#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iqa n GLN 162 N 0.00 1.59 -0.91 0.00 -0.06 -1.26 -4.83 117.38 111.91 1iqa n GLN 162 Ca 0.00 0.56 -0.31 0.00 -2.00 0.00 0.00 57.00 55.25 1iqa n GLN 162 Cb 0.00 -2.11 0.14 0.00 -4.06 0.00 0.00 30.24 24.20 1iqa n GLN 162 CO 0.00 0.00 0.00 -1.25 -0.20 0.00 0.00 177.06 175.61 1iqa s PRO 163 N -0.61 1.47 -0.16 3.69 0.04 -1.26 -4.88 135.00 133.29 1iqa s PRO 163 Ca 0.68 1.42 -0.34 0.00 0.04 0.00 0.00 61.00 62.80 1iqa s PRO 163 Cb -0.74 -1.79 0.14 0.00 0.04 0.00 0.00 34.50 32.15 1iqa s PRO 163 CO 0.53 -2.27 1.27 -0.59 0.04 0.00 0.00 177.00 175.97 1iqa s PHE 164 N -2.73 -0.08 -0.15 0.56 -0.12 -0.25 -2.54 117.98 112.67 1iqa s PHE 164 Ca 0.65 0.03 -0.25 0.00 -0.05 0.00 0.00 56.93 57.30 1iqa s PHE 164 Cb -0.21 0.52 0.06 0.00 -0.63 0.00 0.00 43.02 42.76 1iqa s PHE 164 CO 0.57 -0.19 0.64 0.00 -0.05 0.00 0.00 175.22 176.19 1iqa s ALA 165 N -2.35 -1.62 -0.16 1.99 0.00 0.90 -0.49 121.76 120.04 1iqa s ALA 165 Ca 0.11 1.53 -0.04 0.00 0.00 0.00 0.00 51.96 53.56 1iqa s ALA 165 Cb 0.01 -0.57 0.06 0.00 0.00 0.00 0.00 23.12 22.62 1iqa s ALA 165 CO -0.04 -0.33 0.11 -1.58 0.00 0.00 0.00 175.76 173.92 1iqa s HIS 166 N -0.38 0.10 -0.07 0.00 5.04 -0.11 -0.43 115.29 119.43 1iqa s HIS 166 Ca -0.05 -0.14 0.04 0.00 -1.54 0.00 0.00 55.06 53.38 1iqa s HIS 166 Cb -0.03 -0.60 -0.02 0.00 0.04 0.00 0.00 32.58 31.97 1iqa s HIS 166 CO 0.05 -0.48 -0.20 -0.51 -2.34 0.00 0.00 174.74 171.26 1iqa s LEU 167 N 2.17 2.35 0.07 8.88 1.43 0.59 -1.07 118.68 133.10 1iqa s LEU 167 Ca 0.03 -0.39 0.04 0.00 -1.03 0.00 0.00 54.13 52.77 1iqa s LEU 167 Cb -0.15 -1.46 -0.04 0.00 0.03 0.00 0.00 46.19 44.57 1iqa s LEU 167 CO -0.09 0.26 0.00 0.42 0.23 0.00 0.00 176.35 177.18 1iqa s THR 168 N -0.25 4.08 0.13 5.49 -4.23 -1.14 -1.12 115.64 118.59 1iqa s THR 168 Ca -0.00 -0.88 -0.31 0.00 -1.18 0.00 0.00 61.69 59.32 1iqa s THR 168 Cb -0.13 -2.91 -0.09 0.00 1.34 0.00 0.00 72.50 70.71 1iqa s THR 168 CO 0.03 0.19 1.49 -0.51 -0.54 0.00 0.00 174.62 175.27 1iqa s ILE 169 N -1.26 3.01 -0.49 2.99 1.10 -0.99 0.50 121.20 126.07 1iqa s ILE 169 Ca 0.24 0.70 -0.16 0.00 -0.51 0.00 0.00 60.65 60.92 1iqa s ILE 169 Cb -0.12 -3.45 0.07 0.00 0.15 0.00 0.00 42.46 39.12 1iqa s ILE 169 CO 0.16 0.05 0.46 0.21 -2.11 0.00 0.00 174.94 173.71 1iqa s ASN 170 N 1.29 6.17 0.00 4.50 3.04 -0.46 -4.73 114.94 124.74 1iqa s ASN 170 Ca 0.68 -1.25 0.00 0.00 0.04 0.00 0.00 52.86 52.33 1iqa s ASN 170 Cb -0.40 -2.21 0.00 0.00 -1.54 0.00 0.00 41.25 37.10 1iqa s ASN 170 CO 0.31 -0.73 0.20 0.00 -3.04 0.00 0.00 177.10 173.84 1iqa n ALA 171 N 5.46 0.20 -0.02 1.71 0.00 -1.26 -1.71 120.51 124.89 1iqa n ALA 171 Ca -0.11 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.20 1iqa n ALA 171 Cb 0.44 -0.14 -0.10 0.00 0.00 0.00 0.00 19.45 19.64 1iqa n ALA 171 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1iqa h ALA 172 N 0.29 -0.05 0.00 0.00 0.00 -1.92 -3.37 119.26 114.22 1iqa h ALA 172 Ca 0.00 -0.32 -0.50 0.00 0.00 0.00 0.00 54.91 54.09 1iqa h ALA 172 Cb 0.22 0.02 0.06 0.00 0.00 0.00 0.00 17.79 18.09 1iqa h ALA 172 CO 0.00 -0.17 2.00 0.45 0.00 0.00 0.00 179.25 181.53 1iqa n SER 173 N -4.78 2.38 -3.27 0.00 2.88 -0.70 -4.60 113.62 105.52 1iqa n SER 173 Ca -0.09 -2.48 -0.06 0.00 -1.33 0.00 0.00 58.87 54.91 1iqa n SER 173 Cb 0.33 -0.90 -0.04 0.00 -0.75 0.00 0.00 64.21 62.85 1iqa n SER 173 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1iqa s ILE 174 N 5.10 -0.73 0.00 2.46 -1.09 -1.26 -4.74 121.20 120.95 1iqa s ILE 174 Ca 0.49 -0.39 0.00 0.00 -2.23 0.00 0.00 60.65 58.52 1iqa s ILE 174 Cb 0.12 -0.38 0.00 0.00 -1.58 0.00 0.00 42.46 40.62 1iqa s ILE 174 CO 0.12 -0.24 0.00 -2.65 -1.23 0.00 0.00 174.94 170.95 1iqa n PRO 175 N 4.48 0.39 -0.31 2.79 -0.02 -1.26 -4.90 135.00 136.16 1iqa n PRO 175 Ca 0.10 0.00 0.08 0.00 -2.02 0.00 0.00 63.50 61.66 1iqa n PRO 175 Cb 0.52 0.00 0.17 0.00 -0.02 0.00 0.00 33.50 34.17 1iqa n PRO 175 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1iqa n SER 176 N -0.96 2.08 -4.93 2.55 7.64 -1.26 -4.08 113.62 114.67 1iqa n SER 176 Ca 0.00 -3.46 -0.24 0.00 1.01 0.00 0.00 58.87 56.18 1iqa n SER 176 Cb 0.00 -0.48 0.01 0.00 -1.01 0.00 0.00 64.21 62.73 1iqa n SER 176 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1iqa s GLY 177 N -3.03 2.20 -0.00 0.23 0.00 -1.26 -4.89 107.32 100.56 1iqa s GLY 177 Ca 0.35 -1.54 0.13 0.00 0.00 0.00 0.00 44.72 43.66 1iqa s GLY 177 CO -0.01 -1.85 0.55 -1.26 0.00 0.00 0.00 173.10 170.52 1iqa n SER 178 N -1.84 0.70 -4.77 1.64 2.88 -1.26 -3.57 113.62 107.40 1iqa n SER 178 Ca 0.03 -0.76 -0.36 0.00 -1.33 0.00 0.00 58.87 56.44 1iqa n SER 178 Cb 0.63 1.04 -0.00 0.00 -0.75 0.00 0.00 64.21 65.13 1iqa n SER 178 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 1iqa s HIS 179 N -2.29 2.75 0.30 0.66 3.76 -1.26 -2.32 115.29 116.89 1iqa s HIS 179 Ca 0.04 1.53 -0.29 0.00 -0.15 0.00 0.00 55.06 56.19 1iqa s HIS 179 Cb 0.10 -3.37 -0.10 0.00 1.11 0.00 0.00 32.58 30.32 1iqa s HIS 179 CO 0.55 -1.63 1.30 -1.59 -0.85 0.00 0.00 174.74 172.52 1iqa s LYS 180 N -2.94 4.38 0.06 1.40 -2.85 -1.26 -4.29 119.74 114.23 1iqa s LYS 180 Ca 0.68 2.17 -0.02 0.00 -1.00 0.00 0.00 55.97 57.79 1iqa s LYS 180 Cb -0.28 -3.10 -0.03 0.00 -2.06 0.00 0.00 37.83 32.36 1iqa s LYS 180 CO 0.33 -0.18 0.01 0.14 0.10 0.00 0.00 175.35 175.75 1iqa s VAL 181 N -0.89 0.20 0.01 1.79 -7.23 -0.31 -4.96 120.40 109.02 1iqa s VAL 181 Ca 0.50 -1.66 -0.22 0.00 -1.81 0.00 0.00 61.98 58.80 1iqa s VAL 181 Cb -0.39 -1.44 -0.05 0.00 0.56 0.00 0.00 36.38 35.06 1iqa s VAL 181 CO 0.49 -0.91 0.65 -0.89 -0.31 0.00 0.00 175.10 174.12 1iqa s THR 182 N -3.80 4.85 -0.05 5.32 2.01 -1.26 -1.51 115.64 121.19 1iqa s THR 182 Ca 0.06 1.36 -0.27 0.00 0.31 0.00 0.00 61.69 63.15 1iqa s THR 182 Cb 0.07 -3.99 -0.03 0.00 0.01 0.00 0.00 72.50 68.56 1iqa s THR 182 CO -0.10 0.40 0.84 -0.76 -0.69 0.00 0.00 174.62 174.32 1iqa s LEU 183 N -0.15 4.32 0.00 4.42 1.43 0.23 -4.94 118.68 123.99 1iqa s LEU 183 Ca 0.33 1.40 0.11 0.00 -1.03 0.00 0.00 54.13 54.93 1iqa s LEU 183 Cb -0.19 -3.32 -0.05 0.00 0.03 0.00 0.00 46.19 42.66 1iqa s LEU 183 CO 0.19 -0.23 0.56 -1.54 0.23 0.00 0.00 176.35 175.57 1iqa n SER 184 N 4.07 0.93 -3.91 2.29 3.41 -1.26 -4.56 113.62 114.59 1iqa n SER 184 Ca 0.03 -0.97 -0.30 0.00 -0.26 0.00 0.00 58.87 57.37 1iqa n SER 184 Cb 0.51 0.70 -0.16 0.00 -0.26 0.00 0.00 64.21 65.00 1iqa n SER 184 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1iqa s SER 185 N -1.66 3.78 0.05 4.04 0.01 -1.26 -0.43 113.70 118.23 1iqa s SER 185 Ca 0.07 -1.19 0.05 0.00 1.31 0.00 0.00 55.95 56.20 1iqa s SER 185 Cb 0.08 -1.11 -0.02 0.00 0.21 0.00 0.00 66.02 65.17 1iqa s SER 185 CO 0.34 -0.26 -0.15 0.26 0.41 0.00 0.00 173.24 173.84 1iqa s TRP 186 N 1.44 1.34 0.41 2.43 0.52 -1.26 -1.36 118.94 122.46 1iqa s TRP 186 Ca -0.04 -0.38 -0.12 0.00 0.02 0.00 0.00 56.10 55.58 1iqa s TRP 186 Cb -0.19 -0.78 -0.07 0.00 -1.15 0.00 0.00 33.47 31.28 1iqa s TRP 186 CO -0.07 0.06 0.81 0.71 0.02 0.00 0.00 176.95 178.48 1iqa s TYR 187 N -0.94 3.45 -0.00 -1.98 4.12 0.18 -4.83 117.35 117.35 1iqa s TYR 187 Ca 0.02 1.16 0.00 0.00 0.02 0.00 0.00 57.07 58.27 1iqa s TYR 187 Cb -0.08 -2.53 0.00 0.00 -1.52 0.00 0.00 41.96 37.83 1iqa s TYR 187 CO 0.02 -0.13 0.60 -2.39 0.02 0.00 0.00 175.55 173.67 1iqa n HIS 188 N -1.22 0.00 -2.07 2.71 1.44 -1.26 -2.90 115.22 111.92 1iqa n HIS 188 Ca 0.03 -0.06 0.00 0.00 -2.01 0.00 0.00 57.72 55.69 1iqa n HIS 188 Cb 0.54 -0.01 0.00 0.00 0.12 0.00 0.00 29.99 30.64 1iqa n HIS 188 CO 0.00 0.00 0.00 -0.40 -2.81 0.00 0.00 176.34 173.13 1iqa n ASP 189 N -0.06 0.10 -4.06 4.39 5.75 -1.25 -3.37 116.55 118.06 1iqa n ASP 189 Ca 0.00 -1.84 -0.08 0.00 -0.01 0.00 0.00 54.79 52.87 1iqa n ASP 189 Cb 0.50 -0.16 -0.10 0.00 -1.03 0.00 0.00 41.12 40.32 1iqa n ASP 189 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1iqa s ARG 190 N 0.00 0.53 4.22 0.11 3.00 -1.23 -5.00 118.95 120.57 1iqa s ARG 190 Ca 0.05 -1.03 0.00 0.00 0.00 0.00 0.00 55.73 54.75 1iqa s ARG 190 Cb 0.05 0.15 0.00 0.00 0.00 0.00 0.00 34.95 35.16 1iqa s ARG 190 CO -0.02 -0.09 0.00 0.41 0.00 0.00 0.00 175.30 175.60 1iqa n GLY 191 N 0.58 3.29 0.27 -3.53 0.00 -1.26 -0.82 105.19 103.72 1iqa n GLY 191 Ca -0.17 0.20 0.13 0.00 0.00 0.00 0.00 46.02 46.18 1iqa n GLY 191 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1iqa n TRP 192 N 14.00 0.00 -2.42 1.61 5.03 -1.26 -4.89 117.44 129.50 1iqa n TRP 192 Ca 0.00 0.00 -0.41 0.00 3.03 0.00 0.00 57.50 60.12 1iqa n TRP 192 Cb 0.00 -0.11 -0.03 0.00 -1.03 0.00 0.00 31.31 30.14 1iqa n TRP 192 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 1iqa s ALA 193 N -2.49 3.41 0.18 6.99 0.00 0.00 -4.81 121.76 125.04 1iqa s ALA 193 Ca 0.24 0.88 -0.23 0.00 0.00 0.00 0.00 51.96 52.85 1iqa s ALA 193 Cb 0.19 -3.41 0.06 0.00 0.00 0.00 0.00 23.12 19.95 1iqa s ALA 193 CO 0.52 -0.36 0.71 -1.59 0.00 0.00 0.00 175.76 175.04 1iqa s LYS 194 N 0.27 1.38 -0.13 0.00 -2.85 -0.24 -3.56 119.74 114.61 1iqa s LYS 194 Ca 0.55 -0.64 -0.29 0.00 -1.00 0.00 0.00 55.97 54.58 1iqa s LYS 194 Cb -0.31 0.55 0.09 0.00 -2.06 0.00 0.00 37.83 36.10 1iqa s LYS 194 CO 0.33 -0.62 0.80 -1.50 0.10 0.00 0.00 175.35 174.46 1iqa s ILE 195 N -3.68 0.00 -0.22 3.79 2.07 -1.26 -0.94 121.20 120.97 1iqa s ILE 195 Ca 0.06 0.00 -0.08 0.00 -1.41 0.00 0.00 60.65 59.22 1iqa s ILE 195 Cb -0.03 -1.00 0.10 0.00 0.13 0.00 0.00 42.46 41.66 1iqa s ILE 195 CO -0.04 0.00 0.47 -0.55 -1.91 0.00 0.00 174.94 172.90 1iqa s SER 196 N -0.82 -0.45 -0.83 4.50 0.15 0.36 -4.97 113.70 111.64 1iqa s SER 196 Ca -0.06 1.11 -0.03 0.00 0.70 0.00 0.00 55.95 57.67 1iqa s SER 196 Cb -0.01 1.49 -0.04 0.00 -1.71 0.00 0.00 66.02 65.75 1iqa s SER 196 CO 0.05 -0.23 0.72 -3.20 1.20 0.00 0.00 173.24 171.78 1iqa n ASN 197 N 5.31 -4.56 -3.66 5.45 4.05 -1.26 -1.09 115.26 119.49 1iqa n ASN 197 Ca -0.10 -0.52 -0.08 0.00 0.45 0.00 0.00 54.58 54.33 1iqa n ASN 197 Cb 0.50 -4.08 -0.08 0.00 1.23 0.00 0.00 39.78 37.35 1iqa n ASN 197 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 1iqa s THR 199 N -3.29 -0.12 -0.29 -0.44 2.01 -0.92 -4.00 115.64 108.59 1iqa s THR 199 Ca 0.25 0.04 -0.11 0.00 0.31 0.00 0.00 61.69 62.18 1iqa s THR 199 Cb -0.03 -0.85 -0.04 0.00 0.01 0.00 0.00 72.50 71.59 1iqa s THR 199 CO 0.56 0.02 0.19 -0.22 -0.69 0.00 0.00 174.62 174.48 1iqa s LEU 200 N 1.71 4.07 -0.33 4.42 0.20 -1.26 -0.20 118.68 127.30 1iqa s LEU 200 Ca -0.09 -0.10 0.02 0.00 0.69 0.00 0.00 54.13 54.66 1iqa s LEU 200 Cb -0.07 -2.11 0.10 0.00 -0.43 0.00 0.00 46.19 43.68 1iqa s LEU 200 CO -0.17 -0.08 0.07 -0.94 -0.29 0.00 0.00 176.35 174.93 1iqa s SER 201 N 1.74 4.49 -1.01 3.68 1.04 0.04 -4.89 113.70 118.79 1iqa s SER 201 Ca 0.07 -1.95 -0.17 0.00 0.48 0.00 0.00 55.95 54.38 1iqa s SER 201 Cb -0.16 -1.34 0.02 0.00 0.10 0.00 0.00 66.02 64.64 1iqa s SER 201 CO 0.10 -0.39 0.65 0.59 0.98 0.00 0.00 173.24 175.17 1iqa n ASN 202 N 4.48 -4.62 0.00 7.02 3.02 -1.26 -1.33 115.26 122.56 1iqa n ASN 202 Ca 0.02 -1.10 0.00 0.00 -0.03 0.00 0.00 54.58 53.46 1iqa n ASN 202 Cb 0.42 -1.81 0.00 0.00 -0.61 0.00 0.00 39.78 37.78 1iqa n ASN 202 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1iqa n GLY 203 N -1.86 2.23 3.51 7.41 0.00 0.42 -4.69 105.19 112.22 1iqa n GLY 203 Ca -0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.47 1iqa n GLY 203 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iqa s LYS 204 N -0.17 3.71 -0.50 1.61 3.01 -0.44 -4.37 119.74 122.59 1iqa s LYS 204 Ca 0.00 -0.49 -0.15 0.00 -1.01 0.00 0.00 55.97 54.32 1iqa s LYS 204 Cb 0.00 -3.00 0.10 0.00 -1.01 0.00 0.00 37.83 33.92 1iqa s LYS 204 CO 0.00 0.20 0.44 -1.17 0.51 0.00 0.00 175.35 175.33 1iqa s LEU 205 N 0.49 5.88 0.10 3.17 2.96 0.88 -0.78 118.68 131.38 1iqa s LEU 205 Ca -0.02 -1.56 -0.25 0.00 -0.22 0.00 0.00 54.13 52.07 1iqa s LEU 205 Cb -0.14 -2.19 -0.06 0.00 0.50 0.00 0.00 46.19 44.30 1iqa s LEU 205 CO 0.02 -0.75 0.78 -0.60 -1.32 0.00 0.00 176.35 174.49 1iqa s ARG 206 N 1.61 4.54 0.14 1.98 3.52 0.72 -0.60 118.95 130.86 1iqa s ARG 206 Ca 0.04 1.13 -0.28 0.00 -0.13 0.00 0.00 55.73 56.48 1iqa s ARG 206 Cb -0.27 -3.33 -0.07 0.00 -1.56 0.00 0.00 34.95 29.73 1iqa s ARG 206 CO 0.05 0.39 0.90 0.08 -0.81 0.00 0.00 175.30 175.90 1iqa s VAL 207 N -0.47 4.40 -0.18 7.11 1.01 0.84 -2.16 120.40 130.95 1iqa s VAL 207 Ca 0.38 1.95 0.05 0.00 0.00 0.00 0.00 61.98 64.36 1iqa s VAL 207 Cb -0.22 -4.26 -0.14 0.00 0.00 0.00 0.00 36.38 31.75 1iqa s VAL 207 CO 0.25 0.41 -0.11 0.59 0.00 0.00 0.00 175.10 176.23 1iqa n ASN 208 N 2.26 2.13 -4.37 3.32 4.13 -1.26 -0.10 115.26 121.37 1iqa n ASN 208 Ca -0.01 -0.08 -0.32 0.00 1.68 0.00 0.00 54.58 55.85 1iqa n ASN 208 Cb 0.49 0.03 -0.15 0.00 -1.54 0.00 0.00 39.78 38.61 1iqa n ASN 208 CO 0.00 0.00 0.00 -1.58 0.28 0.00 0.00 177.26 175.96 1iqa s GLN 209 N -2.38 2.61 0.46 3.52 0.74 -1.26 -4.60 119.66 118.74 1iqa s GLN 209 Ca -0.21 -0.79 -0.23 0.00 0.05 0.00 0.00 55.36 54.18 1iqa s GLN 209 Cb 0.06 -2.31 -0.08 0.00 1.10 0.00 0.00 33.01 31.79 1iqa s GLN 209 CO 0.50 0.47 1.14 -0.51 -0.55 0.00 0.00 175.29 176.34 1iqa s ASP 210 N -0.36 6.24 0.00 6.67 1.11 -1.26 -4.38 116.67 124.69 1iqa s ASP 210 Ca 0.03 2.24 0.00 0.00 0.18 0.00 0.00 52.55 54.99 1iqa s ASP 210 Cb -0.12 -2.60 0.00 0.00 1.07 0.00 0.00 42.92 41.27 1iqa s ASP 210 CO 0.02 -0.87 0.00 0.61 1.18 0.00 0.00 175.17 176.12 1iqa n GLY 211 N 0.38 -1.79 3.39 0.21 0.00 -0.08 -4.46 105.19 102.83 1iqa n GLY 211 Ca 0.07 -1.12 -0.38 0.00 0.00 0.00 0.00 46.02 44.59 1iqa n GLY 211 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1iqa s PHE 212 N -2.36 3.18 0.18 1.61 2.99 0.12 0.66 117.98 124.37 1iqa s PHE 212 Ca 0.00 -0.82 0.08 0.00 0.00 0.00 0.00 56.93 56.19 1iqa s PHE 212 Cb 0.00 -2.33 -0.04 0.00 0.00 0.00 0.00 43.02 40.65 1iqa s PHE 212 CO 0.00 -0.54 -0.06 0.71 -0.00 0.00 0.00 175.22 175.33 1iqa s TYR 213 N 1.55 2.72 -0.21 0.36 1.51 0.09 0.17 117.35 123.55 1iqa s TYR 213 Ca 0.03 -0.19 -0.12 0.00 -1.01 0.00 0.00 57.07 55.79 1iqa s TYR 213 Cb -0.18 -1.32 -0.05 0.00 -0.11 0.00 0.00 41.96 40.30 1iqa s TYR 213 CO 0.05 0.52 0.22 -0.47 -1.11 0.00 0.00 175.55 174.75 1iqa s TYR 214 N -1.72 3.37 0.07 2.71 5.04 -0.57 -0.80 117.35 125.45 1iqa s TYR 214 Ca 0.26 0.37 0.08 0.00 -2.44 0.00 0.00 57.07 55.34 1iqa s TYR 214 Cb -0.09 -2.31 -0.04 0.00 0.35 0.00 0.00 41.96 39.88 1iqa s TYR 214 CO 0.17 0.12 -0.18 -0.51 -1.34 0.00 0.00 175.55 173.81 1iqa s LEU 215 N 0.89 2.65 0.17 6.97 1.43 0.11 -2.32 118.68 128.58 1iqa s LEU 215 Ca 0.11 -0.47 -0.17 0.00 -1.03 0.00 0.00 54.13 52.57 1iqa s LEU 215 Cb -0.13 -1.54 0.03 0.00 0.03 0.00 0.00 46.19 44.58 1iqa s LEU 215 CO 0.04 0.23 0.47 -0.72 0.23 0.00 0.00 176.35 176.60 1iqa s TYR 216 N -1.01 -0.14 -0.02 0.29 -0.85 -0.75 -0.83 117.35 114.04 1iqa s TYR 216 Ca 0.16 -0.19 -0.22 0.00 -0.52 0.00 0.00 57.07 56.30 1iqa s TYR 216 Cb -0.11 0.33 0.05 0.00 0.38 0.00 0.00 41.96 42.61 1iqa s TYR 216 CO 0.07 -0.83 0.49 0.00 -1.52 0.00 0.00 175.55 173.76 1iqa s ALA 217 N -3.85 -1.26 -0.03 9.51 0.00 -0.43 -0.98 121.76 124.72 1iqa s ALA 217 Ca 0.07 0.76 0.01 0.00 0.00 0.00 0.00 51.96 52.80 1iqa s ALA 217 Cb 0.00 0.10 0.01 0.00 0.00 0.00 0.00 23.12 23.23 1iqa s ALA 217 CO -0.06 -0.34 -0.04 1.21 0.00 0.00 0.00 175.76 176.52 1iqa s ASN 218 N -1.39 0.74 -0.04 0.00 2.47 -0.24 -1.73 114.94 114.75 1iqa s ASN 218 Ca -0.11 -0.10 -0.01 0.00 0.42 0.00 0.00 52.86 53.06 1iqa s ASN 218 Cb -0.02 -0.27 0.03 0.00 -1.45 0.00 0.00 41.25 39.54 1iqa s ASN 218 CO 0.06 -0.01 0.03 -0.63 -3.72 0.00 0.00 177.10 172.82 1iqa s ILE 219 N 0.53 0.03 -0.04 -5.21 -1.09 0.77 -1.12 121.20 115.07 1iqa s ILE 219 Ca -0.06 0.25 0.02 0.00 -2.23 0.00 0.00 60.65 58.63 1iqa s ILE 219 Cb -0.10 -0.21 -0.03 0.00 -1.58 0.00 0.00 42.46 40.55 1iqa s ILE 219 CO -0.00 0.16 -0.09 0.00 -1.23 0.00 0.00 174.94 173.77 1iqa s PHE 221 N -0.84 1.38 0.16 0.00 0.40 0.17 -0.70 117.98 118.55 1iqa s PHE 221 Ca 0.13 -0.29 -0.10 0.00 -0.60 0.00 0.00 56.93 56.07 1iqa s PHE 221 Cb -0.11 -0.87 -0.00 0.00 0.51 0.00 0.00 43.02 42.55 1iqa s PHE 221 CO 0.03 0.00 0.31 -0.98 0.70 0.00 0.00 175.22 175.28 1iqa s ARG 222 N -0.63 1.16 -0.19 0.44 3.03 -0.62 -0.49 118.95 121.64 1iqa s ARG 222 Ca 0.05 -1.12 -0.10 0.00 2.03 0.00 0.00 55.73 56.59 1iqa s ARG 222 Cb -0.07 0.39 0.07 0.00 -1.03 0.00 0.00 34.95 34.31 1iqa s ARG 222 CO 0.00 -0.43 0.46 -1.58 -1.13 0.00 0.00 175.30 172.62 1iqa s HIS 223 N -3.95 -0.71 -0.12 5.89 2.46 0.24 -4.81 115.29 114.30 1iqa s HIS 223 Ca 0.15 1.47 -0.02 0.00 0.47 0.00 0.00 55.06 57.13 1iqa s HIS 223 Cb 0.03 0.34 -0.03 0.00 -0.13 0.00 0.00 32.58 32.79 1iqa s HIS 223 CO -0.01 -0.39 -0.04 -1.01 -2.47 0.00 0.00 174.74 170.81 1iqa s HIS 224 N 1.56 3.01 0.49 3.88 3.76 -1.21 0.00 115.29 126.79 1iqa s HIS 224 Ca -0.09 -0.14 0.18 0.00 -0.15 0.00 0.00 55.06 54.85 1iqa s HIS 224 Cb -0.08 -1.86 1.24 0.00 1.11 0.00 0.00 32.58 32.99 1iqa s HIS 224 CO -0.14 0.14 2.10 0.93 -0.85 0.00 0.00 174.74 176.92 1iqa h GLU 225 N 6.05 0.00 0.00 1.40 5.08 0.14 0.21 114.58 127.45 1iqa h GLU 225 Ca -0.39 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 57.95 1iqa h GLU 225 Cb 1.19 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.43 1iqa h GLU 225 CO 0.58 0.08 -0.09 1.79 -1.00 0.00 0.00 179.01 180.37 1iqa h THR 226 N 0.00 1.04 0.00 1.13 1.35 -1.95 -0.75 112.91 113.73 1iqa h THR 226 Ca -0.00 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 65.56 1iqa h THR 226 Cb 0.14 1.16 0.00 0.00 -1.73 0.00 0.00 68.15 67.72 1iqa h THR 226 CO 0.01 0.08 0.00 -1.20 -0.25 0.00 0.00 175.52 174.16 1iqa n SER 227 N -4.41 0.68 0.00 5.36 7.64 0.06 -5.01 113.62 117.94 1iqa n SER 227 Ca -0.03 0.61 0.00 0.00 1.01 0.00 0.00 58.87 60.46 1iqa n SER 227 Cb 0.16 -0.78 0.00 0.00 -1.01 0.00 0.00 64.21 62.59 1iqa n SER 227 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1iqa n GLY 228 N 0.68 0.18 3.40 0.23 0.00 -0.29 -5.05 105.19 104.34 1iqa n GLY 228 Ca 0.04 -1.82 -0.20 0.00 0.00 0.00 0.00 46.02 44.05 1iqa n GLY 228 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1iqa s SER 229 N -4.00 2.31 0.53 1.61 0.01 -1.26 -4.35 113.70 108.55 1iqa s SER 229 Ca 0.00 -1.26 -0.17 0.00 1.31 0.00 0.00 55.95 55.83 1iqa s SER 229 Cb 0.00 -0.08 -0.07 0.00 0.21 0.00 0.00 66.02 66.08 1iqa s SER 229 CO 0.00 -0.48 1.01 0.68 0.41 0.00 0.00 173.24 174.86 1iqa s VAL 230 N -3.24 4.18 0.52 3.43 -7.23 -1.26 -4.96 120.40 111.83 1iqa s VAL 230 Ca 0.31 1.10 0.18 0.00 -1.81 0.00 0.00 61.98 61.76 1iqa s VAL 230 Cb 0.06 -3.56 0.30 0.00 0.56 0.00 0.00 36.38 33.74 1iqa s VAL 230 CO 0.12 -0.54 2.11 1.55 -0.31 0.00 0.00 175.10 178.02 1iqa h PRO 231 N 0.89 0.03 -3.09 4.82 0.13 -1.98 -3.44 132.00 129.37 1iqa h PRO 231 Ca -0.47 -0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.63 1iqa h PRO 231 Cb 1.20 -0.01 -0.12 0.00 0.13 0.00 0.00 31.00 32.20 1iqa h PRO 231 CO 0.60 0.02 0.15 0.99 -0.23 0.00 0.00 178.00 179.53 1iqa s THR 232 N -5.08 0.02 0.12 1.56 2.01 -1.26 -5.04 115.64 107.96 1iqa s THR 232 Ca -0.05 -0.18 -0.20 0.00 0.31 0.00 0.00 61.69 61.57 1iqa s THR 232 Cb 0.18 -1.09 -0.06 0.00 0.01 0.00 0.00 72.50 71.54 1iqa s THR 232 CO 0.69 -0.07 1.75 0.44 -0.69 0.00 0.00 174.62 176.74 1iqa h ASP 233 N 2.08 0.08 -3.77 3.53 3.45 -1.87 -3.39 116.42 116.52 1iqa h ASP 233 Ca -0.33 0.02 -0.66 0.00 0.43 0.00 0.00 57.03 56.48 1iqa h ASP 233 Cb 1.30 0.01 -0.19 0.00 -0.56 0.00 0.00 39.33 39.89 1iqa h ASP 233 CO 0.39 0.07 -0.50 -0.31 -1.57 0.00 0.00 179.24 177.32 1iqa s TYR 234 N -6.18 3.22 0.35 4.55 1.51 -1.26 -2.30 117.35 117.24 1iqa s TYR 234 Ca -0.13 -0.12 0.07 0.00 -1.01 0.00 0.00 57.07 55.88 1iqa s TYR 234 Cb 0.09 -2.43 -0.03 0.00 -0.11 0.00 0.00 41.96 39.48 1iqa s TYR 234 CO 0.69 -0.30 0.31 -0.51 -1.11 0.00 0.00 175.55 174.63 1iqa s LEU 235 N 1.73 3.59 -0.28 -1.29 1.43 -0.13 -4.94 118.68 118.78 1iqa s LEU 235 Ca 0.06 -0.52 -0.01 0.00 -1.03 0.00 0.00 54.13 52.63 1iqa s LEU 235 Cb -0.17 -2.22 0.09 0.00 0.03 0.00 0.00 46.19 43.92 1iqa s LEU 235 CO 0.10 -0.40 0.08 -1.58 0.23 0.00 0.00 176.35 174.78 1iqa s GLN 236 N -4.02 0.71 -0.07 1.70 0.74 -1.26 -1.39 119.66 116.07 1iqa s GLN 236 Ca 0.42 -0.88 -0.09 0.00 0.05 0.00 0.00 55.36 54.86 1iqa s GLN 236 Cb -0.06 -2.00 -0.05 0.00 1.10 0.00 0.00 33.01 32.01 1iqa s GLN 236 CO 0.27 -0.89 0.23 -0.51 -0.55 0.00 0.00 175.29 173.84 1iqa s LEU 237 N 1.69 4.41 -0.23 3.68 1.43 -0.21 -4.58 118.68 124.87 1iqa s LEU 237 Ca 0.06 0.61 -0.27 0.00 -1.03 0.00 0.00 54.13 53.50 1iqa s LEU 237 Cb -0.17 -2.30 0.13 0.00 0.03 0.00 0.00 46.19 43.88 1iqa s LEU 237 CO -0.21 0.36 1.07 0.54 0.23 0.00 0.00 176.35 178.34 1iqa s VAL 239 N -1.09 0.00 -0.06 -1.59 0.11 -0.33 -0.89 120.40 116.55 1iqa s VAL 239 Ca 0.19 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.25 1iqa s VAL 239 Cb -0.13 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 33.74 1iqa s VAL 239 CO 0.08 0.00 -0.05 -0.31 -3.33 0.00 0.00 175.10 171.49 1iqa s TYR 240 N -0.39 0.91 -0.35 1.54 1.51 0.39 -1.71 117.35 119.25 1iqa s TYR 240 Ca 0.02 -0.29 -0.10 0.00 -1.01 0.00 0.00 57.07 55.68 1iqa s TYR 240 Cb -0.03 -0.79 0.01 0.00 -0.11 0.00 0.00 41.96 41.05 1iqa s TYR 240 CO -0.04 -0.24 0.18 0.08 -1.11 0.00 0.00 175.55 174.42 1iqa s VAL 241 N 1.05 4.55 -0.12 0.71 1.01 -1.26 -1.46 120.40 124.88 1iqa s VAL 241 Ca -0.09 -0.70 -0.06 0.00 0.00 0.00 0.00 61.98 61.13 1iqa s VAL 241 Cb -0.14 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.74 1iqa s VAL 241 CO -0.00 -0.12 0.11 -0.69 0.00 0.00 0.00 175.10 174.40 1iqa s VAL 242 N 1.57 5.25 -0.02 2.92 1.01 -0.51 0.86 120.40 131.48 1iqa s VAL 242 Ca 0.03 0.11 0.05 0.00 0.00 0.00 0.00 61.98 62.17 1iqa s VAL 242 Cb -0.18 -3.28 -0.03 0.00 0.00 0.00 0.00 36.38 32.89 1iqa s VAL 242 CO 0.06 0.61 -0.17 -0.75 0.00 0.00 0.00 175.10 174.85 1iqa s LYS 243 N -0.92 2.34 0.09 2.72 2.20 0.64 -1.14 119.74 125.67 1iqa s LYS 243 Ca 0.14 -0.80 0.01 0.00 -0.36 0.00 0.00 55.97 54.96 1iqa s LYS 243 Cb -0.12 -2.28 -0.04 0.00 -1.51 0.00 0.00 37.83 33.88 1iqa s LYS 243 CO 0.03 0.59 -0.06 0.99 -0.36 0.00 0.00 175.35 176.54 1iqa s THR 244 N -0.77 0.64 0.01 3.43 2.01 -0.10 -1.92 115.64 118.94 1iqa s THR 244 Ca 0.12 -1.91 0.05 0.00 0.31 0.00 0.00 61.69 60.26 1iqa s THR 244 Cb -0.10 -1.65 -0.02 0.00 0.01 0.00 0.00 72.50 70.73 1iqa s THR 244 CO 0.02 -0.88 -0.16 -0.55 -0.69 0.00 0.00 174.62 172.36 1iqa s SER 245 N -3.01 1.84 0.00 3.53 0.15 -1.26 -0.97 113.70 113.97 1iqa s SER 245 Ca 0.11 -0.37 0.00 0.00 0.70 0.00 0.00 55.95 56.39 1iqa s SER 245 Cb 0.05 -0.17 0.00 0.00 -1.71 0.00 0.00 66.02 64.20 1iqa s SER 245 CO -0.05 0.13 0.00 0.00 1.20 0.00 0.00 173.24 174.52 1iqa n ILE 246 N 2.31 0.00 -0.94 6.45 0.13 -1.24 -3.51 119.36 122.56 1iqa n ILE 246 Ca -0.16 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.49 1iqa n ILE 246 Cb 0.55 -0.15 0.00 0.00 -0.84 0.00 0.00 39.64 39.20 1iqa n ILE 246 CO 0.00 0.00 0.00 1.17 2.80 0.00 0.00 176.55 180.52 1iqa n LYS 247 N 0.00 1.12 -2.97 9.51 3.00 -1.26 -4.07 118.16 123.49 1iqa n LYS 247 Ca 0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 58.31 58.12 1iqa n LYS 247 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 35.03 35.03 1iqa n LYS 247 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.40 177.84 1iqa n ILE 248 N -0.61 -0.93 -1.45 3.15 -6.64 -1.26 -4.83 119.36 106.79 1iqa n ILE 248 Ca 0.00 0.00 -0.39 0.00 -1.77 0.00 0.00 62.75 60.59 1iqa n ILE 248 Cb 0.00 -1.92 0.03 0.00 -1.44 0.00 0.00 39.64 36.31 1iqa n ILE 248 CO 0.00 0.00 0.00 -2.65 -1.77 0.00 0.00 176.55 172.13 1iqa n PRO 249 N -3.39 0.50 0.00 6.28 -0.02 -1.23 -4.68 135.00 132.46 1iqa n PRO 249 Ca -0.07 0.19 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 1iqa n PRO 249 Cb 0.57 -1.63 0.00 0.00 -0.02 0.00 0.00 33.50 32.42 1iqa n PRO 249 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1iqa n SER 250 N 0.75 0.00 -4.72 2.55 3.41 -1.26 -4.97 113.62 109.37 1iqa n SER 250 Ca 0.11 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.30 1iqa n SER 250 Cb 0.46 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.39 1iqa n SER 250 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1iqa s SER 251 N 0.00 6.58 -0.04 4.04 1.04 -1.26 -4.55 113.70 119.51 1iqa s SER 251 Ca 0.00 2.65 -0.01 0.00 0.48 0.00 0.00 55.95 59.06 1iqa s SER 251 Cb 0.00 -2.60 0.03 0.00 0.10 0.00 0.00 66.02 63.55 1iqa s SER 251 CO 0.00 -0.81 0.05 -1.00 0.98 0.00 0.00 173.24 172.45 1iqa s HIS 252 N 0.89 0.12 0.05 5.02 3.76 -0.81 -4.99 115.29 119.32 1iqa s HIS 252 Ca 0.68 0.19 -0.31 0.00 -0.15 0.00 0.00 55.06 55.47 1iqa s HIS 252 Cb -0.44 -0.46 -0.06 0.00 1.11 0.00 0.00 32.58 32.73 1iqa s HIS 252 CO 0.34 -0.18 1.32 -0.80 -0.85 0.00 0.00 174.74 174.57 1iqa s ASN 253 N 1.89 6.93 0.05 1.40 -0.87 -1.26 -0.26 114.94 122.83 1iqa s ASN 253 Ca 0.02 2.12 0.21 0.00 -1.57 0.00 0.00 52.86 53.64 1iqa s ASN 253 Cb -0.12 -2.57 -0.18 0.00 -0.02 0.00 0.00 41.25 38.35 1iqa s ASN 253 CO -0.03 -0.61 0.70 0.18 -2.57 0.00 0.00 177.10 174.77 1iqa n LEU 254 N 4.45 0.43 -3.61 0.60 4.77 0.25 -4.91 117.00 118.98 1iqa n LEU 254 Ca 0.11 0.17 -0.07 0.00 -0.03 0.00 0.00 56.01 56.19 1iqa n LEU 254 Cb 0.44 0.03 -0.05 0.00 -2.33 0.00 0.00 43.42 41.51 1iqa n LEU 254 CO 0.57 -0.00 0.93 -0.75 -1.33 0.00 0.00 177.39 176.81 1iqa s LYS 256 N -3.29 0.37 0.20 3.23 2.20 -1.26 -4.99 119.74 116.19 1iqa s LYS 256 Ca -0.05 0.13 -0.14 0.00 -0.36 0.00 0.00 55.97 55.55 1iqa s LYS 256 Cb 0.11 0.18 0.01 0.00 -1.51 0.00 0.00 37.83 36.62 1iqa s LYS 256 CO 0.85 -0.11 0.45 0.20 -0.36 0.00 0.00 175.35 176.38 1iqa s GLY 257 N -0.89 0.20 0.00 5.54 0.00 -0.69 -4.99 107.32 106.49 1iqa s GLY 257 Ca 0.03 -0.56 0.00 0.00 0.00 0.00 0.00 44.72 44.19 1iqa s GLY 257 CO -0.03 -0.50 0.00 0.61 0.00 0.00 0.00 173.10 173.18 1iqa n GLY 258 N -0.32 -1.19 3.47 0.20 0.00 -1.26 -1.19 105.19 104.90 1iqa n GLY 258 Ca -0.07 -1.47 -0.10 0.00 0.00 0.00 0.00 46.02 44.37 1iqa n GLY 258 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1iqa s SER 259 N -2.08 -0.47 -0.11 1.61 0.15 -0.07 -5.02 113.70 107.71 1iqa s SER 259 Ca 0.00 0.04 -0.06 0.00 0.70 0.00 0.00 55.95 56.63 1iqa s SER 259 Cb 0.00 0.49 -0.04 0.00 -1.71 0.00 0.00 66.02 64.76 1iqa s SER 259 CO 0.00 -0.77 0.11 0.42 1.20 0.00 0.00 173.24 174.20 1iqa s THR 260 N -3.27 5.27 0.03 6.45 -4.23 -1.26 -1.05 115.64 117.59 1iqa s THR 260 Ca 0.02 0.12 0.02 0.00 -1.18 0.00 0.00 61.69 60.67 1iqa s THR 260 Cb -0.01 -3.28 -0.02 0.00 1.34 0.00 0.00 72.50 70.53 1iqa s THR 260 CO -0.10 0.62 -0.07 -0.54 -0.54 0.00 0.00 174.62 173.99 1iqa s LYS 261 N -1.00 0.47 -0.54 3.99 -0.14 -0.48 -4.97 119.74 117.07 1iqa s LYS 261 Ca 0.15 -0.68 -0.09 0.00 -1.36 0.00 0.00 55.97 53.99 1iqa s LYS 261 Cb -0.12 -0.22 0.14 0.00 -1.68 0.00 0.00 37.83 35.95 1iqa s LYS 261 CO 0.04 0.04 0.41 1.21 -0.76 0.00 0.00 175.35 176.29 1iqa s ASN 262 N -1.44 5.77 -0.81 2.83 2.47 -1.26 -0.95 114.94 121.56 1iqa s ASN 262 Ca -0.10 -2.15 -0.07 0.00 0.42 0.00 0.00 52.86 50.96 1iqa s ASN 262 Cb -0.09 -2.02 0.21 0.00 -1.45 0.00 0.00 41.25 37.90 1iqa s ASN 262 CO 0.00 -0.63 0.70 0.26 -3.72 0.00 0.00 177.10 173.70 1iqa s TRP 263 N 1.00 3.72 0.10 0.43 0.52 -0.97 -5.01 118.94 118.74 1iqa s TRP 263 Ca 0.09 -2.52 -0.14 0.00 0.02 0.00 0.00 56.10 53.54 1iqa s TRP 263 Cb -0.23 -3.50 0.02 0.00 -1.15 0.00 0.00 33.47 28.61 1iqa s TRP 263 CO -0.02 -0.89 0.34 -1.54 0.02 0.00 0.00 176.95 174.86 1iqa s SER 264 N 1.11 -0.13 0.00 2.95 1.04 -1.26 -4.68 113.70 112.73 1iqa s SER 264 Ca 0.21 -0.37 0.00 0.00 0.48 0.00 0.00 55.95 56.27 1iqa s SER 264 Cb -0.13 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.41 1iqa s SER 264 CO -0.07 -0.79 0.00 0.61 0.98 0.00 0.00 173.24 173.97 1iqa n GLY 265 N -0.06 0.02 0.00 7.32 0.00 -1.26 -4.48 105.19 106.73 1iqa n GLY 265 Ca -0.16 0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1iqa n GLY 265 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1iqa n ASN 266 N 0.13 0.00 -3.64 1.61 3.02 -1.26 -4.32 115.26 110.81 1iqa n ASN 266 Ca 0.00 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.45 1iqa n ASN 266 Cb 0.00 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.10 1iqa n ASN 266 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1iqa s SER 267 N 0.00 -0.67 0.00 6.41 0.01 -1.26 -4.99 113.70 113.19 1iqa s SER 267 Ca 0.00 1.22 0.00 0.00 1.31 0.00 0.00 55.95 58.48 1iqa s SER 267 Cb 0.00 1.25 0.00 0.00 0.21 0.00 0.00 66.02 67.48 1iqa s SER 267 CO 0.00 -0.20 0.42 -1.84 0.41 0.00 0.00 173.24 172.02 1iqa n GLU 268 N 3.01 0.00 -3.95 12.44 -0.00 -1.26 -4.30 120.64 126.58 1iqa n GLU 268 Ca -0.15 0.07 -0.27 0.00 -0.00 0.00 0.00 57.16 56.80 1iqa n GLU 268 Cb 0.56 -1.54 -0.17 0.00 -0.00 0.00 0.00 31.44 30.30 1iqa n GLU 268 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.13 177.25 1iqa s PHE 269 N -1.84 1.62 0.03 -1.84 5.36 -1.25 0.16 117.98 120.22 1iqa s PHE 269 Ca 0.00 -0.83 0.06 0.00 -0.96 0.00 0.00 56.93 55.20 1iqa s PHE 269 Cb 0.00 -1.30 -0.02 0.00 -0.34 0.00 0.00 43.02 41.36 1iqa s PHE 269 CO 0.00 -0.54 -0.17 -1.01 -1.46 0.00 0.00 175.22 172.05 1iqa s HIS 270 N 1.63 1.47 -0.04 10.12 3.76 0.10 -4.96 115.29 127.37 1iqa s HIS 270 Ca 0.04 -0.35 -0.20 0.00 -0.15 0.00 0.00 55.06 54.41 1iqa s HIS 270 Cb -0.13 -0.88 0.04 0.00 1.11 0.00 0.00 32.58 32.72 1iqa s HIS 270 CO -0.08 0.05 0.45 0.12 -0.85 0.00 0.00 174.74 174.42 1iqa s PHE 271 N -0.75 -0.37 -0.28 1.40 5.36 -1.26 0.83 117.98 122.91 1iqa s PHE 271 Ca 0.04 0.65 -0.22 0.00 -0.96 0.00 0.00 56.93 56.45 1iqa s PHE 271 Cb -0.08 0.21 0.11 0.00 -0.34 0.00 0.00 43.02 42.92 1iqa s PHE 271 CO 0.01 -0.45 0.91 -0.47 -1.46 0.00 0.00 175.22 173.77 1iqa s TYR 272 N -1.13 -0.64 0.21 10.12 5.04 0.35 -4.97 117.35 126.33 1iqa s TYR 272 Ca -0.11 1.44 0.10 0.00 -2.44 0.00 0.00 57.07 56.05 1iqa s TYR 272 Cb -0.03 0.38 -0.05 0.00 0.35 0.00 0.00 41.96 42.61 1iqa s TYR 272 CO 0.06 -0.31 -0.18 -1.54 -1.34 0.00 0.00 175.55 172.24 1iqa s SER 273 N 0.70 2.98 0.03 4.32 1.04 -1.26 -0.66 113.70 120.85 1iqa s SER 273 Ca -0.02 -0.96 0.03 0.00 0.48 0.00 0.00 55.95 55.48 1iqa s SER 273 Cb -0.05 -0.20 -0.02 0.00 0.10 0.00 0.00 66.02 65.86 1iqa s SER 273 CO -0.09 -0.04 -0.08 -0.63 0.98 0.00 0.00 173.24 173.38 1iqa s ILE 274 N -2.42 0.63 -0.00 -1.02 1.01 0.17 -4.96 121.20 114.60 1iqa s ILE 274 Ca 0.22 -0.79 0.00 0.00 0.00 0.00 0.00 60.65 60.09 1iqa s ILE 274 Cb -0.04 -0.62 0.00 0.00 0.01 0.00 0.00 42.46 41.81 1iqa s ILE 274 CO 0.09 -0.13 -0.01 0.21 0.00 0.00 0.00 174.94 175.10 1iqa s ASN 275 N -1.01 0.15 0.00 3.58 3.84 -1.26 -0.17 114.94 120.08 1iqa s ASN 275 Ca -0.03 -0.02 -0.03 0.00 0.21 0.00 0.00 52.86 52.99 1iqa s ASN 275 Cb -0.07 -0.03 -0.01 0.00 -0.55 0.00 0.00 41.25 40.59 1iqa s ASN 275 CO 0.00 -0.00 0.05 0.68 -2.79 0.00 0.00 177.10 175.04 1iqa s VAL 276 N 0.13 0.07 -0.00 -5.21 -7.23 -0.71 -4.96 120.40 102.49 1iqa s VAL 276 Ca -0.01 -0.62 -0.21 0.00 -1.81 0.00 0.00 61.98 59.33 1iqa s VAL 276 Cb -0.02 -0.28 0.04 0.00 0.56 0.00 0.00 36.38 36.68 1iqa s VAL 276 CO -0.00 -0.34 0.47 -0.83 -0.31 0.00 0.00 175.10 174.08 1iqa s GLY 277 N -1.08 -0.34 -0.21 2.32 0.00 -1.26 -1.32 107.32 105.44 1iqa s GLY 277 Ca -0.12 0.64 -0.34 0.00 0.00 0.00 0.00 44.72 44.90 1iqa s GLY 277 CO 0.00 0.37 1.23 -0.32 0.00 0.00 0.00 173.10 174.38 1iqa s GLY 278 N -1.53 -0.24 -0.36 0.20 0.00 -0.01 -4.98 107.32 100.41 1iqa s GLY 278 Ca -0.10 1.80 -0.15 0.00 0.00 0.00 0.00 44.72 46.27 1iqa s GLY 278 CO 0.04 0.64 0.37 -0.12 0.00 0.00 0.00 173.10 174.03 1iqa s PHE 279 N -2.14 3.20 0.10 1.90 5.36 -1.26 0.09 117.98 125.24 1iqa s PHE 279 Ca 0.09 -0.10 0.08 0.00 -0.96 0.00 0.00 56.93 56.04 1iqa s PHE 279 Cb -0.01 -2.70 -0.03 0.00 -0.34 0.00 0.00 43.02 39.94 1iqa s PHE 279 CO -0.04 -0.48 -0.21 -0.06 -1.46 0.00 0.00 175.22 172.97 1iqa s PHE 280 N 2.02 1.77 -0.16 10.12 0.40 0.02 -4.97 117.98 127.18 1iqa s PHE 280 Ca 0.12 -0.42 -0.21 0.00 -0.60 0.00 0.00 56.93 55.82 1iqa s PHE 280 Cb -0.17 -0.97 -0.03 0.00 0.51 0.00 0.00 43.02 42.36 1iqa s PHE 280 CO 0.12 0.20 0.62 0.21 0.70 0.00 0.00 175.22 177.07 1iqa s LYS 281 N -1.92 4.27 0.07 0.44 2.20 -1.26 -0.73 119.74 122.81 1iqa s LYS 281 Ca 0.06 0.64 0.07 0.00 -0.36 0.00 0.00 55.97 56.38 1iqa s LYS 281 Cb -0.10 -3.53 -0.03 0.00 -1.51 0.00 0.00 37.83 32.66 1iqa s LYS 281 CO 0.04 -0.12 -0.19 -0.51 -0.36 0.00 0.00 175.35 174.21 1iqa s LEU 282 N 1.51 2.23 -0.03 5.43 1.43 0.21 -4.98 118.68 124.49 1iqa s LEU 282 Ca 0.30 -0.58 0.06 0.00 -1.03 0.00 0.00 54.13 52.88 1iqa s LEU 282 Cb -0.16 -0.81 -0.02 0.00 0.03 0.00 0.00 46.19 45.22 1iqa s LEU 282 CO 0.12 0.07 -0.21 -0.13 0.23 0.00 0.00 176.35 176.43 1iqa s ARG 283 N -1.52 2.25 0.30 1.70 3.00 -1.26 -0.91 118.95 122.52 1iqa s ARG 283 Ca 0.05 -0.85 -0.26 0.00 0.00 0.00 0.00 55.73 54.67 1iqa s ARG 283 Cb -0.09 -2.18 -0.15 0.00 0.00 0.00 0.00 34.95 32.53 1iqa s ARG 283 CO 0.03 0.58 0.57 0.00 0.00 0.00 0.00 175.30 176.48 1iqa n ALA 284 N 2.32 -1.97 0.00 2.13 0.00 -1.26 -0.62 120.51 121.10 1iqa n ALA 284 Ca -0.16 0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1iqa n ALA 284 Cb 0.52 -1.72 0.00 0.00 0.00 0.00 0.00 19.45 18.24 1iqa n ALA 284 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iqa n GLY 285 N 1.82 3.21 3.82 0.00 0.00 0.85 -4.96 105.19 109.93 1iqa n GLY 285 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 1iqa n GLY 285 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1iqa s GLU 286 N -0.50 4.27 -0.04 1.61 2.02 0.21 -3.60 118.70 122.66 1iqa s GLU 286 Ca 0.00 1.11 0.06 0.00 0.02 0.00 0.00 54.97 56.16 1iqa s GLU 286 Cb 0.00 -2.30 -0.01 0.00 0.10 0.00 0.00 34.13 31.92 1iqa s GLU 286 CO 0.00 0.04 -0.22 -1.21 0.02 0.00 0.00 175.26 173.89 1iqa s GLU 287 N -2.98 2.08 -0.18 1.61 2.02 -0.15 -0.11 118.70 121.00 1iqa s GLU 287 Ca 0.59 -0.79 -0.05 0.00 0.02 0.00 0.00 54.97 54.74 1iqa s GLU 287 Cb -0.11 -1.85 -0.03 0.00 0.10 0.00 0.00 34.13 32.24 1iqa s GLU 287 CO 0.15 0.38 0.01 0.42 0.02 0.00 0.00 175.26 176.24 1iqa s ILE 288 N -0.24 4.24 0.22 -1.63 -1.09 0.23 -0.93 121.20 122.01 1iqa s ILE 288 Ca 0.01 -0.23 0.01 0.00 -2.23 0.00 0.00 60.65 58.21 1iqa s ILE 288 Cb -0.11 -2.90 -0.05 0.00 -1.58 0.00 0.00 42.46 37.82 1iqa s ILE 288 CO 0.02 0.46 0.08 -0.94 -1.23 0.00 0.00 174.94 173.33 1iqa s SER 289 N 0.54 1.00 -0.07 3.58 1.04 -0.29 -0.08 113.70 119.41 1iqa s SER 289 Ca -0.00 -1.33 0.03 0.00 0.48 0.00 0.00 55.95 55.13 1iqa s SER 289 Cb -0.14 0.19 0.01 0.00 0.10 0.00 0.00 66.02 66.18 1iqa s SER 289 CO 0.02 -0.71 -0.16 -0.63 0.98 0.00 0.00 173.24 172.74 1iqa s ILE 290 N -3.81 1.41 0.06 -1.02 -1.09 -1.26 -1.43 121.20 114.06 1iqa s ILE 290 Ca 0.34 -0.65 0.08 0.00 -2.23 0.00 0.00 60.65 58.19 1iqa s ILE 290 Cb 0.07 -1.25 -0.03 0.00 -1.58 0.00 0.00 42.46 39.68 1iqa s ILE 290 CO 0.11 0.41 -0.23 -1.10 -1.23 0.00 0.00 174.94 172.90 1iqa s GLN 291 N 0.46 1.48 0.07 2.79 -0.21 -0.53 -0.60 119.66 123.12 1iqa s GLN 291 Ca -0.13 -1.06 -0.01 0.00 0.02 0.00 0.00 55.36 54.18 1iqa s GLN 291 Cb -0.15 -1.67 -0.04 0.00 1.00 0.00 0.00 33.01 32.15 1iqa s GLN 291 CO 0.05 0.42 0.00 0.14 -2.12 0.00 0.00 175.29 173.78 1iqa s VAL 292 N -0.87 0.19 0.68 1.09 -7.23 -0.57 -0.46 120.40 113.22 1iqa s VAL 292 Ca 0.09 -1.81 0.01 0.00 -1.81 0.00 0.00 61.98 58.46 1iqa s VAL 292 Cb -0.09 -1.65 0.11 0.00 0.56 0.00 0.00 36.38 35.31 1iqa s VAL 292 CO 0.03 -0.85 0.94 -0.94 -0.31 0.00 0.00 175.10 173.97 1iqa s SER 293 N -2.95 4.57 -0.61 4.85 1.04 -1.26 -1.16 113.70 118.18 1iqa s SER 293 Ca 0.11 -0.35 -0.11 0.00 0.48 0.00 0.00 55.95 56.08 1iqa s SER 293 Cb 0.08 -0.13 0.02 0.00 0.10 0.00 0.00 66.02 66.08 1iqa s SER 293 CO -0.07 -1.70 0.20 0.59 0.98 0.00 0.00 173.24 173.25 1iqa n ASN 294 N -2.70 -1.08 0.21 7.02 4.13 -0.98 -4.76 115.26 117.10 1iqa n ASN 294 Ca 0.14 -0.60 0.14 0.00 1.68 0.00 0.00 54.58 55.94 1iqa n ASN 294 Cb 0.61 -0.72 0.73 0.00 -1.54 0.00 0.00 39.78 38.85 1iqa n ASN 294 CO 0.00 0.00 0.00 1.55 0.28 0.00 0.00 177.26 179.09 1iqa h PRO 295 N 0.21 0.00 -0.00 3.52 0.13 -1.79 -0.91 132.00 133.16 1iqa h PRO 295 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1iqa h PRO 295 Cb 0.64 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.77 1iqa h PRO 295 CO 0.27 0.00 -0.00 -1.13 -0.23 0.00 0.00 178.00 176.90 1iqa n SER 296 N -2.50 0.05 -0.56 1.44 3.41 -1.24 -2.82 113.62 111.41 1iqa n SER 296 Ca -0.01 -0.76 0.09 0.00 -0.26 0.00 0.00 58.87 57.93 1iqa n SER 296 Cb 0.09 -0.08 0.03 0.00 -0.26 0.00 0.00 64.21 63.99 1iqa n SER 296 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1iqa n LEU 297 N -1.05 2.11 -4.59 1.04 4.77 -0.35 -5.03 117.00 113.91 1iqa n LEU 297 Ca 0.21 -0.87 -0.40 0.00 -0.03 0.00 0.00 56.01 54.92 1iqa n LEU 297 Cb 0.16 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.27 1iqa n LEU 297 CO 0.20 0.38 0.50 0.18 -1.33 0.00 0.00 177.39 177.32 1iqa n LEU 298 N 0.42 2.57 -4.66 2.23 4.77 -1.13 -1.59 117.00 119.61 1iqa n LEU 298 Ca 0.09 0.95 -0.40 0.00 -0.03 0.00 0.00 56.01 56.61 1iqa n LEU 298 Cb 0.42 -1.33 -0.06 0.00 -2.33 0.00 0.00 43.42 40.12 1iqa n LEU 298 CO 0.18 -1.78 0.43 -0.62 -1.33 0.00 0.00 177.39 174.26 1iqa s ASP 299 N -0.90 6.72 0.39 -1.43 -1.08 0.12 -4.77 116.67 115.71 1iqa s ASP 299 Ca 0.67 0.88 0.27 0.00 -0.52 0.00 0.00 52.55 53.84 1iqa s ASP 299 Cb -0.51 -2.37 0.86 0.00 -1.46 0.00 0.00 42.92 39.44 1iqa s ASP 299 CO 0.54 -0.32 1.77 1.55 0.52 0.00 0.00 175.17 179.24 1iqa h PRO 300 N 7.52 0.00 -7.02 4.34 0.13 -1.92 -3.39 132.00 131.66 1iqa h PRO 300 Ca -0.30 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.28 1iqa h PRO 300 Cb 1.14 0.00 0.13 0.00 0.13 0.00 0.00 31.00 32.39 1iqa h PRO 300 CO 0.79 0.00 0.65 -0.51 -0.23 0.00 0.00 178.00 178.70 1iqa s ASP 301 N -5.31 5.58 0.61 1.44 1.01 -1.26 -4.73 116.67 114.01 1iqa s ASP 301 Ca 0.06 2.83 0.39 0.00 0.71 0.00 0.00 52.55 56.53 1iqa s ASP 301 Cb 0.09 -2.64 1.92 0.00 1.01 0.00 0.00 42.92 43.30 1iqa s ASP 301 CO 0.56 -1.37 2.20 0.06 0.21 0.00 0.00 175.17 176.83 1iqa h GLN 302 N 1.89 0.00 -0.00 8.23 3.07 -1.88 -1.53 115.11 124.89 1iqa h GLN 302 Ca -0.51 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.23 1iqa h GLN 302 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.84 1iqa h GLN 302 CO 0.59 0.01 -0.52 -0.40 0.09 0.00 0.00 178.83 178.60 1iqa n ASP 303 N -3.16 0.98 -0.10 0.06 5.75 -1.26 -4.43 116.55 114.39 1iqa n ASP 303 Ca -0.02 -0.78 -0.22 0.00 -0.01 0.00 0.00 54.79 53.77 1iqa n ASP 303 Cb 0.18 0.40 -0.12 0.00 -1.03 0.00 0.00 41.12 40.54 1iqa n ASP 303 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1iqa n ALA 304 N -1.03 1.19 -3.98 2.12 0.00 -0.60 -4.94 120.51 113.27 1iqa n ALA 304 Ca 0.08 -0.93 -0.30 0.00 0.00 0.00 0.00 53.44 52.28 1iqa n ALA 304 Cb 0.36 -0.21 -0.16 0.00 0.00 0.00 0.00 19.45 19.44 1iqa n ALA 304 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1iqa s THR 305 N -2.51 1.54 0.26 0.00 2.01 -1.04 -3.17 115.64 112.74 1iqa s THR 305 Ca -0.33 -0.91 -0.21 0.00 0.31 0.00 0.00 61.69 60.56 1iqa s THR 305 Cb 0.10 -1.62 0.05 0.00 0.01 0.00 0.00 72.50 71.04 1iqa s THR 305 CO 0.60 0.19 0.85 -0.72 -0.69 0.00 0.00 174.62 174.85 1iqa s TYR 306 N 1.45 -0.04 0.10 4.92 -0.85 -0.27 -2.36 117.35 120.30 1iqa s TYR 306 Ca -0.00 -0.43 -0.24 0.00 -0.52 0.00 0.00 57.07 55.88 1iqa s TYR 306 Cb -0.16 0.73 0.07 0.00 0.38 0.00 0.00 41.96 42.98 1iqa s TYR 306 CO -0.08 -1.18 0.60 -0.59 -1.52 0.00 0.00 175.55 172.77 1iqa s PHE 307 N -3.02 -0.53 0.09 -3.49 -0.12 -0.28 -1.08 117.98 109.54 1iqa s PHE 307 Ca 0.14 0.48 -0.15 0.00 -0.05 0.00 0.00 56.93 57.35 1iqa s PHE 307 Cb -0.04 0.49 0.05 0.00 -0.63 0.00 0.00 43.02 42.89 1iqa s PHE 307 CO 0.07 -0.77 0.71 0.41 -0.05 0.00 0.00 175.22 175.58 1iqa n GLY 308 N -0.03 0.72 3.47 1.99 0.00 -0.15 -0.30 105.19 110.89 1iqa n GLY 308 Ca -0.17 -1.04 -0.13 0.00 0.00 0.00 0.00 46.02 44.67 1iqa n GLY 308 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iqa s ALA 309 N -1.67 -1.70 -0.19 4.61 0.00 0.42 -1.81 121.76 121.42 1iqa s ALA 309 Ca 0.16 0.89 -0.13 0.00 0.00 0.00 0.00 51.96 52.88 1iqa s ALA 309 Cb -0.01 0.44 0.06 0.00 0.00 0.00 0.00 23.12 23.61 1iqa s ALA 309 CO 0.03 -0.60 0.48 -0.59 0.00 0.00 0.00 175.76 175.07 1iqa s PHE 310 N -2.69 -0.65 0.24 0.00 -0.12 -0.98 -0.07 117.98 113.71 1iqa s PHE 310 Ca -0.02 1.42 -0.30 0.00 -0.05 0.00 0.00 56.93 57.98 1iqa s PHE 310 Cb -0.01 0.30 -0.09 0.00 -0.63 0.00 0.00 43.02 42.59 1iqa s PHE 310 CO -0.04 -0.34 1.29 0.21 -0.05 0.00 0.00 175.22 176.28 1iqa s LYS 311 N 1.08 4.40 -0.16 1.99 2.20 -1.05 -1.50 119.74 126.69 1iqa s LYS 311 Ca -0.07 2.08 0.07 0.00 -0.36 0.00 0.00 55.97 57.70 1iqa s LYS 311 Cb -0.06 -3.16 -0.15 0.00 -1.51 0.00 0.00 37.83 32.95 1iqa s LYS 311 CO -0.10 -0.19 -0.05 0.28 -0.36 0.00 0.00 175.35 174.93 1iqa n VAL 312 N 2.01 1.00 -3.66 4.02 0.31 0.13 -4.92 118.33 117.21 1iqa n VAL 312 Ca 0.04 -0.50 -0.07 0.00 -0.01 0.00 0.00 64.34 63.80 1iqa n VAL 312 Cb 0.43 -0.87 -0.02 0.00 -0.91 0.00 0.00 33.84 32.47 1iqa n VAL 312 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1iqa s GLN 313 N -2.35 1.27 0.61 5.55 -2.07 -1.09 -5.00 119.66 116.58 1iqa s GLN 313 Ca -0.15 -0.62 -0.11 0.00 -1.82 0.00 0.00 55.36 52.65 1iqa s GLN 313 Cb 0.05 0.49 -0.04 0.00 -1.09 0.00 0.00 33.01 32.42 1iqa s GLN 313 CO 0.50 -0.57 1.02 -0.51 -1.32 0.00 0.00 175.29 174.40 1iqa s ASP 314 N -2.80 6.25 0.15 12.60 1.11 -1.26 0.13 116.67 132.86 1iqa s ASP 314 Ca 0.08 1.41 -0.31 0.00 0.18 0.00 0.00 52.55 53.91 1iqa s ASP 314 Cb -0.02 -2.47 -0.11 0.00 1.07 0.00 0.00 42.92 41.39 1iqa s ASP 314 CO -0.02 -0.85 1.81 -0.38 1.18 0.00 0.00 175.17 176.91 1iqa n ILE 315 N -2.68 0.26 -1.45 0.77 5.41 -1.26 -4.61 119.36 115.80 1iqa n ILE 315 Ca 0.06 -0.05 0.00 0.00 1.00 0.00 0.00 62.75 63.76 1iqa n ILE 315 Cb 0.54 -2.10 0.00 0.00 -0.71 0.00 0.00 39.64 37.37 1iqa n ILE 315 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65