#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yqa s ALA 172 N 0.00 2.21 0.13 3.14 0.00 -1.26 -4.97 121.76 121.00 1yqa s ALA 172 Ca 0.00 -0.25 -0.17 0.00 0.00 0.00 0.00 51.96 51.55 1yqa s ALA 172 Cb 0.00 -3.10 -0.02 0.00 0.00 0.00 0.00 23.12 20.01 1yqa s ALA 172 CO 0.00 -1.78 1.69 0.77 0.00 0.00 0.00 175.76 176.44 1yqa h SER 173 N -1.13 0.50 -3.52 0.00 0.02 -2.06 -3.39 113.55 103.97 1yqa h SER 173 Ca -0.47 -0.15 -0.61 0.00 -0.84 0.00 0.00 61.79 59.72 1yqa h SER 173 Cb 1.28 -0.13 -0.12 0.00 0.14 0.00 0.00 62.40 63.57 1yqa h SER 173 CO 0.60 0.51 -0.18 -0.55 -1.14 0.00 0.00 176.83 176.07 1yqa s SER 174 N -5.78 6.43 0.00 3.07 0.15 -1.26 -5.00 113.70 111.31 1yqa s SER 174 Ca -0.13 0.50 0.00 0.00 0.70 0.00 0.00 55.95 57.02 1yqa s SER 174 Cb 0.10 -2.24 0.00 0.00 -1.71 0.00 0.00 66.02 62.17 1yqa s SER 174 CO 0.74 -0.12 0.00 -0.81 1.20 0.00 0.00 173.24 174.26 1yqa n PRO 175 N 4.69 3.37 0.00 5.44 -0.04 -1.26 -5.05 135.00 142.15 1yqa n PRO 175 Ca -0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 1yqa n PRO 175 Cb 0.51 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.97 1yqa n PRO 175 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1yqa n SER 176 N 0.00 0.00 -4.29 3.54 2.88 -1.26 -4.65 113.62 109.84 1yqa n SER 176 Ca 0.00 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 57.20 1yqa n SER 176 Cb 0.00 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.31 1yqa n SER 176 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1yqa s SER 177 N -2.96 3.95 0.23 -3.46 0.01 -1.26 -4.80 113.70 105.41 1yqa s SER 177 Ca 0.00 -0.42 -0.19 0.00 1.31 0.00 0.00 55.95 56.65 1yqa s SER 177 Cb 0.00 -1.64 0.07 0.00 0.21 0.00 0.00 66.02 64.66 1yqa s SER 177 CO 0.00 0.05 0.92 0.18 0.41 0.00 0.00 173.24 174.81 1yqa n LEU 178 N 4.28 0.00 -4.82 2.44 4.77 -1.26 -5.08 117.00 117.33 1yqa n LEU 178 Ca -0.19 -1.69 -0.34 0.00 -0.03 0.00 0.00 56.01 53.76 1yqa n LEU 178 Cb 0.51 2.95 -0.07 0.00 -2.33 0.00 0.00 43.42 44.49 1yqa n LEU 178 CO 0.29 -0.56 0.56 -0.89 -1.33 0.00 0.00 177.39 175.45 1yqa s THR 179 N -2.10 4.45 0.26 -5.08 2.01 -1.26 -4.87 115.64 109.06 1yqa s THR 179 Ca 0.20 1.39 -0.01 0.00 0.31 0.00 0.00 61.69 63.58 1yqa s THR 179 Cb -0.03 -3.73 0.24 0.00 0.01 0.00 0.00 72.50 68.99 1yqa s THR 179 CO 0.07 -0.11 1.75 1.88 -0.69 0.00 0.00 174.62 177.52 1yqa h TYR 180 N 2.48 0.71 -0.75 4.92 -1.99 -2.00 0.10 116.97 120.45 1yqa h TYR 180 Ca -0.48 0.04 -0.03 0.00 2.00 0.00 0.00 58.73 60.25 1yqa h TYR 180 Cb 1.18 -0.19 -0.03 0.00 2.00 0.00 0.00 36.73 39.69 1yqa h TYR 180 CO 0.62 0.14 0.35 -0.22 -0.00 0.00 0.00 178.16 179.05 1yqa h LYS 181 N 0.57 1.09 -0.25 4.88 3.11 -1.91 -2.52 116.57 121.54 1yqa h LYS 181 Ca 0.47 -0.17 -0.10 0.00 -2.81 0.00 0.00 60.65 58.04 1yqa h LYS 181 Cb 0.70 -0.19 -0.01 0.00 -1.00 0.00 0.00 32.23 31.72 1yqa h LYS 181 CO -0.39 0.86 -0.25 0.93 -2.81 0.00 0.00 179.45 177.78 1yqa h GLU 182 N 1.06 0.48 -0.10 1.90 5.08 -1.32 -2.62 114.58 119.08 1yqa h GLU 182 Ca 0.26 -0.18 0.01 0.00 -1.00 0.00 0.00 59.36 58.45 1yqa h GLU 182 Cb 0.13 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1yqa h GLU 182 CO -0.03 0.70 0.00 0.52 -1.00 0.00 0.00 179.01 179.20 1yqa h MET 183 N 0.43 0.04 -0.78 2.33 2.86 -0.47 -2.47 114.93 116.86 1yqa h MET 183 Ca 0.06 -0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.65 1yqa h MET 183 Cb 0.67 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.29 1yqa h MET 183 CO 0.05 0.02 0.28 0.82 1.06 0.00 0.00 176.91 179.14 1yqa h ILE 184 N 0.04 1.26 -0.82 -1.22 2.04 -1.40 0.12 117.51 117.53 1yqa h ILE 184 Ca 0.04 -0.87 0.10 0.00 1.00 0.00 0.00 64.86 65.13 1yqa h ILE 184 Cb 0.05 0.36 -0.06 0.00 -0.74 0.00 0.00 36.82 36.43 1yqa h ILE 184 CO -0.07 0.35 0.54 -0.07 0.00 0.00 0.00 178.15 178.89 1yqa h LEU 185 N 1.15 0.69 0.05 1.44 3.38 -1.14 0.29 115.31 121.17 1yqa h LEU 185 Ca 0.26 0.02 -0.29 0.00 0.09 0.00 0.00 57.88 57.96 1yqa h LEU 185 Cb 0.26 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 1yqa h LEU 185 CO -0.02 0.40 -1.54 0.50 0.09 0.00 0.00 178.44 177.88 1yqa h LYS 186 N 0.76 0.10 -0.22 1.13 1.63 -1.02 -3.36 116.57 115.60 1yqa h LYS 186 Ca 0.38 -0.18 -0.16 0.00 -0.85 0.00 0.00 60.65 59.85 1yqa h LYS 186 Cb 0.46 0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 32.15 1yqa h LYS 186 CO -0.15 0.86 -0.50 0.77 -3.45 0.00 0.00 179.45 176.97 1yqa h SER 187 N 0.03 0.66 -0.23 4.20 0.02 -0.21 -3.32 113.55 114.70 1yqa h SER 187 Ca -0.23 -0.34 0.06 0.00 -0.84 0.00 0.00 61.79 60.44 1yqa h SER 187 Cb 1.97 -0.19 -0.06 0.00 0.14 0.00 0.00 62.40 64.26 1yqa h SER 187 CO 0.12 1.05 -0.18 0.24 -1.14 0.00 0.00 176.83 176.91 1yqa h MET 188 N 0.47 -0.18 -0.73 3.45 2.86 -0.60 -1.86 114.93 118.35 1yqa h MET 188 Ca 0.02 0.01 0.15 0.00 -2.06 0.00 0.00 59.70 57.82 1yqa h MET 188 Cb 1.05 0.04 -0.05 0.00 0.06 0.00 0.00 31.60 32.70 1yqa h MET 188 CO 0.10 -0.12 0.49 -1.35 1.06 0.00 0.00 176.91 177.09 1yqa h PRO 189 N -0.18 0.35 -0.32 -0.22 0.11 -1.75 -1.52 132.00 128.46 1yqa h PRO 189 Ca 0.13 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 66.14 1yqa h PRO 189 Cb 0.38 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.41 1yqa h PRO 189 CO -0.34 0.23 -0.12 1.96 -0.21 0.00 0.00 178.00 179.52 1yqa h GLN 190 N 0.36 0.65 -6.47 1.05 1.08 -1.49 -2.27 115.11 108.02 1yqa h GLN 190 Ca 0.36 -0.27 -0.55 0.00 -1.45 0.00 0.00 58.65 56.74 1yqa h GLN 190 Cb 0.88 -0.03 -0.06 0.00 -0.05 0.00 0.00 27.48 28.23 1yqa h GLN 190 CO -0.10 0.84 1.08 -0.51 -0.95 0.00 0.00 178.83 179.19 1yqa s LEU 191 N -9.23 3.48 -1.44 1.46 1.43 -0.62 -3.60 118.68 110.16 1yqa s LEU 191 Ca -0.13 0.49 -0.05 0.00 -1.03 0.00 0.00 54.13 53.41 1yqa s LEU 191 Cb 0.09 -3.26 0.03 0.00 0.03 0.00 0.00 46.19 43.07 1yqa s LEU 191 CO 0.80 -1.59 0.46 0.59 0.23 0.00 0.00 176.35 176.84 1yqa n ASN 192 N 9.22 -5.14 -3.04 2.29 3.02 -1.26 -0.97 115.26 119.39 1yqa n ASN 192 Ca 0.14 -0.25 -0.23 0.00 -0.03 0.00 0.00 54.58 54.22 1yqa n ASN 192 Cb 0.49 -4.21 0.03 0.00 -0.61 0.00 0.00 39.78 35.48 1yqa n ASN 192 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1yqa n ASP 193 N -2.34 -6.02 -1.45 6.41 8.00 -1.14 -2.31 116.55 117.70 1yqa n ASP 193 Ca -0.10 -0.29 -0.11 0.00 0.71 0.00 0.00 54.79 55.00 1yqa n ASP 193 Cb 0.60 -4.87 0.01 0.00 -0.02 0.00 0.00 41.12 36.84 1yqa n ASP 193 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1yqa n GLY 194 N -1.51 -0.01 0.14 0.44 0.00 -0.14 -4.84 105.19 99.27 1yqa n GLY 194 Ca -0.11 -0.37 -0.22 0.00 0.00 0.00 0.00 46.02 45.31 1yqa n GLY 194 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1yqa h LYS 195 N -0.35 0.33 0.00 1.61 1.57 -1.46 -3.34 116.57 114.92 1yqa h LYS 195 Ca -0.27 -0.56 0.00 0.00 -1.87 0.00 0.00 60.65 57.95 1yqa h LYS 195 Cb 1.19 0.21 0.00 0.00 0.08 0.00 0.00 32.23 33.71 1yqa h LYS 195 CO 0.30 1.27 0.00 0.41 -0.57 0.00 0.00 179.45 180.86 1yqa n GLY 196 N 1.82 3.77 3.38 3.86 0.00 -1.26 -4.46 105.19 112.29 1yqa n GLY 196 Ca -0.25 -0.68 -0.14 0.00 0.00 0.00 0.00 46.02 44.95 1yqa n GLY 196 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1yqa s SER 197 N 0.00 -0.47 0.61 1.61 0.01 0.59 -4.74 113.70 111.31 1yqa s SER 197 Ca 0.00 0.81 -0.19 0.00 1.31 0.00 0.00 55.95 57.88 1yqa s SER 197 Cb 0.00 0.84 -0.03 0.00 0.21 0.00 0.00 66.02 67.04 1yqa s SER 197 CO 0.00 -0.26 1.26 -0.94 0.41 0.00 0.00 173.24 173.71 1yqa s SER 198 N -0.15 4.97 0.26 2.44 1.04 -1.26 -0.16 113.70 120.83 1yqa s SER 198 Ca -0.03 2.53 -0.02 0.00 0.48 0.00 0.00 55.95 58.91 1yqa s SER 198 Cb -0.03 -2.61 0.49 0.00 0.10 0.00 0.00 66.02 63.97 1yqa s SER 198 CO 0.02 -1.75 1.76 -0.09 0.98 0.00 0.00 173.24 174.16 1yqa h ARG 199 N 0.83 0.58 -0.70 4.02 2.43 -1.67 -0.84 114.38 119.04 1yqa h ARG 199 Ca -0.51 -0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 58.56 1yqa h ARG 199 Cb 1.31 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 30.71 1yqa h ARG 199 CO 0.55 0.38 0.17 0.82 -1.51 0.00 0.00 179.97 180.38 1yqa h ILE 200 N 0.59 1.26 -0.30 1.20 2.04 -1.90 0.12 117.51 120.51 1yqa h ILE 200 Ca 0.44 -0.96 -0.02 0.00 1.00 0.00 0.00 64.86 65.32 1yqa h ILE 200 Cb 0.61 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 1yqa h ILE 200 CO -0.36 0.37 0.12 0.58 0.00 0.00 0.00 178.15 178.86 1yqa h VAL 201 N 1.05 1.18 -0.11 1.67 2.07 -1.64 0.33 116.25 120.80 1yqa h VAL 201 Ca 0.22 -0.55 -0.00 0.00 0.82 0.00 0.00 66.70 67.18 1yqa h VAL 201 Cb 0.37 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 1yqa h VAL 201 CO 0.00 0.19 0.05 0.25 0.02 0.00 0.00 177.57 178.08 1yqa h LEU 202 N 0.34 0.15 -0.85 2.57 5.85 -1.01 -0.21 115.31 122.16 1yqa h LEU 202 Ca 0.10 -0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.72 1yqa h LEU 202 Cb 0.18 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.12 1yqa h LEU 202 CO -0.01 0.24 0.55 0.50 -0.34 0.00 0.00 178.44 179.38 1yqa h LYS 203 N 0.05 1.03 -0.89 1.25 3.64 -0.61 0.29 116.57 121.34 1yqa h LYS 203 Ca 0.04 -0.06 0.04 0.00 -1.27 0.00 0.00 60.65 59.39 1yqa h LYS 203 Cb 0.13 -0.23 -0.05 0.00 -0.41 0.00 0.00 32.23 31.66 1yqa h LYS 203 CO -0.00 0.68 0.58 -0.22 -2.27 0.00 0.00 179.45 178.22 1yqa h LYS 204 N 1.06 1.08 -0.17 1.90 3.11 -0.01 0.90 116.57 124.45 1yqa h LYS 204 Ca 0.34 -0.06 -0.14 0.00 -2.81 0.00 0.00 60.65 57.97 1yqa h LYS 204 Cb 0.00 -0.24 0.00 0.00 -1.00 0.00 0.00 32.23 30.99 1yqa h LYS 204 CO -0.11 0.71 -0.44 -0.92 -2.81 0.00 0.00 179.45 175.88 1yqa h TYR 205 N 1.11 0.77 -0.58 1.91 3.20 0.66 0.23 116.97 124.27 1yqa h TYR 205 Ca 0.36 -0.30 0.00 0.00 3.14 0.00 0.00 58.73 61.93 1yqa h TYR 205 Cb 0.02 -0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.13 1yqa h TYR 205 CO -0.02 1.06 0.37 0.28 -1.64 0.00 0.00 178.16 178.22 1yqa h VAL 206 N 0.26 1.16 -0.48 1.81 2.07 -0.18 0.14 116.25 121.03 1yqa h VAL 206 Ca -0.01 -0.32 -0.12 0.00 0.82 0.00 0.00 66.70 67.07 1yqa h VAL 206 Cb 1.06 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 1yqa h VAL 206 CO 0.10 0.16 -0.17 0.11 0.02 0.00 0.00 177.57 177.78 1yqa h LYS 207 N 0.78 0.93 0.02 1.57 1.57 -0.78 0.13 116.57 120.79 1yqa h LYS 207 Ca 0.21 -0.36 -0.00 0.00 -1.87 0.00 0.00 60.65 58.62 1yqa h LYS 207 Cb -0.06 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.20 1yqa h LYS 207 CO -0.04 1.02 -0.01 0.22 -0.57 0.00 0.00 179.45 180.07 1yqa h ASP 208 N 0.82 -0.03 0.12 0.86 3.58 0.14 -3.32 116.42 118.58 1yqa h ASP 208 Ca 0.12 -0.17 -0.17 0.00 0.42 0.00 0.00 57.03 57.23 1yqa h ASP 208 Cb 0.72 0.01 0.02 0.00 1.72 0.00 0.00 39.33 41.80 1yqa h ASP 208 CO 0.06 0.16 -0.73 0.71 -2.88 0.00 0.00 179.24 176.55 1yqa h THR 209 N -0.21 1.53 -3.33 2.25 1.35 -0.76 -3.41 112.91 110.33 1yqa h THR 209 Ca -0.00 -2.48 -0.75 0.00 -0.55 0.00 0.00 66.41 62.63 1yqa h THR 209 Cb 0.20 3.16 -0.27 0.00 -1.73 0.00 0.00 68.15 69.51 1yqa h THR 209 CO 0.01 0.70 -0.25 -0.31 -0.25 0.00 0.00 175.52 175.42 1yqa s TYR 210 N -2.49 3.42 -0.21 4.73 2.02 0.44 -4.77 117.35 120.48 1yqa s TYR 210 Ca -0.14 -1.74 0.24 0.00 -0.37 0.00 0.00 57.07 55.06 1yqa s TYR 210 Cb 0.01 -3.64 1.21 0.00 -0.40 0.00 0.00 41.96 39.14 1yqa s TYR 210 CO 0.82 -0.99 1.73 -1.35 -1.57 0.00 0.00 175.55 174.18 1yqa h PRO 211 N 8.40 0.00 -0.15 -1.71 0.11 -1.80 -2.47 132.00 134.38 1yqa h PRO 211 Ca -0.18 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.77 1yqa h PRO 211 Cb 1.07 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 1yqa h PRO 211 CO 0.90 0.00 -0.60 -0.84 -0.21 0.00 0.00 178.00 177.25 1yqa h ILE 212 N 0.00 1.34 -0.03 4.15 3.07 -1.88 -2.55 117.51 121.61 1yqa h ILE 212 Ca 0.00 -1.89 -0.17 0.00 1.55 0.00 0.00 64.86 64.34 1yqa h ILE 212 Cb 0.11 1.88 -0.01 0.00 -0.27 0.00 0.00 36.82 38.52 1yqa h ILE 212 CO 0.00 0.58 -0.76 -0.37 -1.05 0.00 0.00 178.15 176.55 1yqa h VAL 213 N 0.36 1.45 -0.73 0.16 -1.51 -1.75 -1.96 116.25 112.27 1yqa h VAL 213 Ca -0.00 -2.34 -0.04 0.00 -1.23 0.00 0.00 66.70 63.08 1yqa h VAL 213 Cb 1.14 2.26 -0.03 0.00 -2.13 0.00 0.00 31.29 32.54 1yqa h VAL 213 CO 0.11 0.69 0.29 1.23 -1.23 0.00 0.00 177.57 178.65 1yqa h GLY 214 N 1.70 1.15 1.68 5.19 0.00 -1.56 -2.49 103.07 108.75 1yqa h GLY 214 Ca -0.03 -0.61 -0.16 0.00 0.00 0.00 0.00 47.33 46.53 1yqa h GLY 214 CO 0.12 0.58 -0.65 1.76 0.00 0.00 0.00 176.54 178.34 1yqa h SER 215 N 1.05 0.37 -2.96 0.19 0.02 -1.33 -3.44 113.55 107.45 1yqa h SER 215 Ca 0.24 -0.22 -0.53 0.00 -0.84 0.00 0.00 61.79 60.44 1yqa h SER 215 Cb 0.20 -0.11 0.04 0.00 0.14 0.00 0.00 62.40 62.67 1yqa h SER 215 CO -0.02 0.92 0.80 0.00 -1.14 0.00 0.00 176.83 177.39 1yqa s ALA 216 N -3.71 3.68 -0.04 3.77 0.00 -0.75 -4.93 121.76 119.79 1yqa s ALA 216 Ca -0.05 1.25 -0.21 0.00 0.00 0.00 0.00 51.96 52.96 1yqa s ALA 216 Cb 0.11 -3.58 -0.32 0.00 0.00 0.00 0.00 23.12 19.34 1yqa s ALA 216 CO 0.82 -0.70 0.90 0.77 0.00 0.00 0.00 175.76 177.55 1yqa h SER 217 N 6.62 0.52 -0.21 0.00 0.02 -1.85 -3.26 113.55 115.38 1yqa h SER 217 Ca -0.43 -0.95 -0.02 0.00 -0.84 0.00 0.00 61.79 59.55 1yqa h SER 217 Cb 1.21 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.56 1yqa h SER 217 CO 0.88 1.45 0.03 -0.46 -1.14 0.00 0.00 176.83 177.58 1yqa n ASN 218 N -4.06 2.68 0.16 3.07 6.94 -1.26 -4.21 115.26 118.58 1yqa n ASN 218 Ca -0.15 -2.34 -0.14 0.00 -0.02 0.00 0.00 54.58 51.93 1yqa n ASN 218 Cb 0.87 -0.57 -0.08 0.00 -2.36 0.00 0.00 39.78 37.64 1yqa n ASN 218 CO 0.00 0.00 0.00 0.15 -1.03 0.00 0.00 177.26 176.38 1yqa h PHE 219 N 1.21 -0.33 -0.97 -2.53 3.57 -1.83 -2.62 116.94 113.43 1yqa h PHE 219 Ca 0.03 -0.01 0.18 0.00 3.53 0.00 0.00 57.97 61.70 1yqa h PHE 219 Cb 1.08 0.11 -0.11 0.00 2.79 0.00 0.00 35.95 39.82 1yqa h PHE 219 CO 0.39 -0.15 0.57 0.22 -2.23 0.00 0.00 178.31 177.11 1yqa h ASP 220 N -0.44 0.73 0.21 0.41 3.58 -1.85 0.74 116.42 119.79 1yqa h ASP 220 Ca -0.04 0.10 -0.01 0.00 0.42 0.00 0.00 57.03 57.50 1yqa h ASP 220 Cb 0.33 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.36 1yqa h ASP 220 CO 0.06 0.26 -0.10 0.22 -2.88 0.00 0.00 179.24 176.80 1yqa h TYR 221 N 0.73 -0.26 -0.67 0.28 3.20 -1.85 -2.32 116.97 116.08 1yqa h TYR 221 Ca 0.56 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.41 1yqa h TYR 221 Cb 0.86 0.09 -0.03 0.00 1.54 0.00 0.00 36.73 39.19 1yqa h TYR 221 CO -0.02 0.03 0.37 -0.07 -1.64 0.00 0.00 178.16 176.82 1yqa h LEU 222 N -0.54 0.82 0.04 2.82 3.38 -0.87 0.15 115.31 121.10 1yqa h LEU 222 Ca -0.03 -0.06 0.03 0.00 0.09 0.00 0.00 57.88 57.91 1yqa h LEU 222 Cb 0.41 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 1yqa h LEU 222 CO 0.05 0.66 -0.28 0.15 0.09 0.00 0.00 178.44 179.10 1yqa h PHE 223 N 0.93 -0.76 -0.05 1.13 3.57 0.54 0.31 116.94 122.60 1yqa h PHE 223 Ca 0.24 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.62 1yqa h PHE 223 Cb 0.02 0.33 -0.01 0.00 2.79 0.00 0.00 35.95 39.08 1yqa h PHE 223 CO 0.01 -0.38 -0.61 -0.97 -2.23 0.00 0.00 178.31 174.13 1yqa h ASN 224 N -0.45 0.21 -0.65 0.41 -1.24 -1.06 -3.08 115.58 109.72 1yqa h ASN 224 Ca 0.05 -0.12 -0.05 0.00 0.71 0.00 0.00 56.30 56.89 1yqa h ASN 224 Cb 0.52 -0.06 -0.03 0.00 0.73 0.00 0.00 38.32 39.48 1yqa h ASN 224 CO -0.22 0.77 0.20 -1.28 -1.29 0.00 0.00 177.43 175.61 1yqa h SER 225 N 0.14 0.95 -0.76 1.15 0.87 -0.13 -0.17 113.55 115.60 1yqa h SER 225 Ca -0.01 -0.21 0.01 0.00 -1.23 0.00 0.00 61.79 60.36 1yqa h SER 225 Cb 1.10 -0.25 -0.04 0.00 -0.44 0.00 0.00 62.40 62.77 1yqa h SER 225 CO 0.09 0.91 0.50 0.00 -0.53 0.00 0.00 176.83 177.80 1yqa h ALA 226 N 1.08 0.98 -0.38 6.23 0.00 -0.33 -1.59 119.26 125.25 1yqa h ALA 226 Ca 0.21 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 1yqa h ALA 226 Cb 0.30 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1yqa h ALA 226 CO -0.01 0.35 -0.12 0.82 0.00 0.00 0.00 179.25 180.30 1yqa h ILE 227 N 1.01 1.25 -0.54 0.00 2.04 -1.37 0.50 117.51 120.41 1yqa h ILE 227 Ca 0.29 -1.13 0.04 0.00 1.00 0.00 0.00 64.86 65.06 1yqa h ILE 227 Cb -0.08 1.09 -0.03 0.00 -0.74 0.00 0.00 36.82 37.06 1yqa h ILE 227 CO -0.08 0.38 0.36 0.50 0.00 0.00 0.00 178.15 179.31 1yqa h LYS 228 N 0.62 0.55 0.08 2.37 3.64 -0.10 0.21 116.57 123.95 1yqa h LYS 228 Ca 0.11 -0.03 -0.28 0.00 -1.27 0.00 0.00 60.65 59.18 1yqa h LYS 228 Cb 0.56 -0.12 0.02 0.00 -0.41 0.00 0.00 32.23 32.28 1yqa h LYS 228 CO 0.04 0.36 -1.16 0.87 -2.27 0.00 0.00 179.45 177.29 1yqa h LYS 229 N 0.57 0.54 -0.85 1.90 6.56 -0.69 -3.31 116.57 121.28 1yqa h LYS 229 Ca 0.22 -0.69 0.02 0.00 -1.06 0.00 0.00 60.65 59.15 1yqa h LYS 229 Cb 0.17 0.22 -0.05 0.00 -0.57 0.00 0.00 32.23 32.00 1yqa h LYS 229 CO -0.06 1.29 0.55 0.00 -2.06 0.00 0.00 179.45 179.18 1yqa h VAL 231 N 1.10 1.24 -0.11 0.00 -1.51 -0.50 0.35 116.25 116.83 1yqa h VAL 231 Ca 0.33 -0.79 -0.18 0.00 -1.23 0.00 0.00 66.70 64.82 1yqa h VAL 231 Cb -0.06 0.72 -0.00 0.00 -2.13 0.00 0.00 31.29 29.81 1yqa h VAL 231 CO -0.09 0.30 -0.68 1.05 -1.23 0.00 0.00 177.57 176.91 1yqa h GLU 232 N 0.76 0.46 0.00 5.19 4.11 -1.63 -2.75 114.58 120.72 1yqa h GLU 232 Ca 0.18 -0.35 -0.04 0.00 0.07 0.00 0.00 59.36 59.22 1yqa h GLU 232 Cb 0.28 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1yqa h GLU 232 CO -0.01 0.97 -0.19 -0.91 0.07 0.00 0.00 179.01 178.95 1yqa h ASN 233 N 0.33 0.00 0.00 3.06 2.35 -0.82 -3.46 115.58 117.03 1yqa h ASN 233 Ca -0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 1yqa h ASN 233 Cb 1.25 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.62 1yqa h ASN 233 CO 0.12 0.19 0.00 0.61 -1.65 0.00 0.00 177.43 176.70 1yqa n GLY 234 N -0.51 0.46 0.13 2.83 0.00 0.93 -4.96 105.19 104.06 1yqa n GLY 234 Ca -0.01 -0.85 -0.25 0.00 0.00 0.00 0.00 46.02 44.90 1yqa n GLY 234 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1yqa n GLU 235 N -1.15 0.61 -4.79 1.61 1.02 0.52 -4.77 120.64 113.68 1yqa n GLU 235 Ca 0.00 0.35 -0.30 0.00 -0.02 0.00 0.00 57.16 57.19 1yqa n GLU 235 Cb 0.43 -1.60 -0.14 0.00 -0.02 0.00 0.00 31.44 30.12 1yqa n GLU 235 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1yqa s LEU 236 N -7.47 2.34 -0.09 -4.62 1.43 -1.09 -1.93 118.68 107.26 1yqa s LEU 236 Ca -0.34 -0.53 0.02 0.00 -1.03 0.00 0.00 54.13 52.26 1yqa s LEU 236 Cb 0.10 -1.37 -0.02 0.00 0.03 0.00 0.00 46.19 44.93 1yqa s LEU 236 CO 0.56 0.26 -0.16 0.68 0.23 0.00 0.00 176.35 177.92 1yqa s VAL 237 N -0.86 2.87 -0.68 -1.59 -7.23 0.11 -2.77 120.40 110.25 1yqa s VAL 237 Ca 0.13 -0.76 0.05 0.00 -1.81 0.00 0.00 61.98 59.59 1yqa s VAL 237 Cb -0.10 -2.15 0.16 0.00 0.56 0.00 0.00 36.38 34.85 1yqa s VAL 237 CO 0.03 0.56 0.47 -1.10 -0.31 0.00 0.00 175.10 174.75 1yqa s GLN 238 N -0.16 2.40 0.27 4.82 -0.21 -1.26 -1.30 119.66 124.23 1yqa s GLN 238 Ca -0.01 -3.26 -0.03 0.00 0.02 0.00 0.00 55.36 52.07 1yqa s GLN 238 Cb -0.14 -3.40 0.37 0.00 1.00 0.00 0.00 33.01 30.84 1yqa s GLN 238 CO 0.03 -1.27 1.93 -1.35 -2.12 0.00 0.00 175.29 172.52 1yqa h PRO 239 N 5.52 1.19 -0.99 2.91 0.11 -1.97 -1.04 132.00 137.74 1yqa h PRO 239 Ca 0.12 -0.07 -0.34 0.00 0.11 0.00 0.00 66.00 65.82 1yqa h PRO 239 Cb 0.77 -0.27 -0.20 0.00 0.11 0.00 0.00 31.00 31.41 1yqa h PRO 239 CO 0.71 0.79 0.43 1.63 -0.21 0.00 0.00 178.00 181.35 1yqa n LYS 240 N -4.42 1.94 0.00 1.05 5.02 -1.26 -5.03 118.16 115.46 1yqa n LYS 240 Ca 0.12 -2.06 0.00 0.00 -2.02 0.00 0.00 58.31 54.35 1yqa n LYS 240 Cb 0.07 -1.82 0.00 0.00 -0.02 0.00 0.00 35.03 33.26 1yqa n LYS 240 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1yqa n GLY 241 N -0.58 -0.13 0.26 0.72 0.00 -0.39 -3.62 105.19 101.45 1yqa n GLY 241 Ca 0.40 -0.97 -0.11 0.00 0.00 0.00 0.00 46.02 45.34 1yqa n GLY 241 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1yqa h PRO 242 N 0.00 0.89 -2.62 1.61 0.13 -1.95 -3.29 132.00 126.77 1yqa h PRO 242 Ca 0.00 -0.36 -0.69 0.00 -0.87 0.00 0.00 66.00 64.08 1yqa h PRO 242 Cb 0.00 -0.04 -0.10 0.00 0.13 0.00 0.00 31.00 30.99 1yqa h PRO 242 CO 0.00 1.01 2.43 -1.13 -0.23 0.00 0.00 178.00 180.08 1yqa n SER 243 N -4.23 7.98 0.00 1.44 3.41 -1.26 -4.80 113.62 116.17 1yqa n SER 243 Ca -0.00 -3.03 0.00 0.00 -0.26 0.00 0.00 58.87 55.58 1yqa n SER 243 Cb 0.41 -1.39 0.00 0.00 -0.26 0.00 0.00 64.21 62.97 1yqa n SER 243 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1yqa n GLY 244 N 2.00 3.10 3.78 5.00 0.00 -1.24 -5.03 105.19 112.79 1yqa n GLY 244 Ca 0.64 -0.02 -0.36 0.00 0.00 0.00 0.00 46.02 46.28 1yqa n GLY 244 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1yqa s ILE 245 N 0.63 5.37 -0.18 -0.61 2.07 -1.26 -1.67 121.20 125.54 1yqa s ILE 245 Ca 0.00 0.37 -0.13 0.00 -1.41 0.00 0.00 60.65 59.48 1yqa s ILE 245 Cb 0.00 -3.53 -0.05 0.00 0.13 0.00 0.00 42.46 39.02 1yqa s ILE 245 CO 0.00 0.48 0.26 -0.63 -1.91 0.00 0.00 174.94 173.14 1yqa s ILE 246 N -0.07 5.32 -0.02 2.00 1.09 0.77 -4.29 121.20 126.00 1yqa s ILE 246 Ca 0.14 0.45 0.05 0.00 -1.10 0.00 0.00 60.65 60.19 1yqa s ILE 246 Cb -0.12 -3.60 -0.01 0.00 -1.06 0.00 0.00 42.46 37.67 1yqa s ILE 246 CO 0.03 0.38 -0.17 -0.54 -0.10 0.00 0.00 174.94 174.54 1yqa s LYS 247 N 0.59 1.55 -0.02 2.79 1.02 -0.42 -0.30 119.74 124.96 1yqa s LYS 247 Ca 0.14 -0.61 -0.30 0.00 0.02 0.00 0.00 55.97 55.22 1yqa s LYS 247 Cb -0.13 -1.43 -0.05 0.00 -0.52 0.00 0.00 37.83 35.70 1yqa s LYS 247 CO 0.03 0.32 1.38 -1.17 -0.92 0.00 0.00 175.35 174.99 1yqa s LEU 248 N -0.23 4.30 0.20 3.17 2.96 -1.25 0.07 118.68 127.89 1yqa s LEU 248 Ca 0.03 2.06 -0.32 0.00 -0.22 0.00 0.00 54.13 55.67 1yqa s LEU 248 Cb -0.09 -3.56 -0.12 0.00 0.50 0.00 0.00 46.19 42.93 1yqa s LEU 248 CO 0.00 -0.71 1.72 0.21 -1.32 0.00 0.00 176.35 176.25 1yqa s ASN 249 N 1.88 6.40 -0.38 3.68 2.47 -0.81 -4.79 114.94 123.40 1yqa s ASN 249 Ca 0.63 2.83 0.06 0.00 0.42 0.00 0.00 52.86 56.80 1yqa s ASN 249 Cb -0.30 -2.60 0.28 0.00 -1.45 0.00 0.00 41.25 37.18 1yqa s ASN 249 CO 0.25 -0.96 1.24 1.17 -3.72 0.00 0.00 177.10 175.08 1yqa n LYS 250 N 4.13 0.73 0.02 0.43 3.00 -1.26 -4.98 118.16 120.24 1yqa n LYS 250 Ca 0.16 -1.38 -0.19 0.00 -0.00 0.00 0.00 58.31 56.90 1yqa n LYS 250 Cb 0.36 -0.26 -0.09 0.00 0.00 0.00 0.00 35.03 35.04 1yqa n LYS 250 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.40 178.97 1yqa h LYS 251 N 2.01 0.72 -5.88 1.64 2.10 -2.01 -3.40 116.57 111.75 1yqa h LYS 251 Ca -0.33 -0.70 -0.60 0.00 -2.00 0.00 0.00 60.65 57.02 1yqa h LYS 251 Cb 1.23 0.18 -0.09 0.00 -0.90 0.00 0.00 32.23 32.65 1yqa h LYS 251 CO -0.06 1.29 0.50 0.21 -2.00 0.00 0.00 179.45 179.40 1yqa s LYS 252 N -3.47 4.01 -0.02 0.07 2.20 -1.26 -5.03 119.74 116.24 1yqa s LYS 252 Ca -0.10 0.73 0.04 0.00 -0.36 0.00 0.00 55.97 56.28 1yqa s LYS 252 Cb 0.08 -3.72 -0.01 0.00 -1.51 0.00 0.00 37.83 32.67 1yqa s LYS 252 CO 0.91 -0.71 -0.15 0.14 -0.36 0.00 0.00 175.35 175.18 1yqa s VAL 253 N 3.09 1.21 -0.30 4.02 -7.23 -1.26 -5.12 120.40 114.82 1yqa s VAL 253 Ca 0.35 -0.64 -0.15 0.00 -1.81 0.00 0.00 61.98 59.73 1yqa s VAL 253 Cb -0.14 -1.02 0.16 0.00 0.56 0.00 0.00 36.38 35.94 1yqa s VAL 253 CO 0.12 0.35 0.98 -1.59 -0.31 0.00 0.00 175.10 174.65 1yqa s LYS 254 N -0.23 0.31 -0.93 4.82 -2.85 -1.26 -5.06 119.74 114.54 1yqa s LYS 254 Ca 0.03 0.73 -0.07 0.00 -1.00 0.00 0.00 55.97 55.66 1yqa s LYS 254 Cb -0.07 0.37 -0.10 0.00 -2.06 0.00 0.00 37.83 35.97 1yqa s LYS 254 CO 0.00 -0.10 3.07 1.28 0.10 0.00 0.00 175.35 179.70 1yqa n LEU 255 N 4.71 7.29 -0.10 2.77 4.77 -1.26 -4.55 117.00 130.63 1yqa n LEU 255 Ca -0.11 -4.04 -0.11 0.00 -0.03 0.00 0.00 56.01 51.72 1yqa n LEU 255 Cb 0.53 -1.45 -0.04 0.00 -2.33 0.00 0.00 43.42 40.14 1yqa n LEU 255 CO -0.03 1.92 0.76 -1.28 -1.33 0.00 0.00 177.39 177.43 1yqa h SER 256 N 4.08 0.50 0.00 -1.43 0.87 -2.05 -3.59 113.55 111.93 1yqa h SER 256 Ca 0.58 -0.32 0.00 0.00 -1.23 0.00 0.00 61.79 60.82 1yqa h SER 256 Cb 0.73 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.55 1yqa h SER 256 CO 1.14 0.70 0.00 0.35 -0.53 0.00 0.00 176.83 178.49