 0.00 31.29 30.28 1i7x h VAL 291 CO 0.99 0.20 0.07 0.11 -1.23 0.00 0.00 177.57 177.70 1i7x h LYS 292 N 1.07 0.45 -0.88 5.19 1.57 -1.99 0.12 116.57 122.10 1i7x h LYS 292 Ca 0.37 -0.11 0.01 0.00 -1.87 0.00 0.00 60.65 59.05 1i7x h LYS 292 Cb 0.08 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.29 1i7x h LYS 292 CO -0.14 0.54 0.58 0.35 -0.57 0.00 0.00 179.45 180.21 1i7x h PHE 293 N 0.29 1.11 -0.29 -1.35 3.57 -1.84 -2.31 116.94 116.12 1i7x h PHE 293 Ca 0.09 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.58 1i7x h PHE 293 Cb 0.29 -0.37 -0.01 0.00 2.79 0.00 0.00 35.95 38.65 1i7x h PHE 293 CO 0.01 0.69 0.03 -0.07 -2.23 0.00 0.00 178.31 176.75 1i7x h LEU 294 N 1.19 0.48 -0.73 0.59 3.38 -0.52 -1.51 115.31 118.19 1i7x h LEU 294 Ca 0.33 -0.28 0.16 0.00 0.09 0.00 0.00 57.88 58.18 1i7x h LEU 294 Cb -0.13 -0.13 -0.11 0.00 0.09 0.00 0.00 40.66 40.38 1i7x h LEU 294 CO -0.07 0.64 0.14 0.00 0.09 0.00 0.00 178.44 179.23 1i7x h ALA 295 N 0.86 0.90 0.15 1.53 0.00 -0.36 0.56 119.26 122.91 1i7x h ALA 295 Ca 0.09 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 1i7x h ALA 295 Cb 0.37 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1i7x h ALA 295 CO 0.01 -0.36 -0.07 0.82 0.00 0.00 0.00 179.25 179.64 1i7x h ILE 296 N 0.23 0.99 -1.01 0.00 2.04 -1.27 -1.90 117.51 116.58 1i7x h ILE 296 Ca 0.41 -0.81 0.09 0.00 1.00 0.00 0.00 64.86 65.55 1i7x h ILE 296 Cb 0.70 1.47 -0.08 0.00 -0.74 0.00 0.00 36.82 38.18 1i7x h ILE 296 CO -0.53 0.18 0.64 0.74 0.00 0.00 0.00 178.15 179.18 1i7x h THR 297 N -0.61 1.00 -0.03 -0.27 2.02 -0.19 -0.03 112.91 114.79 1i7x h THR 297 Ca -0.02 -0.37 -0.16 0.00 0.77 0.00 0.00 66.41 66.62 1i7x h THR 297 Cb 0.46 -0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 66.67 1i7x h THR 297 CO 0.03 0.20 -0.71 0.71 0.37 0.00 0.00 175.52 176.12 1i7x h THR 298 N 1.09 1.44 0.00 3.16 1.35 0.07 -2.76 112.91 117.27 1i7x h THR 298 Ca 0.47 -2.27 -0.08 0.00 -0.55 0.00 0.00 66.41 63.99 1i7x h THR 298 Cb 0.33 2.21 -0.01 0.00 -1.73 0.00 0.00 68.15 68.95 1i7x h THR 298 CO -0.22 0.66 -0.36 -0.78 -0.25 0.00 0.00 175.52 174.57 1i7x h ASP 299 N 0.12 0.00 -0.47 5.36 3.58 -0.36 -1.97 116.42 122.68 1i7x h ASP 299 Ca -0.02 0.00 -0.09 0.00 0.42 0.00 0.00 57.03 57.34 1i7x h ASP 299 Cb 1.26 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.30 1i7x h ASP 299 CO 0.11 0.36 -0.07 0.00 -2.88 0.00 0.00 179.24 176.75 1i7x h LEU 301 N 0.73 1.02 -0.05 0.00 3.38 -1.17 -1.55 115.31 117.67 1i7x h LEU 301 Ca 0.12 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1i7x h LEU 301 Cb 0.61 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 1i7x h LEU 301 CO 0.04 0.91 0.03 -0.61 0.09 0.00 0.00 178.44 178.91 1i7x h GLN 302 N 1.07 0.07 -0.84 1.13 -0.00 -1.13 0.30 115.11 115.72 1i7x h GLN 302 Ca 0.25 -0.01 0.04 0.00 -0.00 0.00 0.00 58.65 58.93 1i7x h GLN 302 Cb 0.22 -0.02 -0.05 0.00 0.00 0.00 0.00 27.48 27.64 1i7x h GLN 302 CO -0.02 0.07 0.55 0.82 0.00 0.00 0.00 178.83 180.26 1i7x h ILE 303 N 0.05 1.11 0.16 2.39 2.04 -1.00 -1.12 117.51 121.14 1i7x h ILE 303 Ca 0.02 -0.35 -0.30 0.00 1.00 0.00 0.00 64.86 65.24 1i7x h ILE 303 Cb 0.02 0.01 0.01 0.00 -0.74 0.00 0.00 36.82 36.12 1i7x h ILE 303 CO -0.00 0.18 -1.36 -0.07 0.00 0.00 0.00 178.15 176.90 1i7x h LEU 304 N 1.01 0.52 -0.36 1.44 3.38 -0.99 -3.34 115.31 116.98 1i7x h LEU 304 Ca 0.34 -0.59 -0.07 0.00 0.09 0.00 0.00 57.88 57.65 1i7x h LEU 304 Cb 0.09 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1i7x h LEU 304 CO -0.11 1.46 -0.35 0.00 0.09 0.00 0.00 178.44 179.54 1i7x h ALA 305 N 0.46 0.83 -1.47 1.53 0.00 -0.08 -3.44 119.26 117.09 1i7x h ALA 305 Ca -0.18 -0.32 -0.72 0.00 0.00 0.00 0.00 54.91 53.69 1i7x h ALA 305 Cb 2.03 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 19.77 1i7x h ALA 305 CO 0.21 0.44 1.02 0.98 0.00 0.00 0.00 179.25 181.90 1i7x n TYR 306 N -3.27 1.99 -4.26 0.00 9.36 -0.45 -2.41 117.16 118.12 1i7x n TYR 306 Ca 0.02 0.45 -0.37 0.00 3.32 0.00 0.00 57.90 61.32 1i7x n TYR 306 Cb 0.61 -2.49 -0.03 0.00 -0.63 0.00 0.00 39.34 36.80 1i7x n TYR 306 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1i7x n GLY 307 N 4.71 -0.43 2.53 2.98 0.00 -1.26 -4.93 105.19 108.78 1i7x n GLY 307 Ca 0.29 0.13 -0.29 0.00 0.00 0.00 0.00 46.02 46.15 1i7x n GLY 307 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1i7x s ASN 308 N -3.35 3.23 0.19 1.61 3.84 -1.01 -5.05 114.94 114.39 1i7x s ASN 308 Ca 0.71 -2.05 -0.18 0.00 0.21 0.00 0.00 52.86 51.56 1i7x s ASN 308 Cb -0.39 -0.50 0.14 0.00 -0.55 0.00 0.00 41.25 39.95 1i7x s ASN 308 CO 0.94 -0.33 1.62 -0.61 -2.79 0.00 0.00 177.10 175.92 1i7x h GLN 309 N 7.30 -0.11 -0.51 0.43 5.75 -1.92 -2.16 115.11 123.89 1i7x h GLN 309 Ca -0.01 0.01 0.08 0.00 -0.15 0.00 0.00 58.65 58.58 1i7x h GLN 309 Cb 0.97 0.02 -0.07 0.00 1.07 0.00 0.00 27.48 29.48 1i7x h GLN 309 CO 0.34 -0.07 0.13 0.93 -2.65 0.00 0.00 178.83 177.50 1i7x h GLU 310 N -0.11 0.27 -0.03 1.69 3.07 -1.96 0.11 114.58 117.62 1i7x h GLU 310 Ca 0.23 -0.02 0.03 0.00 -0.50 0.00 0.00 59.36 59.11 1i7x h GLU 310 Cb 0.48 -0.06 -0.04 0.00 -0.84 0.00 0.00 28.75 28.29 1i7x h GLU 310 CO -0.58 0.18 -0.17 0.77 -1.40 0.00 0.00 179.01 177.81 1i7x h SER 311 N 0.28 -0.49 -0.97 1.42 0.02 -1.74 0.56 113.55 112.62 1i7x h SER 311 Ca 0.26 0.08 0.09 0.00 -0.84 0.00 0.00 61.79 61.38 1i7x h SER 311 Cb 0.33 0.21 -0.07 0.00 0.14 0.00 0.00 62.40 63.01 1i7x h SER 311 CO -0.31 -0.22 0.62 0.11 -1.14 0.00 0.00 176.83 175.89 1i7x h LYS 312 N -0.26 1.01 0.00 3.45 1.57 -0.80 0.78 116.57 122.32 1i7x h LYS 312 Ca 0.06 -0.06 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 1i7x h LYS 312 Cb 0.34 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 1i7x h LYS 312 CO -0.18 0.67 -0.33 -0.07 -0.57 0.00 0.00 179.45 178.97 1i7x h LEU 313 N 1.04 0.00 -0.01 2.94 3.38 0.49 -2.25 115.31 120.91 1i7x h LEU 313 Ca 0.45 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.33 1i7x h LEU 313 Cb 0.34 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.10 1i7x h LEU 313 CO -0.20 0.33 -0.33 0.40 0.09 0.00 0.00 178.44 178.73 1i7x h ILE 314 N 0.00 1.51 -0.89 1.22 2.04 0.85 -1.60 117.51 120.64 1i7x h ILE 314 Ca -0.00 -1.95 0.17 0.00 1.00 0.00 0.00 64.86 64.08 1i7x h ILE 314 Cb 0.59 2.68 -0.07 0.00 -0.74 0.00 0.00 36.82 39.29 1i7x h ILE 314 CO 0.04 0.54 0.58 0.40 0.00 0.00 0.00 178.15 179.71 1i7x h ILE 315 N -0.39 0.75 0.16 -0.67 2.04 -0.75 -0.36 117.51 118.30 1i7x h ILE 315 Ca -0.04 -0.19 -0.01 0.00 1.00 0.00 0.00 64.86 65.62 1i7x h ILE 315 Cb 1.06 0.16 0.00 0.00 -0.74 0.00 0.00 36.82 37.30 1i7x h ILE 315 CO 0.06 0.10 -0.08 0.25 0.00 0.00 0.00 178.15 178.49 1i7x h LEU 316 N 0.55 -0.18 -1.82 1.44 5.85 -1.35 0.26 115.31 120.05 1i7x h LEU 316 Ca 0.46 -0.36 0.00 0.00 0.84 0.00 0.00 57.88 58.82 1i7x h LEU 316 Cb 0.93 0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.01 1i7x h LEU 316 CO -0.20 0.35 0.21 0.00 -0.34 0.00 0.00 178.44 178.46 1i7x h ALA 317 N -0.20 1.19 -0.02 1.25 0.00 -0.55 0.56 119.26 121.49 1i7x h ALA 317 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1i7x h ALA 317 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1i7x h ALA 317 CO 0.04 -0.19 -0.12 0.43 0.00 0.00 0.00 179.25 179.40 1i7x n SER 318 N -2.62 2.03 0.00 0.00 7.64 -0.21 -4.94 113.62 115.51 1i7x n SER 318 Ca -0.02 -1.58 0.00 0.00 1.01 0.00 0.00 58.87 58.29 1i7x n SER 318 Cb 0.25 0.10 0.00 0.00 -1.01 0.00 0.00 64.21 63.56 1i7x n SER 318 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1i7x n GLY 319 N 1.30 0.58 0.35 0.23 0.00 0.20 -4.84 105.19 103.02 1i7x n GLY 319 Ca 0.14 -0.75 -0.14 0.00 0.00 0.00 0.00 46.02 45.27 1i7x n GLY 319 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1i7x h GLY 320 N 0.00 -0.71 -0.92 -0.02 0.00 -0.61 -2.97 103.07 97.85 1i7x h GLY 320 Ca 0.00 0.39 0.08 0.00 0.00 0.00 0.00 47.33 47.80 1i7x h GLY 320 CO 0.00 -0.27 -0.54 -1.05 0.00 0.00 0.00 176.54 174.68 1i7x n PRO 321 N -5.43 -0.40 0.08 4.80 -0.02 -1.26 -0.65 135.00 132.11 1i7x n PRO 321 Ca -0.08 1.45 -0.12 0.00 -2.02 0.00 0.00 63.50 62.73 1i7x n PRO 321 Cb 0.34 -2.13 -0.05 0.00 -0.02 0.00 0.00 33.50 31.64 1i7x n PRO 321 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1i7x h GLN 322 N 0.00 -0.30 -0.92 -0.52 5.75 -1.88 -1.11 115.11 116.13 1i7x h GLN 322 Ca 0.15 0.02 0.18 0.00 -0.15 0.00 0.00 58.65 58.84 1i7x h GLN 322 Cb 0.38 0.07 -0.10 0.00 1.07 0.00 0.00 27.48 28.89 1i7x h GLN 322 CO -0.86 -0.20 0.51 0.00 -2.65 0.00 0.00 178.83 175.63 1i7x h ALA 323 N 0.57 1.47 0.11 3.38 0.00 -1.11 0.68 119.26 124.36 1i7x h ALA 323 Ca 0.04 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1i7x h ALA 323 Cb 0.35 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1i7x h ALA 323 CO -0.13 -0.11 -0.05 -0.07 0.00 0.00 0.00 179.25 178.89 1i7x h LEU 324 N 0.65 -0.12 -0.94 0.00 3.38 -0.28 -2.20 115.31 115.80 1i7x h LEU 324 Ca 0.53 -0.26 0.06 0.00 0.09 0.00 0.00 57.88 58.31 1i7x h LEU 324 Cb 0.82 0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.53 1i7x h LEU 324 CO -0.39 0.19 0.60 0.58 0.09 0.00 0.00 178.44 179.51 1i7x h VAL 325 N -0.45 1.07 -0.16 1.22 2.07 -0.49 -0.99 116.25 118.52 1i7x h VAL 325 Ca -0.01 -0.38 0.04 0.00 0.82 0.00 0.00 66.70 67.17 1i7x h VAL 325 Cb 0.37 -0.12 -0.04 0.00 -1.52 0.00 0.00 31.29 29.98 1i7x h VAL 325 CO 0.02 0.20 -0.10 0.78 0.02 0.00 0.00 177.57 178.49 1i7x h ASN 326 N 1.10 -0.34 -0.79 0.57 2.35 -0.78 -0.77 115.58 116.92 1i7x h ASN 326 Ca 0.41 0.08 0.12 0.00 -0.55 0.00 0.00 56.30 56.35 1i7x h ASN 326 Cb 0.16 0.18 -0.08 0.00 0.05 0.00 0.00 38.32 38.63 1i7x h ASN 326 CO -0.17 -0.14 0.41 0.40 -1.65 0.00 0.00 177.43 176.27 1i7x h ILE 327 N -0.10 0.80 -0.11 2.81 2.04 -0.59 -0.58 117.51 121.77 1i7x h ILE 327 Ca 0.10 -0.22 -0.01 0.00 1.00 0.00 0.00 64.86 65.73 1i7x h ILE 327 Cb 0.25 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.43 1i7x h ILE 327 CO -0.23 0.12 0.03 0.24 0.00 0.00 0.00 178.15 178.31 1i7x h MET 328 N 0.64 0.15 -0.45 2.37 2.86 0.05 -2.64 114.93 117.91 1i7x h MET 328 Ca 0.41 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 58.03 1i7x h MET 328 Cb 0.49 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.12 1i7x h MET 328 CO -0.31 0.14 0.00 2.89 1.06 0.00 0.00 176.91 180.69 1i7x n ARG 329 N -4.48 3.28 -0.01 1.72 1.85 -0.31 -4.61 116.66 114.10 1i7x n ARG 329 Ca -0.01 -2.64 -0.01 0.00 -1.00 0.00 0.00 57.85 54.19 1i7x n ARG 329 Cb 0.12 -1.70 -0.01 0.00 -1.05 0.00 0.00 32.46 29.82 1i7x n ARG 329 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 1i7x n THR 330 N 0.50 0.07 -3.40 8.89 -1.04 -0.69 -5.07 114.28 113.55 1i7x n THR 330 Ca 0.20 -0.03 -0.19 0.00 -2.04 0.00 0.00 64.05 62.00 1i7x n THR 330 Cb 0.76 -0.57 -0.00 0.00 -1.82 0.00 0.00 70.33 68.70 1i7x n THR 330 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 1i7x s TYR 331 N -2.03 3.04 -0.00 -1.42 1.51 -1.10 -5.05 117.35 112.31 1i7x s TYR 331 Ca -0.02 -0.26 0.01 0.00 -1.01 0.00 0.00 57.07 55.79 1i7x s TYR 331 Cb 0.00 -2.06 0.01 0.00 -0.11 0.00 0.00 41.96 39.81 1i7x s TYR 331 CO 0.03 -0.08 0.86 0.25 -1.11 0.00 0.00 175.55 175.50 1i7x n THR 332 N -1.67 0.71 -2.63 -0.71 -2.24 -1.26 -4.95 114.28 101.53 1i7x n THR 332 Ca 0.01 -0.73 -0.43 0.00 -2.27 0.00 0.00 64.05 60.64 1i7x n THR 332 Cb 0.58 0.63 -0.02 0.00 -2.10 0.00 0.00 70.33 69.42 1i7x n THR 332 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1i7x s TYR 333 N -0.75 3.29 0.11 4.78 5.04 -1.26 -4.94 117.35 123.62 1i7x s TYR 333 Ca 0.01 1.42 -0.22 0.00 -2.44 0.00 0.00 57.07 55.84 1i7x s TYR 333 Cb 0.01 -3.30 -0.10 0.00 0.35 0.00 0.00 41.96 38.93 1i7x s TYR 333 CO 0.00 -0.62 1.73 1.49 -1.34 0.00 0.00 175.55 176.81 1i7x h GLU 334 N 7.52 0.02 -0.88 4.97 4.22 -1.99 -0.68 114.58 127.75 1i7x h GLU 334 Ca -0.21 -0.00 0.10 0.00 0.08 0.00 0.00 59.36 59.33 1i7x h GLU 334 Cb 1.07 -0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.24 1i7x h GLU 334 CO 0.97 0.01 0.52 0.87 -2.18 0.00 0.00 179.01 179.20 1i7x h LYS 335 N 0.02 0.84 -0.29 1.92 1.57 -1.99 0.48 116.57 119.12 1i7x h LYS 335 Ca 0.04 -0.05 -0.08 0.00 -1.87 0.00 0.00 60.65 58.69 1i7x h LYS 335 Cb 0.06 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 1i7x h LYS 335 CO -0.08 0.56 -0.12 1.25 -0.57 0.00 0.00 179.45 180.48 1i7x h LEU 336 N 0.87 0.61 -0.41 2.94 5.85 -1.75 -0.47 115.31 122.94 1i7x h LEU 336 Ca 0.43 -0.40 0.01 0.00 0.84 0.00 0.00 57.88 58.76 1i7x h LEU 336 Cb 0.38 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 1i7x h LEU 336 CO -0.25 0.87 0.26 -0.07 -0.34 0.00 0.00 178.44 178.92 1i7x h LEU 337 N 0.34 0.45 0.85 2.25 3.38 -0.50 0.11 115.31 122.19 1i7x h LEU 337 Ca 0.07 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 1i7x h LEU 337 Cb 0.63 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 41.28 1i7x h LEU 337 CO 0.04 0.32 -0.43 -0.25 0.09 0.00 0.00 178.44 178.21 1i7x h TRP 338 N 0.54 -1.14 -0.63 1.13 7.01 -0.80 0.18 115.95 122.25 1i7x h TRP 338 Ca 0.16 -0.02 0.10 0.00 2.11 0.00 0.00 58.89 61.23 1i7x h TRP 338 Cb -0.04 0.38 -0.11 0.00 -2.10 0.00 0.00 29.16 27.29 1i7x h TRP 338 CO -0.06 -0.69 -0.39 1.15 -2.79 0.00 0.00 178.44 175.67 1i7x h THR 339 N -1.17 0.11 -0.35 2.65 2.02 -1.02 -0.40 112.91 114.75 1i7x h THR 339 Ca -0.12 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.12 1i7x h THR 339 Cb 0.91 0.11 -0.05 0.00 -1.74 0.00 0.00 68.15 67.39 1i7x h THR 339 CO 0.17 0.00 0.05 0.74 0.37 0.00 0.00 175.52 176.85 1i7x h THR 340 N -0.18 0.81 -0.49 3.16 2.02 -0.62 -1.48 112.91 116.13 1i7x h THR 340 Ca 0.22 -0.06 0.14 0.00 0.77 0.00 0.00 66.41 67.48 1i7x h THR 340 Cb 0.56 0.63 -0.02 0.00 -1.74 0.00 0.00 68.15 67.58 1i7x h THR 340 CO -0.71 0.03 0.36 0.77 0.37 0.00 0.00 175.52 176.33 1i7x h SER 341 N 0.16 0.00 -0.07 4.18 4.64 0.99 -1.48 113.55 121.98 1i7x h SER 341 Ca 0.17 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.28 1i7x h SER 341 Cb 0.20 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.30 1i7x h SER 341 CO -0.23 0.00 -0.76 0.03 -0.87 0.00 0.00 176.83 175.00 1i7x h ARG 342 N 0.00 0.63 -0.51 4.77 3.08 -0.23 0.34 114.38 122.46 1i7x h ARG 342 Ca 0.23 -0.59 -0.00 0.00 0.07 0.00 0.00 59.98 59.69 1i7x h ARG 342 Cb 0.94 0.15 -0.02 0.00 0.08 0.00 0.00 29.97 31.11 1i7x h ARG 342 CO -0.00 1.20 0.31 0.28 -1.07 0.00 0.00 179.97 180.69 1i7x h VAL 343 N 0.28 1.16 -0.49 2.04 2.07 -1.03 0.17 116.25 120.45 1i7x h VAL 343 Ca -0.08 -0.36 0.06 0.00 0.82 0.00 0.00 66.70 67.14 1i7x h VAL 343 Cb 1.41 0.47 -0.05 0.00 -1.52 0.00 0.00 31.29 31.60 1i7x h VAL 343 CO 0.15 0.16 0.19 -0.07 0.02 0.00 0.00 177.57 178.02 1i7x h LEU 344 N 0.69 0.21 -0.16 2.57 3.38 -1.22 0.39 115.31 121.17 1i7x h LEU 344 Ca 0.18 0.05 0.04 0.00 0.09 0.00 0.00 57.88 58.25 1i7x h LEU 344 Cb -0.00 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 1i7x h LEU 344 CO -0.03 0.15 -0.09 0.50 0.09 0.00 0.00 178.44 179.06 1i7x h LYS 345 N 0.37 -0.08 0.00 1.13 3.64 0.11 0.90 116.57 122.65 1i7x h LYS 345 Ca 0.23 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.59 1i7x h LYS 345 Cb 0.23 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.06 1i7x h LYS 345 CO -0.23 -0.05 -0.14 0.28 -2.27 0.00 0.00 179.45 177.04 1i7x h VAL 346 N -0.08 1.10 0.00 2.00 2.07 -0.34 -2.37 116.25 118.63 1i7x h VAL 346 Ca 0.09 -0.48 -0.13 0.00 0.82 0.00 0.00 66.70 67.00 1i7x h VAL 346 Cb 0.21 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 1i7x h VAL 346 CO -0.21 0.14 -0.79 -0.07 0.02 0.00 0.00 177.57 176.66 1i7x h LEU 347 N 0.00 0.00 -1.64 2.57 3.38 0.13 -3.33 115.31 116.42 1i7x h LEU 347 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1i7x h LEU 347 Cb 0.25 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 1i7x h LEU 347 CO 0.02 0.58 -0.01 0.77 0.09 0.00 0.00 178.44 179.89 1i7x h SER 348 N 0.00 0.00 -0.04 -0.43 4.64 0.13 -2.68 113.55 115.17 1i7x h SER 348 Ca -0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1i7x h SER 348 Cb 1.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.57 1i7x h SER 348 CO 0.07 0.01 0.00 1.33 -0.87 0.00 0.00 176.83 177.37 1i7x n VAL 349 N -3.10 0.06 -3.53 0.95 0.24 -1.23 -4.59 118.33 107.12 1i7x n VAL 349 Ca 0.00 -0.09 -0.37 0.00 -2.04 0.00 0.00 64.34 61.84 1i7x n VAL 349 Cb 0.28 -0.11 -0.08 0.00 -1.47 0.00 0.00 33.84 32.46 1i7x n VAL 349 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1i7x h SER 351 N 7.33 0.09 0.10 0.00 4.64 -1.89 0.51 113.55 124.34 1i7x h SER 351 Ca -0.38 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 60.72 1i7x h SER 351 Cb 1.16 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1i7x h SER 351 CO 0.70 0.05 -1.15 0.28 -0.87 0.00 0.00 176.83 175.84 1i7x h SER 352 N 0.10 0.34 0.12 4.97 0.02 -1.93 -3.38 113.55 113.78 1i7x h SER 352 Ca 0.27 -0.86 -0.20 0.00 -0.84 0.00 0.00 61.79 60.16 1i7x h SER 352 Cb 0.93 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.36 1i7x h SER 352 CO -0.03 1.51 -0.76 0.78 -1.14 0.00 0.00 176.83 177.19 1i7x h ASN 353 N -0.44 0.65 -0.52 3.07 2.35 -1.76 -3.34 115.58 115.59 1i7x h ASN 353 Ca -0.25 -0.43 0.05 0.00 -0.55 0.00 0.00 56.30 55.13 1i7x h ASN 353 Cb 1.63 -0.19 -0.07 0.00 0.05 0.00 0.00 38.32 39.73 1i7x h ASN 353 CO 0.05 1.19 -0.43 0.50 -1.65 0.00 0.00 177.43 177.10 1i7x h LYS 354 N 0.37 -0.14 -0.95 0.81 3.64 -1.05 0.14 116.57 119.38 1i7x h LYS 354 Ca -0.04 0.01 0.12 0.00 -1.27 0.00 0.00 60.65 59.47 1i7x h LYS 354 Cb 1.36 0.03 -0.08 0.00 -0.41 0.00 0.00 32.23 33.13 1i7x h LYS 354 CO 0.14 -0.09 0.60 -1.35 -2.27 0.00 0.00 179.45 176.48 1i7x h PRO 355 N -0.15 0.85 0.29 1.90 0.11 -1.74 -2.05 132.00 131.21 1i7x h PRO 355 Ca 0.09 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.13 1i7x h PRO 355 Cb 0.37 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 31.29 1i7x h PRO 355 CO -0.57 0.57 -0.14 0.00 -0.21 0.00 0.00 178.00 177.65 1i7x h ALA 356 N 1.56 -0.39 -0.95 -0.75 0.00 -1.13 -1.00 119.26 116.61 1i7x h ALA 356 Ca 0.47 -0.14 0.15 0.00 0.00 0.00 0.00 54.91 55.38 1i7x h ALA 356 Cb 0.55 0.15 -0.08 0.00 0.00 0.00 0.00 17.79 18.41 1i7x h ALA 356 CO -0.23 -0.62 0.60 0.82 0.00 0.00 0.00 179.25 179.82 1i7x h ILE 357 N -0.57 0.84 -0.06 0.00 2.04 -0.40 0.20 117.51 119.56 1i7x h ILE 357 Ca -0.04 -0.27 -0.01 0.00 1.00 0.00 0.00 64.86 65.53 1i7x h ILE 357 Cb 0.42 -0.03 -0.00 0.00 -0.74 0.00 0.00 36.82 36.46 1i7x h ILE 357 CO 0.06 0.15 -0.02 0.58 0.00 0.00 0.00 178.15 178.92 1i7x h VAL 358 N 0.80 1.30 0.00 1.67 2.07 -1.14 0.12 116.25 121.07 1i7x h VAL 358 Ca 0.49 -0.93 -0.03 0.00 0.82 0.00 0.00 66.70 67.05 1i7x h VAL 358 Cb 0.69 1.80 -0.00 0.00 -1.52 0.00 0.00 31.29 32.26 1i7x h VAL 358 CO -0.25 0.26 -0.14 -0.33 0.02 0.00 0.00 177.57 177.12 1i7x h GLU 359 N -0.23 0.00 -0.36 1.57 4.39 -0.27 -1.48 114.58 118.20 1i7x h GLU 359 Ca 0.02 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.68 1i7x h GLU 359 Cb 0.41 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.05 1i7x h GLU 359 CO 0.01 0.14 0.07 0.00 -1.16 0.00 0.00 179.01 178.07 1i7x h ALA 360 N 1.86 1.45 0.00 3.43 0.00 -0.41 -3.45 119.26 122.14 1i7x h ALA 360 Ca -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1i7x h ALA 360 Cb 0.25 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1i7x h ALA 360 CO 0.02 0.40 0.00 0.41 0.00 0.00 0.00 179.25 180.08 1i7x n GLY 361 N -1.03 1.99 0.39 0.00 0.00 -0.56 -4.98 105.19 101.01 1i7x n GLY 361 Ca 0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 1i7x n GLY 361 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1i7x h GLY 362 N 0.00 -0.67 -0.07 -0.02 0.00 -0.84 0.07 103.07 101.54 1i7x h GLY 362 Ca 0.00 0.52 0.04 0.00 0.00 0.00 0.00 47.33 47.89 1i7x h GLY 362 CO 0.00 -0.22 -0.47 -0.33 0.00 0.00 0.00 176.54 175.53 1i7x h MET 363 N -0.46 -0.49 -0.51 4.80 2.86 -1.83 0.74 114.93 120.03 1i7x h MET 363 Ca 0.09 0.03 0.07 0.00 -2.06 0.00 0.00 59.70 57.83 1i7x h MET 363 Cb 0.62 0.11 -0.06 0.00 0.06 0.00 0.00 31.60 32.33 1i7x h MET 363 CO -0.42 -0.33 0.20 1.96 1.06 0.00 0.00 176.91 179.38 1i7x h GLN 364 N -0.51 0.37 0.40 1.72 7.50 -1.88 0.51 115.11 123.22 1i7x h GLN 364 Ca 0.07 -0.02 -0.01 0.00 0.50 0.00 0.00 58.65 59.19 1i7x h GLN 364 Cb 0.65 -0.08 -0.02 0.00 0.05 0.00 0.00 27.48 28.08 1i7x h GLN 364 CO -0.43 0.25 -0.33 0.00 -1.50 0.00 0.00 178.83 176.82 1i7x h ALA 365 N 1.33 -0.74 -0.17 3.87 0.00 0.35 -2.43 119.26 121.48 1i7x h ALA 365 Ca 0.25 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1i7x h ALA 365 Cb 0.25 0.45 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1i7x h ALA 365 CO -0.24 -0.94 -0.04 -0.07 0.00 0.00 0.00 179.25 177.96 1i7x h LEU 366 N -0.73 0.23 -2.01 0.00 3.38 0.64 -2.12 115.31 114.71 1i7x h LEU 366 Ca -0.03 -0.03 0.02 0.00 0.09 0.00 0.00 57.88 57.93 1i7x h LEU 366 Cb 0.63 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.32 1i7x h LEU 366 CO -0.02 0.32 0.06 1.23 0.09 0.00 0.00 178.44 180.12 1i7x h GLY 367 N 0.59 0.00 1.63 0.83 0.00 -0.41 -2.60 103.07 103.11 1i7x h GLY 367 Ca 0.06 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.42 1i7x h GLY 367 CO 0.01 0.00 0.15 1.41 0.00 0.00 0.00 176.54 178.11 1i7x h LEU 368 N 0.00 0.00 -1.20 3.11 3.38 -1.16 -2.87 115.31 116.57 1i7x h LEU 368 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1i7x h LEU 368 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1i7x h LEU 368 CO -0.00 0.00 -0.21 1.41 0.09 0.00 0.00 178.44 179.73 1i7x n HIS 369 N -3.77 0.00 0.22 1.13 8.25 -0.98 -4.63 115.22 115.44 1i7x n HIS 369 Ca 0.00 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.61 1i7x n HIS 369 Cb 0.26 0.00 0.56 0.00 1.12 0.00 0.00 29.99 31.93 1i7x n HIS 369 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1i7x h LEU 370 N 2.46 0.00 -3.01 2.41 3.38 -1.60 0.30 115.31 119.24 1i7x h LEU 370 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1i7x h LEU 370 Cb 0.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1i7x h LEU 370 CO 0.00 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.88 1i7x n THR 371 N -3.01 1.46 -2.06 0.22 -2.24 -1.26 -4.91 114.28 102.47 1i7x n THR 371 Ca 0.03 -1.27 -0.37 0.00 -2.27 0.00 0.00 64.05 60.17 1i7x n THR 371 Cb 0.72 0.25 0.01 0.00 -2.10 0.00 0.00 70.33 69.21 1i7x n THR 371 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1i7x s ASP 372 N -1.26 5.71 0.55 3.42 2.15 0.11 -4.89 116.67 122.45 1i7x s ASP 372 Ca 0.32 2.48 0.31 0.00 0.43 0.00 0.00 52.55 56.09 1i7x s ASP 372 Cb 0.21 -2.61 1.57 0.00 -0.30 0.00 0.00 42.92 41.79 1i7x s ASP 372 CO 0.15 -1.25 2.10 1.55 -0.17 0.00 0.00 175.17 177.55 1i7x h PRO 373 N 1.66 0.00 -6.14 4.34 0.13 -1.95 -3.41 132.00 126.63 1i7x h PRO 373 Ca -0.50 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.10 1i7x h PRO 373 Cb 1.27 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.36 1i7x h PRO 373 CO 0.58 0.09 1.27 0.45 -0.23 0.00 0.00 178.00 180.16 1i7x s SER 374 N -5.94 5.61 0.49 1.44 0.15 -1.26 -4.85 113.70 109.35 1i7x s SER 374 Ca -0.02 0.46 0.18 0.00 0.70 0.00 0.00 55.95 57.26 1i7x s SER 374 Cb 0.12 -2.53 1.22 0.00 -1.71 0.00 0.00 66.02 63.12 1i7x s SER 374 CO 0.55 -2.09 2.08 1.56 1.20 0.00 0.00 173.24 176.55 1i7x h GLN 375 N 13.49 0.00 -0.02 5.44 1.08 -2.00 -1.39 115.11 131.72 1i7x h GLN 375 Ca -0.28 0.00 -0.13 0.00 -1.45 0.00 0.00 58.65 56.79 1i7x h GLN 375 Cb 1.14 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.56 1i7x h GLN 375 CO 1.18 0.10 -0.60 0.07 -0.95 0.00 0.00 178.83 178.63 1i7x h ARG 376 N 0.00 0.06 -0.02 1.46 0.11 -1.96 -0.38 114.38 113.64 1i7x h ARG 376 Ca -0.00 -0.04 -0.01 0.00 0.10 0.00 0.00 59.98 60.03 1i7x h ARG 376 Cb 0.18 0.01 -0.00 0.00 1.11 0.00 0.00 29.97 31.27 1i7x h ARG 376 CO 0.01 0.64 -0.03 1.25 0.10 0.00 0.00 179.97 181.94 1i7x h LEU 377 N 0.04 0.06 -0.27 0.08 5.85 -1.69 -2.89 115.31 116.50 1i7x h LEU 377 Ca -0.01 -0.51 0.03 0.00 0.84 0.00 0.00 57.88 58.24 1i7x h LEU 377 Cb 1.07 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 42.04 1i7x h LEU 377 CO 0.08 0.56 0.07 0.58 -0.34 0.00 0.00 178.44 179.38 1i7x h VAL 378 N -0.43 0.89 -0.93 1.05 2.07 -1.16 -1.26 116.25 116.48 1i7x h VAL 378 Ca 0.00 -0.06 -0.00 0.00 0.82 0.00 0.00 66.70 67.46 1i7x h VAL 378 Cb 0.54 0.70 -0.05 0.00 -1.52 0.00 0.00 31.29 30.96 1i7x h VAL 378 CO 0.01 0.03 0.58 -0.61 0.02 0.00 0.00 177.57 177.60 1i7x h GLN 379 N 0.18 1.26 -0.52 1.57 5.75 -1.14 0.21 115.11 122.41 1i7x h GLN 379 Ca 0.12 -0.10 -0.09 0.00 -0.15 0.00 0.00 58.65 58.43 1i7x h GLN 379 Cb 0.12 -0.27 -0.02 0.00 1.07 0.00 0.00 27.48 28.38 1i7x h GLN 379 CO -0.15 0.87 -0.05 -0.91 -2.65 0.00 0.00 178.83 175.93 1i7x h ASN 380 N 1.28 0.90 -0.38 -0.69 2.35 -1.24 -0.42 115.58 117.38 1i7x h ASN 380 Ca 0.34 -0.26 -0.08 0.00 -0.55 0.00 0.00 56.30 55.75 1i7x h ASN 380 Cb -0.08 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.04 1i7x h ASN 380 CO -0.07 0.99 -0.07 0.00 -1.65 0.00 0.00 177.43 176.63 1i7x h LEU 382 N 0.52 0.09 -0.26 0.00 3.38 -0.56 0.44 115.31 118.93 1i7x h LEU 382 Ca 0.10 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 1i7x h LEU 382 Cb 0.57 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 1i7x h LEU 382 CO 0.03 0.08 0.15 -0.50 0.09 0.00 0.00 178.44 178.29 1i7x h TRP 383 N 0.28 0.34 0.01 1.13 6.55 -0.90 -0.65 115.95 122.71 1i7x h TRP 383 Ca 0.22 -0.00 -0.00 0.00 0.95 0.00 0.00 58.89 60.05 1i7x h TRP 383 Cb 0.25 -0.11 0.00 0.00 -0.86 0.00 0.00 29.16 28.44 1i7x h TRP 383 CO -0.18 0.28 -0.00 1.15 -1.05 0.00 0.00 178.44 178.63 1i7x h THR 384 N 0.31 1.08 -0.56 1.49 2.02 -0.81 -0.77 112.91 115.67 1i7x h THR 384 Ca 0.09 -0.27 0.11 0.00 0.77 0.00 0.00 66.41 67.10 1i7x h THR 384 Cb 0.04 1.27 -0.08 0.00 -1.74 0.00 0.00 68.15 67.63 1i7x h THR 384 CO -0.02 0.07 0.07 -0.07 0.37 0.00 0.00 175.52 175.95 1i7x h LEU 385 N -0.13 -0.09 -0.31 2.58 3.38 0.02 -0.65 115.31 120.11 1i7x h LEU 385 Ca -0.00 0.12 0.02 0.00 0.09 0.00 0.00 57.88 58.11 1i7x h LEU 385 Cb 0.13 0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 1i7x h LEU 385 CO 0.00 -0.03 0.15 -0.09 0.09 0.00 0.00 178.44 178.57 1i7x h ARG 386 N 0.20 0.31 -0.76 1.13 2.43 -0.78 0.37 114.38 117.28 1i7x h ARG 386 Ca 0.29 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.44 1i7x h ARG 386 Cb 0.43 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.88 1i7x h ARG 386 CO -0.41 0.21 0.46 -0.91 -1.51 0.00 0.00 179.97 177.80 1i7x h ASN 387 N 0.32 0.91 1.16 -3.80 -0.26 -0.02 -2.54 115.58 111.34 1i7x h ASN 387 Ca 0.13 -0.05 -0.16 0.00 -0.56 0.00 0.00 56.30 55.66 1i7x h ASN 387 Cb 0.05 -0.23 -0.02 0.00 -1.06 0.00 0.00 38.32 37.06 1i7x h ASN 387 CO -0.09 0.69 -0.77 -0.07 -1.06 0.00 0.00 177.43 176.14 1i7x h LEU 388 N 1.05 0.00 -0.72 1.61 3.38 -0.72 -3.38 115.31 116.53 1i7x h LEU 388 Ca 0.27 0.00 0.16 0.00 0.09 0.00 0.00 57.88 58.40 1i7x h LEU 388 Cb -0.05 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 40.57 1i7x h LEU 388 CO -0.05 0.77 -0.12 -1.54 0.09 0.00 0.00 178.44 177.59 1i7x n SER 389 N -3.34 -0.20 0.31 -0.43 3.41 0.13 0.05 113.62 113.55 1i7x n SER 389 Ca 0.01 1.23 0.20 0.00 -0.26 0.00 0.00 58.87 60.05 1i7x n SER 389 Cb 0.83 -0.39 1.00 0.00 -0.26 0.00 0.00 64.21 65.38 1i7x n SER 389 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 1i7x h ASP 390 N 0.00 0.00 -0.01 4.04 3.04 -1.75 -2.24 116.42 119.50 1i7x h ASP 390 Ca 0.37 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.16 1i7x h ASP 390 Cb 0.64 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.93 1i7x h ASP 390 CO -0.72 0.00 -0.37 0.00 -2.04 0.00 0.00 179.24 176.12 1i7x n ALA 391 N -2.07 3.31 -0.18 4.15 0.00 0.11 -4.39 120.51 121.44 1i7x n ALA 391 Ca -0.02 -0.65 0.11 0.00 0.00 0.00 0.00 53.44 52.89 1i7x n ALA 391 Cb 0.16 -0.80 0.30 0.00 0.00 0.00 0.00 19.45 19.10 1i7x n ALA 391 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i7x n ALA 392 N 0.27 2.39 0.00 0.00 0.00 -0.84 -4.61 120.51 117.72 1i7x n ALA 392 Ca 0.10 -1.21 0.00 0.00 0.00 0.00 0.00 53.44 52.34 1i7x n ALA 392 Cb 0.50 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 19.01 1i7x n ALA 392 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1i7x n THR 393 N 1.55 0.00 -0.79 0.00 -2.24 -1.25 -1.06 114.28 110.49 1i7x n THR 393 Ca 0.23 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.01 1i7x n THR 393 Cb 0.60 -0.64 0.00 0.00 -2.10 0.00 0.00 70.33 68.18 1i7x n THR 393 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1i7x n LYS 394 N -0.63 -0.07 -1.98 -0.78 5.02 -1.26 -4.75 118.16 113.71 1i7x n LYS 394 Ca 0.00 -0.20 -0.33 0.00 -2.02 0.00 0.00 58.31 55.75 1i7x n LYS 394 Cb 0.00 -0.60 0.02 0.00 -0.02 0.00 0.00 35.03 34.43 1i7x n LYS 394 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1i7x s GLN 395 N -0.03 3.12 0.39 1.97 -1.52 -0.22 -5.06 119.66 118.29 1i7x s GLN 395 Ca 0.00 1.37 0.07 0.00 -1.95 0.00 0.00 55.36 54.84 1i7x s GLN 395 Cb 0.00 -1.99 -0.08 0.00 -0.22 0.00 0.00 33.01 30.72 1i7x s GLN 395 CO 0.00 -1.00 0.00 -1.21 -0.25 0.00 0.00 175.29 172.84 1i7x s GLU 396 N -3.90 1.89 -0.46 2.91 2.02 -1.26 -4.68 118.70 115.21 1i7x s GLU 396 Ca 0.67 -2.05 0.00 0.00 0.02 0.00 0.00 54.97 53.61 1i7x s GLU 396 Cb -0.19 -1.53 0.00 0.00 0.10 0.00 0.00 34.13 32.51 1i7x s GLU 396 CO 0.36 -0.04 0.00 0.41 0.02 0.00 0.00 175.26 176.01 1i7x n GLY 397 N -0.90 0.61 0.34 -1.39 0.00 -1.26 -4.89 105.19 97.70 1i7x n GLY 397 Ca -0.05 -0.83 0.04 0.00 0.00 0.00 0.00 46.02 45.18 1i7x n GLY 397 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1i7x n MET 398 N -2.56 1.43 -0.07 1.61 2.81 -1.26 -4.11 117.12 114.97 1i7x n MET 398 Ca -0.05 -0.67 -0.10 0.00 -1.81 0.00 0.00 57.70 55.07 1i7x n MET 398 Cb 0.23 -1.17 0.04 0.00 -0.71 0.00 0.00 33.22 31.62 1i7x n MET 398 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 1i7x h GLU 399 N 1.11 0.76 0.14 0.03 3.07 -1.98 0.13 114.58 117.85 1i7x h GLU 399 Ca 0.00 -0.39 -0.01 0.00 -0.50 0.00 0.00 59.36 58.47 1i7x h GLU 399 Cb 0.25 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.17 1i7x h GLU 399 CO 0.00 1.01 -0.07 0.78 -1.40 0.00 0.00 179.01 179.33 1i7x h GLY 400 N 0.92 -0.20 0.19 -3.84 0.00 -2.01 -2.12 103.07 96.02 1i7x h GLY 400 Ca 0.06 0.07 -0.01 0.00 0.00 0.00 0.00 47.33 47.45 1i7x h GLY 400 CO 0.08 -0.07 -0.16 -2.00 0.00 0.00 0.00 176.54 174.39 1i7x h LEU 401 N -0.36 -0.42 -1.00 3.11 5.85 -1.80 -2.80 115.31 117.88 1i7x h LEU 401 Ca -0.02 0.03 0.37 0.00 0.84 0.00 0.00 57.88 59.10 1i7x h LEU 401 Cb 0.29 0.13 -0.16 0.00 0.37 0.00 0.00 40.66 41.29 1i7x h LEU 401 CO 0.03 -0.22 0.55 -0.07 -0.34 0.00 0.00 178.44 178.39 1i7x h LEU 402 N -0.34 0.41 0.56 2.25 3.38 -0.80 -0.84 115.31 119.93 1i7x h LEU 402 Ca -0.02 0.23 -0.03 0.00 0.09 0.00 0.00 57.88 58.14 1i7x h LEU 402 Cb 0.29 0.21 0.01 0.00 0.09 0.00 0.00 40.66 41.25 1i7x h LEU 402 CO -0.00 -0.29 -0.27 1.23 0.09 0.00 0.00 178.44 179.20 1i7x h GLY 403 N 0.16 -0.79 -0.08 0.83 0.00 -1.19 -2.73 103.07 99.28 1i7x h GLY 403 Ca 0.79 0.29 0.12 0.00 0.00 0.00 0.00 47.33 48.54 1i7x h GLY 403 CO -0.69 -0.29 -0.05 -0.84 0.00 0.00 0.00 176.54 174.67 1i7x h THR 404 N -0.81 0.48 -0.46 4.70 2.02 -0.96 -1.19 112.91 116.69 1i7x h THR 404 Ca -0.08 -0.02 0.09 0.00 0.77 0.00 0.00 66.41 67.17 1i7x h THR 404 Cb 0.58 0.40 -0.09 0.00 -1.74 0.00 0.00 68.15 67.30 1i7x h THR 404 CO 0.13 0.01 -0.16 -0.07 0.37 0.00 0.00 175.52 175.80 1i7x h LEU 405 N 0.07 -0.58 -0.59 2.58 3.38 -1.25 1.00 115.31 119.93 1i7x h LEU 405 Ca 0.30 0.15 0.08 0.00 0.09 0.00 0.00 57.88 58.50 1i7x h LEU 405 Cb 0.48 0.34 -0.06 0.00 0.09 0.00 0.00 40.66 41.50 1i7x h LEU 405 CO -0.54 -0.20 0.26 0.58 0.09 0.00 0.00 178.44 178.63 1i7x h VAL 406 N -0.06 0.85 0.20 1.22 2.07 -0.92 -0.83 116.25 118.79 1i7x h VAL 406 Ca 0.22 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.58 1i7x h VAL 406 Cb 0.40 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 1i7x h VAL 406 CO -0.50 0.09 -0.18 1.56 0.02 0.00 0.00 177.57 178.56 1i7x h GLN 407 N 0.47 -0.39 -0.20 1.57 1.08 0.11 -2.26 115.11 115.51 1i7x h GLN 407 Ca 0.28 0.03 0.06 0.00 -1.45 0.00 0.00 58.65 57.57 1i7x h GLN 407 Cb 0.29 0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.80 1i7x h GLN 407 CO -0.25 -0.26 0.41 -0.07 -0.95 0.00 0.00 178.83 177.71 1i7x h LEU 408 N -0.40 0.00 -2.67 1.46 3.38 0.23 0.14 115.31 117.44 1i7x h LEU 408 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1i7x h LEU 408 Cb 0.37 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 1i7x h LEU 408 CO -0.03 0.00 0.02 -0.07 0.09 0.00 0.00 178.44 178.45 1i7x h LEU 409 N 0.00 0.00 0.00 1.67 3.38 -0.68 -0.04 115.31 119.64 1i7x h LEU 409 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1i7x h LEU 409 Cb 0.90 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.65 1i7x h LEU 409 CO -0.00 0.00 -0.08 0.61 0.09 0.00 0.00 178.44 179.06 1i7x n GLY 410 N -1.22 -1.63 3.39 0.83 0.00 0.47 -4.80 105.19 102.23 1i7x n GLY 410 Ca -0.03 -0.07 -0.40 0.00 0.00 0.00 0.00 46.02 45.52 1i7x n GLY 410 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1i7x n SER 411 N -2.08 -1.91 0.00 1.61 2.88 -0.03 -4.83 113.62 109.26 1i7x n SER 411 Ca 0.06 0.78 0.14 0.00 -1.33 0.00 0.00 58.87 58.51 1i7x n SER 411 Cb 0.41 -1.03 0.67 0.00 -0.75 0.00 0.00 64.21 63.50 1i7x n SER 411 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1i7x n ASP 412 N 1.48 0.00 -4.56 -3.46 5.68 -1.26 -4.64 116.55 109.78 1i7x n ASP 412 Ca 0.11 0.24 -0.41 0.00 -0.50 0.00 0.00 54.79 54.23 1i7x n ASP 412 Cb 0.44 -0.41 -0.08 0.00 -1.14 0.00 0.00 41.12 39.93 1i7x n ASP 412 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1i7x s ASP 413 N -2.83 6.31 0.35 -1.12 -1.08 -1.26 -4.96 116.67 112.09 1i7x s ASP 413 Ca 0.20 -0.02 0.03 0.00 -0.52 0.00 0.00 52.55 52.24 1i7x s ASP 413 Cb 0.19 -2.26 0.66 0.00 -1.46 0.00 0.00 42.92 40.05 1i7x s ASP 413 CO 0.50 -0.45 2.00 -0.29 0.52 0.00 0.00 175.17 177.45 1i7x h ILE 414 N 5.59 1.14 -0.04 4.11 6.09 -1.99 -1.68 117.51 130.72 1i7x h ILE 414 Ca -0.28 -0.29 -0.09 0.00 -1.37 0.00 0.00 64.86 62.83 1i7x h ILE 414 Cb 1.13 0.23 -0.01 0.00 0.47 0.00 0.00 36.82 38.64 1i7x h ILE 414 CO 0.76 0.15 -0.39 0.78 -3.07 0.00 0.00 178.15 176.38 1i7x h ASN 415 N 0.83 0.09 -0.02 2.19 -0.26 -1.97 0.83 115.58 117.28 1i7x h ASN 415 Ca 0.24 -0.03 -0.01 0.00 -0.56 0.00 0.00 56.30 55.94 1i7x h ASN 415 Cb -0.03 -0.02 -0.00 0.00 -1.06 0.00 0.00 38.32 37.20 1i7x h ASN 415 CO -0.06 0.48 -0.02 0.58 -1.06 0.00 0.00 177.43 177.34 1i7x h VAL 416 N 0.08 1.41 0.50 2.81 2.07 -1.74 -2.27 116.25 119.11 1i7x h VAL 416 Ca 0.01 -1.24 -0.01 0.00 0.82 0.00 0.00 66.70 66.27 1i7x h VAL 416 Cb 0.73 2.21 -0.02 0.00 -1.52 0.00 0.00 31.29 32.69 1i7x h VAL 416 CO 0.05 0.33 -0.42 0.58 0.02 0.00 0.00 177.57 178.13 1i7x h VAL 417 N -0.46 0.15 -0.92 2.57 2.07 -0.83 -0.18 116.25 118.66 1i7x h VAL 417 Ca 0.00 0.00 0.24 0.00 0.82 0.00 0.00 66.70 67.76 1i7x h VAL 417 Cb 0.54 0.15 -0.13 0.00 -1.52 0.00 0.00 31.29 30.33 1i7x h VAL 417 CO 0.01 0.00 0.39 0.74 0.02 0.00 0.00 177.57 178.73 1i7x h THR 418 N -0.92 0.41 0.32 2.57 2.02 0.63 0.52 112.91 118.46 1i7x h THR 418 Ca -0.05 -0.12 -0.02 0.00 0.77 0.00 0.00 66.41 66.99 1i7x h THR 418 Cb 0.79 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.23 1i7x h THR 418 CO -0.02 0.06 -0.15 0.00 0.37 0.00 0.00 175.52 175.78 1i7x h ALA 420 N -0.19 0.84 -0.00 0.00 0.00 0.36 0.19 119.26 120.45 1i7x h ALA 420 Ca -0.04 0.14 0.03 0.00 0.00 0.00 0.00 54.91 55.03 1i7x h ALA 420 Cb 0.50 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.43 1i7x h ALA 420 CO 0.07 -0.30 -0.19 0.00 0.00 0.00 0.00 179.25 178.83 1i7x h ALA 421 N 1.53 -0.24 -0.64 0.00 0.00 0.14 0.11 119.26 120.16 1i7x h ALA 421 Ca 0.36 0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.28 1i7x h ALA 421 Cb 0.57 0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 1i7x h ALA 421 CO -0.44 -0.69 0.42 0.78 0.00 0.00 0.00 179.25 179.33 1i7x h GLY 422 N -0.31 0.90 1.00 0.00 0.00 0.38 0.43 103.07 105.47 1i7x h GLY 422 Ca 0.06 -0.33 -0.01 0.00 0.00 0.00 0.00 47.33 47.05 1i7x h GLY 422 CO -0.18 0.32 0.36 -2.22 0.00 0.00 0.00 176.54 174.82 1i7x h ILE 423 N 0.86 1.20 -0.49 2.60 2.04 -0.24 -2.42 117.51 121.05 1i7x h ILE 423 Ca 0.23 -0.50 -0.03 0.00 1.00 0.00 0.00 64.86 65.56 1i7x h ILE 423 Cb -0.09 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 36.33 1i7x h ILE 423 CO -0.05 0.22 0.20 -0.07 0.00 0.00 0.00 178.15 178.45 1i7x h LEU 424 N 0.88 0.68 -0.06 1.44 3.38 -0.35 -0.86 115.31 120.41 1i7x h LEU 424 Ca 0.23 -0.16 0.03 0.00 0.09 0.00 0.00 57.88 58.06 1i7x h LEU 424 Cb 0.04 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.55 1i7x h LEU 424 CO -0.04 0.66 -0.48 -1.28 0.09 0.00 0.00 178.44 177.39 1i7x h SER 425 N 0.66 -1.48 -0.64 -0.43 0.87 -0.47 -1.63 113.55 110.42 1i7x h SER 425 Ca 0.17 0.18 -0.06 0.00 -1.23 0.00 0.00 61.79 60.85 1i7x h SER 425 Cb 0.19 0.58 -0.03 0.00 -0.44 0.00 0.00 62.40 62.70 1i7x h SER 425 CO -0.01 -0.48 0.18 0.78 -0.53 0.00 0.00 176.83 176.77 1i7x h ASN 426 N -0.58 0.95 0.89 6.23 2.35 -1.30 -3.01 115.58 121.11 1i7x h ASN 426 Ca 0.04 -0.22 0.00 0.00 -0.55 0.00 0.00 56.30 55.58 1i7x h ASN 426 Cb 0.68 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.80 1i7x h ASN 426 CO -0.38 0.92 0.00 -0.07 -1.65 0.00 0.00 177.43 176.25 1i7x h LEU 427 N 0.93 0.00 -2.28 1.61 3.38 -0.90 -1.73 115.31 116.33 1i7x h LEU 427 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1i7x h LEU 427 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1i7x h LEU 427 CO -0.00 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.88 1i7x n THR 428 N -2.98 1.04 -2.80 0.22 -2.24 -0.64 -4.68 114.28 102.21 1i7x n THR 428 Ca 0.00 -0.83 -0.43 0.00 -2.27 0.00 0.00 64.05 60.53 1i7x n THR 428 Cb 0.27 0.23 -0.04 0.00 -2.10 0.00 0.00 70.33 68.70 1i7x n THR 428 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1i7x n ASN 430 N 7.49 -5.67 -3.53 0.00 5.15 -1.26 -4.93 115.26 112.50 1i7x n ASN 430 Ca 0.04 -0.16 -0.28 0.00 -0.60 0.00 0.00 54.58 53.58 1i7x n ASN 430 Cb 0.48 -4.59 -0.11 0.00 -0.53 0.00 0.00 39.78 35.03 1i7x n ASN 430 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1i7x s ASN 431 N -2.47 2.60 0.55 1.20 3.84 -1.26 -4.98 114.94 114.42 1i7x s ASN 431 Ca 0.16 -2.93 0.36 0.00 0.21 0.00 0.00 52.86 50.66 1i7x s ASN 431 Cb -0.07 -0.70 1.54 0.00 -0.55 0.00 0.00 41.25 41.47 1i7x s ASN 431 CO 0.19 -0.20 1.80 0.10 -2.79 0.00 0.00 177.10 176.20 1i7x h TYR 432 N 6.07 0.00 0.05 0.43 -0.00 -1.90 0.07 116.97 121.68 1i7x h TYR 432 Ca 0.16 0.00 -0.00 0.00 0.00 0.00 0.00 58.73 58.89 1i7x h TYR 432 Cb 0.90 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.63 1i7x h TYR 432 CO 0.40 0.00 -0.03 0.87 -0.00 0.00 0.00 178.16 179.40 1i7x h LYS 433 N 0.00 -0.07 -0.49 0.10 1.57 -1.94 -0.91 116.57 114.83 1i7x h LYS 433 Ca 0.55 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 59.29 1i7x h LYS 433 Cb 2.23 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 34.54 1i7x h LYS 433 CO -0.01 0.21 0.14 -0.91 -0.57 0.00 0.00 179.45 178.32 1i7x h ASN 434 N -0.34 0.72 -0.41 0.86 2.35 -1.33 -2.28 115.58 115.15 1i7x h ASN 434 Ca -0.01 -0.21 0.09 0.00 -0.55 0.00 0.00 56.30 55.61 1i7x h ASN 434 Cb 0.31 -0.19 -0.08 0.00 0.05 0.00 0.00 38.32 38.40 1i7x h ASN 434 CO 0.01 0.74 -0.14 0.11 -1.65 0.00 0.00 177.43 176.50 1i7x h LYS 435 N 0.66 -0.05 -0.07 0.81 1.57 -1.24 -0.41 116.57 117.84 1i7x h LYS 435 Ca 0.16 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.97 1i7x h LYS 435 Cb 0.29 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.55 1i7x h LYS 435 CO -0.00 -0.03 -0.53 0.52 -0.57 0.00 0.00 179.45 178.84 1i7x h MET 436 N -0.05 -0.60 -0.05 3.15 2.86 -0.80 -2.44 114.93 117.01 1i7x h MET 436 Ca 0.20 0.04 0.04 0.00 -2.06 0.00 0.00 59.70 57.92 1i7x h MET 436 Cb 0.36 0.14 -0.06 0.00 0.06 0.00 0.00 31.60 32.10 1i7x h MET 436 CO -0.45 -0.40 -0.37 1.98 1.06 0.00 0.00 176.91 178.73 1i7x h MET 437 N -0.62 -0.48 -0.97 1.72 1.85 -0.79 -1.45 114.93 114.19 1i7x h MET 437 Ca 0.03 0.03 0.22 0.00 -0.61 0.00 0.00 59.70 59.37 1i7x h MET 437 Cb 0.70 0.11 -0.12 0.00 0.43 0.00 0.00 31.60 32.72 1i7x h MET 437 CO -0.40 -0.32 0.55 0.28 -0.40 0.00 0.00 176.91 176.62 1i7x h VAL 438 N -0.50 0.57 0.10 -5.77 2.07 -0.91 -1.33 116.25 110.48 1i7x h VAL 438 Ca 0.07 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 1i7x h VAL 438 Cb 0.60 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.30 1i7x h VAL 438 CO -0.32 0.11 -0.05 0.00 0.02 0.00 0.00 177.57 177.33 1i7x h GLN 440 N -0.57 0.09 -0.66 0.00 4.20 -0.23 0.28 115.11 118.22 1i7x h GLN 440 Ca -0.01 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.69 1i7x h GLN 440 Cb 0.46 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.22 1i7x h GLN 440 CO 0.02 0.06 0.00 1.33 -0.67 0.00 0.00 178.83 179.57 1i7x n VAL 441 N -4.29 1.34 -1.17 -0.54 0.24 -0.89 -4.93 118.33 108.08 1i7x n VAL 441 Ca 0.28 -0.99 0.00 0.00 -2.04 0.00 0.00 64.34 61.58 1i7x n VAL 441 Cb 1.24 0.23 0.00 0.00 -1.47 0.00 0.00 33.84 33.84 1i7x n VAL 441 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1i7x n GLY 442 N 1.27 0.68 0.31 7.63 0.00 0.97 -4.96 105.19 111.10 1i7x n GLY 442 Ca 0.23 -0.73 0.01 0.00 0.00 0.00 0.00 46.02 45.53 1i7x n GLY 442 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1i7x h GLY 443 N 0.00 0.75 0.48 -0.02 0.00 -0.91 -2.72 103.07 100.65 1i7x h GLY 443 Ca 0.00 -0.33 0.04 0.00 0.00 0.00 0.00 47.33 47.04 1i7x h GLY 443 CO 0.00 0.32 -0.14 -2.22 0.00 0.00 0.00 176.54 174.50 1i7x h ILE 444 N 0.71 0.62 -0.09 2.60 1.08 -1.84 0.52 117.51 121.11 1i7x h ILE 444 Ca 0.18 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.65 1i7x h ILE 444 Cb 0.04 0.62 -0.00 0.00 -3.07 0.00 0.00 36.82 34.40 1i7x h ILE 444 CO -0.03 0.00 0.04 -0.08 -0.69 0.00 0.00 178.15 177.39 1i7x h GLU 445 N -0.17 0.12 -0.77 2.37 4.81 -1.90 -0.73 114.58 118.32 1i7x h GLU 445 Ca 0.09 -0.02 0.08 0.00 -0.13 0.00 0.00 59.36 59.39 1i7x h GLU 445 Cb 0.31 -0.02 -0.07 0.00 0.63 0.00 0.00 28.75 29.60 1i7x h GLU 445 CO -0.24 0.21 0.43 0.00 -0.73 0.00 0.00 179.01 178.68 1i7x h ALA 446 N 0.90 1.07 -0.18 2.92 0.00 -1.09 0.77 119.26 123.65 1i7x h ALA 446 Ca 0.03 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 1i7x h ALA 446 Cb 0.13 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1i7x h ALA 446 CO -0.00 0.07 -0.23 -0.07 0.00 0.00 0.00 179.25 179.01 1i7x h LEU 447 N 0.74 0.51 -0.13 0.00 3.38 0.19 -1.03 115.31 118.96 1i7x h LEU 447 Ca 0.36 -0.51 0.03 0.00 0.09 0.00 0.00 57.88 57.86 1i7x h LEU 447 Cb 0.31 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 1i7x h LEU 447 CO -0.23 0.91 -0.07 0.58 0.09 0.00 0.00 178.44 179.72 1i7x h VAL 448 N 0.11 0.78 -0.41 1.22 2.07 -0.72 0.48 116.25 119.78 1i7x h VAL 448 Ca 0.02 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.55 1i7x h VAL 448 Cb 0.79 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 1i7x h VAL 448 CO 0.05 0.00 0.27 -0.09 0.02 0.00 0.00 177.57 177.82 1i7x h ARG 449 N -0.06 0.50 -0.26 1.57 2.43 -0.85 -0.67 114.38 117.04 1i7x h ARG 449 Ca 0.08 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.23 1i7x h ARG 449 Cb 0.17 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 1i7x h ARG 449 CO -0.17 0.33 0.13 1.15 -1.51 0.00 0.00 179.97 179.90 1i7x h THR 450 N 0.52 1.00 -0.38 0.20 2.02 0.42 0.12 112.91 116.80 1i7x h THR 450 Ca 0.15 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 67.24 1i7x h THR 450 Cb -0.01 0.69 -0.02 0.00 -1.74 0.00 0.00 68.15 67.07 1i7x h THR 450 CO -0.03 0.05 0.24 0.58 0.37 0.00 0.00 175.52 176.73 1i7x h VAL 451 N 0.28 1.11 -0.22 3.16 2.07 -0.02 0.11 116.25 122.74 1i7x h VAL 451 Ca 0.11 -0.24 0.03 0.00 0.82 0.00 0.00 66.70 67.42 1i7x h VAL 451 Cb 0.02 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 30.35 1i7x h VAL 451 CO -0.07 0.11 0.05 -0.07 0.02 0.00 0.00 177.57 177.61 1i7x h LEU 452 N 0.51 0.02 -0.53 2.57 3.38 -0.59 -2.34 115.31 118.33 1i7x h LEU 452 Ca 0.14 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1i7x h LEU 452 Cb -0.03 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 1i7x h LEU 452 CO -0.03 0.04 0.34 0.03 0.09 0.00 0.00 178.44 178.91 1i7x h ARG 453 N 0.14 0.71 -0.77 1.13 3.08 -0.45 -3.08 114.38 115.13 1i7x h ARG 453 Ca 0.10 -0.05 0.14 0.00 0.07 0.00 0.00 59.98 60.24 1i7x h ARG 453 Cb 0.09 -0.15 -0.09 0.00 0.08 0.00 0.00 29.97 29.90 1i7x h ARG 453 CO -0.13 0.49 0.34 0.00 -1.07 0.00 0.00 179.97 179.60 1i7x h ALA 454 N 1.18 1.10 -0.93 0.04 0.00 -0.29 -3.47 119.26 116.90 1i7x h ALA 454 Ca 0.19 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1i7x h ALA 454 Cb -0.05 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1i7x h ALA 454 CO -0.04 -0.16 0.00 0.41 0.00 0.00 0.00 179.25 179.46 1i7x n GLY 455 N -1.32 3.90 0.00 0.00 0.00 -0.94 -2.26 105.19 104.57 1i7x n GLY 455 Ca 0.14 0.01 0.12 0.00 0.00 0.00 0.00 46.02 46.29 1i7x n GLY 455 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1i7x n ASP 456 N 7.41 0.00 -4.56 1.61 5.75 -1.26 -4.72 116.55 120.78 1i7x n ASP 456 Ca 0.00 0.49 -0.30 0.00 -0.01 0.00 0.00 54.79 54.96 1i7x n ASP 456 Cb 0.00 -0.50 -0.05 0.00 -1.03 0.00 0.00 41.12 39.55 1i7x n ASP 456 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1i7x s ARG 457 N -2.99 2.82 0.58 0.11 1.81 -0.96 -4.83 118.95 115.49 1i7x s ARG 457 Ca 0.12 -0.55 0.29 0.00 -1.72 0.00 0.00 55.73 53.88 1i7x s ARG 457 Cb 0.16 -5.15 1.76 0.00 -0.45 0.00 0.00 34.95 31.28 1i7x s ARG 457 CO 0.45 -3.11 2.24 0.93 -0.68 0.00 0.00 175.30 175.13 1i7x h GLU 458 N 10.82 0.00 0.00 3.54 5.08 -1.89 0.02 114.58 132.15 1i7x h GLU 458 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1i7x h GLU 458 Cb 1.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.25 1i7x h GLU 458 CO 1.27 0.01 0.00 0.38 -1.00 0.00 0.00 179.01 179.67 1i7x h ASP 459 N 0.00 0.00 0.00 1.42 2.03 -1.99 -1.73 116.42 116.15 1i7x h ASP 459 Ca -0.00 0.00 -0.36 0.00 -0.73 0.00 0.00 57.03 55.94 1i7x h ASP 459 Cb 0.03 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 38.47 1i7x h ASP 459 CO 0.00 0.00 -2.27 -0.38 -1.03 0.00 0.00 179.24 175.57 1i7x n ILE 460 N -2.53 1.25 -0.09 4.15 5.41 -0.08 -4.57 119.36 122.89 1i7x n ILE 460 Ca 0.00 -0.38 -0.10 0.00 1.00 0.00 0.00 62.75 63.28 1i7x n ILE 460 Cb 0.19 -1.61 -0.02 0.00 -0.71 0.00 0.00 39.64 37.49 1i7x n ILE 460 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 176.55 177.26 1i7x h THR 461 N -0.52 1.14 0.06 1.39 1.35 -1.26 -2.64 112.91 112.43 1i7x h THR 461 Ca -0.55 -0.40 0.01 0.00 -0.55 0.00 0.00 66.41 64.93 1i7x h THR 461 Cb 1.60 0.86 -0.04 0.00 -1.73 0.00 0.00 68.15 68.84 1i7x h THR 461 CO -0.25 0.15 -0.42 -0.08 -0.25 0.00 0.00 175.52 174.67 1i7x h GLU 462 N 0.36 -0.54 -0.94 4.72 4.81 -1.58 1.18 114.58 122.58 1i7x h GLU 462 Ca 0.10 0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.41 1i7x h GLU 462 Cb 0.10 0.12 -0.05 0.00 0.63 0.00 0.00 28.75 29.55 1i7x h GLU 462 CO -0.01 -0.36 0.62 -1.00 -0.73 0.00 0.00 179.01 177.52 1i7x h PRO 463 N -0.56 1.15 -0.20 0.92 0.13 -1.81 0.16 132.00 131.79 1i7x h PRO 463 Ca 0.00 -0.07 -0.00 0.00 -0.87 0.00 0.00 66.00 65.06 1i7x h PRO 463 Cb 0.58 -0.26 -0.01 0.00 0.13 0.00 0.00 31.00 31.44 1i7x h PRO 463 CO -0.25 0.76 0.12 0.00 -0.23 0.00 0.00 178.00 178.40 1i7x h ALA 464 N 1.45 0.26 -0.35 -0.56 0.00 -0.97 0.34 119.26 119.43 1i7x h ALA 464 Ca 0.37 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.23 1i7x h ALA 464 Cb 0.01 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1i7x h ALA 464 CO -0.11 -0.24 0.16 0.82 0.00 0.00 0.00 179.25 179.88 1i7x h ILE 465 N 0.24 1.17 -0.76 0.00 1.08 0.21 -1.98 117.51 117.48 1i7x h ILE 465 Ca 0.07 -0.49 0.00 0.00 -0.39 0.00 0.00 64.86 64.05 1i7x h ILE 465 Cb 0.02 0.86 -0.04 0.00 -3.07 0.00 0.00 36.82 34.59 1i7x h ILE 465 CO -0.01 0.18 0.48 0.00 -0.69 0.00 0.00 178.15 178.11 1i7x h ALA 467 N 1.50 0.77 -0.53 0.00 0.00 -0.50 -0.65 119.26 119.85 1i7x h ALA 467 Ca 0.28 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.05 1i7x h ALA 467 Cb -0.09 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 1i7x h ALA 467 CO -0.06 0.23 0.02 -0.07 0.00 0.00 0.00 179.25 179.37 1i7x h LEU 468 N 0.82 0.85 0.57 0.00 3.38 -0.50 -0.69 115.31 119.74 1i7x h LEU 468 Ca 0.22 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1i7x h LEU 468 Cb -0.05 -0.23 0.01 0.00 0.09 0.00 0.00 40.66 40.48 1i7x h LEU 468 CO -0.04 0.90 -0.28 -0.09 0.09 0.00 0.00 178.44 179.02 1i7x h ARG 469 N 0.82 -0.74 -0.72 1.13 2.43 -0.21 -1.51 114.38 115.57 1i7x h ARG 469 Ca 0.16 0.05 0.08 0.00 -0.81 0.00 0.00 59.98 59.46 1i7x h ARG 469 Cb 0.46 0.17 -0.07 0.00 -0.42 0.00 0.00 29.97 30.12 1i7x h ARG 469 CO 0.02 -0.49 0.38 0.45 -1.51 0.00 0.00 179.97 178.82 1i7x h HIS 470 N -0.79 0.68 0.00 2.20 3.86 -1.03 -1.05 115.15 119.01 1i7x h HIS 470 Ca -0.08 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.16 1i7x h HIS 470 Cb 0.60 -0.20 0.00 0.00 1.06 0.00 0.00 27.41 28.87 1i7x h HIS 470 CO -0.03 0.27 0.00 -0.07 0.86 0.00 0.00 177.93 178.96 1i7x h LEU 471 N 0.65 0.00 -3.79 2.43 3.38 -0.87 -3.18 115.31 113.93 1i7x h LEU 471 Ca 0.34 0.00 -0.46 0.00 0.09 0.00 0.00 57.88 57.86 1i7x h LEU 471 Cb 0.32 0.00 -0.26 0.00 0.09 0.00 0.00 40.66 40.82 1i7x h LEU 471 CO -0.24 0.00 0.36 0.35 0.09 0.00 0.00 178.44 179.00 1i7x n THR 472 N -2.33 3.05 -3.83 0.22 -2.24 -0.40 -4.52 114.28 104.23 1i7x n THR 472 Ca 0.01 -2.58 -0.06 0.00 -2.27 0.00 0.00 64.05 59.15 1i7x n THR 472 Cb 0.19 -0.62 0.01 0.00 -2.10 0.00 0.00 70.33 67.81 1i7x n THR 472 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1i7x s SER 473 N -1.97 -0.04 -0.87 3.42 1.04 -1.20 -4.78 113.70 109.29 1i7x s SER 473 Ca 0.55 -0.85 -0.04 0.00 0.48 0.00 0.00 55.95 56.08 1i7x s SER 473 Cb 0.46 0.68 0.01 0.00 0.10 0.00 0.00 66.02 67.27 1i7x s SER 473 CO 0.04 -1.34 0.07 0.54 0.98 0.00 0.00 173.24 173.54 1i7x n ARG 474 N -0.58 -0.89 -3.63 4.02 1.74 -1.26 -4.77 116.66 111.30 1i7x n ARG 474 Ca -0.06 0.01 -0.05 0.00 -0.77 0.00 0.00 57.85 56.98 1i7x n ARG 474 Cb 0.60 -1.90 -0.06 0.00 -1.02 0.00 0.00 32.46 30.08 1i7x n ARG 474 CO 0.00 0.00 0.00 -3.38 -1.52 0.00 0.00 177.63 172.73 1i7x s HIS 475 N -3.87 -0.17 0.08 -1.55 -3.43 -1.26 -4.67 115.29 100.41 1i7x s HIS 475 Ca 0.05 0.37 -0.16 0.00 -0.80 0.00 0.00 55.06 54.52 1i7x s HIS 475 Cb -0.03 0.46 -0.04 0.00 -1.43 0.00 0.00 32.58 31.55 1i7x s HIS 475 CO 0.58 -0.12 1.04 1.04 -2.00 0.00 0.00 174.74 175.29 1i7x n GLN 476 N 1.19 -0.22 0.00 -0.38 6.02 -1.26 -0.09 117.38 122.63 1i7x n GLN 476 Ca -0.07 1.03 0.03 0.00 -0.01 0.00 0.00 57.00 57.97 1i7x n GLN 476 Cb 0.58 -1.52 0.18 0.00 1.02 0.00 0.00 30.24 30.49 1i7x n GLN 476 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1i7x n GLU 477 N -4.23 0.59 0.23 -1.09 -0.58 -1.26 -3.66 120.64 110.65 1i7x n GLU 477 Ca 0.01 0.00 0.07 0.00 -0.42 0.00 0.00 57.16 56.82 1i7x n GLU 477 Cb 0.13 -1.16 0.55 0.00 -0.57 0.00 0.00 31.44 30.40 1i7x n GLU 477 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1i7x h ALA 478 N 2.50 1.55 0.43 0.62 0.00 -0.73 -0.39 119.26 123.24 1i7x h ALA 478 Ca 0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1i7x h ALA 478 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1i7x h ALA 478 CO 0.00 0.23 -0.21 1.49 0.00 0.00 0.00 179.25 180.76 1i7x h GLU 479 N 0.00 -0.56 -0.69 0.00 4.81 -1.76 -2.25 114.58 114.13 1i7x h GLU 479 Ca -0.00 0.04 0.12 0.00 -0.13 0.00 0.00 59.36 59.39 1i7x h GLU 479 Cb 0.36 0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.82 1i7x h GLU 479 CO 0.02 -0.26 0.46 1.98 -0.73 0.00 0.00 179.01 180.49 1i7x h MET 480 N -0.89 0.41 -0.05 1.92 4.05 -1.73 -1.68 114.93 116.96 1i7x h MET 480 Ca -0.06 -0.02 -0.00 0.00 -0.28 0.00 0.00 59.70 59.33 1i7x h MET 480 Cb 0.56 -0.09 -0.00 0.00 -0.80 0.00 0.00 31.60 31.27 1i7x h MET 480 CO 0.10 0.27 0.02 0.00 0.23 0.00 0.00 176.91 177.53 1i7x h ALA 481 N 1.67 0.07 -0.87 0.39 0.00 -0.91 0.28 119.26 119.89 1i7x h ALA 481 Ca 0.33 -0.10 0.19 0.00 0.00 0.00 0.00 54.91 55.33 1i7x h ALA 481 Cb 0.70 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.41 1i7x h ALA 481 CO -0.10 -0.34 0.58 1.96 0.00 0.00 0.00 179.25 181.35 1i7x h GLN 482 N -0.09 0.38 0.09 0.00 4.20 -0.70 -1.84 115.11 117.16 1i7x h GLN 482 Ca 0.02 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 1i7x h GLN 482 Cb 0.18 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.88 1i7x h GLN 482 CO -0.00 0.25 -0.04 -0.91 -0.67 0.00 0.00 178.83 177.46 1i7x h ASN 483 N 0.39 -0.10 -0.75 1.46 2.35 -1.20 -3.33 115.58 114.40 1i7x h ASN 483 Ca 0.44 -0.47 0.15 0.00 -0.55 0.00 0.00 56.30 55.87 1i7x h ASN 483 Cb 1.11 0.03 -0.14 0.00 0.05 0.00 0.00 38.32 39.37 1i7x h ASN 483 CO -0.16 0.54 -0.17 0.00 -1.65 0.00 0.00 177.43 176.00 1i7x h ALA 484 N -0.26 0.51 -0.56 -0.83 0.00 -0.28 0.28 119.26 118.12 1i7x h ALA 484 Ca -0.01 0.29 0.11 0.00 0.00 0.00 0.00 54.91 55.30 1i7x h ALA 484 Cb 0.57 0.56 -0.11 0.00 0.00 0.00 0.00 17.79 18.80 1i7x h ALA 484 CO 0.02 -0.41 -0.18 0.28 0.00 0.00 0.00 179.25 178.95 1i7x h VAL 485 N 0.01 0.37 -0.11 0.00 2.07 -1.48 0.13 116.25 117.23 1i7x h VAL 485 Ca 0.36 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.88 1i7x h VAL 485 Cb 0.56 0.37 -0.00 0.00 -1.52 0.00 0.00 31.29 30.69 1i7x h VAL 485 CO -0.76 0.00 0.05 -0.09 0.02 0.00 0.00 177.57 176.79 1i7x h ARG 486 N -0.05 0.17 0.00 1.57 2.43 -1.06 0.25 114.38 117.69 1i7x h ARG 486 Ca 0.27 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.41 1i7x h ARG 486 Cb 0.46 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 1i7x h ARG 486 CO -0.61 0.27 0.18 -0.07 -1.51 0.00 0.00 179.97 178.23 1i7x h LEU 487 N 0.03 0.00 -3.17 3.80 3.38 0.18 0.63 115.31 120.16 1i7x h LEU 487 Ca 0.04 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 1i7x h LEU 487 Cb 0.16 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 1i7x h LEU 487 CO -0.00 0.00 -0.12 1.41 0.09 0.00 0.00 178.44 179.82 1i7x n HIS 488 N -2.47 0.55 -3.61 1.13 8.25 0.20 -4.96 115.22 114.31 1i7x n HIS 488 Ca -0.02 -1.24 -0.23 0.00 -0.26 0.00 0.00 57.72 55.98 1i7x n HIS 488 Cb 0.22 -0.31 0.07 0.00 1.12 0.00 0.00 29.99 31.09 1i7x n HIS 488 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1i7x n TYR 489 N -1.06 -2.61 0.12 4.41 4.02 0.21 -4.91 117.16 117.35 1i7x n TYR 489 Ca 0.23 0.98 -0.24 0.00 -0.01 0.00 0.00 57.90 58.86 1i7x n TYR 489 Cb 0.83 -4.88 -0.15 0.00 -0.02 0.00 0.00 39.34 35.12 1i7x n TYR 489 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 1i7x h GLY 490 N -2.41 0.54 -0.25 2.72 0.00 -0.64 -3.39 103.07 99.65 1i7x h GLY 490 Ca -0.58 -1.39 0.07 0.00 0.00 0.00 0.00 47.33 45.44 1i7x h GLY 490 CO 0.56 1.21 -0.40 1.41 0.00 0.00 0.00 176.54 179.33 1i7x h LEU 491 N 0.13 -1.33 -0.55 3.11 3.38 -1.84 0.25 115.31 118.45 1i7x h LEU 491 Ca -0.28 0.21 0.09 0.00 0.09 0.00 0.00 57.88 57.99 1i7x h LEU 491 Cb 2.14 0.59 -0.11 0.00 0.09 0.00 0.00 40.66 43.37 1i7x h LEU 491 CO 0.24 -0.36 -0.39 -0.65 0.09 0.00 0.00 178.44 177.37 1i7x h PRO 492 N -0.31 -0.21 -0.42 1.13 0.11 -1.95 0.30 132.00 130.65 1i7x h PRO 492 Ca 0.15 0.01 -0.15 0.00 0.11 0.00 0.00 66.00 66.12 1i7x h PRO 492 Cb 0.58 0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.73 1i7x h PRO 492 CO -0.56 -0.14 -0.32 -0.24 -0.21 0.00 0.00 178.00 176.53 1i7x h VAL 493 N -0.22 1.27 0.11 3.15 3.04 -1.66 -2.00 116.25 119.94 1i7x h VAL 493 Ca 0.19 -1.49 0.02 0.00 -1.01 0.00 0.00 66.70 64.41 1i7x h VAL 493 Cb 0.56 1.30 -0.05 0.00 -2.01 0.00 0.00 31.29 31.09 1i7x h VAL 493 CO -0.66 0.50 -0.43 0.58 -1.01 0.00 0.00 177.57 176.55 1i7x h VAL 494 N 0.78 0.14 -0.45 1.51 2.07 0.56 -1.06 116.25 119.81 1i7x h VAL 494 Ca 0.08 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.68 1i7x h VAL 494 Cb 0.91 0.14 -0.07 0.00 -1.52 0.00 0.00 31.29 30.75 1i7x h VAL 494 CO 0.08 0.00 0.01 0.58 0.02 0.00 0.00 177.57 178.26 1i7x h VAL 495 N -0.66 0.66 -0.98 2.57 2.07 -0.97 -1.07 116.25 117.87 1i7x h VAL 495 Ca 0.02 -0.04 0.23 0.00 0.82 0.00 0.00 66.70 67.73 1i7x h VAL 495 Cb 0.69 0.53 -0.09 0.00 -1.52 0.00 0.00 31.29 30.90 1i7x h VAL 495 CO -0.25 0.02 0.63 0.50 0.02 0.00 0.00 177.57 178.49 1i7x h LYS 496 N 0.12 0.47 0.00 1.57 3.64 -0.52 0.26 116.57 122.11 1i7x h LYS 496 Ca 0.22 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 1i7x h LYS 496 Cb 0.32 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 1i7x h LYS 496 CO -0.37 0.31 0.00 1.28 -2.27 0.00 0.00 179.45 178.41 1i7x n LEU 497 N -4.62 0.25 0.07 5.20 4.77 -0.41 -1.58 117.00 120.69 1i7x n LEU 497 Ca 0.23 0.59 -0.06 0.00 -0.03 0.00 0.00 56.01 56.74 1i7x n LEU 497 Cb 0.74 -0.60 0.11 0.00 -2.33 0.00 0.00 43.42 41.34 1i7x n LEU 497 CO 0.26 -0.57 0.47 -0.07 -1.33 0.00 0.00 177.39 176.15 1i7x h LEU 498 N 0.00 0.34-10.26 2.23 3.38 -0.56 -3.43 115.31 107.01 1i7x h LEU 498 Ca 0.00 -0.19 -0.49 0.00 0.09 0.00 0.00 57.88 57.28 1i7x h LEU 498 Cb 0.12 -0.10 0.03 0.00 0.09 0.00 0.00 40.66 40.80 1i7x h LEU 498 CO 0.00 0.86 0.25 -1.00 0.09 0.00 0.00 178.44 178.64 1i7x s HIS 499 N -3.79 3.54 0.95 1.13 3.76 -0.61 -4.89 115.29 115.38 1i7x s HIS 499 Ca -0.05 1.13 -0.10 0.00 -0.15 0.00 0.00 55.06 55.89 1i7x s HIS 499 Cb 0.12 -2.55 0.17 0.00 1.11 0.00 0.00 32.58 31.43 1i7x s HIS 499 CO 0.81 -0.36 1.13 -2.14 -0.85 0.00 0.00 174.74 173.32 1i7x s PRO 500 N -4.50 0.70 0.00 8.40 0.02 -1.26 -2.94 135.00 135.42 1i7x s PRO 500 Ca 0.53 1.46 0.06 0.00 0.02 0.00 0.00 61.00 63.06 1i7x s PRO 500 Cb -0.10 -1.70 0.29 0.00 0.02 0.00 0.00 34.50 33.01 1i7x s PRO 500 CO 0.41 -2.82 1.03 -2.30 -0.33 0.00 0.00 177.00 172.99 1i7x n PRO 501 N -4.36 0.08 -1.34 5.54 -0.02 -1.26 -5.06 135.00 128.59 1i7x n PRO 501 Ca 0.11 0.23 -0.43 0.00 -2.02 0.00 0.00 63.50 61.38 1i7x n PRO 501 Cb 0.52 -1.50 -0.01 0.00 -0.02 0.00 0.00 33.50 32.50 1i7x n PRO 501 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1i7x n SER 502 N -1.28 -2.24 -4.89 2.55 7.64 -1.15 -4.98 113.62 109.26 1i7x n SER 502 Ca 0.03 0.90 -0.20 0.00 1.01 0.00 0.00 58.87 60.60 1i7x n SER 502 Cb 0.05 -0.93 -0.03 0.00 -1.01 0.00 0.00 64.21 62.29 1i7x n SER 502 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1i7x s HIS 503 N -1.50 2.84 0.17 1.43 3.76 -1.26 -4.92 115.29 115.80 1i7x s HIS 503 Ca 0.61 -0.38 -0.16 0.00 -0.15 0.00 0.00 55.06 54.98 1i7x s HIS 503 Cb -0.70 -2.02 0.11 0.00 1.11 0.00 0.00 32.58 31.08 1i7x s HIS 503 CO 0.61 -0.02 1.70 -1.49 -0.85 0.00 0.00 174.74 174.69 1i7x h TRP 504 N 1.06 -0.01 -0.95 1.40 -0.00 -1.91 0.30 115.95 115.83 1i7x h TRP 504 Ca -0.43 0.03 0.14 0.00 -0.00 0.00 0.00 58.89 58.63 1i7x h TRP 504 Cb 1.26 0.07 -0.08 0.00 -0.00 0.00 0.00 29.16 30.41 1i7x h TRP 504 CO 0.50 -0.07 0.60 -1.00 -0.00 0.00 0.00 178.44 178.47 1i7x h PRO 505 N 0.11 0.79 -0.02 0.49 0.13 -1.92 0.22 132.00 131.81 1i7x h PRO 505 Ca 0.20 -0.05 -0.19 0.00 -0.87 0.00 0.00 66.00 65.09 1i7x h PRO 505 Cb 0.28 -0.18 0.01 0.00 0.13 0.00 0.00 31.00 31.24 1i7x h PRO 505 CO -0.33 0.52 -0.72 1.25 -0.23 0.00 0.00 178.00 178.50 1i7x h LEU 506 N 0.82 0.67 -0.19 1.56 5.85 -1.67 -2.94 115.31 119.41 1i7x h LEU 506 Ca 0.49 -0.73 0.00 0.00 0.84 0.00 0.00 57.88 58.48 1i7x h LEU 506 Cb 0.67 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 1i7x h LEU 506 CO -0.25 1.31 0.12 0.40 -0.34 0.00 0.00 178.44 179.68 1i7x h ILE 507 N 0.09 1.05 -0.87 4.05 2.04 0.22 0.47 117.51 124.56 1i7x h ILE 507 Ca -0.08 -0.10 0.15 0.00 1.00 0.00 0.00 64.86 65.82 1i7x h ILE 507 Cb 1.41 0.78 -0.09 0.00 -0.74 0.00 0.00 36.82 38.17 1i7x h ILE 507 CO 0.14 0.05 0.47 0.50 0.00 0.00 0.00 178.15 179.31 1i7x h LYS 508 N 0.25 0.64 0.44 2.37 3.64 -0.65 0.51 116.57 123.77 1i7x h LYS 508 Ca 0.07 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.39 1i7x h LYS 508 Cb -0.02 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.66 1i7x h LYS 508 CO -0.01 0.42 -0.21 0.00 -2.27 0.00 0.00 179.45 177.38 1i7x h ALA 509 N 1.56 -0.59 -0.67 5.00 0.00 -1.16 -2.73 119.26 120.68 1i7x h ALA 509 Ca 0.48 -0.18 0.14 0.00 0.00 0.00 0.00 54.91 55.34 1i7x h ALA 509 Cb 0.67 0.23 -0.12 0.00 0.00 0.00 0.00 17.79 18.56 1i7x h ALA 509 CO -0.36 -0.63 -0.08 1.15 0.00 0.00 0.00 179.25 179.33 1i7x h THR 510 N -1.00 0.38 -0.35 0.00 2.02 0.62 -0.31 112.91 114.28 1i7x h THR 510 Ca -0.06 -0.02 0.07 0.00 0.77 0.00 0.00 66.41 67.17 1i7x h THR 510 Cb 0.56 0.32 -0.06 0.00 -1.74 0.00 0.00 68.15 67.23 1i7x h THR 510 CO 0.10 0.01 -0.06 0.58 0.37 0.00 0.00 175.52 176.52 1i7x h VAL 511 N 0.05 0.68 -0.93 3.16 2.07 -0.02 0.13 116.25 121.39 1i7x h VAL 511 Ca 0.34 -0.01 0.06 0.00 0.82 0.00 0.00 66.70 67.91 1i7x h VAL 511 Cb 0.55 0.65 -0.06 0.00 -1.52 0.00 0.00 31.29 30.90 1i7x h VAL 511 CO -0.63 0.01 0.60 1.23 0.02 0.00 0.00 177.57 178.79 1i7x h GLY 512 N 0.03 1.41 0.99 2.17 0.00 -0.78 -1.01 103.07 105.88 1i7x h GLY 512 Ca 0.17 -0.44 -0.05 0.00 0.00 0.00 0.00 47.33 47.01 1i7x h GLY 512 CO -0.33 0.32 0.15 -2.00 0.00 0.00 0.00 176.54 174.67 1i7x h LEU 513 N 1.10 0.82 -0.23 3.11 5.85 0.10 -2.35 115.31 123.70 1i7x h LEU 513 Ca 0.40 -0.22 0.01 0.00 0.84 0.00 0.00 57.88 58.91 1i7x h LEU 513 Cb 0.14 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 1i7x h LEU 513 CO -0.16 0.83 0.11 0.40 -0.34 0.00 0.00 178.44 179.28 1i7x h ILE 514 N 0.78 0.99 -0.51 4.05 2.04 -0.00 -0.83 117.51 124.02 1i7x h ILE 514 Ca 0.17 -0.08 0.08 0.00 1.00 0.00 0.00 64.86 66.03 1i7x h ILE 514 Cb 0.32 0.73 -0.07 0.00 -0.74 0.00 0.00 36.82 37.06 1i7x h ILE 514 CO -0.00 0.04 0.13 -0.09 0.00 0.00 0.00 178.15 178.23 1i7x h ARG 515 N 0.24 0.27 -0.14 2.37 2.43 -0.93 -0.67 114.38 117.95 1i7x h ARG 515 Ca 0.09 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.19 1i7x h ARG 515 Cb 0.02 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 1i7x h ARG 515 CO -0.06 0.18 -0.19 -0.91 -1.51 0.00 0.00 179.97 177.47 1i7x h ASN 516 N 0.28 0.22 0.92 -3.80 4.21 -0.99 -1.71 115.58 114.71 1i7x h ASN 516 Ca 0.26 -0.05 -0.04 0.00 1.21 0.00 0.00 56.30 57.67 1i7x h ASN 516 Cb 0.33 -0.06 -0.01 0.00 -1.12 0.00 0.00 38.32 37.46 1i7x h ASN 516 CO -0.31 0.43 -0.18 -0.07 -1.29 0.00 0.00 177.43 176.01 1i7x h LEU 517 N 0.21 0.00 -0.16 1.61 3.38 0.13 -2.74 115.31 117.73 1i7x h LEU 517 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1i7x h LEU 517 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1i7x h LEU 517 CO 0.03 0.18 0.00 0.00 0.09 0.00 0.00 178.44 178.74 1i7x h ALA 518 N 1.82 1.00 0.00 1.53 0.00 -0.22 -3.10 119.26 120.29 1i7x h ALA 518 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1i7x h ALA 518 Cb 0.69 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1i7x h ALA 518 CO 0.02 0.00 0.00 -0.07 0.00 0.00 0.00 179.25 179.20 1i7x h LEU 519 N 0.00 0.00 -8.95 0.00 3.38 -1.41 -3.38 115.31 104.96 1i7x h LEU 519 Ca 0.00 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 57.34 1i7x h LEU 519 Cb 0.89 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.49 1i7x h LEU 519 CO 0.00 0.00 -0.28 0.00 0.09 0.00 0.00 178.44 178.25 1i7x h PRO 521 N 8.14 0.84 0.00 0.00 0.13 -1.88 -1.64 132.00 137.59 1i7x h PRO 521 Ca -0.32 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1i7x h PRO 521 Cb 1.17 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 32.11 1i7x h PRO 521 CO 0.63 0.56 0.30 0.00 -0.23 0.00 0.00 178.00 179.26 1i7x h ALA 522 N 1.40 1.27 0.00 -0.56 0.00 -1.93 0.39 119.26 119.84 1i7x h ALA 522 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1i7x h ALA 522 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1i7x h ALA 522 CO -0.19 -0.27 -0.91 0.09 0.00 0.00 0.00 179.25 177.97 1i7x n ASN 523 N -2.67 0.77 0.08 0.00 3.02 -0.62 -4.51 115.26 111.34 1i7x n ASN 523 Ca -0.02 -0.65 -0.12 0.00 -0.03 0.00 0.00 54.58 53.76 1i7x n ASN 523 Cb 0.34 0.81 -0.05 0.00 -0.61 0.00 0.00 39.78 40.27 1i7x n ASN 523 CO 0.00 0.00 0.00 0.45 -2.62 0.00 0.00 177.26 175.09 1i7x h HIS 524 N 0.00 -0.72 0.89 3.10 3.86 -0.97 -1.44 115.15 119.88 1i7x h HIS 524 Ca 0.00 0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.19 1i7x h HIS 524 Cb 0.55 0.31 0.01 0.00 1.06 0.00 0.00 27.41 29.34 1i7x h HIS 524 CO 0.00 -0.36 -0.43 0.00 0.86 0.00 0.00 177.93 178.00 1i7x h ALA 525 N 0.33 -1.19 -0.69 2.45 0.00 -1.79 -2.86 119.26 115.52 1i7x h ALA 525 Ca 0.05 -0.26 0.12 0.00 0.00 0.00 0.00 54.91 54.82 1i7x h ALA 525 Cb 0.50 0.46 -0.13 0.00 0.00 0.00 0.00 17.79 18.62 1i7x h ALA 525 CO -0.20 -1.16 -0.30 -1.35 0.00 0.00 0.00 179.25 176.25 1i7x h PRO 526 N -1.22 -0.09 -0.81 0.00 0.11 -1.77 0.75 132.00 128.96 1i7x h PRO 526 Ca -0.12 0.01 0.07 0.00 0.11 0.00 0.00 66.00 66.06 1i7x h PRO 526 Cb 0.92 0.02 -0.05 0.00 0.11 0.00 0.00 31.00 32.00 1i7x h PRO 526 CO 0.20 -0.06 0.53 -0.07 -0.21 0.00 0.00 178.00 178.39 1i7x h LEU 527 N -0.09 0.77 0.42 2.35 3.38 -1.30 -0.35 115.31 120.50 1i7x h LEU 527 Ca 0.28 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.24 1i7x h LEU 527 Cb 0.56 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1i7x h LEU 527 CO -0.74 0.49 -0.20 -0.09 0.09 0.00 0.00 178.44 177.99 1i7x h ARG 528 N 0.87 -0.55 -1.05 1.13 2.43 -0.69 -0.39 114.38 116.14 1i7x h ARG 528 Ca 0.35 0.04 0.28 0.00 -0.81 0.00 0.00 59.98 59.83 1i7x h ARG 528 Cb 0.25 0.12 -0.11 0.00 -0.42 0.00 0.00 29.97 29.81 1i7x h ARG 528 CO -0.13 -0.24 0.65 0.93 -1.51 0.00 0.00 179.97 179.68 1i7x h GLU 529 N -0.94 0.41 0.00 0.20 5.08 -0.62 0.78 114.58 119.50 1i7x h GLU 529 Ca -0.06 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1i7x h GLU 529 Cb 0.56 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1i7x h GLU 529 CO 0.10 0.27 0.00 1.04 -1.00 0.00 0.00 179.01 179.42 1i7x n GLN 530 N -4.73 0.17 -0.10 2.33 1.13 -0.18 -4.88 117.38 111.12 1i7x n GLN 530 Ca 0.27 0.30 0.00 0.00 -1.94 0.00 0.00 57.00 55.63 1i7x n GLN 530 Cb 0.88 -1.77 0.00 0.00 0.11 0.00 0.00 30.24 29.47 1i7x n GLN 530 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1i7x n GLY 531 N 0.53 0.94 0.40 1.08 0.00 0.27 -4.91 105.19 103.51 1i7x n GLY 531 Ca 0.04 -0.07 -0.13 0.00 0.00 0.00 0.00 46.02 45.85 1i7x n GLY 531 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i7x h ALA 532 N 0.00 -0.65 0.16 4.61 0.00 -1.16 -3.09 119.26 119.12 1i7x h ALA 532 Ca 0.00 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.89 1i7x h ALA 532 Cb 0.00 0.74 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 1i7x h ALA 532 CO 0.00 -0.95 -0.40 0.82 0.00 0.00 0.00 179.25 178.72 1i7x h ILE 533 N -0.56 0.18 -0.63 0.00 2.04 -1.84 -0.76 117.51 115.94 1i7x h ILE 533 Ca 0.05 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.97 1i7x h ILE 533 Cb 0.65 0.18 -0.09 0.00 -0.74 0.00 0.00 36.82 36.82 1i7x h ILE 533 CO -0.32 0.00 -0.53 -0.65 0.00 0.00 0.00 178.15 176.65 1i7x h PRO 534 N -0.66 -0.18 -0.54 2.37 0.11 -1.91 -1.70 132.00 129.48 1i7x h PRO 534 Ca 0.01 0.01 -0.04 0.00 0.11 0.00 0.00 66.00 66.10 1i7x h PRO 534 Cb 0.67 0.04 -0.03 0.00 0.11 0.00 0.00 31.00 31.80 1i7x h PRO 534 CO -0.21 -0.12 0.18 -0.09 -0.21 0.00 0.00 178.00 177.55 1i7x h ARG 535 N -0.19 0.80 0.28 1.05 9.65 -1.46 -1.49 114.38 123.01 1i7x h ARG 535 Ca 0.10 -0.13 0.00 0.00 -1.10 0.00 0.00 59.98 58.85 1i7x h ARG 535 Cb 0.46 -0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 28.89 1i7x h ARG 535 CO -0.70 0.68 -0.30 -0.07 2.80 0.00 0.00 179.97 182.39 1i7x h LEU 536 N 0.78 -0.81 -0.48 3.80 3.38 -0.28 0.39 115.31 122.09 1i7x h LEU 536 Ca 0.18 0.07 0.05 0.00 0.09 0.00 0.00 57.88 58.28 1i7x h LEU 536 Cb 0.21 0.28 -0.05 0.00 0.09 0.00 0.00 40.66 41.19 1i7x h LEU 536 CO -0.01 -0.42 0.21 0.58 0.09 0.00 0.00 178.44 178.89 1i7x h VAL 537 N -0.61 0.91 -0.99 1.22 2.07 -1.22 -0.34 116.25 117.28 1i7x h VAL 537 Ca -0.01 -0.14 0.16 0.00 0.82 0.00 0.00 66.70 67.53 1i7x h VAL 537 Cb 0.57 0.45 -0.10 0.00 -1.52 0.00 0.00 31.29 30.69 1i7x h VAL 537 CO -0.07 0.08 0.60 -0.61 0.02 0.00 0.00 177.57 177.58 1i7x h GLN 538 N 0.42 0.80 -0.03 1.57 4.15 -0.69 -1.35 115.11 119.98 1i7x h GLN 538 Ca 0.22 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.58 1i7x h GLN 538 Cb 0.17 -0.18 -0.00 0.00 0.21 0.00 0.00 27.48 27.68 1i7x h GLN 538 CO -0.19 0.53 -0.02 -0.07 -1.93 0.00 0.00 178.83 177.15 1i7x h LEU 539 N 0.83 0.08 -1.69 -2.39 3.38 0.26 -2.97 115.31 112.80 1i7x h LEU 539 Ca 0.54 -0.45 0.27 0.00 0.09 0.00 0.00 57.88 58.32 1i7x h LEU 539 Cb 0.73 -0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.40 1i7x h LEU 539 CO -0.34 0.51 0.68 0.25 0.09 0.00 0.00 178.44 179.64 1i7x h LEU 540 N -0.36 0.23 0.41 1.67 5.85 -0.06 0.31 115.31 123.35 1i7x h LEU 540 Ca 0.01 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 1i7x h LEU 540 Cb 0.49 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.52 1i7x h LEU 540 CO 0.01 0.06 -0.20 0.58 -0.34 0.00 0.00 178.44 178.55 1i7x h VAL 541 N 0.21 0.06 -0.81 1.05 2.07 -1.25 0.19 116.25 117.77 1i7x h VAL 541 Ca 0.52 -0.61 0.10 0.00 0.82 0.00 0.00 66.70 67.52 1i7x h VAL 541 Cb 1.64 0.09 -0.08 0.00 -1.52 0.00 0.00 31.29 31.43 1i7x h VAL 541 CO -0.14 0.01 0.45 -0.09 0.02 0.00 0.00 177.57 177.83 1i7x h ARG 542 N -1.13 0.72 -0.41 1.57 9.65 -1.28 -0.09 114.38 123.41 1i7x h ARG 542 Ca -0.06 -0.04 0.02 0.00 -1.10 0.00 0.00 59.98 58.80 1i7x h ARG 542 Cb 0.44 -0.16 -0.03 0.00 -1.39 0.00 0.00 29.97 28.83 1i7x h ARG 542 CO 0.09 0.48 0.24 0.00 2.80 0.00 0.00 179.97 183.58 1i7x h ALA 543 N 1.47 0.52 -0.02 2.80 0.00 -0.45 -3.13 119.26 120.45 1i7x h ALA 543 Ca 0.40 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.30 1i7x h ALA 543 Cb 0.40 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1i7x h ALA 543 CO -0.27 -0.09 -0.01 1.25 0.00 0.00 0.00 179.25 180.13 1i7x h HIS 544 N 0.48 0.05 0.00 0.00 -0.00 0.31 -2.95 115.15 113.06 1i7x h HIS 544 Ca 0.17 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.52 1i7x h HIS 544 Cb 0.02 -0.01 0.00 0.00 -0.00 0.00 0.00 27.41 27.41 1i7x h HIS 544 CO -0.07 0.42 0.44 1.96 -0.00 0.00 0.00 177.93 180.67 1i7x h GLN 545 N -0.33 0.00 0.00 5.26 4.20 -1.02 0.37 115.11 123.59 1i7x h GLN 545 Ca 0.01 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.68 1i7x h GLN 545 Cb 0.41 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.18 1i7x h GLN 545 CO 0.00 0.00 -1.59 -0.25 -0.67 0.00 0.00 178.83 176.32 1i7x n ASP 546 N -2.45 0.40 -1.52 1.46 9.92 -1.12 -3.76 116.55 119.48 1i7x n ASP 546 Ca -0.01 0.16 -0.06 0.00 -0.53 0.00 0.00 54.79 54.35 1i7x n ASP 546 Cb 0.46 1.19 0.02 0.00 -0.64 0.00 0.00 41.12 42.15 1i7x n ASP 546 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 1i7x n THR 547 N -2.50 2.03 0.00 -3.53 -2.24 0.13 -3.87 114.28 104.31 1i7x n THR 547 Ca -0.05 -0.76 0.00 0.00 -2.27 0.00 0.00 64.05 60.98 1i7x n THR 547 Cb 0.62 -1.29 0.00 0.00 -2.10 0.00 0.00 70.33 67.56 1i7x n THR 547 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1i7x n GLN 548 N 0.84 0.00 -0.16 -0.78 6.02 -1.25 -5.07 117.38 116.98 1i7x n GLN 548 Ca 0.11 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.99 1i7x n GLN 548 Cb 0.58 0.00 -0.00 0.00 1.02 0.00 0.00 30.24 31.83 1i7x n GLN 548 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1i7x h ARG 549 N 0.00 0.95 -5.02 -1.09 3.08 -1.67 -3.53 114.38 107.09 1i7x h ARG 549 Ca 0.00 -0.39 -0.06 0.00 0.07 0.00 0.00 59.98 59.60 1i7x h ARG 549 Cb 0.00 -0.04 0.02 0.00 0.08 0.00 0.00 29.97 30.03 1i7x h ARG 549 CO 0.00 1.05 0.67 1.19 -1.07 0.00 0.00 179.97 181.82 1i7x n PHE 560 N -4.18 0.26 -3.18 3.04 3.01 -1.26 -5.09 117.46 110.06 1i7x n PHE 560 Ca -0.00 -0.10 -0.39 0.00 1.01 0.00 0.00 57.45 57.97 1i7x n PHE 560 Cb 0.43 -1.11 -0.06 0.00 -0.01 0.00 0.00 39.48 38.72 1i7x n PHE 560 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1i7x s VAL 561 N 6.28 4.77 -1.30 -4.37 1.01 -0.97 -3.81 120.40 122.00 1i7x s VAL 561 Ca 0.31 1.33 0.00 0.00 0.00 0.00 0.00 61.98 63.62 1i7x s VAL 561 Cb 0.00 -3.96 0.00 0.00 0.00 0.00 0.00 36.38 32.42 1i7x s VAL 561 CO 0.09 0.47 0.00 -0.62 0.00 0.00 0.00 175.10 175.04 1i7x n GLU 562 N 2.25 -1.70 0.00 2.72 1.02 -1.26 -1.78 120.64 121.89 1i7x n GLU 562 Ca -0.07 0.73 0.00 0.00 -0.02 0.00 0.00 57.16 57.79 1i7x n GLU 562 Cb 0.51 -5.15 0.00 0.00 -0.02 0.00 0.00 31.44 26.78 1i7x n GLU 562 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1i7x n GLY 563 N -0.52 2.70 3.76 0.62 0.00 -1.25 -4.43 105.19 106.07 1i7x n GLY 563 Ca -0.15 -0.33 -0.39 0.00 0.00 0.00 0.00 46.02 45.15 1i7x n GLY 563 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i7x s VAL 564 N -1.44 4.74 -0.20 1.61 1.01 -0.73 -4.92 120.40 120.47 1i7x s VAL 564 Ca 0.00 1.46 -0.21 0.00 0.00 0.00 0.00 61.98 63.23 1i7x s VAL 564 Cb 0.00 -4.03 -0.02 0.00 0.00 0.00 0.00 36.38 32.33 1i7x s VAL 564 CO 0.00 0.43 0.64 0.00 0.00 0.00 0.00 175.10 176.17 1i7x s ARG 565 N -0.39 4.21 0.49 2.72 1.70 -1.26 -2.30 118.95 124.11 1i7x s ARG 565 Ca 0.34 0.64 0.30 0.00 -0.47 0.00 0.00 55.73 56.54 1i7x s ARG 565 Cb -0.20 -3.58 1.40 0.00 -0.57 0.00 0.00 34.95 32.00 1i7x s ARG 565 CO 0.21 -0.26 1.77 0.52 -1.08 0.00 0.00 175.30 176.46 1i7x h MET 566 N 7.50 0.14 -0.83 3.89 2.86 -1.92 0.65 114.93 127.22 1i7x h MET 566 Ca -0.31 -0.01 0.20 0.00 -2.06 0.00 0.00 59.70 57.53 1i7x h MET 566 Cb 1.14 -0.03 -0.05 0.00 0.06 0.00 0.00 31.60 32.72 1i7x h MET 566 CO 0.78 0.09 0.57 0.93 1.06 0.00 0.00 176.91 180.34 1i7x h GLU 567 N 0.14 0.24 -0.17 1.72 3.07 -1.93 0.26 114.58 117.91 1i7x h GLU 567 Ca 0.61 -0.01 -0.13 0.00 -0.50 0.00 0.00 59.36 59.33 1i7x h GLU 567 Cb 2.10 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 29.95 1i7x h GLU 567 CO -0.14 0.16 -0.39 0.93 -1.40 0.00 0.00 179.01 178.17 1i7x h GLU 568 N 0.25 0.56 -0.93 2.33 5.08 -1.27 -1.73 114.58 118.87 1i7x h GLU 568 Ca 0.42 -0.38 0.08 0.00 -1.00 0.00 0.00 59.36 58.47 1i7x h GLU 568 Cb 1.25 0.05 -0.07 0.00 0.50 0.00 0.00 28.75 30.48 1i7x h GLU 568 CO -0.10 0.99 0.58 0.82 -1.00 0.00 0.00 179.01 180.30 1i7x h ILE 569 N 0.22 1.02 0.75 3.13 1.08 -0.63 1.13 117.51 124.21 1i7x h ILE 569 Ca 0.00 -0.35 -0.04 0.00 -0.39 0.00 0.00 64.86 64.08 1i7x h ILE 569 Cb 0.99 -0.10 0.01 0.00 -3.07 0.00 0.00 36.82 34.65 1i7x h ILE 569 CO 0.09 0.19 -0.36 0.58 -0.69 0.00 0.00 178.15 177.95 1i7x h VAL 570 N 1.03 0.15 -0.19 1.67 2.07 -0.92 0.25 116.25 120.31 1i7x h VAL 570 Ca 0.42 -0.17 0.05 0.00 0.82 0.00 0.00 66.70 67.82 1i7x h VAL 570 Cb 0.24 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.19 1i7x h VAL 570 CO -0.20 0.01 0.16 -0.08 0.02 0.00 0.00 177.57 177.48 1i7x h GLU 571 N -1.16 0.00 0.21 1.57 4.81 -0.93 -2.14 114.58 116.94 1i7x h GLU 571 Ca -0.10 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.12 1i7x h GLU 571 Cb 0.79 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.18 1i7x h GLU 571 CO 0.17 0.00 -0.10 0.78 -0.73 0.00 0.00 179.01 179.13 1i7x h GLY 572 N 0.00 -0.30 0.36 1.92 0.00 0.18 -2.08 103.07 103.15 1i7x h GLY 572 Ca 0.09 0.11 -0.01 0.00 0.00 0.00 0.00 47.33 47.52 1i7x h GLY 572 CO -0.00 -0.11 -0.45 0.00 0.00 0.00 0.00 176.54 175.98 1i7x h THR 574 N -0.83 0.65 -0.57 0.00 1.35 -1.57 0.32 112.91 112.26 1i7x h THR 574 Ca -0.04 -0.20 0.10 0.00 -0.55 0.00 0.00 66.41 65.72 1i7x h THR 574 Cb 0.74 0.02 -0.08 0.00 -1.73 0.00 0.00 68.15 67.10 1i7x h THR 574 CO -0.11 0.11 0.13 1.23 -0.25 0.00 0.00 175.52 176.63 1i7x h GLY 575 N 0.58 0.73 0.51 5.82 0.00 -0.61 0.42 103.07 110.52 1i7x h GLY 575 Ca 0.51 -0.03 -0.02 0.00 0.00 0.00 0.00 47.33 47.78 1i7x h GLY 575 CO -0.41 -0.09 -0.24 0.00 0.00 0.00 0.00 176.54 175.79 1i7x h ALA 576 N 1.45 -1.01 -0.94 3.60 0.00 0.89 -2.90 119.26 120.34 1i7x h ALA 576 Ca 0.30 -0.15 0.39 0.00 0.00 0.00 0.00 54.91 55.45 1i7x h ALA 576 Cb 0.42 0.26 -0.17 0.00 0.00 0.00 0.00 17.79 18.31 1i7x h ALA 576 CO -0.37 -0.96 0.50 1.28 0.00 0.00 0.00 179.25 179.69 1i7x n LEU 577 N -4.11 0.32 -0.01 0.00 4.77 0.20 0.91 117.00 119.08 1i7x n LEU 577 Ca -0.08 1.57 -0.10 0.00 -0.03 0.00 0.00 56.01 57.36 1i7x n LEU 577 Cb 0.27 -0.76 -0.03 0.00 -2.33 0.00 0.00 43.42 40.56 1i7x n LEU 577 CO 0.20 -1.75 0.66 -0.74 -1.33 0.00 0.00 177.39 174.43 1i7x h HIS 578 N 0.00 -0.83 -0.38 -1.77 2.76 0.04 0.59 115.15 115.56 1i7x h HIS 578 Ca 0.80 0.04 -0.12 0.00 -2.20 0.00 0.00 60.37 58.88 1i7x h HIS 578 Cb 2.10 0.39 -0.01 0.00 1.55 0.00 0.00 27.41 31.43 1i7x h HIS 578 CO -0.02 -0.38 -0.25 0.82 -1.30 0.00 0.00 177.93 176.80 1i7x h ILE 579 N -0.36 1.27 -0.44 6.26 1.08 0.59 -2.64 117.51 123.28 1i7x h ILE 579 Ca 0.11 -1.37 -0.07 0.00 -0.39 0.00 0.00 64.86 63.14 1i7x h ILE 579 Cb 0.52 1.25 -0.02 0.00 -3.07 0.00 0.00 36.82 35.50 1i7x h ILE 579 CO -0.36 0.46 -0.00 -0.07 -0.69 0.00 0.00 178.15 177.48 1i7x h LEU 580 N 0.67 0.69 -1.76 1.44 3.38 -0.70 -2.43 115.31 116.60 1i7x h LEU 580 Ca 0.09 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1i7x h LEU 580 Cb 0.76 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1i7x h LEU 580 CO 0.06 0.76 0.41 0.00 0.09 0.00 0.00 178.44 179.76 1i7x h ALA 581 N 1.32 1.40 0.00 1.53 0.00 0.56 -0.91 119.26 123.16 1i7x h ALA 581 Ca 0.13 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1i7x h ALA 581 Cb 0.42 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1i7x h ALA 581 CO 0.02 -0.40 -0.00 0.00 0.00 0.00 0.00 179.25 178.86 1i7x h ARG 582 N 0.00 0.00 -5.31 0.00 3.08 -1.51 -3.40 114.38 107.24 1i7x h ARG 582 Ca 0.00 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.45 1i7x h ARG 582 Cb 0.81 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 30.74 1i7x h ARG 582 CO 0.00 0.00 -0.36 0.34 -1.07 0.00 0.00 179.97 178.88 1i7x s ASP 583 N -5.69 6.30 0.13 7.04 -1.08 -0.35 -5.01 116.67 118.02 1i7x s ASP 583 Ca -0.05 0.35 -0.30 0.00 -0.52 0.00 0.00 52.55 52.03 1i7x s ASP 583 Cb 0.14 -2.16 -0.09 0.00 -1.46 0.00 0.00 42.92 39.35 1i7x s ASP 583 CO 0.49 0.04 1.51 0.58 0.52 0.00 0.00 175.17 178.31 1i7x h VAL 584 N 4.90 0.00 -0.91 1.11 2.07 -1.88 0.46 116.25 122.00 1i7x h VAL 584 Ca -0.38 0.00 0.23 0.00 0.82 0.00 0.00 66.70 67.36 1i7x h VAL 584 Cb 1.16 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.87 1i7x h VAL 584 CO 0.71 0.00 0.62 0.45 0.02 0.00 0.00 177.57 179.37 1i7x h HIS 585 N -0.23 0.39 0.11 1.57 3.86 -1.95 -0.68 115.15 118.23 1i7x h HIS 585 Ca 0.10 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.32 1i7x h HIS 585 Cb 0.49 -0.12 0.00 0.00 1.06 0.00 0.00 27.41 28.84 1i7x h HIS 585 CO -0.84 0.09 -0.06 -0.91 0.86 0.00 0.00 177.93 177.08 1i7x h ASN 586 N 0.28 -0.13 -0.92 2.45 2.35 -1.25 -2.43 115.58 115.93 1i7x h ASN 586 Ca 0.47 -0.39 0.16 0.00 -0.55 0.00 0.00 56.30 55.99 1i7x h ASN 586 Cb 1.37 0.03 -0.16 0.00 0.05 0.00 0.00 38.32 39.61 1i7x h ASN 586 CO -0.14 0.36 -0.32 0.03 -1.65 0.00 0.00 177.43 175.70 1i7x h ARG 587 N -0.66 -0.02 -0.27 0.81 3.08 -0.01 1.43 114.38 118.73 1i7x h ARG 587 Ca -0.02 0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.10 1i7x h ARG 587 Cb 0.51 0.01 -0.08 0.00 0.08 0.00 0.00 29.97 30.49 1i7x h ARG 587 CO 0.03 -0.01 -0.37 0.82 -1.07 0.00 0.00 179.97 179.36 1i7x h ILE 588 N -0.02 0.20 -0.61 2.04 2.04 -1.35 0.30 117.51 120.11 1i7x h ILE 588 Ca 0.37 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.20 1i7x h ILE 588 Cb 0.62 0.20 -0.03 0.00 -0.74 0.00 0.00 36.82 36.87 1i7x h ILE 588 CO -0.94 0.00 0.28 0.58 0.00 0.00 0.00 178.15 178.07 1i7x h VAL 589 N -0.36 1.20 0.61 1.67 2.07 0.65 1.32 116.25 123.41 1i7x h VAL 589 Ca 0.12 -0.59 -0.03 0.00 0.82 0.00 0.00 66.70 67.02 1i7x h VAL 589 Cb 0.57 0.44 0.01 0.00 -1.52 0.00 0.00 31.29 30.78 1i7x h VAL 589 CO -0.47 0.24 -0.30 0.40 0.02 0.00 0.00 177.57 177.47 1i7x h ILE 590 N 0.86 0.00 0.00 4.57 2.04 0.33 -2.88 117.51 122.44 1i7x h ILE 590 Ca 0.21 -0.09 -0.07 0.00 1.00 0.00 0.00 64.86 65.91 1i7x h ILE 590 Cb 0.11 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.18 1i7x h ILE 590 CO -0.03 0.00 -0.33 0.08 0.00 0.00 0.00 178.15 177.88 1i7x h ARG 591 N -0.91 0.00 0.00 2.37 0.11 -0.43 -2.11 114.38 113.40 1i7x h ARG 591 Ca -0.08 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.00 1i7x h ARG 591 Cb 0.63 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.71 1i7x h ARG 591 CO 0.14 0.33 0.04 0.41 0.10 0.00 0.00 179.97 180.98 1i7x n GLY 592 N -0.43 -0.44 0.72 0.08 0.00 0.45 0.13 105.19 105.70 1i7x n GLY 592 Ca -0.02 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.07 1i7x n GLY 592 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1i7x n LEU 593 N -1.44 2.92 -2.98 0.99 4.77 -0.79 -4.99 117.00 115.48 1i7x n LEU 593 Ca 0.00 -1.82 -0.14 0.00 -0.03 0.00 0.00 56.01 54.02 1i7x n LEU 593 Cb 0.04 -0.23 0.01 0.00 -2.33 0.00 0.00 43.42 40.92 1i7x n LEU 593 CO 0.00 0.71 -0.06 -3.20 -1.33 0.00 0.00 177.39 173.50 1i7x n ASN 594 N 0.71 -7.46 -0.05 -1.43 5.15 0.35 -4.97 115.26 107.56 1i7x n ASN 594 Ca 0.13 0.46 -0.06 0.00 -0.60 0.00 0.00 54.58 54.51 1i7x n ASN 594 Cb 0.44 -4.59 -0.08 0.00 -0.53 0.00 0.00 39.78 35.01 1i7x n ASN 594 CO 0.00 0.00 0.00 0.41 1.40 0.00 0.00 177.26 179.07 1i7x n THR 595 N -0.18 0.74 -0.36 -0.44 -1.04 -1.26 -4.60 114.28 107.15 1i7x n THR 595 Ca 0.07 -0.45 0.26 0.00 -2.04 0.00 0.00 64.05 61.88 1i7x n THR 595 Cb 0.47 -0.72 0.51 0.00 -1.82 0.00 0.00 70.33 68.78 1i7x n THR 595 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 1i7x h ILE 596 N 0.00 0.36 -0.55 12.58 2.04 -1.89 0.74 117.51 130.79 1i7x h ILE 596 Ca -0.29 -0.11 0.12 0.00 1.00 0.00 0.00 64.86 65.57 1i7x h ILE 596 Cb 1.66 0.01 -0.03 0.00 -0.74 0.00 0.00 36.82 37.72 1i7x h ILE 596 CO 0.01 0.06 0.38 -0.65 0.00 0.00 0.00 178.15 177.95 1i7x h PRO 597 N 0.33 0.23 0.00 2.37 0.11 -1.94 -2.88 132.00 130.21 1i7x h PRO 597 Ca 0.70 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.79 1i7x h PRO 597 Cb 1.77 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.82 1i7x h PRO 597 CO -0.45 0.15 -0.35 1.25 -0.21 0.00 0.00 178.00 178.40 1i7x h LEU 598 N 0.23 0.00 -0.65 2.35 5.85 0.13 -3.34 115.31 119.88 1i7x h LEU 598 Ca 0.26 -0.02 0.06 0.00 0.84 0.00 0.00 57.88 59.02 1i7x h LEU 598 Cb 0.71 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 41.67 1i7x h LEU 598 CO -0.05 0.68 -0.39 0.49 -0.34 0.00 0.00 178.44 178.84 1i7x n PHE 599 N -4.67 -0.29 -0.20 1.25 3.72 -0.42 0.07 117.46 116.92 1i7x n PHE 599 Ca -0.05 0.82 -0.01 0.00 -0.05 0.00 0.00 57.45 58.16 1i7x n PHE 599 Cb 0.18 -0.53 0.10 0.00 -0.94 0.00 0.00 39.48 38.29 1i7x n PHE 599 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 1i7x h VAL 600 N 0.00 0.83 0.00 -4.37 2.07 -1.75 0.27 116.25 113.30 1i7x h VAL 600 Ca 0.10 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.46 1i7x h VAL 600 Cb 0.27 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.35 1i7x h VAL 600 CO -0.61 0.09 0.00 1.67 0.02 0.00 0.00 177.57 178.73 1i7x n GLN 601 N -4.94 0.08 -0.01 1.57 7.27 0.11 -0.41 117.38 121.06 1i7x n GLN 601 Ca 0.08 0.55 0.14 0.00 0.07 0.00 0.00 57.00 57.84 1i7x n GLN 601 Cb 0.24 -1.75 0.64 0.00 2.41 0.00 0.00 30.24 31.78 1i7x n GLN 601 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 1i7x n LEU 602 N -1.92 0.98 0.06 1.69 4.77 0.93 -2.44 117.00 121.07 1i7x n LEU 602 Ca -0.00 -0.34 0.12 0.00 -0.03 0.00 0.00 56.01 55.76 1i7x n LEU 602 Cb 0.04 -0.01 0.27 0.00 -2.33 0.00 0.00 43.42 41.39 1i7x n LEU 602 CO 0.07 0.17 0.54 0.18 -1.33 0.00 0.00 177.39 177.02 1i7x n LEU 603 N -0.22 0.65 -2.43 2.23 4.77 0.45 -3.58 117.00 118.88 1i7x n LEU 603 Ca 0.20 0.31 -0.26 0.00 -0.03 0.00 0.00 56.01 56.23 1i7x n LEU 603 Cb 0.26 -0.25 -0.04 0.00 -2.33 0.00 0.00 43.42 41.07 1i7x n LEU 603 CO 0.16 -0.06 1.53 -1.22 -1.33 0.00 0.00 177.39 176.47 1i7x n TYR 604 N -2.03 1.70 -4.19 -1.77 4.02 -1.02 -4.84 117.16 109.02 1i7x n TYR 604 Ca 0.04 -1.99 -0.17 0.00 -0.01 0.00 0.00 57.90 55.77 1i7x n TYR 604 Cb 0.42 -1.32 -0.15 0.00 -0.02 0.00 0.00 39.34 38.27 1i7x n TYR 604 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1i7x s SER 605 N 0.20 0.73 0.17 7.72 0.15 -1.23 -5.04 113.70 116.40 1i7x s SER 605 Ca 0.55 -0.11 0.05 0.00 0.70 0.00 0.00 55.95 57.14 1i7x s SER 605 Cb 0.37 -0.14 0.01 0.00 -1.71 0.00 0.00 66.02 64.55 1i7x s SER 605 CO -0.20 0.05 1.39 1.55 1.20 0.00 0.00 173.24 177.23 1i7x h PRO 606 N 6.23 0.12 -5.38 5.44 0.13 -1.92 -3.44 132.00 133.18 1i7x h PRO 606 Ca -0.31 -0.14 -0.25 0.00 -0.87 0.00 0.00 66.00 64.43 1i7x h PRO 606 Cb 1.18 0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 1i7x h PRO 606 CO 0.50 0.91 0.96 -0.89 -0.23 0.00 0.00 178.00 179.25 1i7x n ILE 607 N -3.62 -0.03 0.07 -3.56 5.41 -1.26 -4.77 119.36 111.60 1i7x n ILE 607 Ca -0.03 -0.58 0.17 0.00 1.00 0.00 0.00 62.75 63.32 1i7x n ILE 607 Cb 0.81 -2.01 0.41 0.00 -0.71 0.00 0.00 39.64 38.14 1i7x n ILE 607 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 1i7x h GLU 608 N 15.18 0.00 0.11 0.38 5.08 -2.00 0.26 114.58 133.59 1i7x h GLU 608 Ca -0.09 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 57.96 1i7x h GLU 608 Cb 1.14 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 1i7x h GLU 608 CO 1.15 0.00 -1.62 -0.91 -1.00 0.00 0.00 179.01 176.64 1i7x h ASN 609 N 0.00 0.36 -0.41 1.42 4.21 -1.96 -2.93 115.58 116.27 1i7x h ASN 609 Ca 0.23 -0.85 0.04 0.00 1.21 0.00 0.00 56.30 56.93 1i7x h ASN 609 Cb 2.05 -0.12 -0.02 0.00 -1.12 0.00 0.00 38.32 39.11 1i7x h ASN 609 CO -0.00 1.70 0.28 0.40 -1.29 0.00 0.00 177.43 178.51 1i7x h ILE 610 N -0.24 1.02 0.00 2.81 2.04 -0.91 -2.52 117.51 119.71 1i7x h ILE 610 Ca -0.35 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.36 1i7x h ILE 610 Cb 1.82 0.56 0.00 0.00 -0.74 0.00 0.00 36.82 38.46 1i7x h ILE 610 CO 0.04 0.08 0.00 0.00 0.00 0.00 0.00 178.15 178.27 1i7x n GLN 611 N -4.48 0.00 -0.16 2.37 6.02 -0.58 -2.71 117.38 117.84 1i7x n GLN 611 Ca 0.04 0.44 0.07 0.00 -0.01 0.00 0.00 57.00 57.55 1i7x n GLN 611 Cb 0.17 -1.40 0.14 0.00 1.02 0.00 0.00 30.24 30.18 1i7x n GLN 611 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 1i7x n ARG 612 N -1.82 -0.04 0.03 -1.09 0.63 -0.97 0.86 116.66 114.25 1i7x n ARG 612 Ca 0.00 0.68 -0.17 0.00 -0.92 0.00 0.00 57.85 57.44 1i7x n ARG 612 Cb 0.00 -1.09 -0.07 0.00 0.45 0.00 0.00 32.46 31.75 1i7x n ARG 612 CO 0.00 0.00 0.00 -0.39 -2.51 0.00 0.00 177.63 174.73 1i7x h VAL 613 N 0.00 1.31 -0.84 5.15 -1.51 -1.53 -2.48 116.25 116.35 1i7x h VAL 613 Ca 0.28 -2.20 0.05 0.00 -1.23 0.00 0.00 66.70 63.60 1i7x h VAL 613 Cb 0.59 2.26 -0.05 0.00 -2.13 0.00 0.00 31.29 31.95 1i7x h VAL 613 CO -0.43 0.68 0.55 0.00 -1.23 0.00 0.00 177.57 177.14 1i7x h ALA 614 N 0.56 1.54 -0.21 5.19 0.00 0.67 0.20 119.26 127.21 1i7x h ALA 614 Ca -0.09 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.64 1i7x h ALA 614 Cb 1.56 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 1i7x h ALA 614 CO 0.18 0.36 -0.48 0.00 0.00 0.00 0.00 179.25 179.31 1i7x h ALA 615 N 1.53 0.78 -0.06 0.00 0.00 -1.41 -2.73 119.26 117.38 1i7x h ALA 615 Ca 0.35 -0.48 -0.13 0.00 0.00 0.00 0.00 54.91 54.66 1i7x h ALA 615 Cb 0.13 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1i7x h ALA 615 CO -0.12 0.67 -0.54 0.78 0.00 0.00 0.00 179.25 180.04 1i7x h GLY 616 N 1.07 0.18 0.79 0.00 0.00 -0.57 0.72 103.07 105.27 1i7x h GLY 616 Ca 0.02 -0.21 -0.03 0.00 0.00 0.00 0.00 47.33 47.12 1i7x h GLY 616 CO 0.09 0.18 -0.01 -2.08 0.00 0.00 0.00 176.54 174.73 1i7x h VAL 617 N 0.13 1.26 0.39 4.60 2.07 -0.59 -2.10 116.25 122.01 1i7x h VAL 617 Ca 0.00 -0.87 -0.02 0.00 0.82 0.00 0.00 66.70 66.63 1i7x h VAL 617 Cb 0.99 1.51 0.00 0.00 -1.52 0.00 0.00 31.29 32.28 1i7x h VAL 617 CO 0.08 0.26 -0.19 -0.07 0.02 0.00 0.00 177.57 177.67 1i7x h LEU 618 N 0.03 -0.44 -1.71 2.57 3.38 -1.37 0.71 115.31 118.47 1i7x h LEU 618 Ca 0.05 -0.12 0.41 0.00 0.09 0.00 0.00 57.88 58.30 1i7x h LEU 618 Cb 0.39 0.11 -0.06 0.00 0.09 0.00 0.00 40.66 41.20 1i7x h LEU 618 CO 0.01 -0.10 1.16 0.00 0.09 0.00 0.00 178.44 179.60 1i7x n GLU 620 N -3.76 0.71 0.07 0.00 -0.58 -0.79 -4.05 120.64 112.24 1i7x n GLU 620 Ca 0.31 0.28 -0.10 0.00 -0.42 0.00 0.00 57.16 57.23 1i7x n GLU 620 Cb 1.60 -1.67 0.02 0.00 -0.57 0.00 0.00 31.44 30.81 1i7x n GLU 620 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1i7x h LEU 621 N -0.10 0.41 -0.04 -4.62 3.38 0.64 -3.01 115.31 111.96 1i7x h LEU 621 Ca -0.45 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.22 1i7x h LEU 621 Cb 1.91 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 42.54 1i7x h LEU 621 CO 0.00 1.05 0.00 0.00 0.09 0.00 0.00 178.44 179.58 1i7x n ALA 622 N -2.50 1.76 0.16 1.53 0.00 0.52 -2.37 120.51 119.61 1i7x n ALA 622 Ca -0.04 -0.05 0.04 0.00 0.00 0.00 0.00 53.44 53.39 1i7x n ALA 622 Cb 0.75 -1.28 0.18 0.00 0.00 0.00 0.00 19.45 19.10 1i7x n ALA 622 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1i7x n GLN 623 N -1.55 0.03 -4.83 0.00 7.27 -1.14 -4.23 117.38 112.92 1i7x n GLN 623 Ca 0.04 0.45 -0.33 0.00 0.07 0.00 0.00 57.00 57.23 1i7x n GLN 623 Cb 0.20 -1.58 -0.14 0.00 2.41 0.00 0.00 30.24 31.12 1i7x n GLN 623 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 1i7x s ASP 624 N -3.20 3.92 0.02 1.69 1.01 -1.00 -5.04 116.67 114.07 1i7x s ASP 624 Ca 0.02 -0.34 -0.06 0.00 0.71 0.00 0.00 52.55 52.87 1i7x s ASP 624 Cb 0.04 -1.52 -0.03 0.00 1.01 0.00 0.00 42.92 42.42 1i7x s ASP 624 CO 0.11 0.18 1.10 0.50 0.21 0.00 0.00 175.17 177.28 1i7x h LYS 625 N 6.58 -0.14 -1.35 8.23 3.11 -1.87 0.31 116.57 131.42 1i7x h LYS 625 Ca -0.27 0.01 0.45 0.00 -2.81 0.00 0.00 60.65 58.03 1i7x h LYS 625 Cb 1.21 0.03 -0.11 0.00 -1.00 0.00 0.00 32.23 32.36 1i7x h LYS 625 CO 0.54 -0.10 0.90 -1.91 -2.81 0.00 0.00 179.45 176.08 1i7x n GLU 626 N -2.97 -0.02 -0.08 1.90 2.13 -1.26 -0.30 120.64 120.03 1i7x n GLU 626 Ca -0.02 1.08 -0.20 0.00 0.66 0.00 0.00 57.16 58.68 1i7x n GLU 626 Cb 0.08 -2.20 -0.12 0.00 0.27 0.00 0.00 31.44 29.46 1i7x n GLU 626 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1i7x h ALA 627 N 1.29 0.22 -1.07 4.31 0.00 -1.71 -3.25 119.26 119.05 1i7x h ALA 627 Ca 0.80 -1.08 0.41 0.00 0.00 0.00 0.00 54.91 55.04 1i7x h ALA 627 Cb 2.72 0.58 -0.17 0.00 0.00 0.00 0.00 17.79 20.93 1i7x h ALA 627 CO -0.32 0.61 0.61 0.00 0.00 0.00 0.00 179.25 180.15 1i7x h ALA 628 N -0.34 2.25 0.02 0.00 0.00 0.27 0.50 119.26 121.96 1i7x h ALA 628 Ca -0.28 0.23 -0.17 0.00 0.00 0.00 0.00 54.91 54.68 1i7x h ALA 628 Cb 1.32 0.29 0.01 0.00 0.00 0.00 0.00 17.79 19.42 1i7x h ALA 628 CO -0.13 -0.99 -0.69 1.05 0.00 0.00 0.00 179.25 178.48 1i7x h GLU 629 N 0.06 0.44 0.00 0.00 4.11 -1.60 -3.17 114.58 114.42 1i7x h GLU 629 Ca 0.83 -0.49 0.00 0.00 0.07 0.00 0.00 59.36 59.77 1i7x h GLU 629 Cb 2.25 0.15 0.00 0.00 0.50 0.00 0.00 28.75 31.65 1i7x h GLU 629 CO -0.69 1.15 0.01 0.00 0.07 0.00 0.00 179.01 179.55 1i7x h ALA 630 N 0.31 1.00 0.04 1.06 0.00 -0.09 -0.60 119.26 120.98 1i7x h ALA 630 Ca -0.09 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 1i7x h ALA 630 Cb 1.40 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.20 1i7x h ALA 630 CO 0.14 -0.00 -0.26 0.82 0.00 0.00 0.00 179.25 179.94 1i7x h ILE 631 N 0.00 1.69 0.00 0.00 2.04 -1.17 -3.26 117.51 116.82 1i7x h ILE 631 Ca 0.00 -2.37 0.00 0.00 1.00 0.00 0.00 64.86 63.49 1i7x h ILE 631 Cb 0.01 3.29 0.00 0.00 -0.74 0.00 0.00 36.82 39.38 1i7x h ILE 631 CO 0.00 0.63 0.00 1.05 0.00 0.00 0.00 178.15 179.83 1i7x h GLU 632 N -0.78 0.00 0.00 2.37 4.11 -1.34 -2.87 114.58 116.07 1i7x h GLU 632 Ca -0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.39 1i7x h GLU 632 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1i7x h GLU 632 CO 0.05 0.00 0.00 0.00 0.07 0.00 0.00 179.01 179.13 1i7x n ALA 633 N -1.83 2.32 0.00 1.06 0.00 -0.32 -2.75 120.51 118.98 1i7x n ALA 633 Ca 0.03 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1i7x n ALA 633 Cb 0.30 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.63 1i7x n ALA 633 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1i7x n GLU 634 N -0.65 4.17 0.00 0.00 -0.58 -1.09 -5.02 120.64 117.47 1i7x n GLU 634 Ca 0.06 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.80 1i7x n GLU 634 Cb 0.03 -0.34 0.00 0.00 -0.57 0.00 0.00 31.44 30.55 1i7x n GLU 634 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1i7x n GLY 635 N 0.68 0.72 0.03 0.62 0.00 -1.11 -5.06 105.19 101.07 1i7x n GLY 635 Ca 0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 46.02 45.85 1i7x n GLY 635 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i7x h ALA 636 N 0.00 -0.35 -0.81 4.61 0.00 -1.69 -3.37 119.26 117.65 1i7x h ALA 636 Ca 0.00 -0.01 0.19 0.00 0.00 0.00 0.00 54.91 55.08 1i7x h ALA 636 Cb 0.00 0.03 -0.15 0.00 0.00 0.00 0.00 17.79 17.67 1i7x h ALA 636 CO 0.00 -0.34 -0.06 1.79 0.00 0.00 0.00 179.25 180.64 1i7x h THR 637 N -0.16 0.24 0.00 0.00 1.35 -1.89 -2.84 112.91 109.60 1i7x h THR 637 Ca -0.01 -0.02 0.00 0.00 -0.55 0.00 0.00 66.41 65.83 1i7x h THR 637 Cb 0.05 0.18 0.00 0.00 -1.73 0.00 0.00 68.15 66.65 1i7x h THR 637 CO 0.01 0.01 0.00 0.00 -0.25 0.00 0.00 175.52 175.29 1i7x n ALA 638 N -3.11 0.00 0.03 6.62 0.00 -1.26 0.10 120.51 122.89 1i7x n ALA 638 Ca 0.15 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.46 1i7x n ALA 638 Cb 0.50 0.27 -0.09 0.00 0.00 0.00 0.00 19.45 20.13 1i7x n ALA 638 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1i7x h PRO 639 N 0.00 -0.10 -0.99 0.00 0.11 -1.72 -3.29 132.00 126.02 1i7x h PRO 639 Ca 0.00 0.01 0.34 0.00 0.11 0.00 0.00 66.00 66.46 1i7x h PRO 639 Cb 0.00 0.02 -0.17 0.00 0.11 0.00 0.00 31.00 30.96 1i7x h PRO 639 CO 0.00 0.32 0.36 1.25 -0.21 0.00 0.00 178.00 179.71 1i7x h LEU 640 N -0.54 0.07 -0.33 2.35 5.85 -1.18 0.63 115.31 122.15 1i7x h LEU 640 Ca -0.01 0.25 0.07 0.00 0.84 0.00 0.00 57.88 59.03 1i7x h LEU 640 Cb 0.46 0.32 -0.06 0.00 0.37 0.00 0.00 40.66 41.74 1i7x h LEU 640 CO 0.02 -0.35 -0.08 0.74 -0.34 0.00 0.00 178.44 178.42 1i7x h THR 641 N 0.06 0.67 0.02 1.05 2.02 -0.40 -2.03 112.91 114.30 1i7x h THR 641 Ca 0.73 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.93 1i7x h THR 641 Cb 1.75 0.67 -0.04 0.00 -1.74 0.00 0.00 68.15 68.79 1i7x h THR 641 CO -0.79 0.00 -0.20 -0.08 0.37 0.00 0.00 175.52 174.83 1i7x h GLU 642 N -0.00 -0.32 0.00 6.66 4.81 -1.03 -1.52 114.58 123.18 1i7x h GLU 642 Ca 0.16 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 1i7x h GLU 642 Cb 0.24 0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.70 1i7x h GLU 642 CO -0.34 -0.21 0.00 1.28 -0.73 0.00 0.00 179.01 179.00 1i7x n LEU 643 N -5.33 0.00 0.10 1.64 4.77 -0.78 -0.16 117.00 117.24 1i7x n LEU 643 Ca -0.05 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 55.98 1i7x n LEU 643 Cb 0.24 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.33 1i7x n LEU 643 CO 0.25 0.00 0.10 -0.07 -1.33 0.00 0.00 177.39 176.34 1i7x h LEU 644 N 0.00 0.00 0.00 2.23 3.38 -1.13 -3.28 115.31 116.51 1i7x h LEU 644 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1i7x h LEU 644 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1i7x h LEU 644 CO 0.00 0.32 -0.76 1.57 0.09 0.00 0.00 178.44 179.65 1i7x n HIS 645 N -2.92 0.02 -1.36 1.13 -0.00 0.77 -4.83 115.22 108.03 1i7x n HIS 645 Ca -0.03 0.01 -0.38 0.00 0.46 0.00 0.00 57.72 57.78 1i7x n HIS 645 Cb 0.69 -0.15 0.04 0.00 -0.12 0.00 0.00 29.99 30.44 1i7x n HIS 645 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 1i7x n SER 646 N -1.54 -1.91 -0.26 0.26 2.88 -1.24 -4.85 113.62 106.97 1i7x n SER 646 Ca 0.05 0.67 0.06 0.00 -1.33 0.00 0.00 58.87 58.31 1i7x n SER 646 Cb 0.34 -1.09 0.27 0.00 -0.75 0.00 0.00 64.21 62.99 1i7x n SER 646 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1i7x n ARG 647 N 0.30 1.33 -3.22 -1.46 1.74 -1.26 -4.73 116.66 109.36 1i7x n ARG 647 Ca 0.10 -0.51 -0.43 0.00 -0.77 0.00 0.00 57.85 56.24 1i7x n ARG 647 Cb 0.48 -1.23 -0.07 0.00 -1.02 0.00 0.00 32.46 30.62 1i7x n ARG 647 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1i7x s ASN 648 N -1.29 6.23 0.65 0.55 3.84 -1.26 -4.90 114.94 118.75 1i7x s ASN 648 Ca 0.20 -0.76 0.23 0.00 0.21 0.00 0.00 52.86 52.74 1i7x s ASN 648 Cb 0.10 -2.27 1.22 0.00 -0.55 0.00 0.00 41.25 39.76 1i7x s ASN 648 CO 0.15 -0.75 1.69 -0.08 -2.79 0.00 0.00 177.10 175.32 1i7x h GLU 649 N 8.87 0.00 0.00 0.43 4.81 -2.01 -1.69 114.58 124.99 1i7x h GLU 649 Ca -0.27 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.96 1i7x h GLU 649 Cb 1.10 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.48 1i7x h GLU 649 CO 0.89 0.00 -0.01 0.78 -0.73 0.00 0.00 179.01 179.93 1i7x h GLY 650 N 0.00 0.00 -1.59 1.92 0.00 -1.96 -3.28 103.07 98.17 1i7x h GLY 650 Ca 0.05 0.00 0.51 0.00 0.00 0.00 0.00 47.33 47.89 1i7x h GLY 650 CO -0.00 0.00 1.10 -2.08 0.00 0.00 0.00 176.54 175.56 1i7x h VAL 651 N -0.08 0.02 0.00 4.60 2.07 -1.72 -1.75 116.25 119.40 1i7x h VAL 651 Ca 0.00 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1i7x h VAL 651 Cb 0.01 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 29.79 1i7x h VAL 651 CO 0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.59 1i7x n ALA 652 N -2.69 -0.13 -0.60 1.67 0.00 -0.69 -0.95 120.51 117.11 1i7x n ALA 652 Ca 0.42 0.00 0.47 0.00 0.00 0.00 0.00 53.44 54.32 1i7x n ALA 652 Cb 1.74 0.00 0.73 0.00 0.00 0.00 0.00 19.45 21.92 1i7x n ALA 652 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1i7x n THR 653 N -1.05 -0.06 0.02 0.00 -1.04 -0.71 0.24 114.28 111.68 1i7x n THR 653 Ca 0.00 1.46 -0.03 0.00 -2.04 0.00 0.00 64.05 63.45 1i7x n THR 653 Cb 0.00 -2.43 -0.01 0.00 -1.82 0.00 0.00 70.33 66.07 1i7x n THR 653 CO 0.00 0.00 0.00 1.88 -0.64 0.00 0.00 175.07 176.31 1i7x h TYR 654 N 0.00 -0.15 -1.30 -1.42 0.05 -1.43 -3.08 116.97 109.64 1i7x h TYR 654 Ca 0.86 -0.00 0.39 0.00 0.05 0.00 0.00 58.73 60.03 1i7x h TYR 654 Cb 3.29 0.05 -0.10 0.00 1.01 0.00 0.00 36.73 40.99 1i7x h TYR 654 CO -0.00 -0.09 0.88 0.00 -1.05 0.00 0.00 178.16 177.90 1i7x h ALA 655 N -1.04 2.83 0.02 3.88 0.00 0.16 -0.49 119.26 124.63 1i7x h ALA 655 Ca -0.02 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1i7x h ALA 655 Cb 0.13 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1i7x h ALA 655 CO 0.03 -1.33 -0.01 0.00 0.00 0.00 0.00 179.25 177.93 1i7x h ALA 656 N 1.49 -0.63 -0.73 0.00 0.00 -1.14 -2.94 119.26 115.31 1i7x h ALA 656 Ca 0.72 -0.01 0.21 0.00 0.00 0.00 0.00 54.91 55.84 1i7x h ALA 656 Cb 2.38 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 20.15 1i7x h ALA 656 CO -0.25 -0.63 0.73 0.00 0.00 0.00 0.00 179.25 179.10 1i7x h ALA 657 N -1.97 2.54 0.48 0.00 0.00 -1.27 -0.43 119.26 118.60 1i7x h ALA 657 Ca -0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1i7x h ALA 657 Cb 0.02 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1i7x h ALA 657 CO 0.01 -1.10 -0.23 0.28 0.00 0.00 0.00 179.25 178.20 1i7x h VAL 658 N 0.00 0.07 0.22 0.00 2.07 -1.12 -2.38 116.25 115.10 1i7x h VAL 658 Ca 0.35 -0.54 0.01 0.00 0.82 0.00 0.00 66.70 67.33 1i7x h VAL 658 Cb 1.80 0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 31.65 1i7x h VAL 658 CO -0.00 0.01 -0.27 -0.07 0.02 0.00 0.00 177.57 177.26 1i7x h LEU 659 N -1.15 -0.75 0.00 2.57 3.38 -1.19 -1.58 115.31 116.59 1i7x h LEU 659 Ca -0.07 0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1i7x h LEU 659 Cb 0.52 0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1i7x h LEU 659 CO 0.11 -0.38 0.00 0.33 0.09 0.00 0.00 178.44 178.59 1i7x n PHE 660 N -5.39 0.00 -0.10 1.13 7.35 -0.24 -1.20 117.46 119.01 1i7x n PHE 660 Ca -0.08 0.00 -0.06 0.00 -0.76 0.00 0.00 57.45 56.55 1i7x n PHE 660 Cb 0.30 -0.36 0.02 0.00 0.35 0.00 0.00 39.48 39.79 1i7x n PHE 660 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1i7x h ARG 661 N 0.00 0.17 -1.00 -4.13 3.08 -1.43 -2.66 114.38 108.41 1i7x h ARG 661 Ca 0.00 -0.01 0.36 0.00 0.07 0.00 0.00 59.98 60.40 1i7x h ARG 661 Cb 0.00 -0.04 -0.12 0.00 0.08 0.00 0.00 29.97 29.89 1i7x h ARG 661 CO 0.00 0.11 0.62 -0.12 -1.07 0.00 0.00 179.97 179.52 1i7x n MET 662 N -5.10 -0.03 -3.90 0.04 1.56 -0.34 -2.61 117.12 106.73 1i7x n MET 662 Ca 0.01 1.01 -0.32 0.00 -0.27 0.00 0.00 57.70 58.13 1i7x n MET 662 Cb 0.16 -1.95 -0.13 0.00 2.15 0.00 0.00 33.22 33.45 1i7x n MET 662 CO 0.00 0.00 0.00 -1.12 -0.73 0.00 0.00 175.97 174.12 1i7x s SER 663 N -4.41 4.76 0.00 6.12 0.01 -1.00 -4.57 113.70 114.60 1i7x s SER 663 Ca -0.06 -2.59 0.00 0.00 1.31 0.00 0.00 55.95 54.61 1i7x s SER 663 Cb 0.25 -1.70 0.00 0.00 0.21 0.00 0.00 66.02 64.77 1i7x s SER 663 CO 0.64 -0.35 0.00 1.21 0.41 0.00 0.00 173.24 175.15