#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kqh s PRO 190 N 0.00 -1.95 0.18 -1.46 0.02 -1.26 -4.87 135.00 125.66 3kqh s PRO 190 Ca 0.00 0.58 -0.33 0.00 0.02 0.00 0.00 61.00 61.27 3kqh s PRO 190 Cb 0.00 -1.45 -0.15 0.00 0.02 0.00 0.00 34.50 32.92 3kqh s PRO 190 CO 0.00 -4.34 1.33 -2.30 -0.33 0.00 0.00 177.00 171.37 3kqh n PRO 191 N -5.32 1.62 -2.03 5.54 -0.02 -1.26 -4.95 135.00 128.59 3kqh n PRO 191 Ca 0.06 0.58 -0.33 0.00 -2.02 0.00 0.00 63.50 61.79 3kqh n PRO 191 Cb 0.56 -2.19 0.02 0.00 -0.02 0.00 0.00 33.50 31.87 3kqh n PRO 191 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kqh s ALA 192 N 0.10 2.66 -0.49 3.55 0.00 -1.26 -4.97 121.76 121.35 3kqh s ALA 192 Ca 0.74 0.51 -0.28 0.00 0.00 0.00 0.00 51.96 52.93 3kqh s ALA 192 Cb -0.77 -3.28 0.03 0.00 0.00 0.00 0.00 23.12 19.11 3kqh s ALA 192 CO 0.48 -0.91 1.10 0.08 0.00 0.00 0.00 175.76 176.51 3kqh s VAL 193 N -2.29 4.24 0.84 0.00 1.01 -1.26 -5.02 120.40 117.92 3kqh s VAL 193 Ca 0.66 1.04 -0.11 0.00 0.00 0.00 0.00 61.98 63.57 3kqh s VAL 193 Cb -0.18 -4.59 0.10 0.00 0.00 0.00 0.00 36.38 31.71 3kqh s VAL 193 CO 0.36 -1.03 1.13 -2.84 0.00 0.00 0.00 175.10 172.71 3kqh s PRO 194 N 4.37 1.60 0.16 2.72 0.02 -1.26 -4.95 135.00 137.67 3kqh s PRO 194 Ca 0.44 1.40 -0.01 0.00 0.02 0.00 0.00 61.00 62.85 3kqh s PRO 194 Cb -0.08 -1.81 0.02 0.00 0.02 0.00 0.00 34.50 32.65 3kqh s PRO 194 CO 0.29 -2.17 1.40 1.96 -0.33 0.00 0.00 177.00 178.15 3kqh h GLN 195 N -1.46 0.35 -6.50 5.54 4.20 -1.95 -3.45 115.11 111.84 3kqh h GLN 195 Ca -0.43 -0.33 -0.64 0.00 0.06 0.00 0.00 58.65 57.31 3kqh h GLN 195 Cb 1.25 0.08 -0.16 0.00 0.30 0.00 0.00 27.48 28.95 3kqh h GLN 195 CO 0.46 0.99 -0.78 0.99 -0.67 0.00 0.00 178.83 179.83 3kqh s THR 196 N -3.45 2.70 0.35 -0.54 2.01 -1.26 -5.07 115.64 110.38 3kqh s THR 196 Ca -0.05 -1.94 -0.23 0.00 0.31 0.00 0.00 61.69 59.78 3kqh s THR 196 Cb 0.10 -2.33 -0.15 0.00 0.01 0.00 0.00 72.50 70.13 3kqh s THR 196 CO 0.84 -0.15 0.31 0.33 -0.69 0.00 0.00 174.62 175.26 3kqh n PHE 197 N 0.05 -1.29 -3.59 4.92 7.35 -1.26 -4.89 117.46 118.74 3kqh n PHE 197 Ca -0.11 0.72 -0.15 0.00 -0.76 0.00 0.00 57.45 57.15 3kqh n PHE 197 Cb 0.56 -1.88 -0.07 0.00 0.35 0.00 0.00 39.48 38.45 3kqh n PHE 197 CO 0.00 0.00 0.00 -1.14 -0.76 0.00 0.00 176.76 174.86 3kqh s GLN 198 N -1.12 0.86 -0.20 -4.13 0.74 -0.98 -5.00 119.66 109.83 3kqh s GLN 198 Ca 0.61 0.69 -0.05 0.00 0.05 0.00 0.00 55.36 56.67 3kqh s GLN 198 Cb -0.71 0.42 -0.02 0.00 1.10 0.00 0.00 33.01 33.79 3kqh s GLN 198 CO 0.60 -0.17 -0.02 0.08 -0.55 0.00 0.00 175.29 175.23 3kqh s VAL 199 N -0.20 3.81 0.13 1.34 1.01 -1.26 -1.64 120.40 123.58 3kqh s VAL 199 Ca -0.03 -0.36 0.07 0.00 0.00 0.00 0.00 61.98 61.66 3kqh s VAL 199 Cb -0.03 -2.71 -0.04 0.00 0.00 0.00 0.00 36.38 33.60 3kqh s VAL 199 CO 0.03 0.43 -0.18 0.00 0.00 0.00 0.00 175.10 175.39 3kqh s ALA 200 N 1.02 1.75 0.16 5.51 0.00 0.44 -4.97 121.76 125.67 3kqh s ALA 200 Ca 0.01 -1.32 0.03 0.00 0.00 0.00 0.00 51.96 50.69 3kqh s ALA 200 Cb -0.14 -0.17 -0.03 0.00 0.00 0.00 0.00 23.12 22.77 3kqh s ALA 200 CO 0.01 0.24 0.27 -1.01 0.00 0.00 0.00 175.76 175.27 3kqh s HIS 201 N -1.70 3.42 -0.37 0.00 3.76 -1.26 -0.07 115.29 119.07 3kqh s HIS 201 Ca 0.09 0.08 0.02 0.00 -0.15 0.00 0.00 55.06 55.10 3kqh s HIS 201 Cb -0.07 -1.63 0.15 0.00 1.11 0.00 0.00 32.58 32.14 3kqh s HIS 201 CO 0.05 0.51 0.28 -1.17 -0.85 0.00 0.00 174.74 173.55 3kqh s LEU 202 N -3.31 0.80 -0.60 0.89 2.96 -0.37 -4.83 118.68 114.22 3kqh s LEU 202 Ca 0.34 -2.25 -0.22 0.00 -0.22 0.00 0.00 54.13 51.78 3kqh s LEU 202 Cb -0.11 -0.17 0.06 0.00 0.50 0.00 0.00 46.19 46.48 3kqh s LEU 202 CO 0.28 -0.26 0.90 -1.00 -1.32 0.00 0.00 176.35 174.94 3kqh s HIS 203 N 0.92 2.78 0.06 5.38 3.76 -1.26 -2.39 115.29 124.54 3kqh s HIS 203 Ca 0.21 -0.42 0.03 0.00 -0.15 0.00 0.00 55.06 54.73 3kqh s HIS 203 Cb -0.15 -4.11 -0.03 0.00 1.11 0.00 0.00 32.58 29.39 3kqh s HIS 203 CO -0.04 -1.46 -0.09 0.00 -0.85 0.00 0.00 174.74 172.30 3kqh s ALA 204 N 3.75 0.75 1.09 -1.40 0.00 -1.19 -5.03 121.76 119.73 3kqh s ALA 204 Ca 0.23 -0.89 -0.13 0.00 0.00 0.00 0.00 51.96 51.17 3kqh s ALA 204 Cb -0.16 0.03 0.24 0.00 0.00 0.00 0.00 23.12 23.23 3kqh s ALA 204 CO 0.13 -0.01 1.06 -1.25 0.00 0.00 0.00 175.76 175.68 3kqh s PRO 205 N -1.92 -0.30 -0.00 0.00 0.04 -1.26 -3.90 135.00 127.65 3kqh s PRO 205 Ca -0.05 0.60 -0.00 0.00 0.04 0.00 0.00 61.00 61.59 3kqh s PRO 205 Cb -0.08 -1.64 0.00 0.00 0.04 0.00 0.00 34.50 32.82 3kqh s PRO 205 CO 0.00 -3.25 0.00 2.41 0.04 0.00 0.00 177.00 176.21 3kqh n THR 206 N -4.55 -0.07 -1.69 1.26 -1.04 -1.26 -4.73 114.28 102.20 3kqh n THR 206 Ca 0.04 0.01 -0.43 0.00 -2.04 0.00 0.00 64.05 61.64 3kqh n THR 206 Cb 0.56 -0.10 -0.03 0.00 -1.82 0.00 0.00 70.33 68.94 3kqh n THR 206 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3kqh n GLY 207 N 0.46 1.61 0.00 3.41 0.00 -1.26 -4.20 105.19 105.21 3kqh n GLY 207 Ca -0.00 0.71 0.00 0.00 0.00 0.00 0.00 46.02 46.72 3kqh n GLY 207 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kqh n SER 208 N 5.29 0.00 0.09 1.61 3.41 -1.26 -4.94 113.62 117.82 3kqh n SER 208 Ca 0.18 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.64 3kqh n SER 208 Cb 0.36 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.22 3kqh n SER 208 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3kqh h GLY 209 N 0.00 0.37 1.65 5.00 0.00 -1.90 -2.99 103.07 105.20 3kqh h GLY 209 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 47.33 46.54 3kqh h GLY 209 CO 0.00 0.69 0.00 0.58 0.00 0.00 0.00 176.54 177.81 3kqh n LYS 210 N -3.63 0.12 0.00 4.80 2.85 -1.26 -0.28 118.16 120.76 3kqh n LYS 210 Ca -0.08 0.21 0.00 0.00 -1.05 0.00 0.00 58.31 57.40 3kqh n LYS 210 Cb 0.93 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.81 3kqh n LYS 210 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 3kqh n SER 211 N -1.33 1.54 0.10 -5.58 3.41 -1.19 -4.58 113.62 106.00 3kqh n SER 211 Ca 0.05 -1.68 0.00 0.00 -0.26 0.00 0.00 58.87 56.98 3kqh n SER 211 Cb 0.09 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.04 3kqh n SER 211 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3kqh n THR 212 N -0.34 0.14 0.07 6.66 -2.24 -0.73 -4.79 114.28 113.05 3kqh n THR 212 Ca 0.00 0.04 -0.13 0.00 -2.27 0.00 0.00 64.05 61.70 3kqh n THR 212 Cb 0.23 -0.53 -0.08 0.00 -2.10 0.00 0.00 70.33 67.85 3kqh n THR 212 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3kqh h LYS 213 N 0.00 -0.13 0.15 -0.78 1.57 -0.87 -1.09 116.57 115.43 3kqh h LYS 213 Ca 0.00 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.81 3kqh h LYS 213 Cb 0.00 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.30 3kqh h LYS 213 CO 0.00 0.05 -0.34 0.28 -0.57 0.00 0.00 179.45 178.87 3kqh h VAL 214 N -0.28 0.29 -0.61 0.50 2.07 -1.58 0.18 116.25 116.82 3kqh h VAL 214 Ca -0.01 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.48 3kqh h VAL 214 Cb 0.23 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 30.26 3kqh h VAL 214 CO 0.02 0.00 0.26 1.55 0.02 0.00 0.00 177.57 179.42 3kqh h PRO 215 N -0.59 0.88 -0.66 1.57 0.13 -1.80 -2.15 132.00 129.38 3kqh h PRO 215 Ca 0.02 -0.13 0.03 0.00 -0.87 0.00 0.00 66.00 65.05 3kqh h PRO 215 Cb 0.60 -0.16 -0.04 0.00 0.13 0.00 0.00 31.00 31.54 3kqh h PRO 215 CO -0.18 0.70 0.44 0.00 -0.23 0.00 0.00 178.00 178.73 3kqh h ALA 216 N 1.42 1.60 -0.30 -0.56 0.00 -0.47 -0.28 119.26 120.67 3kqh h ALA 216 Ca 0.21 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.93 3kqh h ALA 216 Cb 0.14 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3kqh h ALA 216 CO -0.02 0.34 -0.43 0.00 0.00 0.00 0.00 179.25 179.14 3kqh h ALA 217 N 1.61 0.68 -0.25 0.00 0.00 -0.35 -2.44 119.26 118.51 3kqh h ALA 217 Ca 0.26 -0.46 -0.13 0.00 0.00 0.00 0.00 54.91 54.58 3kqh h ALA 217 Cb 0.02 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 3kqh h ALA 217 CO -0.07 0.67 -0.35 1.88 0.00 0.00 0.00 179.25 181.38 3kqh h TYR 218 N 0.61 0.83 -0.36 0.00 0.05 -0.97 -3.11 116.97 114.02 3kqh h TYR 218 Ca 0.04 -0.27 0.00 0.00 0.05 0.00 0.00 58.73 58.55 3kqh h TYR 218 Cb 0.99 -0.16 -0.02 0.00 1.01 0.00 0.00 36.73 38.55 3kqh h TYR 218 CO 0.05 1.03 0.23 0.00 -1.05 0.00 0.00 178.16 178.42 3kqh h ALA 219 N 0.65 1.72 -0.94 3.88 0.00 -1.05 -1.26 119.26 122.27 3kqh h ALA 219 Ca 0.03 -0.03 0.16 0.00 0.00 0.00 0.00 54.91 55.06 3kqh h ALA 219 Cb 0.94 -0.15 -0.08 0.00 0.00 0.00 0.00 17.79 18.50 3kqh h ALA 219 CO 0.08 0.25 0.60 0.00 0.00 0.00 0.00 179.25 180.18 3kqh h ALA 220 N 1.76 1.80 -0.15 0.00 0.00 -1.36 0.14 119.26 121.45 3kqh h ALA 220 Ca 0.13 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3kqh h ALA 220 Cb -0.04 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.63 3kqh h ALA 220 CO -0.03 -0.07 0.00 1.04 0.00 0.00 0.00 179.25 180.19 3kqh n GLN 221 N -4.60 1.47 -0.40 0.00 6.02 -0.49 -4.89 117.38 114.48 3kqh n GLN 221 Ca 0.19 -0.71 0.00 0.00 -0.01 0.00 0.00 57.00 56.47 3kqh n GLN 221 Cb 0.50 -1.28 0.00 0.00 1.02 0.00 0.00 30.24 30.48 3kqh n GLN 221 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kqh n GLY 222 N 0.94 0.73 3.72 1.08 0.00 0.48 -5.05 105.19 107.10 3kqh n GLY 222 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 3kqh n GLY 222 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kqh s TYR 223 N -2.54 3.73 -0.16 1.61 2.02 -1.13 -5.00 117.35 115.87 3kqh s TYR 223 Ca 0.00 1.72 -0.29 0.00 -0.37 0.00 0.00 57.07 58.13 3kqh s TYR 223 Cb 0.00 -3.11 -0.01 0.00 -0.40 0.00 0.00 41.96 38.44 3kqh s TYR 223 CO 0.00 -0.01 1.15 0.15 -1.57 0.00 0.00 175.55 175.27 3kqh s LYS 224 N 0.35 4.29 -0.03 -0.62 -0.14 -1.26 -4.00 119.74 118.33 3kqh s LYS 224 Ca 0.49 1.53 0.07 0.00 -1.36 0.00 0.00 55.97 56.70 3kqh s LYS 224 Cb -0.23 -3.66 -0.02 0.00 -1.68 0.00 0.00 37.83 32.23 3kqh s LYS 224 CO 0.30 -0.59 -0.23 0.08 -0.76 0.00 0.00 175.35 174.14 3kqh s VAL 225 N 3.00 2.28 -0.11 3.17 1.01 0.12 -1.20 120.40 128.66 3kqh s VAL 225 Ca 0.51 -1.02 0.03 0.00 0.00 0.00 0.00 61.98 61.50 3kqh s VAL 225 Cb -0.20 -1.82 -0.00 0.00 0.00 0.00 0.00 36.38 34.36 3kqh s VAL 225 CO 0.13 0.58 -0.20 -0.22 0.00 0.00 0.00 175.10 175.39 3kqh s LEU 226 N -0.55 2.28 -0.19 3.92 2.96 0.13 -0.69 118.68 126.54 3kqh s LEU 226 Ca 0.08 -0.50 -0.02 0.00 -0.22 0.00 0.00 54.13 53.48 3kqh s LEU 226 Cb -0.11 -1.47 -0.00 0.00 0.50 0.00 0.00 46.19 45.11 3kqh s LEU 226 CO 0.00 0.15 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.39 3kqh s VAL 227 N 0.40 2.91 -0.14 1.68 1.01 0.20 0.89 120.40 127.36 3kqh s VAL 227 Ca -0.15 -0.66 -0.04 0.00 0.00 0.00 0.00 61.98 61.12 3kqh s VAL 227 Cb -0.17 -2.28 -0.03 0.00 0.00 0.00 0.00 36.38 33.89 3kqh s VAL 227 CO 0.07 0.48 0.02 -0.76 0.00 0.00 0.00 175.10 174.91 3kqh s LEU 228 N 1.20 3.63 0.01 3.92 1.43 0.22 -1.82 118.68 127.27 3kqh s LEU 228 Ca 0.02 0.08 0.02 0.00 -1.03 0.00 0.00 54.13 53.21 3kqh s LEU 228 Cb -0.14 -1.87 -0.01 0.00 0.03 0.00 0.00 46.19 44.19 3kqh s LEU 228 CO -0.04 0.26 -0.05 0.20 0.23 0.00 0.00 176.35 176.94 3kqh s ASN 229 N -0.17 0.62 0.15 2.29 0.01 -0.73 -0.47 114.94 116.65 3kqh s ASN 229 Ca 0.06 -0.22 -0.12 0.00 -0.71 0.00 0.00 52.86 51.86 3kqh s ASN 229 Cb -0.12 -0.03 0.01 0.00 0.41 0.00 0.00 41.25 41.51 3kqh s ASN 229 CO 0.02 -0.02 1.58 1.55 -1.51 0.00 0.00 177.10 178.71 3kqh h PRO 230 N 5.58 0.88 -6.80 -0.60 0.13 -1.88 -2.66 132.00 126.65 3kqh h PRO 230 Ca -0.30 -0.31 -0.51 0.00 -0.87 0.00 0.00 66.00 64.02 3kqh h PRO 230 Cb 1.20 -0.06 0.03 0.00 0.13 0.00 0.00 31.00 32.29 3kqh h PRO 230 CO 0.47 0.94 0.51 0.45 -0.23 0.00 0.00 178.00 180.15 3kqh s SER 231 N -6.43 7.16 0.07 1.44 0.15 -1.26 -4.60 113.70 110.22 3kqh s SER 231 Ca -0.12 2.34 -0.11 0.00 0.70 0.00 0.00 55.95 58.75 3kqh s SER 231 Cb 0.11 -2.63 -0.27 0.00 -1.71 0.00 0.00 66.02 61.53 3kqh s SER 231 CO 0.83 -0.24 1.13 0.58 1.20 0.00 0.00 173.24 176.74 3kqh h VAL 232 N 3.18 1.34 0.32 4.45 2.07 -1.99 -2.67 116.25 122.94 3kqh h VAL 232 Ca -0.47 -2.60 -0.02 0.00 0.82 0.00 0.00 66.70 64.43 3kqh h VAL 232 Cb 1.21 2.75 0.00 0.00 -1.52 0.00 0.00 31.29 33.74 3kqh h VAL 232 CO 0.68 0.78 -0.15 0.00 0.02 0.00 0.00 177.57 178.89 3kqh h ALA 233 N 0.39 -0.43 -0.71 1.67 0.00 -1.98 -1.51 119.26 116.68 3kqh h ALA 233 Ca -0.17 -0.15 0.11 0.00 0.00 0.00 0.00 54.91 54.70 3kqh h ALA 233 Cb 1.92 0.17 -0.08 0.00 0.00 0.00 0.00 17.79 19.79 3kqh h ALA 233 CO 0.23 -0.66 0.31 0.00 0.00 0.00 0.00 179.25 179.13 3kqh h ALA 234 N 0.02 0.98 0.41 0.00 0.00 -1.98 1.02 119.26 119.71 3kqh h ALA 234 Ca -0.04 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3kqh h ALA 234 Cb 0.44 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3kqh h ALA 234 CO 0.07 -0.13 -0.20 1.15 0.00 0.00 0.00 179.25 180.14 3kqh h THR 235 N 0.51 0.60 -0.58 0.00 2.02 -1.32 0.59 112.91 114.73 3kqh h THR 235 Ca 0.37 -0.03 -0.03 0.00 0.77 0.00 0.00 66.41 67.49 3kqh h THR 235 Cb 0.47 0.62 -0.03 0.00 -1.74 0.00 0.00 68.15 67.47 3kqh h THR 235 CO -0.33 0.01 0.25 -0.07 0.37 0.00 0.00 175.52 175.75 3kqh h LEU 236 N -0.57 0.74 0.57 2.58 3.38 -0.85 -2.66 115.31 118.51 3kqh h LEU 236 Ca -0.06 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 3kqh h LEU 236 Cb 0.43 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 41.00 3kqh h LEU 236 CO 0.09 0.65 -0.27 1.23 0.09 0.00 0.00 178.44 180.23 3kqh h GLY 237 N 0.93 -0.80 0.27 0.83 0.00 0.17 -2.33 103.07 102.14 3kqh h GLY 237 Ca 0.20 0.30 0.21 0.00 0.00 0.00 0.00 47.33 48.04 3kqh h GLY 237 CO -0.02 -0.29 0.61 0.74 0.00 0.00 0.00 176.54 177.57 3kqh h PHE 238 N -0.92 0.48 -0.16 5.60 0.04 0.26 -0.54 116.94 121.70 3kqh h PHE 238 Ca -0.08 0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.68 3kqh h PHE 238 Cb 0.64 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 38.64 3kqh h PHE 238 CO -0.01 0.12 -0.02 0.78 -0.60 0.00 0.00 178.31 178.58 3kqh h GLY 239 N 0.35 0.32 2.00 -1.45 0.00 -1.28 -2.29 103.07 100.72 3kqh h GLY 239 Ca 0.47 -0.25 -0.02 0.00 0.00 0.00 0.00 47.33 47.53 3kqh h GLY 239 CO -0.16 0.23 -0.10 0.00 0.00 0.00 0.00 176.54 176.51 3kqh h ALA 240 N 0.74 1.77 0.09 3.60 0.00 -0.57 -2.57 119.26 122.32 3kqh h ALA 240 Ca 0.04 -0.09 -0.28 0.00 0.00 0.00 0.00 54.91 54.58 3kqh h ALA 240 Cb 0.43 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.23 3kqh h ALA 240 CO 0.01 0.13 -1.18 -0.92 0.00 0.00 0.00 179.25 177.29 3kqh h TYR 241 N 0.00 0.89 -0.39 0.00 5.03 -1.24 -3.31 116.97 117.95 3kqh h TYR 241 Ca -0.00 -0.55 -0.04 0.00 2.58 0.00 0.00 58.73 60.72 3kqh h TYR 241 Cb 0.19 -0.08 -0.02 0.00 1.55 0.00 0.00 36.73 38.37 3kqh h TYR 241 CO 0.00 1.40 0.07 0.52 -1.32 0.00 0.00 178.16 178.83 3kqh h MET 242 N 0.26 0.59 -0.76 1.82 2.86 -1.00 -0.64 114.93 118.06 3kqh h MET 242 Ca -0.16 -0.11 0.11 0.00 -2.06 0.00 0.00 59.70 57.48 3kqh h MET 242 Cb 1.85 -0.09 -0.05 0.00 0.06 0.00 0.00 31.60 33.36 3kqh h MET 242 CO 0.22 0.56 0.50 0.77 1.06 0.00 0.00 176.91 180.02 3kqh h SER 243 N 0.57 0.56 0.01 1.22 0.02 -1.61 -1.15 113.55 113.17 3kqh h SER 243 Ca 0.13 0.02 -0.41 0.00 -0.84 0.00 0.00 61.79 60.69 3kqh h SER 243 Cb 0.25 -0.10 -0.06 0.00 0.14 0.00 0.00 62.40 62.63 3kqh h SER 243 CO 0.00 0.32 -2.34 0.29 -1.14 0.00 0.00 176.83 173.97 3kqh n LYS 244 N -4.50 0.62 0.31 3.45 5.02 -1.09 -2.35 118.16 119.61 3kqh n LYS 244 Ca 0.13 0.27 0.19 0.00 -2.02 0.00 0.00 58.31 56.88 3kqh n LYS 244 Cb 0.38 -1.55 0.99 0.00 -0.02 0.00 0.00 35.03 34.83 3kqh n LYS 244 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kqh h ALA 245 N -0.57 1.10 0.00 7.82 0.00 -1.12 -3.23 119.26 123.26 3kqh h ALA 245 Ca -0.61 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.28 3kqh h ALA 245 Cb 1.69 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.48 3kqh h ALA 245 CO -0.27 0.03 0.00 0.72 0.00 0.00 0.00 179.25 179.73 3kqh n HIS 246 N -3.26 0.00 -3.50 0.00 8.25 -0.45 -5.04 115.22 111.22 3kqh n HIS 246 Ca -0.02 -0.02 -0.19 0.00 -0.26 0.00 0.00 57.72 57.23 3kqh n HIS 246 Cb 0.15 -0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.28 3kqh n HIS 246 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kqh n GLY 247 N -0.02 -1.17 3.15 -1.41 0.00 -0.99 -4.99 105.19 99.76 3kqh n GLY 247 Ca 0.00 0.51 0.05 0.00 0.00 0.00 0.00 46.02 46.58 3kqh n GLY 247 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3kqh s ILE 248 N -3.19 -0.41 -0.39 -0.61 2.07 -1.17 -5.01 121.20 112.49 3kqh s ILE 248 Ca 0.20 0.00 -0.28 0.00 -1.41 0.00 0.00 60.65 59.16 3kqh s ILE 248 Cb -0.07 -0.57 -0.02 0.00 0.13 0.00 0.00 42.46 41.94 3kqh s ILE 248 CO 0.83 0.00 1.77 -1.81 -1.91 0.00 0.00 174.94 173.82 3kqh s ASP 249 N 2.93 5.82 0.70 4.50 1.11 -1.26 -3.74 116.67 126.72 3kqh s ASP 249 Ca 0.18 1.07 -0.11 0.00 0.18 0.00 0.00 52.55 53.87 3kqh s ASP 249 Cb -0.05 -2.53 0.01 0.00 1.07 0.00 0.00 42.92 41.42 3kqh s ASP 249 CO -0.21 -1.81 1.08 -2.16 1.18 0.00 0.00 175.17 173.26 3kqh s PRO 250 N 5.84 2.93 0.32 8.23 0.04 -1.26 -4.52 135.00 146.58 3kqh s PRO 250 Ca 0.76 0.57 -0.28 0.00 0.04 0.00 0.00 61.00 62.09 3kqh s PRO 250 Cb -0.20 -2.02 -0.09 0.00 0.04 0.00 0.00 34.50 32.23 3kqh s PRO 250 CO 0.31 -1.01 1.11 -0.80 0.04 0.00 0.00 177.00 176.66 3kqh s ASN 251 N -4.23 7.02 -0.12 6.66 0.01 -0.70 -4.75 114.94 118.83 3kqh s ASN 251 Ca 0.58 2.26 0.01 0.00 -0.71 0.00 0.00 52.86 55.00 3kqh s ASN 251 Cb -0.12 -2.62 0.02 0.00 0.41 0.00 0.00 41.25 38.94 3kqh s ASN 251 CO 0.53 -0.32 -0.13 -0.63 -1.51 0.00 0.00 177.10 175.04 3kqh s ILE 252 N -1.29 1.41 -0.26 0.60 -1.09 0.23 -0.11 121.20 120.69 3kqh s ILE 252 Ca 0.49 -0.56 0.01 0.00 -2.23 0.00 0.00 60.65 58.36 3kqh s ILE 252 Cb -0.30 -1.32 0.07 0.00 -1.58 0.00 0.00 42.46 39.32 3kqh s ILE 252 CO 0.39 0.43 -0.03 -0.13 -1.23 0.00 0.00 174.94 174.36 3kqh s ARG 253 N 1.25 1.62 0.31 2.79 0.52 0.46 -0.07 118.95 125.83 3kqh s ARG 253 Ca -0.01 -1.18 0.06 0.00 -0.52 0.00 0.00 55.73 54.07 3kqh s ARG 253 Cb -0.14 -2.67 -0.03 0.00 0.52 0.00 0.00 34.95 32.63 3kqh s ARG 253 CO -0.05 -0.68 0.25 0.95 0.02 0.00 0.00 175.30 175.79 3kqh s THR 254 N 1.30 0.03 0.10 0.02 -4.23 -0.32 -2.64 115.64 109.90 3kqh s THR 254 Ca -0.03 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 58.35 3kqh s THR 254 Cb -0.19 -2.49 -0.13 0.00 1.34 0.00 0.00 72.50 71.03 3kqh s THR 254 CO -0.08 0.00 1.34 1.23 -0.54 0.00 0.00 174.62 176.57 3kqh h GLY 255 N 2.19 0.87 1.74 3.99 0.00 -1.97 -3.32 103.07 106.57 3kqh h GLY 255 Ca -0.27 -1.11 -0.18 0.00 0.00 0.00 0.00 47.33 45.76 3kqh h GLY 255 CO 0.40 1.00 -0.98 -0.39 0.00 0.00 0.00 176.54 176.56 3kqh h VAL 256 N 0.53 1.17 -3.05 4.60 -1.51 -2.01 -3.47 116.25 112.52 3kqh h VAL 256 Ca -0.02 -2.76 -0.16 0.00 -1.23 0.00 0.00 66.70 62.54 3kqh h VAL 256 Cb 1.24 2.55 -0.26 0.00 -2.13 0.00 0.00 31.29 32.69 3kqh h VAL 256 CO 0.13 0.67 -0.40 -0.60 -1.23 0.00 0.00 177.57 176.14 3kqh s ARG 257 N -2.80 0.32 -0.24 5.19 3.52 -1.25 -5.13 118.95 118.56 3kqh s ARG 257 Ca 0.01 0.41 -0.03 0.00 -0.13 0.00 0.00 55.73 55.99 3kqh s ARG 257 Cb 0.09 0.13 0.08 0.00 -1.56 0.00 0.00 34.95 33.69 3kqh s ARG 257 CO 0.80 -0.05 0.07 0.99 -0.81 0.00 0.00 175.30 176.30 3kqh s THR 258 N 0.27 0.42 -0.16 4.11 2.01 -1.26 -1.18 115.64 119.85 3kqh s THR 258 Ca -0.01 -0.74 -0.04 0.00 0.31 0.00 0.00 61.69 61.21 3kqh s THR 258 Cb -0.03 -1.12 -0.03 0.00 0.01 0.00 0.00 72.50 71.34 3kqh s THR 258 CO -0.01 -0.42 -0.04 -0.63 -0.69 0.00 0.00 174.62 172.83 3kqh s ILE 259 N 1.88 3.84 -0.14 1.82 1.01 0.89 -4.96 121.20 125.55 3kqh s ILE 259 Ca 0.04 -0.37 -0.02 0.00 0.00 0.00 0.00 60.65 60.29 3kqh s ILE 259 Cb -0.17 -2.69 -0.02 0.00 0.01 0.00 0.00 42.46 39.59 3kqh s ILE 259 CO -0.17 0.48 -0.06 -0.89 0.00 0.00 0.00 174.94 174.30 3kqh s THR 260 N 0.48 3.67 0.00 2.92 2.01 -1.26 -0.60 115.64 122.86 3kqh s THR 260 Ca -0.03 -0.45 0.00 0.00 0.31 0.00 0.00 61.69 61.52 3kqh s THR 260 Cb -0.14 -2.58 0.00 0.00 0.01 0.00 0.00 72.50 69.79 3kqh s THR 260 CO 0.03 0.52 0.00 0.35 -0.69 0.00 0.00 174.62 174.82 3kqh n THR 261 N 3.33 0.00 -0.07 -0.82 -2.24 -1.26 -5.01 114.28 108.20 3kqh n THR 261 Ca -0.18 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 3kqh n THR 261 Cb 0.53 0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.97 3kqh n THR 261 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kqh n GLY 262 N 1.37 0.58 3.62 3.38 0.00 -1.26 -5.05 105.19 107.83 3kqh n GLY 262 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 3kqh n GLY 262 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kqh n ALA 263 N -1.54 -0.35 0.54 4.61 0.00 -1.26 -4.89 120.51 117.62 3kqh n ALA 263 Ca 0.00 -0.24 0.11 0.00 0.00 0.00 0.00 53.44 53.31 3kqh n ALA 263 Cb 0.00 -2.12 0.44 0.00 0.00 0.00 0.00 19.45 17.77 3kqh n ALA 263 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3kqh n PRO 264 N -2.10 0.13 -4.49 0.00 -0.04 -1.26 -4.70 135.00 122.54 3kqh n PRO 264 Ca 0.13 0.29 -0.34 0.00 -0.04 0.00 0.00 63.50 63.53 3kqh n PRO 264 Cb 0.50 -1.72 -0.11 0.00 -0.04 0.00 0.00 33.50 32.13 3kqh n PRO 264 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3kqh s ILE 265 N -3.15 3.92 -0.06 0.52 1.01 -1.26 0.12 121.20 122.29 3kqh s ILE 265 Ca 0.07 -0.38 0.02 0.00 0.00 0.00 0.00 60.65 60.36 3kqh s ILE 265 Cb 0.11 -2.65 0.02 0.00 0.01 0.00 0.00 42.46 39.95 3kqh s ILE 265 CO 0.41 0.57 -0.10 -0.89 0.00 0.00 0.00 174.94 174.93 3kqh s THR 266 N -0.44 0.99 -0.18 2.92 2.01 0.14 -1.71 115.64 119.38 3kqh s THR 266 Ca 0.07 -0.38 -0.04 0.00 0.31 0.00 0.00 61.69 61.65 3kqh s THR 266 Cb -0.12 -0.93 -0.02 0.00 0.01 0.00 0.00 72.50 71.43 3kqh s THR 266 CO 0.02 0.33 -0.04 -0.31 -0.69 0.00 0.00 174.62 173.93 3kqh s TYR 267 N 0.81 2.99 0.08 4.92 1.51 0.84 -0.62 117.35 127.87 3kqh s TYR 267 Ca -0.12 -0.49 -0.09 0.00 -1.01 0.00 0.00 57.07 55.36 3kqh s TYR 267 Cb -0.15 -2.00 -0.00 0.00 -0.11 0.00 0.00 41.96 39.69 3kqh s TYR 267 CO 0.02 -0.20 0.19 0.45 -1.11 0.00 0.00 175.55 174.90 3kqh s SER 268 N 0.73 0.10 0.41 2.29 0.15 -0.76 -0.41 113.70 116.22 3kqh s SER 268 Ca -0.02 -0.58 -0.08 0.00 0.70 0.00 0.00 55.95 55.97 3kqh s SER 268 Cb -0.15 0.33 -0.05 0.00 -1.71 0.00 0.00 66.02 64.44 3kqh s SER 268 CO 0.02 -0.69 0.74 0.42 1.20 0.00 0.00 173.24 174.94 3kqh s THR 269 N -3.54 4.86 0.33 6.45 -4.23 -1.08 -1.77 115.64 116.66 3kqh s THR 269 Ca 0.02 0.40 0.03 0.00 -1.18 0.00 0.00 61.69 60.96 3kqh s THR 269 Cb 0.03 -3.78 0.17 0.00 1.34 0.00 0.00 72.50 70.27 3kqh s THR 269 CO -0.09 -0.60 1.88 1.88 -0.54 0.00 0.00 174.62 177.15 3kqh h TYR 270 N 0.97 0.64 0.13 3.99 0.05 -1.72 0.20 116.97 121.22 3kqh h TYR 270 Ca -0.47 -0.05 -0.01 0.00 0.05 0.00 0.00 58.73 58.25 3kqh h TYR 270 Cb 1.19 -0.19 0.00 0.00 1.01 0.00 0.00 36.73 38.75 3kqh h TYR 270 CO 0.59 0.57 -0.06 0.78 -1.05 0.00 0.00 178.16 178.99 3kqh h GLY 271 N 0.85 -0.18 1.34 3.88 0.00 -1.85 -0.70 103.07 106.41 3kqh h GLY 271 Ca 0.14 0.07 -0.09 0.00 0.00 0.00 0.00 47.33 47.44 3kqh h GLY 271 CO 0.00 -0.06 -0.09 1.70 0.00 0.00 0.00 176.54 178.09 3kqh h LYS 272 N -0.20 0.78 -0.39 4.80 1.63 -1.79 -1.52 116.57 119.89 3kqh h LYS 272 Ca -0.02 -0.25 0.01 0.00 -0.85 0.00 0.00 60.65 59.54 3kqh h LYS 272 Cb 0.16 -0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 31.69 3kqh h LYS 272 CO 0.03 0.85 0.24 0.35 -3.45 0.00 0.00 179.45 177.47 3kqh h PHE 273 N 0.71 0.46 -0.70 1.91 3.57 -0.73 -0.78 116.94 121.38 3kqh h PHE 273 Ca 0.12 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 3kqh h PHE 273 Cb 0.56 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 39.12 3kqh h PHE 273 CO 0.03 0.28 0.39 -0.07 -2.23 0.00 0.00 178.31 176.70 3kqh h LEU 274 N 0.49 0.87 -1.50 0.59 3.38 -0.74 -1.89 115.31 116.52 3kqh h LEU 274 Ca 0.15 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 3kqh h LEU 274 Cb -0.02 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 3kqh h LEU 274 CO -0.05 0.71 -0.25 0.00 0.09 0.00 0.00 178.44 178.93 3kqh h ALA 275 N 1.19 1.58 0.00 1.53 0.00 -0.89 -1.97 119.26 120.70 3kqh h ALA 275 Ca 0.25 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3kqh h ALA 275 Cb 0.03 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3kqh h ALA 275 CO -0.04 0.32 0.00 -0.25 0.00 0.00 0.00 179.25 179.28 3kqh n ASP 276 N -4.23 0.00 0.00 0.00 8.00 -0.33 -4.85 116.55 115.14 3kqh n ASP 276 Ca -0.02 -0.07 0.00 0.00 0.71 0.00 0.00 54.79 55.41 3kqh n ASP 276 Cb 0.31 -0.28 0.00 0.00 -0.02 0.00 0.00 41.12 41.13 3kqh n ASP 276 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kqh n GLY 277 N 0.72 0.80 4.81 0.44 0.00 -0.74 -4.95 105.19 106.27 3kqh n GLY 277 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 3kqh n GLY 277 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kqh n GLY 278 N -1.83 -0.34 3.63 -0.02 0.00 -0.77 -4.83 105.19 101.03 3kqh n GLY 278 Ca 0.00 -1.35 -0.43 0.00 0.00 0.00 0.00 46.02 44.25 3kqh n GLY 278 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kqh s SER 280 N 5.51 5.45 0.11 0.00 1.04 -1.26 -4.94 113.70 119.61 3kqh s SER 280 Ca 0.85 -0.18 0.00 0.00 0.48 0.00 0.00 55.95 57.10 3kqh s SER 280 Cb -0.33 -1.99 0.00 0.00 0.10 0.00 0.00 66.02 63.80 3kqh s SER 280 CO 0.35 -0.06 0.00 0.61 0.98 0.00 0.00 173.24 175.12 3kqh n GLY 281 N 4.97 0.78 2.53 7.32 0.00 -1.26 -2.51 105.19 117.02 3kqh n GLY 281 Ca -0.15 -0.67 -0.37 0.00 0.00 0.00 0.00 46.02 44.83 3kqh n GLY 281 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kqh n GLY 282 N 0.00 5.14 0.17 -0.02 0.00 -1.07 -4.49 105.19 104.92 3kqh n GLY 282 Ca 0.00 -2.11 -0.12 0.00 0.00 0.00 0.00 46.02 43.79 3kqh n GLY 282 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kqh h ALA 283 N 4.01 0.45 -3.28 4.61 0.00 -1.68 -3.47 119.26 119.92 3kqh h ALA 283 Ca 0.59 -0.66 -0.38 0.00 0.00 0.00 0.00 54.91 54.45 3kqh h ALA 283 Cb 0.40 -0.04 -0.21 0.00 0.00 0.00 0.00 17.79 17.95 3kqh h ALA 283 CO 1.27 0.79 -0.77 0.71 0.00 0.00 0.00 179.25 181.25 3kqh s TYR 284 N -3.44 1.13 -0.19 0.00 2.02 -1.26 -4.88 117.35 110.72 3kqh s TYR 284 Ca -0.06 -0.49 0.12 0.00 -0.37 0.00 0.00 57.07 56.27 3kqh s TYR 284 Cb 0.09 -0.64 -0.23 0.00 -0.40 0.00 0.00 41.96 40.79 3kqh s TYR 284 CO 0.86 0.04 0.08 -0.25 -1.57 0.00 0.00 175.55 174.71 3kqh n ASP 285 N 1.19 0.75 -4.01 2.29 9.92 -0.34 -3.46 116.55 122.88 3kqh n ASP 285 Ca -0.21 0.03 -0.21 0.00 -0.53 0.00 0.00 54.79 53.87 3kqh n ASP 285 Cb 0.55 0.39 -0.15 0.00 -0.64 0.00 0.00 41.12 41.26 3kqh n ASP 285 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3kqh s ILE 286 N -2.51 0.83 -0.17 0.53 1.01 -0.73 0.13 121.20 120.28 3kqh s ILE 286 Ca -0.17 -0.39 0.01 0.00 0.00 0.00 0.00 60.65 60.10 3kqh s ILE 286 Cb 0.07 -0.73 0.03 0.00 0.01 0.00 0.00 42.46 41.84 3kqh s ILE 286 CO 0.77 0.26 -0.14 -0.63 0.00 0.00 0.00 174.94 175.19 3kqh s ILE 287 N 0.17 1.70 -0.25 2.92 1.01 -0.26 -0.69 121.20 125.80 3kqh s ILE 287 Ca -0.03 -0.84 -0.10 0.00 0.00 0.00 0.00 60.65 59.68 3kqh s ILE 287 Cb -0.09 -1.65 -0.05 0.00 0.01 0.00 0.00 42.46 40.69 3kqh s ILE 287 CO 0.01 0.37 0.15 -0.63 0.00 0.00 0.00 174.94 174.83 3kqh s ILE 288 N 1.41 5.16 -0.65 2.92 1.01 0.26 -0.58 121.20 130.73 3kqh s ILE 288 Ca 0.03 0.11 -0.12 0.00 0.00 0.00 0.00 60.65 60.67 3kqh s ILE 288 Cb -0.14 -3.42 0.17 0.00 0.01 0.00 0.00 42.46 39.08 3kqh s ILE 288 CO -0.10 0.33 0.57 0.00 0.00 0.00 0.00 174.94 175.73 3kqh s ASP 290 N 2.53 6.90 -1.27 0.00 3.68 0.38 -1.22 116.67 127.66 3kqh s ASP 290 Ca 0.11 2.06 -0.00 0.00 2.13 0.00 0.00 52.55 56.84 3kqh s ASP 290 Cb -0.20 -2.59 0.00 0.00 -1.45 0.00 0.00 42.92 38.68 3kqh s ASP 290 CO -0.03 -0.39 0.83 -0.62 0.13 0.00 0.00 175.17 175.08 3kqh n GLU 291 N 0.21 -5.63 0.00 4.34 -0.58 -0.09 -4.60 120.64 114.29 3kqh n GLU 291 Ca 0.04 0.71 0.05 0.00 -0.42 0.00 0.00 57.16 57.53 3kqh n GLU 291 Cb 0.49 -5.46 0.28 0.00 -0.57 0.00 0.00 31.44 26.17 3kqh n GLU 291 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3kqh n HIS 293 N -0.77 0.23 -1.72 0.00 1.44 -1.26 -4.62 115.22 108.52 3kqh n HIS 293 Ca 0.07 0.07 -0.43 0.00 -2.01 0.00 0.00 57.72 55.42 3kqh n HIS 293 Cb 0.03 -0.41 -0.02 0.00 0.12 0.00 0.00 29.99 29.71 3kqh n HIS 293 CO 0.00 0.00 0.00 0.43 -2.81 0.00 0.00 176.34 173.96 3kqh n SER 294 N -1.78 3.51 -1.33 4.39 7.64 -0.75 -4.86 113.62 120.44 3kqh n SER 294 Ca 0.04 1.14 0.04 0.00 1.01 0.00 0.00 58.87 61.09 3kqh n SER 294 Cb 0.39 -1.54 0.29 0.00 -1.01 0.00 0.00 64.21 62.34 3kqh n SER 294 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3kqh n THR 295 N 2.23 2.55 -2.92 0.44 -2.24 -1.26 -4.59 114.28 108.49 3kqh n THR 295 Ca 0.10 -1.87 -0.34 0.00 -2.27 0.00 0.00 64.05 59.67 3kqh n THR 295 Cb 0.35 -0.29 -0.07 0.00 -2.10 0.00 0.00 70.33 68.22 3kqh n THR 295 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3kqh s ASP 296 N -1.64 7.02 0.25 3.42 1.47 -1.26 -4.93 116.67 121.00 3kqh s ASP 296 Ca 0.47 1.59 -0.03 0.00 1.18 0.00 0.00 52.55 55.76 3kqh s ASP 296 Cb 0.38 -2.49 0.48 0.00 -0.34 0.00 0.00 42.92 40.95 3kqh s ASP 296 CO 0.10 -0.20 1.74 0.77 0.68 0.00 0.00 175.17 178.26 3kqh h SER 297 N 2.52 0.33 -0.59 2.11 4.64 -1.94 -2.19 113.55 118.43 3kqh h SER 297 Ca -0.48 0.11 -0.01 0.00 -0.47 0.00 0.00 61.79 60.93 3kqh h SER 297 Cb 1.18 0.07 -0.03 0.00 -0.31 0.00 0.00 62.40 63.32 3kqh h SER 297 CO 0.64 0.12 0.31 0.74 -0.87 0.00 0.00 176.83 177.77 3kqh h THR 298 N 0.48 1.20 -0.25 2.95 2.02 -1.95 -0.24 112.91 117.12 3kqh h THR 298 Ca 0.43 -0.51 -0.03 0.00 0.77 0.00 0.00 66.41 67.07 3kqh h THR 298 Cb 0.64 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.51 3kqh h THR 298 CO -0.40 0.22 0.04 0.74 0.37 0.00 0.00 175.52 176.48 3kqh h THR 299 N 0.79 1.23 -0.49 3.16 2.02 -1.77 0.12 112.91 117.98 3kqh h THR 299 Ca 0.20 -0.79 -0.03 0.00 0.77 0.00 0.00 66.41 66.56 3kqh h THR 299 Cb 0.06 1.26 -0.02 0.00 -1.74 0.00 0.00 68.15 67.72 3kqh h THR 299 CO -0.03 0.25 0.18 0.40 0.37 0.00 0.00 175.52 176.69 3kqh h ILE 300 N 0.23 1.22 -0.38 3.11 2.04 -1.31 0.36 117.51 122.77 3kqh h ILE 300 Ca 0.08 -0.69 -0.12 0.00 1.00 0.00 0.00 64.86 65.12 3kqh h ILE 300 Cb 0.34 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 3kqh h ILE 300 CO 0.01 0.26 -0.25 0.25 0.00 0.00 0.00 178.15 178.41 3kqh h LEU 301 N 0.65 0.81 0.17 1.44 6.46 -1.01 -1.42 115.31 122.40 3kqh h LEU 301 Ca 0.16 -0.30 -0.01 0.00 -0.12 0.00 0.00 57.88 57.61 3kqh h LEU 301 Cb 0.22 -0.22 0.00 0.00 -0.73 0.00 0.00 40.66 39.93 3kqh h LEU 301 CO -0.01 1.02 -0.08 1.23 -0.62 0.00 0.00 178.44 179.98 3kqh h GLY 302 N 0.95 -0.23 1.44 3.75 0.00 -0.22 -2.05 103.07 106.70 3kqh h GLY 302 Ca 0.09 0.09 -0.03 0.00 0.00 0.00 0.00 47.33 47.48 3kqh h GLY 302 CO 0.06 -0.09 0.21 -2.22 0.00 0.00 0.00 176.54 174.51 3kqh h ILE 303 N -0.40 1.19 -0.58 2.60 2.04 -0.27 -2.04 117.51 120.05 3kqh h ILE 303 Ca -0.02 -0.57 -0.05 0.00 1.00 0.00 0.00 64.86 65.21 3kqh h ILE 303 Cb 0.31 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 36.94 3kqh h ILE 303 CO 0.04 0.23 0.15 1.23 0.00 0.00 0.00 178.15 179.79 3kqh h GLY 304 N 0.86 0.96 0.93 5.37 0.00 -1.16 -0.41 103.07 109.61 3kqh h GLY 304 Ca 0.18 -0.56 -0.04 0.00 0.00 0.00 0.00 47.33 46.91 3kqh h GLY 304 CO -0.02 0.52 0.09 -0.84 0.00 0.00 0.00 176.54 176.29 3kqh h THR 305 N 0.86 1.23 -0.44 4.70 2.02 -0.68 -1.32 112.91 119.28 3kqh h THR 305 Ca 0.19 -0.78 -0.10 0.00 0.77 0.00 0.00 66.41 66.49 3kqh h THR 305 Cb 0.30 1.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.71 3kqh h THR 305 CO -0.00 0.27 -0.12 1.62 0.37 0.00 0.00 175.52 177.65 3kqh h VAL 306 N 0.46 1.27 0.00 3.16 3.04 -1.10 -0.10 116.25 122.99 3kqh h VAL 306 Ca 0.12 -1.24 -0.02 0.00 -1.01 0.00 0.00 66.70 64.55 3kqh h VAL 306 Cb 0.31 1.17 -0.00 0.00 -2.01 0.00 0.00 31.29 30.76 3kqh h VAL 306 CO 0.00 0.42 -0.09 -0.07 -1.01 0.00 0.00 177.57 176.83 3kqh h LEU 307 N 0.68 0.00 0.00 3.16 3.38 -0.94 0.46 115.31 122.06 3kqh h LEU 307 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3kqh h LEU 307 Cb 0.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.41 3kqh h LEU 307 CO 0.05 0.09 -1.64 -0.67 0.09 0.00 0.00 178.44 176.35 3kqh n ASP 308 N -3.56 0.31 -0.01 -0.43 2.03 -0.51 -4.52 116.55 109.86 3kqh n ASP 308 Ca -0.02 0.12 0.04 0.00 0.52 0.00 0.00 54.79 55.44 3kqh n ASP 308 Cb 0.21 1.44 -0.06 0.00 -0.72 0.00 0.00 41.12 41.99 3kqh n ASP 308 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3kqh n GLN 309 N -2.41 0.45 -0.26 -0.67 6.02 -0.09 -4.81 117.38 115.61 3kqh n GLN 309 Ca -0.03 -0.07 -0.07 0.00 -0.01 0.00 0.00 57.00 56.83 3kqh n GLN 309 Cb 0.56 -1.20 -0.06 0.00 1.02 0.00 0.00 30.24 30.56 3kqh n GLN 309 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3kqh n ALA 310 N -1.83 -0.40 0.17 -1.58 0.00 0.16 -1.11 120.51 115.92 3kqh n ALA 310 Ca -0.02 0.53 -0.14 0.00 0.00 0.00 0.00 53.44 53.80 3kqh n ALA 310 Cb 0.26 0.09 -0.07 0.00 0.00 0.00 0.00 19.45 19.73 3kqh n ALA 310 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3kqh h GLU 311 N 0.00 -0.63 -0.03 0.00 4.81 -1.82 -1.24 114.58 115.66 3kqh h GLU 311 Ca 0.10 0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.38 3kqh h GLU 311 Cb 0.25 0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.78 3kqh h GLU 311 CO -0.58 -0.42 0.08 1.15 -0.73 0.00 0.00 179.01 178.51 3kqh h THR 312 N -0.65 0.23 -0.00 0.32 2.02 -1.82 0.98 112.91 113.98 3kqh h THR 312 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3kqh h THR 312 Cb 0.63 0.93 0.00 0.00 -1.74 0.00 0.00 68.15 67.97 3kqh h THR 312 CO -0.13 0.00 -0.07 0.00 0.37 0.00 0.00 175.52 175.69 3kqh n ALA 313 N -2.17 2.63 0.00 6.16 0.00 -0.27 -4.88 120.51 121.98 3kqh n ALA 313 Ca -0.02 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.22 3kqh n ALA 313 Cb 0.16 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.20 3kqh n ALA 313 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kqh n GLY 314 N 1.31 1.07 3.54 0.00 0.00 0.34 -2.58 105.19 108.87 3kqh n GLY 314 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 3kqh n GLY 314 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kqh n ALA 315 N -1.79 -1.09 0.02 4.61 0.00 -0.83 -4.85 120.51 116.58 3kqh n ALA 315 Ca 0.00 -0.30 0.01 0.00 0.00 0.00 0.00 53.44 53.15 3kqh n ALA 315 Cb 0.00 -1.98 -0.02 0.00 0.00 0.00 0.00 19.45 17.45 3kqh n ALA 315 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kqh n ARG 316 N -1.63 1.12 -3.69 0.00 1.74 0.12 -4.52 116.66 109.80 3kqh n ARG 316 Ca 0.11 -0.02 -0.10 0.00 -0.77 0.00 0.00 57.85 57.07 3kqh n ARG 316 Cb 0.50 -0.99 -0.10 0.00 -1.02 0.00 0.00 32.46 30.86 3kqh n ARG 316 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3kqh s LEU 317 N -3.00 -0.23 -0.19 0.55 2.96 -0.94 -2.33 118.68 115.51 3kqh s LEU 317 Ca -0.01 1.05 0.00 0.00 -0.22 0.00 0.00 54.13 54.95 3kqh s LEU 317 Cb 0.02 1.64 0.01 0.00 0.50 0.00 0.00 46.19 48.36 3kqh s LEU 317 CO 0.11 -0.20 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.08 3kqh s VAL 318 N 1.20 2.35 -0.24 1.68 1.01 -0.65 -1.10 120.40 124.64 3kqh s VAL 318 Ca -0.08 -0.84 -0.07 0.00 0.00 0.00 0.00 61.98 60.99 3kqh s VAL 318 Cb -0.07 -2.00 -0.03 0.00 0.00 0.00 0.00 36.38 34.28 3kqh s VAL 318 CO -0.11 0.52 0.06 -0.69 0.00 0.00 0.00 175.10 174.87 3kqh s VAL 319 N 1.30 4.26 -0.74 2.92 1.01 0.25 -0.42 120.40 128.98 3kqh s VAL 319 Ca 0.04 -0.19 -0.17 0.00 0.00 0.00 0.00 61.98 61.67 3kqh s VAL 319 Cb -0.13 -2.98 0.16 0.00 0.00 0.00 0.00 36.38 33.42 3kqh s VAL 319 CO -0.10 0.36 0.78 -0.76 0.00 0.00 0.00 175.10 175.38 3kqh s LEU 320 N 1.47 5.96 -0.04 3.92 1.43 0.90 0.68 118.68 133.00 3kqh s LEU 320 Ca 0.06 -2.08 -0.12 0.00 -1.03 0.00 0.00 54.13 50.95 3kqh s LEU 320 Cb -0.15 -2.27 -0.05 0.00 0.03 0.00 0.00 46.19 43.75 3kqh s LEU 320 CO 0.03 -0.86 0.32 0.00 0.23 0.00 0.00 176.35 176.06 3kqh s ALA 321 N 1.57 3.76 -0.25 4.21 0.00 -0.36 -1.24 121.76 129.45 3kqh s ALA 321 Ca 0.17 -0.36 -0.26 0.00 0.00 0.00 0.00 51.96 51.50 3kqh s ALA 321 Cb -0.16 -2.25 0.12 0.00 0.00 0.00 0.00 23.12 20.84 3kqh s ALA 321 CO -0.03 0.52 1.01 -0.08 0.00 0.00 0.00 175.76 177.18 3kqh s THR 322 N -1.04 0.00 -0.71 0.00 -1.32 -1.00 -0.91 115.64 110.65 3kqh s THR 322 Ca 0.21 0.00 0.24 0.00 -1.21 0.00 0.00 61.69 60.93 3kqh s THR 322 Cb -0.15 -1.00 0.03 0.00 -1.51 0.00 0.00 72.50 69.87 3kqh s THR 322 CO 0.10 0.00 1.32 0.00 -2.21 0.00 0.00 174.62 173.83 3kqh n ALA 323 N 1.85 3.07 -3.49 11.08 0.00 -1.25 -3.18 120.51 128.59 3kqh n ALA 323 Ca -0.12 -0.28 -0.27 0.00 0.00 0.00 0.00 53.44 52.77 3kqh n ALA 323 Cb 0.56 -1.15 -0.10 0.00 0.00 0.00 0.00 19.45 18.77 3kqh n ALA 323 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3kqh n THR 324 N -1.98 0.02 -1.06 0.00 -2.24 -1.26 -4.78 114.28 102.98 3kqh n THR 324 Ca 0.04 -4.11 -0.30 0.00 -2.27 0.00 0.00 64.05 57.40 3kqh n THR 324 Cb 0.42 -1.90 0.15 0.00 -2.10 0.00 0.00 70.33 66.90 3kqh n THR 324 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3kqh s PRO 325 N -0.86 1.09 0.09 -0.78 0.04 -1.26 -4.76 135.00 128.56 3kqh s PRO 325 Ca 0.32 0.97 -0.36 0.00 0.04 0.00 0.00 61.00 61.97 3kqh s PRO 325 Cb 0.06 -1.78 -0.16 0.00 0.04 0.00 0.00 34.50 32.66 3kqh s PRO 325 CO -0.15 -2.40 1.46 -2.30 0.04 0.00 0.00 177.00 173.65 3kqh n PRO 326 N -4.01 1.53 -0.46 0.56 -0.02 -1.26 -1.82 135.00 129.52 3kqh n PRO 326 Ca 0.07 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 3kqh n PRO 326 Cb 0.54 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 3kqh n PRO 326 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kqh n GLY 327 N 2.96 0.77 3.80 -1.23 0.00 -0.86 -4.91 105.19 105.72 3kqh n GLY 327 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 3kqh n GLY 327 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kqh s SER 328 N -2.07 6.03 -0.04 1.61 0.01 -0.76 -4.84 113.70 113.64 3kqh s SER 328 Ca 0.00 1.85 0.03 0.00 1.31 0.00 0.00 55.95 59.14 3kqh s SER 328 Cb 0.00 -2.54 0.01 0.00 0.21 0.00 0.00 66.02 63.69 3kqh s SER 328 CO 0.00 -0.99 -0.11 0.68 0.41 0.00 0.00 173.24 173.22 3kqh s VAL 329 N -2.27 1.01 0.09 3.43 -7.23 -1.26 -4.04 120.40 110.13 3kqh s VAL 329 Ca 0.65 -0.45 -0.31 0.00 -1.81 0.00 0.00 61.98 60.06 3kqh s VAL 329 Cb -0.16 -0.91 -0.10 0.00 0.56 0.00 0.00 36.38 35.78 3kqh s VAL 329 CO 0.30 0.31 1.82 0.42 -0.31 0.00 0.00 175.10 177.64 3kqh s THR 330 N 0.37 2.76 0.04 5.32 -4.23 -1.26 -4.99 115.64 113.64 3kqh s THR 330 Ca -0.08 0.15 0.00 0.00 -1.18 0.00 0.00 61.69 60.59 3kqh s THR 330 Cb -0.12 -3.10 -0.04 0.00 1.34 0.00 0.00 72.50 70.58 3kqh s THR 330 CO 0.02 -0.00 0.13 0.68 -0.54 0.00 0.00 174.62 174.90 3kqh s VAL 331 N 3.10 4.95 0.64 2.29 -7.23 -1.26 -5.08 120.40 117.81 3kqh s VAL 331 Ca 0.81 -0.48 -0.17 0.00 -1.81 0.00 0.00 61.98 60.32 3kqh s VAL 331 Cb -0.44 -3.35 -0.05 0.00 0.56 0.00 0.00 36.38 33.11 3kqh s VAL 331 CO 0.36 0.22 0.73 -2.65 -0.31 0.00 0.00 175.10 173.45 3kqh n PRO 332 N 0.68 0.57 -4.94 4.82 -0.02 -1.26 -5.00 135.00 129.85 3kqh n PRO 332 Ca -0.09 0.23 -0.33 0.00 -2.02 0.00 0.00 63.50 61.30 3kqh n PRO 332 Cb 0.52 -1.96 -0.15 0.00 -0.02 0.00 0.00 33.50 31.89 3kqh n PRO 332 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3kqh s HIS 333 N -1.72 2.70 0.15 6.00 2.46 -1.26 -5.05 115.29 118.57 3kqh s HIS 333 Ca 0.71 -0.64 -0.31 0.00 0.47 0.00 0.00 55.06 55.30 3kqh s HIS 333 Cb -0.40 -1.75 -0.06 0.00 -0.13 0.00 0.00 32.58 30.24 3kqh s HIS 333 CO 0.52 -0.18 1.55 -1.35 -2.47 0.00 0.00 174.74 172.81 3kqh h PRO 334 N 6.37 -0.14 -1.10 2.88 0.11 -1.98 -2.35 132.00 135.78 3kqh h PRO 334 Ca -0.29 0.01 -0.68 0.00 0.11 0.00 0.00 66.00 65.15 3kqh h PRO 334 Cb 1.20 0.03 -0.30 0.00 0.11 0.00 0.00 31.00 32.05 3kqh h PRO 334 CO 0.52 -0.09 0.79 0.27 -0.21 0.00 0.00 178.00 179.28 3kqh n ASN 335 N -5.31 7.51 -3.60 -2.05 2.04 -1.26 -4.84 115.26 107.75 3kqh n ASN 335 Ca 0.01 -3.79 -0.23 0.00 -0.44 0.00 0.00 54.58 50.12 3kqh n ASN 335 Cb 0.30 -0.95 -0.16 0.00 -2.53 0.00 0.00 39.78 36.44 3kqh n ASN 335 CO 0.00 0.00 0.00 -0.63 -0.44 0.00 0.00 177.26 176.19 3kqh s ILE 336 N -4.85 -0.14 -0.11 1.53 1.01 -0.89 -2.18 121.20 115.58 3kqh s ILE 336 Ca 0.63 -0.03 -0.16 0.00 0.00 0.00 0.00 60.65 61.08 3kqh s ILE 336 Cb 0.50 -0.51 -0.05 0.00 0.01 0.00 0.00 42.46 42.41 3kqh s ILE 336 CO -0.06 -0.17 0.41 -0.70 0.00 0.00 0.00 174.94 174.43 3kqh s GLU 337 N 2.19 4.23 -0.36 2.79 2.56 -0.54 -4.47 118.70 125.10 3kqh s GLU 337 Ca 0.03 0.34 -0.07 0.00 0.00 0.00 0.00 54.97 55.27 3kqh s GLU 337 Cb -0.15 -3.39 0.05 0.00 2.00 0.00 0.00 34.13 32.64 3kqh s GLU 337 CO -0.08 0.29 0.15 -1.21 -0.56 0.00 0.00 175.26 173.84 3kqh s GLU 338 N 0.24 2.61 -0.31 4.30 2.02 -1.26 0.12 118.70 126.41 3kqh s GLU 338 Ca 0.23 -1.26 -0.09 0.00 0.02 0.00 0.00 54.97 53.87 3kqh s GLU 338 Cb -0.15 -3.56 0.00 0.00 0.10 0.00 0.00 34.13 30.53 3kqh s GLU 338 CO 0.09 -0.75 0.13 0.08 0.02 0.00 0.00 175.26 174.84 3kqh s VAL 339 N 1.41 4.37 0.03 2.63 1.01 -0.63 -4.98 120.40 124.24 3kqh s VAL 339 Ca 0.00 -0.58 -0.30 0.00 0.00 0.00 0.00 61.98 61.10 3kqh s VAL 339 Cb -0.20 -3.27 -0.07 0.00 0.00 0.00 0.00 36.38 32.83 3kqh s VAL 339 CO 0.03 0.03 1.64 0.00 0.00 0.00 0.00 175.10 176.79 3kqh s ALA 340 N 1.56 3.65 0.55 5.51 0.00 -1.26 -3.43 121.76 128.34 3kqh s ALA 340 Ca 0.03 1.11 -0.20 0.00 0.00 0.00 0.00 51.96 52.91 3kqh s ALA 340 Cb -0.17 -3.70 -0.05 0.00 0.00 0.00 0.00 23.12 19.20 3kqh s ALA 340 CO 0.05 -1.17 1.19 -0.51 0.00 0.00 0.00 175.76 175.32 3kqh s LEU 341 N 3.00 3.76 0.00 0.00 1.43 -0.69 -4.93 118.68 121.25 3kqh s LEU 341 Ca 0.73 2.34 0.00 0.00 -1.03 0.00 0.00 54.13 56.17 3kqh s LEU 341 Cb -0.37 -4.51 0.00 0.00 0.03 0.00 0.00 46.19 41.33 3kqh s LEU 341 CO 0.31 -1.37 0.00 -0.24 0.23 0.00 0.00 176.35 175.28 3kqh n SER 342 N -1.28 1.75 0.09 2.29 2.88 -1.26 -4.91 113.62 113.17 3kqh n SER 342 Ca 0.12 -0.99 0.13 0.00 -1.33 0.00 0.00 58.87 56.80 3kqh n SER 342 Cb 0.49 0.00 0.45 0.00 -0.75 0.00 0.00 64.21 64.40 3kqh n SER 342 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 3kqh n SER 343 N -1.24 0.65 -4.59 -3.46 7.64 -1.26 -2.35 113.62 109.01 3kqh n SER 343 Ca 0.00 0.57 -0.43 0.00 1.01 0.00 0.00 58.87 60.02 3kqh n SER 343 Cb 0.00 -0.74 -0.02 0.00 -1.01 0.00 0.00 64.21 62.44 3kqh n SER 343 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3kqh s THR 344 N -3.10 4.08 0.00 0.44 2.01 -1.26 -4.57 115.64 113.24 3kqh s THR 344 Ca 0.11 1.03 0.00 0.00 0.31 0.00 0.00 61.69 63.13 3kqh s THR 344 Cb 0.13 -4.64 0.00 0.00 0.01 0.00 0.00 72.50 68.00 3kqh s THR 344 CO 0.56 -1.18 0.00 0.61 -0.69 0.00 0.00 174.62 173.93 3kqh n GLY 345 N 4.99 2.40 0.51 4.40 0.00 -1.26 -3.86 105.19 112.37 3kqh n GLY 345 Ca 0.11 -0.57 0.13 0.00 0.00 0.00 0.00 46.02 45.69 3kqh n GLY 345 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3kqh n GLU 346 N -0.60 1.53 -4.02 1.61 0.00 -1.26 -4.74 120.64 113.16 3kqh n GLU 346 Ca 0.00 -1.03 -0.31 0.00 0.00 0.00 0.00 57.16 55.82 3kqh n GLU 346 Cb 0.00 -1.48 -0.15 0.00 0.00 0.00 0.00 31.44 29.81 3kqh n GLU 346 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 3kqh s ILE 347 N -2.18 2.13 0.44 3.84 -1.09 -1.24 -4.99 121.20 118.12 3kqh s ILE 347 Ca 0.31 -1.95 -0.24 0.00 -2.23 0.00 0.00 60.65 56.53 3kqh s ILE 347 Cb 0.20 -2.42 -0.08 0.00 -1.58 0.00 0.00 42.46 38.58 3kqh s ILE 347 CO 0.40 -0.34 1.22 -2.16 -1.23 0.00 0.00 174.94 172.83 3kqh s PRO 348 N 1.04 3.81 0.00 2.79 0.04 -1.26 0.71 135.00 142.13 3kqh s PRO 348 Ca 0.02 1.94 0.00 0.00 0.04 0.00 0.00 61.00 63.00 3kqh s PRO 348 Cb -0.19 -2.55 0.00 0.00 0.04 0.00 0.00 34.50 31.80 3kqh s PRO 348 CO -0.07 -0.55 0.00 0.34 0.04 0.00 0.00 177.00 176.75 3kqh n PHE 349 N -0.25 0.00 -2.83 0.56 7.35 0.79 -4.84 117.46 118.24 3kqh n PHE 349 Ca 0.06 0.00 -0.26 0.00 -0.76 0.00 0.00 57.45 56.49 3kqh n PHE 349 Cb 0.46 0.00 -0.03 0.00 0.35 0.00 0.00 39.48 40.26 3kqh n PHE 349 CO 0.00 0.00 0.00 0.66 -0.76 0.00 0.00 176.76 176.66 3kqh n TYR 350 N 0.00 3.55 0.00 -5.13 4.02 -1.26 -4.76 117.16 113.58 3kqh n TYR 350 Ca 0.00 -3.72 0.00 0.00 -0.01 0.00 0.00 57.90 54.17 3kqh n TYR 350 Cb 0.00 -0.37 0.00 0.00 -0.02 0.00 0.00 39.34 38.95 3kqh n TYR 350 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3kqh n GLY 351 N -0.27 2.36 0.00 2.72 0.00 -1.26 -5.05 105.19 103.69 3kqh n GLY 351 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.34 3kqh n GLY 351 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kqh n LYS 352 N -0.28 2.38 -3.73 1.61 4.01 -1.26 -4.96 118.16 115.93 3kqh n LYS 352 Ca 0.00 0.00 -0.10 0.00 -0.51 0.00 0.00 58.31 57.70 3kqh n LYS 352 Cb 0.00 0.00 -0.05 0.00 -0.51 0.00 0.00 35.03 34.47 3kqh n LYS 352 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3kqh s ALA 353 N -2.00 -0.67 -0.24 7.82 0.00 -0.99 -0.15 121.76 125.53 3kqh s ALA 353 Ca 0.00 -0.28 -0.03 0.00 0.00 0.00 0.00 51.96 51.65 3kqh s ALA 353 Cb 0.00 0.66 0.01 0.00 0.00 0.00 0.00 23.12 23.79 3kqh s ALA 353 CO 0.00 -0.62 -0.05 0.42 0.00 0.00 0.00 175.76 175.51 3kqh s ILE 354 N -3.84 3.11 -0.13 0.00 1.09 0.22 -4.28 121.20 117.37 3kqh s ILE 354 Ca 0.05 -0.79 -0.33 0.00 -1.10 0.00 0.00 60.65 58.48 3kqh s ILE 354 Cb 0.03 -2.50 -0.11 0.00 -1.06 0.00 0.00 42.46 38.82 3kqh s ILE 354 CO -0.10 0.29 1.98 -2.65 -0.10 0.00 0.00 174.94 174.36 3kqh n PRO 355 N 4.73 2.07 0.11 2.79 -0.02 -1.25 -3.63 135.00 139.79 3kqh n PRO 355 Ca -0.17 0.72 0.19 0.00 -2.02 0.00 0.00 63.50 62.22 3kqh n PRO 355 Cb 0.49 -2.73 0.63 0.00 -0.02 0.00 0.00 33.50 31.87 3kqh n PRO 355 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 3kqh h ILE 356 N 5.92 0.18 0.00 4.25 6.09 -1.95 0.14 117.51 132.13 3kqh h ILE 356 Ca -0.45 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.04 3kqh h ILE 356 Cb 1.27 0.46 0.00 0.00 0.47 0.00 0.00 36.82 39.02 3kqh h ILE 356 CO 0.96 0.00 0.00 1.21 -3.07 0.00 0.00 178.15 177.25 3kqh n GLU 357 N -3.32 0.85 -0.02 2.19 4.07 -1.26 -1.60 120.64 121.55 3kqh n GLU 357 Ca 0.08 0.00 -0.02 0.00 -0.06 0.00 0.00 57.16 57.15 3kqh n GLU 357 Cb 0.79 -1.42 -0.02 0.00 -0.06 0.00 0.00 31.44 30.72 3kqh n GLU 357 CO 0.00 0.00 0.00 2.41 -0.06 0.00 0.00 177.13 179.48 3kqh n THR 358 N 0.08 0.23 0.18 6.31 -1.04 0.49 -4.72 114.28 115.81 3kqh n THR 358 Ca 0.00 -0.11 0.04 0.00 -2.04 0.00 0.00 64.05 61.94 3kqh n THR 358 Cb 0.22 -0.77 0.06 0.00 -1.82 0.00 0.00 70.33 68.02 3kqh n THR 358 CO 0.00 0.00 0.00 2.30 -0.64 0.00 0.00 175.07 176.73 3kqh n ILE 359 N -2.40 0.34 -0.27 12.58 -5.35 -1.13 -4.71 119.36 118.41 3kqh n ILE 359 Ca -0.06 -0.67 -0.02 0.00 -0.27 0.00 0.00 62.75 61.72 3kqh n ILE 359 Cb 0.59 0.94 0.04 0.00 -1.74 0.00 0.00 39.64 39.47 3kqh n ILE 359 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 3kqh h LYS 360 N 1.51 -0.08 -4.32 6.28 3.64 -1.58 -3.43 116.57 118.59 3kqh h LYS 360 Ca 0.00 0.01 -0.15 0.00 -1.27 0.00 0.00 60.65 59.23 3kqh h LYS 360 Cb 0.44 0.02 -0.16 0.00 -0.41 0.00 0.00 32.23 32.12 3kqh h LYS 360 CO 0.00 -0.05 -0.69 0.20 -2.27 0.00 0.00 179.45 176.64 3kqh s GLY 361 N -3.41 0.52 0.00 5.01 0.00 -1.26 -4.94 107.32 103.24 3kqh s GLY 361 Ca -0.14 -1.17 0.00 0.00 0.00 0.00 0.00 44.72 43.41 3kqh s GLY 361 CO 0.71 -1.27 0.00 0.61 0.00 0.00 0.00 173.10 173.15 3kqh n GLY 362 N 0.26 -1.83 3.35 0.20 0.00 -1.26 -4.93 105.19 100.98 3kqh n GLY 362 Ca -0.15 -2.08 -0.36 0.00 0.00 0.00 0.00 46.02 43.43 3kqh n GLY 362 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kqh s ARG 363 N -0.10 3.29 0.03 1.61 0.52 -1.26 0.12 118.95 123.17 3kqh s ARG 363 Ca 0.00 -0.71 0.04 0.00 -0.52 0.00 0.00 55.73 54.54 3kqh s ARG 363 Cb 0.00 -3.25 -0.02 0.00 0.52 0.00 0.00 34.95 32.20 3kqh s ARG 363 CO 0.00 -0.31 -0.13 -1.01 0.02 0.00 0.00 175.30 173.87 3kqh s HIS 364 N 1.51 1.11 -0.12 -0.53 3.76 -0.53 0.30 115.29 120.79 3kqh s HIS 364 Ca 0.04 -0.33 0.01 0.00 -0.15 0.00 0.00 55.06 54.63 3kqh s HIS 364 Cb -0.16 -0.66 -0.01 0.00 1.11 0.00 0.00 32.58 32.86 3kqh s HIS 364 CO 0.01 0.01 -0.18 -1.17 -0.85 0.00 0.00 174.74 172.57 3kqh s LEU 365 N -1.02 2.42 -0.08 0.89 2.96 -0.86 -0.15 118.68 122.84 3kqh s LEU 365 Ca 0.01 -0.45 0.04 0.00 -0.22 0.00 0.00 54.13 53.51 3kqh s LEU 365 Cb -0.07 -1.52 0.00 0.00 0.50 0.00 0.00 46.19 45.09 3kqh s LEU 365 CO 0.01 0.14 -0.21 -0.63 -1.32 0.00 0.00 176.35 174.34 3kqh s ILE 366 N 0.46 1.80 -0.19 6.68 -1.09 0.27 -0.00 121.20 129.13 3kqh s ILE 366 Ca -0.12 -0.88 -0.09 0.00 -2.23 0.00 0.00 60.65 57.32 3kqh s ILE 366 Cb -0.17 -1.56 -0.05 0.00 -1.58 0.00 0.00 42.46 39.11 3kqh s ILE 366 CO 0.05 0.50 0.10 -0.36 -1.23 0.00 0.00 174.94 174.00 3kqh s PHE 367 N 0.28 3.33 -0.06 3.97 0.40 0.06 -0.50 117.98 125.47 3kqh s PHE 367 Ca -0.14 0.20 0.06 0.00 -0.60 0.00 0.00 56.93 56.45 3kqh s PHE 367 Cb -0.16 -2.12 -0.01 0.00 0.51 0.00 0.00 43.02 41.23 3kqh s PHE 367 CO 0.06 0.21 -0.23 0.00 0.70 0.00 0.00 175.22 175.96 3kqh h HIS 369 N 5.93 0.77 -2.64 0.00 2.07 -1.88 -3.39 115.15 116.01 3kqh h HIS 369 Ca -0.35 -0.00 -0.56 0.00 -2.85 0.00 0.00 60.37 56.61 3kqh h HIS 369 Cb 1.17 -0.25 -0.05 0.00 2.57 0.00 0.00 27.41 30.84 3kqh h HIS 369 CO 0.43 0.53 -0.53 -1.54 -3.07 0.00 0.00 177.93 173.75 3kqh s SER 370 N -5.82 5.79 0.29 3.10 1.04 -1.26 -4.74 113.70 112.10 3kqh s SER 370 Ca -0.13 -0.03 0.26 0.00 0.48 0.00 0.00 55.95 56.52 3kqh s SER 370 Cb 0.13 -1.60 0.91 0.00 0.10 0.00 0.00 66.02 65.57 3kqh s SER 370 CO 0.76 0.06 1.76 0.50 0.98 0.00 0.00 173.24 177.30 3kqh h LYS 371 N 2.29 0.00 0.19 4.02 3.64 -1.99 -3.11 116.57 121.60 3kqh h LYS 371 Ca -0.48 0.00 -0.28 0.00 -1.27 0.00 0.00 60.65 58.62 3kqh h LYS 371 Cb 1.20 0.00 0.03 0.00 -0.41 0.00 0.00 32.23 33.05 3kqh h LYS 371 CO 0.65 0.00 -1.22 1.57 -2.27 0.00 0.00 179.45 178.18 3kqh h LYS 372 N 0.00 0.49 0.00 1.90 2.10 -1.97 -3.27 116.57 115.83 3kqh h LYS 372 Ca 0.00 -0.78 -0.01 0.00 -2.00 0.00 0.00 60.65 57.86 3kqh h LYS 372 Cb 0.57 0.28 -0.00 0.00 -0.90 0.00 0.00 32.23 32.18 3kqh h LYS 372 CO 0.00 1.37 -0.03 0.87 -2.00 0.00 0.00 179.45 179.65 3kqh h LYS 373 N 0.03 0.00 -0.35 0.07 1.57 -1.95 -2.49 116.57 113.45 3kqh h LYS 373 Ca -0.21 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.43 3kqh h LYS 373 Cb 1.94 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.24 3kqh h LYS 373 CO 0.23 0.03 -0.37 0.00 -0.57 0.00 0.00 179.45 178.77 3kqh h ASP 375 N 0.68 0.43 0.03 0.00 3.45 -1.57 -1.90 116.42 117.54 3kqh h ASP 375 Ca 0.06 -0.73 -0.00 0.00 0.43 0.00 0.00 57.03 56.79 3kqh h ASP 375 Cb 0.93 -0.13 0.00 0.00 -0.56 0.00 0.00 39.33 39.57 3kqh h ASP 375 CO 0.09 1.10 -0.02 -0.33 -1.57 0.00 0.00 179.24 178.51 3kqh h GLU 376 N -0.20 -0.04 -0.45 3.56 5.08 -1.48 -0.54 114.58 120.52 3kqh h GLU 376 Ca -0.05 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 3kqh h GLU 376 Cb 1.14 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.38 3kqh h GLU 376 CO 0.09 -0.02 0.16 1.25 -1.00 0.00 0.00 179.01 179.49 3kqh h LEU 377 N -0.05 0.63 0.00 1.33 5.85 -1.29 0.32 115.31 122.09 3kqh h LEU 377 Ca -0.00 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.53 3kqh h LEU 377 Cb 0.04 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 40.91 3kqh h LEU 377 CO 0.01 0.64 0.00 0.00 -0.34 0.00 0.00 178.44 178.75 3kqh n ALA 378 N -2.33 1.82 -0.10 1.25 0.00 -0.71 -1.75 120.51 118.70 3kqh n ALA 378 Ca 0.01 -0.07 -0.10 0.00 0.00 0.00 0.00 53.44 53.28 3kqh n ALA 378 Cb 0.16 -1.23 -0.15 0.00 0.00 0.00 0.00 19.45 18.23 3kqh n ALA 378 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kqh n ALA 379 N -1.27 1.52 0.02 0.00 0.00 -0.22 -3.19 120.51 117.37 3kqh n ALA 379 Ca 0.07 -1.29 -0.19 0.00 0.00 0.00 0.00 53.44 52.04 3kqh n ALA 379 Cb 0.11 -0.16 -0.11 0.00 0.00 0.00 0.00 19.45 19.29 3kqh n ALA 379 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3kqh h LYS 380 N 0.00 0.53 -0.12 0.00 3.64 -0.31 -1.91 116.57 118.40 3kqh h LYS 380 Ca -0.53 -0.58 -0.13 0.00 -1.27 0.00 0.00 60.65 58.15 3kqh h LYS 380 Cb 2.20 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 34.19 3kqh h LYS 380 CO 0.03 1.20 -0.42 -0.07 -2.27 0.00 0.00 179.45 177.92 3kqh h LEU 381 N 0.10 0.57 -0.19 5.20 3.38 -1.55 -3.18 115.31 119.63 3kqh h LEU 381 Ca -0.10 -0.61 0.01 0.00 0.09 0.00 0.00 57.88 57.27 3kqh h LEU 381 Cb 1.48 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 42.05 3kqh h LEU 381 CO 0.16 1.09 0.10 -1.28 0.09 0.00 0.00 178.44 178.60 3kqh h SER 382 N 0.08 0.16 -0.09 -0.43 0.87 -1.64 -1.41 113.55 111.10 3kqh h SER 382 Ca -0.02 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.48 3kqh h SER 382 Cb 1.05 -0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 62.95 3kqh h SER 382 CO 0.09 0.12 0.04 0.61 -0.53 0.00 0.00 176.83 177.17 3kqh n GLY 383 N -1.15 2.81 0.00 5.77 0.00 -0.72 -2.72 105.19 109.18 3kqh n GLY 383 Ca -0.03 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.71 3kqh n GLY 383 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3kqh n LEU 384 N 1.38 0.00 0.00 0.99 7.94 -0.56 -4.93 117.00 121.82 3kqh n LEU 384 Ca 0.08 -0.11 0.00 0.00 -1.11 0.00 0.00 56.01 54.87 3kqh n LEU 384 Cb 0.54 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.49 3kqh n LEU 384 CO 0.07 0.11 0.00 0.61 -1.11 0.00 0.00 177.39 177.08 3kqh n GLY 385 N 0.00 1.53 3.85 -3.96 0.00 -1.10 -5.05 105.19 100.46 3kqh n GLY 385 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 3kqh n GLY 385 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kqh s LEU 386 N 0.00 4.02 -0.86 0.99 1.43 -1.03 -5.01 118.68 118.21 3kqh s LEU 386 Ca 0.00 1.30 -0.18 0.00 -1.03 0.00 0.00 54.13 54.22 3kqh s LEU 386 Cb 0.00 -4.12 0.14 0.00 0.03 0.00 0.00 46.19 42.24 3kqh s LEU 386 CO 0.00 -0.25 1.00 0.21 0.23 0.00 0.00 176.35 177.54 3kqh s ASN 387 N -2.39 6.58 -0.05 2.29 3.04 -1.26 -3.92 114.94 119.23 3kqh s ASN 387 Ca 0.55 -2.04 0.06 0.00 0.04 0.00 0.00 52.86 51.46 3kqh s ASN 387 Cb -0.10 -2.35 -0.01 0.00 -1.54 0.00 0.00 41.25 37.24 3kqh s ASN 387 CO 0.19 -1.00 -0.24 0.00 -3.04 0.00 0.00 177.10 173.01 3kqh s ALA 388 N 2.27 2.20 -0.05 1.71 0.00 -1.26 -0.32 121.76 126.30 3kqh s ALA 388 Ca 0.27 -1.05 0.00 0.00 0.00 0.00 0.00 51.96 51.18 3kqh s ALA 388 Cb -0.09 -0.68 0.02 0.00 0.00 0.00 0.00 23.12 22.38 3kqh s ALA 388 CO -0.07 0.43 -0.03 0.14 0.00 0.00 0.00 175.76 176.24 3kqh s VAL 389 N -0.24 0.45 0.32 0.00 -7.23 -0.67 -4.72 120.40 108.32 3kqh s VAL 389 Ca -0.01 -0.02 -0.21 0.00 -1.81 0.00 0.00 61.98 59.92 3kqh s VAL 389 Cb -0.13 -0.53 -0.10 0.00 0.56 0.00 0.00 36.38 36.18 3kqh s VAL 389 CO 0.03 0.23 0.85 0.00 -0.31 0.00 0.00 175.10 175.90 3kqh s ALA 390 N 1.28 3.24 0.01 1.32 0.00 -1.26 -3.00 121.76 123.36 3kqh s ALA 390 Ca -0.05 0.32 0.01 0.00 0.00 0.00 0.00 51.96 52.24 3kqh s ALA 390 Cb -0.14 -3.01 -0.01 0.00 0.00 0.00 0.00 23.12 19.96 3kqh s ALA 390 CO -0.02 0.23 -0.05 -0.47 0.00 0.00 0.00 175.76 175.45 3kqh s TYR 391 N -1.80 0.43 -0.06 0.00 5.04 -0.11 -4.93 117.35 115.92 3kqh s TYR 391 Ca 0.52 -0.26 -0.32 0.00 -2.44 0.00 0.00 57.07 54.57 3kqh s TYR 391 Cb -0.14 -0.27 0.13 0.00 0.35 0.00 0.00 41.96 42.03 3kqh s TYR 391 CO 0.19 -0.05 1.34 1.52 -1.34 0.00 0.00 175.55 177.21 3kqh s TYR 392 N -0.67 -0.03 -0.02 4.97 -0.85 -1.26 -2.64 117.35 116.85 3kqh s TYR 392 Ca -0.04 -0.03 -0.39 0.00 -0.52 0.00 0.00 57.07 56.08 3kqh s TYR 392 Cb -0.05 0.53 -0.18 0.00 0.38 0.00 0.00 41.96 42.64 3kqh s TYR 392 CO -0.00 -0.17 1.30 -2.13 -1.52 0.00 0.00 175.55 173.03 3kqh n ARG 393 N -0.47 0.65 0.00 -3.49 0.63 -1.26 -2.43 116.66 110.30 3kqh n ARG 393 Ca -0.08 0.24 0.00 0.00 -0.92 0.00 0.00 57.85 57.08 3kqh n ARG 393 Cb 0.63 -1.82 0.00 0.00 0.45 0.00 0.00 32.46 31.72 3kqh n ARG 393 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3kqh n GLY 394 N 2.43 2.41 3.46 5.14 0.00 -1.26 -5.07 105.19 112.30 3kqh n GLY 394 Ca 0.21 -0.77 -0.35 0.00 0.00 0.00 0.00 46.02 45.11 3kqh n GLY 394 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kqh n LEU 395 N 0.00 0.74 -4.71 0.99 4.77 -1.02 -4.94 117.00 112.83 3kqh n LEU 395 Ca 0.00 0.48 -0.39 0.00 -0.03 0.00 0.00 56.01 56.07 3kqh n LEU 395 Cb 0.00 -1.24 -0.05 0.00 -2.33 0.00 0.00 43.42 39.80 3kqh n LEU 395 CO 0.00 -3.19 0.32 -0.62 -1.33 0.00 0.00 177.39 172.57 3kqh s ASP 396 N -1.75 6.85 0.60 -1.43 2.15 -1.26 -4.86 116.67 116.97 3kqh s ASP 396 Ca 0.63 1.02 0.34 0.00 0.43 0.00 0.00 52.55 54.98 3kqh s ASP 396 Cb -0.29 -2.36 1.87 0.00 -0.30 0.00 0.00 42.92 41.84 3kqh s ASP 396 CO 0.61 -0.10 2.05 0.58 -0.17 0.00 0.00 175.17 178.14 3kqh h VAL 397 N 4.80 0.00 0.00 1.11 2.07 -1.92 -1.94 116.25 120.38 3kqh h VAL 397 Ca -0.40 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.12 3kqh h VAL 397 Cb 1.18 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 31.72 3kqh h VAL 397 CO 0.76 0.00 0.00 -1.20 0.02 0.00 0.00 177.57 177.15 3kqh n SER 398 N -2.83 0.00 -1.07 0.57 7.64 -1.26 -2.67 113.62 114.01 3kqh n SER 398 Ca -0.02 -0.65 0.06 0.00 1.01 0.00 0.00 58.87 59.26 3kqh n SER 398 Cb 0.19 0.00 0.22 0.00 -1.01 0.00 0.00 64.21 63.61 3kqh n SER 398 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 3kqh n VAL 399 N -0.85 1.11 -5.12 0.44 0.24 -0.73 -4.83 118.33 108.58 3kqh n VAL 399 Ca 0.09 -0.70 -0.30 0.00 -2.04 0.00 0.00 64.34 61.38 3kqh n VAL 399 Cb 0.04 -0.04 -0.17 0.00 -1.47 0.00 0.00 33.84 32.20 3kqh n VAL 399 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 3kqh s ILE 400 N -1.73 1.87 -0.13 1.34 1.01 -1.09 -4.93 121.20 117.54 3kqh s ILE 400 Ca 0.31 -0.94 -0.29 0.00 0.00 0.00 0.00 60.65 59.72 3kqh s ILE 400 Cb 0.20 -1.60 -0.02 0.00 0.01 0.00 0.00 42.46 41.05 3kqh s ILE 400 CO 0.15 0.52 1.17 -2.16 0.00 0.00 0.00 174.94 174.62 3kqh s PRO 401 N 0.08 4.30 0.15 2.79 0.04 -1.26 -4.94 135.00 136.17 3kqh s PRO 401 Ca -0.09 1.58 -0.17 0.00 0.04 0.00 0.00 61.00 62.36 3kqh s PRO 401 Cb -0.15 -3.64 0.05 0.00 0.04 0.00 0.00 34.50 30.80 3kqh s PRO 401 CO 0.05 -0.55 1.74 1.15 0.04 0.00 0.00 177.00 179.42 3kqh h THR 402 N 5.27 0.86 -3.74 1.26 2.02 -1.98 -3.42 112.91 113.18 3kqh h THR 402 Ca -0.28 -0.07 -0.50 0.00 0.77 0.00 0.00 66.41 66.32 3kqh h THR 402 Cb 1.12 0.64 -0.32 0.00 -1.74 0.00 0.00 68.15 67.85 3kqh h THR 402 CO 0.93 0.04 -0.81 -0.44 0.37 0.00 0.00 175.52 175.60 3kqh s SER 403 N -5.32 1.72 0.00 4.18 0.01 -1.26 -5.09 113.70 107.93 3kqh s SER 403 Ca -0.13 -0.28 0.00 0.00 1.31 0.00 0.00 55.95 56.85 3kqh s SER 403 Cb 0.12 -0.56 0.00 0.00 0.21 0.00 0.00 66.02 65.79 3kqh s SER 403 CO 0.71 0.09 0.00 0.61 0.41 0.00 0.00 173.24 175.05 3kqh n GLY 404 N 3.38 4.07 3.66 3.44 0.00 -1.26 -5.05 105.19 113.43 3kqh n GLY 404 Ca -0.19 -1.60 -0.42 0.00 0.00 0.00 0.00 46.02 43.80 3kqh n GLY 404 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kqh s ASP 405 N 0.00 6.59 -0.14 1.61 1.01 -1.26 -4.48 116.67 119.99 3kqh s ASP 405 Ca 0.00 2.29 -0.27 0.00 0.71 0.00 0.00 52.55 55.28 3kqh s ASP 405 Cb 0.00 -2.53 0.07 0.00 1.01 0.00 0.00 42.92 41.46 3kqh s ASP 405 CO 0.00 -0.99 0.67 0.54 0.21 0.00 0.00 175.17 175.60 3kqh s VAL 406 N 4.26 0.00 -0.16 -1.27 0.11 0.12 -4.76 120.40 118.70 3kqh s VAL 406 Ca 0.77 -0.02 -0.03 0.00 -2.93 0.00 0.00 61.98 59.77 3kqh s VAL 406 Cb -0.35 -0.97 -0.02 0.00 -1.53 0.00 0.00 36.38 33.51 3kqh s VAL 406 CO 0.32 -0.01 -0.06 -0.63 -3.33 0.00 0.00 175.10 171.39 3kqh s ILE 407 N -0.50 3.65 -0.26 7.04 -1.09 0.56 -1.45 121.20 129.16 3kqh s ILE 407 Ca -0.06 -0.44 -0.01 0.00 -2.23 0.00 0.00 60.65 57.91 3kqh s ILE 407 Cb -0.02 -2.60 0.03 0.00 -1.58 0.00 0.00 42.46 38.29 3kqh s ILE 407 CO 0.06 0.49 -0.06 -0.69 -1.23 0.00 0.00 174.94 173.50 3kqh s VAL 408 N 0.52 2.77 -0.36 2.92 1.01 0.79 -1.67 120.40 126.37 3kqh s VAL 408 Ca -0.04 -1.16 -0.10 0.00 0.00 0.00 0.00 61.98 60.67 3kqh s VAL 408 Cb -0.15 -2.46 0.03 0.00 0.00 0.00 0.00 36.38 33.80 3kqh s VAL 408 CO 0.03 0.13 0.19 -0.69 0.00 0.00 0.00 175.10 174.76 3kqh s VAL 409 N 1.28 4.46 0.34 2.92 1.01 -1.16 0.97 120.40 130.22 3kqh s VAL 409 Ca -0.02 -0.86 -0.01 0.00 0.00 0.00 0.00 61.98 61.10 3kqh s VAL 409 Cb -0.17 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 32.74 3kqh s VAL 409 CO -0.04 -0.20 0.45 0.00 0.00 0.00 0.00 175.10 175.31 3kqh n ALA 410 N 4.97 -0.19 -2.53 5.51 0.00 0.35 -0.94 120.51 127.68 3kqh n ALA 410 Ca -0.12 -1.64 0.00 0.00 0.00 0.00 0.00 53.44 51.68 3kqh n ALA 410 Cb 0.46 1.32 0.00 0.00 0.00 0.00 0.00 19.45 21.23 3kqh n ALA 410 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3kqh n THR 411 N -0.58 0.00 1.77 0.00 -2.24 -1.08 -1.33 114.28 110.82 3kqh n THR 411 Ca 0.02 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.81 3kqh n THR 411 Cb 0.58 -1.10 0.03 0.00 -2.10 0.00 0.00 70.33 67.74 3kqh n THR 411 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3kqh n ASP 412 N -2.11 0.38 -4.55 3.42 8.00 -1.26 -4.84 116.55 115.59 3kqh n ASP 412 Ca 0.00 -2.00 -0.46 0.00 0.71 0.00 0.00 54.79 53.04 3kqh n ASP 412 Cb 0.00 -0.05 -0.04 0.00 -0.02 0.00 0.00 41.12 41.00 3kqh n ASP 412 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kqh n ALA 413 N -0.30 1.53 -1.60 2.24 0.00 -1.26 -4.82 120.51 116.30 3kqh n ALA 413 Ca 0.02 -0.16 -0.53 0.00 0.00 0.00 0.00 53.44 52.77 3kqh n ALA 413 Cb 0.06 -2.78 -0.06 0.00 0.00 0.00 0.00 19.45 16.67 3kqh n ALA 413 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3kqh n LEU 414 N 10.86 1.66 -3.71 0.00 0.00 -1.26 -4.85 117.00 119.69 3kqh n LEU 414 Ca 0.33 1.12 -0.41 0.00 0.00 0.00 0.00 56.01 57.04 3kqh n LEU 414 Cb 0.37 -1.18 0.01 0.00 0.00 0.00 0.00 43.42 42.62 3kqh n LEU 414 CO 0.70 -1.02 1.74 0.23 0.00 0.00 0.00 177.39 179.04 3kqh n MET 415 N 2.77 4.69 -1.60 1.96 2.81 -1.26 -5.02 117.12 121.47 3kqh n MET 415 Ca 0.19 -4.10 -0.46 0.00 -1.81 0.00 0.00 57.70 51.52 3kqh n MET 415 Cb 0.18 -2.60 -0.02 0.00 -0.71 0.00 0.00 33.22 30.07 3kqh n MET 415 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 3kqh n THR 416 N 1.33 1.61 -2.19 2.03 -1.04 -1.26 -2.57 114.28 112.19 3kqh n THR 416 Ca 0.46 -0.40 -0.03 0.00 -2.04 0.00 0.00 64.05 62.03 3kqh n THR 416 Cb 0.29 -1.03 0.00 0.00 -1.82 0.00 0.00 70.33 67.77 3kqh n THR 416 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3kqh n GLY 417 N 1.50 0.34 3.46 3.41 0.00 -1.26 -4.92 105.19 107.72 3kqh n GLY 417 Ca 0.11 -0.71 -0.08 0.00 0.00 0.00 0.00 46.02 45.35 3kqh n GLY 417 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3kqh s PHE 418 N -2.35 -0.91 0.29 1.61 5.36 -1.06 -5.04 117.98 115.88 3kqh s PHE 418 Ca 0.02 1.78 -0.16 0.00 -0.96 0.00 0.00 56.93 57.61 3kqh s PHE 418 Cb -0.01 0.49 -0.09 0.00 -0.34 0.00 0.00 43.02 43.07 3kqh s PHE 418 CO 0.02 -0.48 0.72 0.99 -1.46 0.00 0.00 175.22 175.02 3kqh s THR 419 N 1.85 4.66 0.00 0.12 2.01 -1.26 -4.92 115.64 118.10 3kqh s THR 419 Ca -0.08 1.02 0.00 0.00 0.31 0.00 0.00 61.69 62.94 3kqh s THR 419 Cb -0.08 -3.68 0.00 0.00 0.01 0.00 0.00 72.50 68.75 3kqh s THR 419 CO -0.16 -0.07 0.00 0.61 -0.69 0.00 0.00 174.62 174.31 3kqh n GLY 420 N -0.04 -2.00 3.34 4.40 0.00 -1.26 -4.91 105.19 104.71 3kqh n GLY 420 Ca 0.02 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.86 3kqh n GLY 420 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3kqh n ASP 421 N 0.00 -5.89 -4.22 1.61 4.64 -1.26 -5.00 116.55 106.43 3kqh n ASP 421 Ca 0.00 -0.75 -0.34 0.00 -1.38 0.00 0.00 54.79 52.32 3kqh n ASP 421 Cb 0.00 -4.93 -0.15 0.00 -1.04 0.00 0.00 41.12 35.00 3kqh n ASP 421 CO 0.00 0.00 0.00 -0.36 -0.82 0.00 0.00 177.20 176.02 3kqh s PHE 422 N -3.41 2.90 0.24 -0.67 0.08 -1.25 -4.88 117.98 110.99 3kqh s PHE 422 Ca 0.41 -1.30 -0.06 0.00 0.12 0.00 0.00 56.93 56.10 3kqh s PHE 422 Cb -0.07 -2.02 0.45 0.00 -0.57 0.00 0.00 43.02 40.81 3kqh s PHE 422 CO 0.76 -0.68 1.67 -0.44 -0.10 0.00 0.00 175.22 176.43 3kqh h ASP 423 N 8.03 -0.11 -5.56 1.36 3.32 -0.49 -3.40 116.42 119.57 3kqh h ASP 423 Ca -0.42 0.16 -0.23 0.00 0.02 0.00 0.00 57.03 56.56 3kqh h ASP 423 Cb 1.15 0.25 -0.14 0.00 0.22 0.00 0.00 39.33 40.80 3kqh h ASP 423 CO 0.61 -0.09 -0.55 -0.94 -1.72 0.00 0.00 179.24 176.55 3kqh s SER 424 N -5.22 0.20 -0.03 6.45 1.04 -1.23 -1.53 113.70 113.38 3kqh s SER 424 Ca -0.13 -1.35 -0.01 0.00 0.48 0.00 0.00 55.95 54.94 3kqh s SER 424 Cb 0.21 0.41 0.03 0.00 0.10 0.00 0.00 66.02 66.78 3kqh s SER 424 CO 0.75 -0.89 0.06 -0.69 0.98 0.00 0.00 173.24 173.45 3kqh s VAL 425 N -4.10 -0.09 -0.20 5.02 1.01 0.21 -2.02 120.40 120.22 3kqh s VAL 425 Ca 0.37 0.31 -0.04 0.00 0.00 0.00 0.00 61.98 62.62 3kqh s VAL 425 Cb 0.06 -0.13 -0.02 0.00 0.00 0.00 0.00 36.38 36.29 3kqh s VAL 425 CO 0.12 0.13 -0.02 -0.63 0.00 0.00 0.00 175.10 174.71 3kqh s ILE 426 N 1.60 3.73 -0.08 2.22 1.01 0.99 -0.47 121.20 130.20 3kqh s ILE 426 Ca -0.03 -0.38 0.04 0.00 0.00 0.00 0.00 60.65 60.28 3kqh s ILE 426 Cb -0.12 -2.69 -0.01 0.00 0.01 0.00 0.00 42.46 39.65 3kqh s ILE 426 CO -0.03 0.43 -0.22 -0.62 0.00 0.00 0.00 174.94 174.50 3kqh s ASP 427 N 1.13 3.32 0.00 3.58 3.68 -0.47 -0.76 116.67 127.15 3kqh s ASP 427 Ca 0.02 -0.46 0.30 0.00 2.13 0.00 0.00 52.55 54.54 3kqh s ASP 427 Cb -0.14 -1.11 1.70 0.00 -1.45 0.00 0.00 42.92 41.91 3kqh s ASP 427 CO 0.01 0.22 2.10 0.00 0.13 0.00 0.00 175.17 177.63 3kqh n ASN 429 N -1.11 -4.25 -3.93 0.00 5.03 -1.26 -4.77 115.26 104.97 3kqh n ASN 429 Ca 0.20 -0.33 -0.14 0.00 0.87 0.00 0.00 54.58 55.17 3kqh n ASN 429 Cb 0.15 -3.50 -0.14 0.00 -1.02 0.00 0.00 39.78 35.27 3kqh n ASN 429 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 3kqh s THR 430 N -2.97 0.27 0.21 3.41 -4.23 -1.26 -2.69 115.64 108.38 3kqh s THR 430 Ca 0.36 -0.18 0.10 0.00 -1.18 0.00 0.00 61.69 60.78 3kqh s THR 430 Cb -0.18 -0.24 -0.05 0.00 1.34 0.00 0.00 72.50 73.37 3kqh s THR 430 CO 0.44 0.06 -0.19 0.00 -0.54 0.00 0.00 174.62 174.39 3kqh s VAL 432 N -2.33 5.32 0.13 0.00 1.01 -1.26 -0.82 120.40 122.45 3kqh s VAL 432 Ca 0.22 -0.01 -0.13 0.00 0.00 0.00 0.00 61.98 62.06 3kqh s VAL 432 Cb -0.05 -3.38 0.02 0.00 0.00 0.00 0.00 36.38 32.97 3kqh s VAL 432 CO 0.09 0.50 0.34 0.28 0.00 0.00 0.00 175.10 176.31 3kqh s THR 433 N -1.13 0.08 -0.01 3.92 -1.32 0.14 -4.98 115.64 112.35 3kqh s THR 433 Ca 0.20 -0.86 -0.07 0.00 -1.21 0.00 0.00 61.69 59.75 3kqh s THR 433 Cb -0.12 -1.34 -0.05 0.00 -1.51 0.00 0.00 72.50 69.48 3kqh s THR 433 CO 0.10 -0.38 0.26 -1.10 -2.21 0.00 0.00 174.62 171.29 3kqh s GLN 434 N -3.85 3.58 -0.00 7.08 -1.52 -1.26 -0.24 119.66 123.45 3kqh s GLN 434 Ca 0.06 -0.05 0.02 0.00 -1.95 0.00 0.00 55.36 53.44 3kqh s GLN 434 Cb 0.03 -3.10 -0.01 0.00 -0.22 0.00 0.00 33.01 29.71 3kqh s GLN 434 CO -0.09 0.67 -0.08 0.99 -0.25 0.00 0.00 175.29 176.53 3kqh s THR 435 N -1.25 0.61 -0.14 -0.19 2.01 -0.71 -4.79 115.64 111.18 3kqh s THR 435 Ca 0.26 -0.37 -0.06 0.00 0.31 0.00 0.00 61.69 61.83 3kqh s THR 435 Cb -0.13 -0.52 -0.04 0.00 0.01 0.00 0.00 72.50 71.82 3kqh s THR 435 CO 0.14 0.14 0.07 0.54 -0.69 0.00 0.00 174.62 174.83 3kqh s VAL 436 N -0.24 4.87 -0.06 3.82 0.11 -1.26 -1.43 120.40 126.20 3kqh s VAL 436 Ca 0.02 -0.02 -0.01 0.00 -2.93 0.00 0.00 61.98 59.04 3kqh s VAL 436 Cb -0.03 -3.14 0.03 0.00 -1.53 0.00 0.00 36.38 31.71 3kqh s VAL 436 CO -0.00 0.54 0.01 -0.62 -3.33 0.00 0.00 175.10 171.70 3kqh s ASP 437 N -0.37 1.45 -1.39 3.54 2.15 0.89 -4.96 116.67 117.99 3kqh s ASP 437 Ca 0.09 -0.07 -0.11 0.00 0.43 0.00 0.00 52.55 52.90 3kqh s ASP 437 Cb -0.12 -0.40 0.09 0.00 -0.30 0.00 0.00 42.92 42.19 3kqh s ASP 437 CO 0.02 -0.19 2.16 0.49 -0.17 0.00 0.00 175.17 177.48 3kqh n PHE 438 N 5.06 3.10 0.51 -5.34 3.72 -1.26 0.13 117.46 123.37 3kqh n PHE 438 Ca -0.08 -2.89 0.07 0.00 -0.05 0.00 0.00 57.45 54.49 3kqh n PHE 438 Cb 0.50 -2.23 0.32 0.00 -0.94 0.00 0.00 39.48 37.12 3kqh n PHE 438 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3kqh n SER 439 N 4.56 0.00 -3.84 4.37 3.41 -1.22 -4.92 113.62 115.98 3kqh n SER 439 Ca 0.50 0.50 -0.25 0.00 -0.26 0.00 0.00 58.87 59.37 3kqh n SER 439 Cb 0.35 -0.50 0.01 0.00 -0.26 0.00 0.00 64.21 63.81 3kqh n SER 439 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3kqh n LEU 440 N -1.50 -2.67 -3.18 1.04 4.77 0.65 -4.92 117.00 111.19 3kqh n LEU 440 Ca 0.04 -0.89 -0.18 0.00 -0.03 0.00 0.00 56.01 54.95 3kqh n LEU 440 Cb 0.17 -2.48 -0.03 0.00 -2.33 0.00 0.00 43.42 38.76 3kqh n LEU 440 CO 0.14 0.42 -0.23 -0.90 -1.33 0.00 0.00 177.39 175.49 3kqh n ASP 441 N -2.98 0.87 0.08 -1.43 5.75 -1.26 -4.57 116.55 113.01 3kqh n ASP 441 Ca -0.24 -3.01 0.09 0.00 -0.01 0.00 0.00 54.79 51.63 3kqh n ASP 441 Cb 0.65 -0.62 -0.03 0.00 -1.03 0.00 0.00 41.12 40.09 3kqh n ASP 441 CO 0.00 0.00 0.00 -0.81 -0.11 0.00 0.00 177.20 176.28 3kqh n PRO 442 N 0.27 0.61 0.00 0.11 -0.04 -1.26 -4.94 135.00 129.75 3kqh n PRO 442 Ca 0.25 0.12 0.00 0.00 -0.04 0.00 0.00 63.50 63.83 3kqh n PRO 442 Cb 0.66 -1.80 0.00 0.00 -0.04 0.00 0.00 33.50 32.32 3kqh n PRO 442 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3kqh n THR 443 N -2.69 0.00 -4.30 0.52 -2.24 -1.26 -4.84 114.28 99.46 3kqh n THR 443 Ca -0.02 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.60 3kqh n THR 443 Cb 0.61 -0.02 -0.10 0.00 -2.10 0.00 0.00 70.33 68.72 3kqh n THR 443 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 3kqh s PHE 444 N 0.93 1.45 -0.05 4.78 -0.12 -1.26 -0.25 117.98 123.45 3kqh s PHE 444 Ca 0.00 -0.97 0.03 0.00 -0.05 0.00 0.00 56.93 55.95 3kqh s PHE 444 Cb 0.00 -0.83 0.00 0.00 -0.63 0.00 0.00 43.02 41.56 3kqh s PHE 444 CO 0.00 -0.11 -0.14 0.99 -0.05 0.00 0.00 175.22 175.91 3kqh s THR 445 N -3.51 1.22 -0.18 -4.49 2.01 0.36 -1.22 115.64 109.83 3kqh s THR 445 Ca 0.27 -0.57 -0.01 0.00 0.31 0.00 0.00 61.69 61.69 3kqh s THR 445 Cb 0.06 -1.08 -0.00 0.00 0.01 0.00 0.00 72.50 71.49 3kqh s THR 445 CO 0.07 0.36 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.61 3kqh s ILE 446 N 0.30 2.78 -0.03 1.82 -1.09 0.29 -0.08 121.20 125.19 3kqh s ILE 446 Ca -0.08 -0.72 -0.01 0.00 -2.23 0.00 0.00 60.65 57.61 3kqh s ILE 446 Cb -0.13 -2.20 0.02 0.00 -1.58 0.00 0.00 42.46 38.57 3kqh s ILE 446 CO 0.03 0.49 0.05 -1.83 -1.23 0.00 0.00 174.94 172.46 3kqh s GLU 447 N 1.07 0.02 -0.14 2.79 -1.05 -0.52 -2.87 118.70 118.00 3kqh s GLU 447 Ca -0.00 0.17 -0.29 0.00 -0.15 0.00 0.00 54.97 54.69 3kqh s GLU 447 Cb -0.15 -0.13 -0.01 0.00 -0.44 0.00 0.00 34.13 33.41 3kqh s GLU 447 CO -0.03 -0.10 1.03 0.95 0.95 0.00 0.00 175.26 178.05 3kqh s THR 448 N 0.68 4.73 0.21 1.83 -4.23 -1.26 -1.74 115.64 115.87 3kqh s THR 448 Ca -0.05 2.02 0.01 0.00 -1.18 0.00 0.00 61.69 62.49 3kqh s THR 448 Cb -0.08 -4.30 -0.05 0.00 1.34 0.00 0.00 72.50 69.42 3kqh s THR 448 CO -0.02 -0.05 0.06 0.42 -0.54 0.00 0.00 174.62 174.49 3kqh s THR 449 N 2.35 0.54 0.73 3.99 -4.23 0.67 -4.93 115.64 114.76 3kqh s THR 449 Ca 0.48 -1.99 -0.08 0.00 -1.18 0.00 0.00 61.69 58.92 3kqh s THR 449 Cb -0.18 -2.38 0.06 0.00 1.34 0.00 0.00 72.50 71.35 3kqh s THR 449 CO 0.15 -0.22 1.05 0.42 -0.54 0.00 0.00 174.62 175.48 3kqh s THR 450 N -3.76 2.28 -0.26 3.99 -4.23 -1.26 -0.68 115.64 111.71 3kqh s THR 450 Ca 0.31 -0.18 -0.27 0.00 -1.18 0.00 0.00 61.69 60.38 3kqh s THR 450 Cb 0.07 -3.03 0.16 0.00 1.34 0.00 0.00 72.50 71.04 3kqh s THR 450 CO 0.09 -0.03 1.20 0.54 -0.54 0.00 0.00 174.62 175.88 3kqh s VAL 451 N -3.32 0.00 0.28 2.29 0.11 0.00 -4.85 120.40 114.92 3kqh s VAL 451 Ca 0.60 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 59.35 3kqh s VAL 451 Cb -0.11 -1.00 -0.12 0.00 -1.53 0.00 0.00 36.38 33.62 3kqh s VAL 451 CO 0.46 0.00 1.49 -0.81 -3.33 0.00 0.00 175.10 172.90 3kqh n PRO 452 N 1.39 2.38 -0.55 1.54 -0.04 -1.26 -0.54 135.00 137.92 3kqh n PRO 452 Ca -0.09 0.85 -0.30 0.00 -0.04 0.00 0.00 63.50 63.92 3kqh n PRO 452 Cb 0.57 -2.56 0.22 0.00 -0.04 0.00 0.00 33.50 31.70 3kqh n PRO 452 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kqh n GLN 453 N 1.85 -2.07 -2.60 0.54 10.64 -1.10 -4.72 117.38 119.93 3kqh n GLN 453 Ca 0.09 -0.58 -0.09 0.00 -1.83 0.00 0.00 57.00 54.60 3kqh n GLN 453 Cb 0.35 -2.02 -0.01 0.00 -0.86 0.00 0.00 30.24 27.70 3kqh n GLN 453 CO 0.00 0.00 0.00 -0.40 -1.83 0.00 0.00 177.06 174.83 3kqh n ASP 454 N -3.78 2.18 -0.11 2.61 3.85 -1.26 -3.35 116.55 116.68 3kqh n ASP 454 Ca 0.03 -1.59 -0.06 0.00 -0.71 0.00 0.00 54.79 52.46 3kqh n ASP 454 Cb 0.56 0.07 0.02 0.00 -1.35 0.00 0.00 41.12 40.43 3kqh n ASP 454 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3kqh h ALA 455 N 1.00 0.46 -0.40 2.12 0.00 -1.79 -1.59 119.26 119.06 3kqh h ALA 455 Ca -0.11 0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.86 3kqh h ALA 455 Cb 0.35 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 3kqh h ALA 455 CO 0.18 -0.23 0.20 0.28 0.00 0.00 0.00 179.25 179.68 3kqh h VAL 456 N 0.32 0.98 -0.40 0.00 2.07 -1.89 -1.60 116.25 115.73 3kqh h VAL 456 Ca 0.17 -0.14 -0.04 0.00 0.82 0.00 0.00 66.70 67.51 3kqh h VAL 456 Cb 0.13 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 3kqh h VAL 456 CO -0.16 0.07 0.08 -1.28 0.02 0.00 0.00 177.57 176.31 3kqh h SER 457 N 0.41 0.61 0.02 0.57 0.87 -1.90 -1.49 113.55 112.64 3kqh h SER 457 Ca 0.17 -0.24 -0.01 0.00 -1.23 0.00 0.00 61.79 60.47 3kqh h SER 457 Cb 0.07 -0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 61.86 3kqh h SER 457 CO -0.11 0.70 -0.03 -0.09 -0.53 0.00 0.00 176.83 176.76 3kqh h ARG 458 N 0.50 0.04 -0.01 2.24 2.43 -1.04 0.97 114.38 119.51 3kqh h ARG 458 Ca 0.12 -0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.23 3kqh h ARG 458 Cb 0.33 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 3kqh h ARG 458 CO 0.00 0.08 -0.21 0.77 -1.51 0.00 0.00 179.97 179.11 3kqh h SER 459 N 0.04 0.20 -0.38 -3.80 0.02 -0.90 -2.41 113.55 106.31 3kqh h SER 459 Ca 0.01 -0.75 -0.01 0.00 -0.84 0.00 0.00 61.79 60.20 3kqh h SER 459 Cb 0.08 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.55 3kqh h SER 459 CO 0.00 0.92 0.20 1.56 -1.14 0.00 0.00 176.83 178.38 3kqh h GLN 460 N -0.51 0.54 -0.06 3.45 4.20 -0.83 0.47 115.11 122.36 3kqh h GLN 460 Ca -0.02 -0.07 0.02 0.00 0.06 0.00 0.00 58.65 58.64 3kqh h GLN 460 Cb 0.94 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.60 3kqh h GLN 460 CO 0.04 0.45 -0.07 0.00 -0.67 0.00 0.00 178.83 178.59 3kqh h ARG 461 N 0.49 -0.08 -0.48 1.46 2.47 -0.91 -2.90 114.38 114.43 3kqh h ARG 461 Ca 0.13 0.01 -0.11 0.00 -1.26 0.00 0.00 59.98 58.75 3kqh h ARG 461 Cb 0.08 0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.40 3kqh h ARG 461 CO -0.02 -0.06 -0.12 -0.09 0.56 0.00 0.00 179.97 180.24 3kqh h ARG 462 N -0.09 0.93 0.00 0.04 2.43 -1.23 -3.11 114.38 113.35 3kqh h ARG 462 Ca 0.05 -0.36 0.00 0.00 -0.81 0.00 0.00 59.98 58.86 3kqh h ARG 462 Cb 0.16 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 3kqh h ARG 462 CO -0.12 1.02 0.02 0.41 -1.51 0.00 0.00 179.97 179.79 3kqh n GLY 463 N -0.20 -0.11 0.03 2.80 0.00 0.16 -1.16 105.19 106.72 3kqh n GLY 463 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.16 3kqh n GLY 463 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kqh n ARG 464 N -1.04 0.41 -4.24 1.61 5.12 -1.18 -4.85 116.66 112.49 3kqh n ARG 464 Ca 0.00 -0.07 -0.14 0.00 -1.93 0.00 0.00 57.85 55.72 3kqh n ARG 464 Cb 0.02 -1.50 -0.10 0.00 -1.16 0.00 0.00 32.46 29.72 3kqh n ARG 464 CO 0.00 0.00 0.00 -0.08 -1.93 0.00 0.00 177.63 175.62 3kqh s THR 465 N -2.64 0.37 -0.75 0.55 -1.32 -0.31 -3.83 115.64 107.71 3kqh s THR 465 Ca 0.25 -1.98 -0.00 0.00 -1.21 0.00 0.00 61.69 58.75 3kqh s THR 465 Cb 0.20 -2.38 0.00 0.00 -1.51 0.00 0.00 72.50 68.80 3kqh s THR 465 CO 0.49 -0.19 0.02 0.61 -2.21 0.00 0.00 174.62 173.34 3kqh n GLY 466 N -0.30 0.02 3.46 6.08 0.00 -1.26 -4.90 105.19 108.28 3kqh n GLY 466 Ca -0.02 -0.51 -0.43 0.00 0.00 0.00 0.00 46.02 45.06 3kqh n GLY 466 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kqh s ARG 467 N -4.49 3.17 0.00 1.61 0.52 -1.26 -4.42 118.95 114.09 3kqh s ARG 467 Ca 0.01 -0.75 0.00 0.00 -0.52 0.00 0.00 55.73 54.47 3kqh s ARG 467 Cb -0.00 -4.13 0.00 0.00 0.52 0.00 0.00 34.95 31.33 3kqh s ARG 467 CO 0.01 -1.45 0.00 0.41 0.02 0.00 0.00 175.30 174.29 3kqh n GLY 468 N 5.20 1.26 0.00 -3.53 0.00 -1.26 -4.86 105.19 102.00 3kqh n GLY 468 Ca -0.04 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 3kqh n GLY 468 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3kqh n ARG 469 N 0.00 2.60 -3.03 1.61 1.85 -1.26 -5.09 116.66 113.35 3kqh n ARG 469 Ca 0.00 0.00 -0.39 0.00 -1.00 0.00 0.00 57.85 56.46 3kqh n ARG 469 Cb 0.00 0.00 -0.06 0.00 -1.05 0.00 0.00 32.46 31.35 3kqh n ARG 469 CO 0.00 0.00 0.00 -1.64 -0.01 0.00 0.00 177.63 175.98 3kqh s MET 470 N 0.33 4.49 0.03 2.89 -1.94 -1.26 -4.44 119.30 119.40 3kqh s MET 470 Ca 0.00 1.06 -0.04 0.00 -1.71 0.00 0.00 55.69 55.00 3kqh s MET 470 Cb 0.00 -3.29 -0.01 0.00 2.01 0.00 0.00 34.83 33.54 3kqh s MET 470 CO 0.00 0.50 0.06 0.20 -0.01 0.00 0.00 175.02 175.77 3kqh s GLY 471 N -0.81 0.21 -0.08 -0.03 0.00 -0.93 -4.54 107.32 101.14 3kqh s GLY 471 Ca 0.35 -0.59 0.03 0.00 0.00 0.00 0.00 44.72 44.52 3kqh s GLY 471 CO 0.24 -0.71 -0.18 -0.42 0.00 0.00 0.00 173.10 172.03 3kqh s ILE 472 N -2.41 2.72 -0.25 0.90 1.01 -0.58 -1.46 121.20 121.13 3kqh s ILE 472 Ca -0.07 -0.82 0.02 0.00 0.00 0.00 0.00 60.65 59.78 3kqh s ILE 472 Cb -0.03 -2.07 0.06 0.00 0.01 0.00 0.00 42.46 40.44 3kqh s ILE 472 CO -0.04 0.56 -0.07 -0.47 0.00 0.00 0.00 174.94 174.93 3kqh s TYR 473 N -0.19 2.81 -0.18 3.97 5.04 0.12 0.65 117.35 129.57 3kqh s TYR 473 Ca -0.01 -2.06 -0.07 0.00 -2.44 0.00 0.00 57.07 52.49 3kqh s TYR 473 Cb -0.13 -1.80 -0.04 0.00 0.35 0.00 0.00 41.96 40.34 3kqh s TYR 473 CO 0.03 -0.83 0.06 1.03 -1.34 0.00 0.00 175.55 174.51 3kqh s ARG 474 N 1.25 3.92 0.48 4.97 0.52 0.37 -1.60 118.95 128.86 3kqh s ARG 474 Ca -0.06 -0.33 0.02 0.00 -0.52 0.00 0.00 55.73 54.84 3kqh s ARG 474 Cb -0.19 -3.20 -0.02 0.00 0.52 0.00 0.00 34.95 32.05 3kqh s ARG 474 CO -0.06 0.32 0.03 -0.59 0.02 0.00 0.00 175.30 175.02 3kqh s PHE 475 N 0.24 1.92 -0.05 -0.53 -0.71 -1.22 -1.37 117.98 116.26 3kqh s PHE 475 Ca 0.04 -0.99 0.10 0.00 -1.04 0.00 0.00 56.93 55.04 3kqh s PHE 475 Cb -0.12 -1.54 -0.14 0.00 -1.21 0.00 0.00 43.02 40.01 3kqh s PHE 475 CO 0.00 0.15 0.15 0.28 -1.34 0.00 0.00 175.22 174.46 3kqh n VAL 476 N -1.16 0.26 -3.82 -2.49 0.31 -1.21 -1.71 118.33 108.51 3kqh n VAL 476 Ca -0.15 -0.30 -0.13 0.00 -0.01 0.00 0.00 64.34 63.75 3kqh n VAL 476 Cb 0.67 -0.13 -0.14 0.00 -0.91 0.00 0.00 33.84 33.33 3kqh n VAL 476 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3kqh s THR 477 N -2.52 -0.01 -0.14 2.52 2.01 -1.26 -4.95 115.64 111.29 3kqh s THR 477 Ca -0.04 0.05 -0.29 0.00 0.31 0.00 0.00 61.69 61.72 3kqh s THR 477 Cb 0.05 -0.14 -0.26 0.00 0.01 0.00 0.00 72.50 72.17 3kqh s THR 477 CO 0.41 0.02 0.75 1.55 -0.69 0.00 0.00 174.62 176.66 3kqh h PRO 478 N 6.33 0.00 -6.79 4.92 0.13 -2.00 -3.48 132.00 131.11 3kqh h PRO 478 Ca -0.29 -0.00 -0.41 0.00 -0.87 0.00 0.00 66.00 64.43 3kqh h PRO 478 Cb 1.19 0.00 0.22 0.00 0.13 0.00 0.00 31.00 32.53 3kqh h PRO 478 CO 0.45 1.00 -0.50 0.41 -0.23 0.00 0.00 178.00 179.13 3kqh n GLY 479 N 1.60 -2.60 3.59 1.56 0.00 -1.26 -5.06 105.19 103.02 3kqh n GLY 479 Ca -0.11 -1.08 -0.01 0.00 0.00 0.00 0.00 46.02 44.82 3kqh n GLY 479 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3kqh s GLU 480 N -4.01 0.33 -0.05 1.61 -1.05 -1.26 -4.99 118.70 109.28 3kqh s GLU 480 Ca 0.60 0.62 -0.30 0.00 -0.15 0.00 0.00 54.97 55.74 3kqh s GLU 480 Cb -0.16 0.15 -0.04 0.00 -0.44 0.00 0.00 34.13 33.64 3kqh s GLU 480 CO 0.61 -0.08 1.23 -0.98 0.95 0.00 0.00 175.26 176.99 3kqh s ARG 481 N 1.56 4.34 0.56 -4.83 1.70 -1.21 -4.75 118.95 116.31 3kqh s ARG 481 Ca -0.07 1.72 -0.18 0.00 -0.47 0.00 0.00 55.73 56.72 3kqh s ARG 481 Cb -0.04 -3.56 -0.08 0.00 -0.57 0.00 0.00 34.95 30.69 3kqh s ARG 481 CO -0.15 -0.47 0.59 -2.30 -1.08 0.00 0.00 175.30 171.88 3kqh n PRO 482 N 5.26 0.57 -0.87 3.89 -0.02 -1.26 -2.81 135.00 139.76 3kqh n PRO 482 Ca 0.11 0.22 -0.12 0.00 -2.02 0.00 0.00 63.50 61.70 3kqh n PRO 482 Cb 0.46 -1.75 0.08 0.00 -0.02 0.00 0.00 33.50 32.27 3kqh n PRO 482 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3kqh n SER 483 N 0.38 0.10 0.00 2.55 3.41 -1.26 -4.71 113.62 114.09 3kqh n SER 483 Ca 0.12 -1.23 0.00 0.00 -0.26 0.00 0.00 58.87 57.49 3kqh n SER 483 Cb 0.47 -0.41 0.00 0.00 -0.26 0.00 0.00 64.21 64.01 3kqh n SER 483 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kqh n GLY 484 N 1.41 0.88 2.97 5.00 0.00 -1.26 -2.02 105.19 112.16 3kqh n GLY 484 Ca 0.07 -0.35 -0.11 0.00 0.00 0.00 0.00 46.02 45.63 3kqh n GLY 484 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3kqh s MET 485 N -0.81 0.22 0.00 1.61 -1.94 -1.26 -0.78 119.30 116.34 3kqh s MET 485 Ca 0.00 -0.29 -0.19 0.00 -1.71 0.00 0.00 55.69 53.50 3kqh s MET 485 Cb 0.00 0.08 0.04 0.00 2.01 0.00 0.00 34.83 36.96 3kqh s MET 485 CO 0.00 -0.04 0.42 -0.59 -0.01 0.00 0.00 175.02 174.80 3kqh s PHE 486 N -0.79 -0.30 0.71 -0.03 -0.12 -0.87 -4.92 117.98 111.66 3kqh s PHE 486 Ca -0.09 0.41 -0.13 0.00 -0.05 0.00 0.00 56.93 57.07 3kqh s PHE 486 Cb -0.05 0.20 0.03 0.00 -0.63 0.00 0.00 43.02 42.56 3kqh s PHE 486 CO -0.00 -0.50 1.11 0.34 -0.05 0.00 0.00 175.22 176.12 3kqh s ASP 487 N -1.57 4.76 0.55 1.98 2.15 -1.26 -4.48 116.67 118.81 3kqh s ASP 487 Ca -0.10 1.96 0.31 0.00 0.43 0.00 0.00 52.55 55.16 3kqh s ASP 487 Cb -0.03 -2.54 1.59 0.00 -0.30 0.00 0.00 42.92 41.65 3kqh s ASP 487 CO 0.03 -1.86 2.10 -1.28 -0.17 0.00 0.00 175.17 173.99 3kqh h SER 488 N -0.47 0.00 0.51 -0.34 0.87 -1.92 -2.09 113.55 110.10 3kqh h SER 488 Ca -0.45 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.11 3kqh h SER 488 Cb 1.24 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.20 3kqh h SER 488 CO 0.52 0.08 0.00 0.77 -0.53 0.00 0.00 176.83 177.67 3kqh h SER 489 N 0.00 0.00 -0.36 6.23 4.64 -1.92 -0.77 113.55 121.37 3kqh h SER 489 Ca -0.00 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.15 3kqh h SER 489 Cb 0.32 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.40 3kqh h SER 489 CO 0.01 0.00 -0.42 0.58 -0.87 0.00 0.00 176.83 176.13 3kqh h VAL 490 N 0.00 1.27 -0.68 0.95 2.07 -1.72 -1.17 116.25 116.97 3kqh h VAL 490 Ca 0.00 -1.60 0.04 0.00 0.82 0.00 0.00 66.70 65.96 3kqh h VAL 490 Cb 0.25 1.43 -0.05 0.00 -1.52 0.00 0.00 31.29 31.41 3kqh h VAL 490 CO 0.00 0.53 0.41 -0.07 0.02 0.00 0.00 177.57 178.46 3kqh h LEU 491 N 0.75 0.64 -1.27 2.57 3.38 -1.30 -0.86 115.31 119.22 3kqh h LEU 491 Ca 0.05 0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.09 3kqh h LEU 491 Cb 1.02 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.60 3kqh h LEU 491 CO 0.10 0.43 0.52 0.00 0.09 0.00 0.00 178.44 179.59 3kqh h GLU 493 N 0.90 0.19 0.16 0.00 5.08 0.02 -0.75 114.58 120.18 3kqh h GLU 493 Ca 0.34 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.61 3kqh h GLU 493 Cb 0.18 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.42 3kqh h GLU 493 CO -0.11 0.51 -0.08 0.00 -1.00 0.00 0.00 179.01 178.33 3kqh h TYR 495 N -0.56 0.83 -0.52 0.00 0.05 -1.37 0.20 116.97 115.60 3kqh h TYR 495 Ca -0.02 0.03 0.05 0.00 0.05 0.00 0.00 58.73 58.83 3kqh h TYR 495 Cb 0.42 -0.26 -0.05 0.00 1.01 0.00 0.00 36.73 37.86 3kqh h TYR 495 CO 0.03 0.41 0.26 0.22 -1.05 0.00 0.00 178.16 178.03 3kqh h ASP 496 N 0.82 0.37 -0.23 3.88 1.82 -0.91 -2.18 116.42 119.98 3kqh h ASP 496 Ca 0.33 0.03 -0.05 0.00 -0.39 0.00 0.00 57.03 56.95 3kqh h ASP 496 Cb 0.17 -0.04 -0.01 0.00 0.68 0.00 0.00 39.33 40.14 3kqh h ASP 496 CO -0.17 0.25 -0.05 0.00 -1.61 0.00 0.00 179.24 177.66 3kqh h ALA 497 N 1.29 0.32 -0.24 -0.78 0.00 0.03 -1.06 119.26 118.81 3kqh h ALA 497 Ca 0.23 -0.25 0.04 0.00 0.00 0.00 0.00 54.91 54.93 3kqh h ALA 497 Cb 0.15 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3kqh h ALA 497 CO -0.17 0.10 0.16 0.78 0.00 0.00 0.00 179.25 180.13 3kqh h GLY 498 N 0.18 0.18 1.29 0.00 0.00 -0.42 0.77 103.07 105.06 3kqh h GLY 498 Ca 0.06 -0.06 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 3kqh h GLY 498 CO 0.02 0.05 -0.82 0.00 0.00 0.00 0.00 176.54 175.80 3kqh n ALA 500 N -2.20 1.52 -0.03 0.00 0.00 -0.42 -4.68 120.51 114.69 3kqh n ALA 500 Ca -0.01 -1.18 -0.04 0.00 0.00 0.00 0.00 53.44 52.22 3kqh n ALA 500 Cb 0.61 -0.12 -0.03 0.00 0.00 0.00 0.00 19.45 19.91 3kqh n ALA 500 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 3kqh n TRP 501 N -2.87 0.00 -0.47 0.00 7.02 0.25 -4.81 117.44 116.56 3kqh n TRP 501 Ca -0.35 0.00 0.09 0.00 -1.02 0.00 0.00 57.50 56.22 3kqh n TRP 501 Cb 1.06 -0.22 0.29 0.00 -2.42 0.00 0.00 31.31 30.02 3kqh n TRP 501 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 3kqh n TYR 502 N -2.64 1.03 -4.10 -5.99 4.01 -1.06 -4.94 117.16 103.47 3kqh n TYR 502 Ca -0.10 -0.58 -0.29 0.00 -0.16 0.00 0.00 57.90 56.77 3kqh n TYR 502 Cb 0.61 -0.13 -0.04 0.00 -0.31 0.00 0.00 39.34 39.48 3kqh n TYR 502 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 3kqh n GLU 503 N 0.96 -2.79 -4.20 -0.72 1.02 -0.68 -4.95 120.64 109.29 3kqh n GLU 503 Ca 0.21 0.33 -0.34 0.00 -0.02 0.00 0.00 57.16 57.35 3kqh n GLU 503 Cb 0.70 -4.50 -0.11 0.00 -0.02 0.00 0.00 31.44 27.51 3kqh n GLU 503 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3kqh s LEU 504 N -7.12 3.56 0.58 -4.62 1.43 0.51 -4.99 118.68 108.02 3kqh s LEU 504 Ca 0.20 -0.01 -0.18 0.00 -1.03 0.00 0.00 54.13 53.11 3kqh s LEU 504 Cb -0.11 -1.88 -0.04 0.00 0.03 0.00 0.00 46.19 44.19 3kqh s LEU 504 CO 0.92 0.19 1.11 0.42 0.23 0.00 0.00 176.35 179.22 3kqh s THR 505 N 0.29 3.29 0.46 5.49 -4.23 -1.26 -3.84 115.64 115.84 3kqh s THR 505 Ca 0.00 0.72 0.22 0.00 -1.18 0.00 0.00 61.69 61.45 3kqh s THR 505 Cb -0.13 -3.25 0.40 0.00 1.34 0.00 0.00 72.50 70.86 3kqh s THR 505 CO 0.01 -0.26 1.88 -0.65 -0.54 0.00 0.00 174.62 175.07 3kqh h PRO 506 N 0.79 0.26 -0.37 3.99 0.11 -1.91 -0.53 132.00 134.34 3kqh h PRO 506 Ca -0.49 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.57 3kqh h PRO 506 Cb 1.25 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 3kqh h PRO 506 CO 0.56 0.17 0.10 0.00 -0.21 0.00 0.00 178.00 178.62 3kqh h ALA 507 N 1.61 0.48 -0.15 -0.75 0.00 -1.89 -0.67 119.26 117.89 3kqh h ALA 507 Ca 0.43 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 3kqh h ALA 507 Cb 1.26 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 3kqh h ALA 507 CO -0.11 0.15 0.08 0.93 0.00 0.00 0.00 179.25 180.29 3kqh h GLU 508 N 0.44 0.22 -0.92 0.00 5.08 -1.49 -2.37 114.58 115.55 3kqh h GLU 508 Ca 0.12 -0.03 0.11 0.00 -1.00 0.00 0.00 59.36 58.56 3kqh h GLU 508 Cb 0.29 -0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.43 3kqh h GLU 508 CO -0.00 0.26 0.59 1.15 -1.00 0.00 0.00 179.01 180.01 3kqh h THR 509 N 0.13 0.93 -0.67 1.13 2.02 -1.13 -1.65 112.91 113.67 3kqh h THR 509 Ca 0.05 -0.30 -0.06 0.00 0.77 0.00 0.00 66.41 66.88 3kqh h THR 509 Cb 0.11 -0.02 -0.03 0.00 -1.74 0.00 0.00 68.15 66.47 3kqh h THR 509 CO -0.01 0.16 0.19 0.28 0.37 0.00 0.00 175.52 176.51 3kqh h SER 510 N 0.87 0.99 -0.48 4.18 0.02 -0.63 -0.91 113.55 117.58 3kqh h SER 510 Ca 0.44 -0.22 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 3kqh h SER 510 Cb 0.49 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.74 3kqh h SER 510 CO -0.20 0.95 0.31 0.58 -1.14 0.00 0.00 176.83 177.33 3kqh h VAL 511 N 0.98 1.14 -0.17 2.27 2.07 -0.83 0.14 116.25 121.86 3kqh h VAL 511 Ca 0.21 -0.28 -0.04 0.00 0.82 0.00 0.00 66.70 67.42 3kqh h VAL 511 Cb 0.32 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 3kqh h VAL 511 CO -0.00 0.13 -0.04 0.03 0.02 0.00 0.00 177.57 177.71 3kqh h ARG 512 N 0.65 0.32 -0.43 1.57 3.08 -1.24 -2.40 114.38 115.93 3kqh h ARG 512 Ca 0.18 -0.12 -0.06 0.00 0.07 0.00 0.00 59.98 60.04 3kqh h ARG 512 Cb -0.05 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 3kqh h ARG 512 CO -0.04 0.59 0.01 -0.07 -1.07 0.00 0.00 179.97 179.39 3kqh h LEU 513 N 0.03 0.65 -0.61 3.04 3.38 -1.05 -2.56 115.31 118.18 3kqh h LEU 513 Ca 0.04 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 3kqh h LEU 513 Cb 0.47 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 3kqh h LEU 513 CO 0.02 0.71 0.37 -0.09 0.09 0.00 0.00 178.44 179.54 3kqh h ARG 514 N 0.65 0.83 -0.67 1.13 9.65 -0.57 -0.68 114.38 124.71 3kqh h ARG 514 Ca 0.13 -0.07 0.03 0.00 -1.10 0.00 0.00 59.98 58.97 3kqh h ARG 514 Cb 0.39 -0.17 -0.04 0.00 -1.39 0.00 0.00 29.97 28.76 3kqh h ARG 514 CO 0.01 0.59 0.44 0.00 2.80 0.00 0.00 179.97 183.82 3kqh h ALA 515 N 1.19 1.60 -0.36 2.80 0.00 -1.05 0.17 119.26 123.62 3kqh h ALA 515 Ca 0.22 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.99 3kqh h ALA 515 Cb -0.03 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3kqh h ALA 515 CO -0.04 0.33 -0.19 -0.92 0.00 0.00 0.00 179.25 178.43 3kqh h TYR 516 N 0.83 0.90 0.00 0.00 5.03 -0.90 -2.82 116.97 120.01 3kqh h TYR 516 Ca 0.26 -0.23 -0.07 0.00 2.58 0.00 0.00 58.73 61.27 3kqh h TYR 516 Cb 0.04 -0.20 -0.01 0.00 1.55 0.00 0.00 36.73 38.10 3kqh h TYR 516 CO -0.00 0.97 -0.35 -0.07 -1.32 0.00 0.00 178.16 177.39 3kqh h LEU 517 N 0.56 0.00 -0.05 2.82 4.07 -0.55 -2.98 115.31 119.19 3kqh h LEU 517 Ca 0.08 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.04 3kqh h LEU 517 Cb 0.74 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.48 3kqh h LEU 517 CO 0.06 0.35 0.00 0.59 -1.08 0.00 0.00 178.44 178.36 3kqh n ASN 518 N -3.36 0.65 -4.62 -0.43 5.03 0.56 -4.74 115.26 108.34 3kqh n ASN 518 Ca 0.01 0.57 -0.41 0.00 0.87 0.00 0.00 54.58 55.62 3kqh n ASN 518 Cb 0.56 -0.74 -0.06 0.00 -1.02 0.00 0.00 39.78 38.51 3kqh n ASN 518 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 3kqh s THR 519 N -3.10 4.98 0.60 3.41 2.01 -1.07 -5.05 115.64 117.42 3kqh s THR 519 Ca 0.11 1.07 -0.16 0.00 0.31 0.00 0.00 61.69 63.01 3kqh s THR 519 Cb 0.13 -3.94 -0.03 0.00 0.01 0.00 0.00 72.50 68.67 3kqh s THR 519 CO 0.57 0.00 1.08 -2.84 -0.69 0.00 0.00 174.62 172.73 3kqh s PRO 520 N 2.51 3.19 0.00 4.92 0.02 -1.26 -3.82 135.00 140.57 3kqh s PRO 520 Ca 0.26 1.30 0.00 0.00 0.02 0.00 0.00 61.00 62.58 3kqh s PRO 520 Cb -0.15 -2.01 0.00 0.00 0.02 0.00 0.00 34.50 32.36 3kqh s PRO 520 CO 0.09 -0.92 0.00 0.41 -0.33 0.00 0.00 177.00 176.25 3kqh n GLY 521 N -0.71 0.76 3.94 0.52 0.00 -1.26 -5.06 105.19 103.38 3kqh n GLY 521 Ca 0.09 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.91 3kqh n GLY 521 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kqh s LEU 522 N 0.00 3.95 0.30 0.99 1.43 -1.25 -4.42 118.68 119.68 3kqh s LEU 522 Ca 0.00 -0.21 -0.29 0.00 -1.03 0.00 0.00 54.13 52.60 3kqh s LEU 522 Cb 0.00 -2.61 -0.13 0.00 0.03 0.00 0.00 46.19 43.48 3kqh s LEU 522 CO 0.00 -0.30 1.35 -2.65 0.23 0.00 0.00 176.35 174.99 3kqh n PRO 523 N -1.48 2.13 -3.82 1.29 -0.02 -1.26 -4.93 135.00 126.90 3kqh n PRO 523 Ca -0.03 0.75 -0.22 0.00 -2.02 0.00 0.00 63.50 61.98 3kqh n PRO 523 Cb 0.58 -2.37 -0.05 0.00 -0.02 0.00 0.00 33.50 31.64 3kqh n PRO 523 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3kqh s VAL 524 N -0.63 2.64 -0.01 -1.45 -7.23 0.04 -4.91 120.40 108.86 3kqh s VAL 524 Ca 0.61 -1.49 -0.29 0.00 -1.81 0.00 0.00 61.98 58.99 3kqh s VAL 524 Cb -0.59 -3.01 0.10 0.00 0.56 0.00 0.00 36.38 33.44 3kqh s VAL 524 CO 0.57 -0.03 1.02 0.00 -0.31 0.00 0.00 175.10 176.34 3kqh n GLN 526 N -0.29 1.49 -2.86 0.00 6.02 -1.26 -4.88 117.38 115.59 3kqh n GLN 526 Ca -0.06 0.53 -0.43 0.00 -0.01 0.00 0.00 57.00 57.02 3kqh n GLN 526 Cb 0.61 -2.08 -0.02 0.00 1.02 0.00 0.00 30.24 29.77 3kqh n GLN 526 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3kqh s ASP 527 N -0.65 6.68 -0.26 1.08 2.15 -1.26 -4.78 116.67 119.63 3kqh s ASP 527 Ca 0.62 -2.10 0.11 0.00 0.43 0.00 0.00 52.55 51.60 3kqh s ASP 527 Cb -0.57 -2.43 0.50 0.00 -0.30 0.00 0.00 42.92 40.12 3kqh s ASP 527 CO 0.58 -1.09 1.44 1.41 -0.17 0.00 0.00 175.17 177.34 3kqh n HIS 528 N 6.86 1.01 -0.02 -5.34 8.25 -1.26 -4.77 115.22 119.95 3kqh n HIS 528 Ca 0.28 -1.43 -0.10 0.00 -0.26 0.00 0.00 57.72 56.22 3kqh n HIS 528 Cb 0.48 -0.44 -0.04 0.00 1.12 0.00 0.00 29.99 31.11 3kqh n HIS 528 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3kqh h LEU 529 N 1.12 0.02 -0.68 2.41 3.38 -1.99 -1.27 115.31 118.29 3kqh h LEU 529 Ca 0.17 0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.20 3kqh h LEU 529 Cb 1.59 0.03 -0.05 0.00 0.09 0.00 0.00 40.66 42.32 3kqh h LEU 529 CO 0.34 0.03 0.41 -0.08 0.09 0.00 0.00 178.44 179.23 3kqh h GLU 530 N 0.10 0.76 0.86 1.13 4.81 -1.99 0.16 114.58 120.40 3kqh h GLU 530 Ca 0.07 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.21 3kqh h GLU 530 Cb 0.06 -0.17 0.01 0.00 0.63 0.00 0.00 28.75 29.27 3kqh h GLU 530 CO -0.09 0.50 -0.41 0.35 -0.73 0.00 0.00 179.01 178.63 3kqh h PHE 531 N 0.78 -1.07 -0.96 0.92 3.57 -1.87 -0.96 116.94 117.36 3kqh h PHE 531 Ca 0.29 -0.03 0.10 0.00 3.53 0.00 0.00 57.97 61.86 3kqh h PHE 531 Cb 0.10 0.35 -0.07 0.00 2.79 0.00 0.00 35.95 39.12 3kqh h PHE 531 CO -0.06 -0.66 0.61 -1.49 -2.23 0.00 0.00 178.31 174.48 3kqh h TRP 532 N -1.28 1.08 -0.49 0.41 -0.00 -1.12 -0.09 115.95 114.45 3kqh h TRP 532 Ca -0.12 0.03 -0.05 0.00 -0.00 0.00 0.00 58.89 58.75 3kqh h TRP 532 Cb 0.89 -0.35 -0.02 0.00 -0.00 0.00 0.00 29.16 29.68 3kqh h TRP 532 CO -0.00 0.49 0.10 1.49 -0.00 0.00 0.00 178.44 180.52 3kqh h GLU 533 N 1.00 0.75 -0.57 0.49 4.81 -0.61 -2.36 114.58 118.08 3kqh h GLU 533 Ca 0.44 -0.15 -0.10 0.00 -0.13 0.00 0.00 59.36 59.42 3kqh h GLU 533 Cb 0.37 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.62 3kqh h GLU 533 CO -0.20 0.69 -0.04 0.77 -0.73 0.00 0.00 179.01 179.50 3kqh h SER 534 N 0.72 1.03 0.67 1.04 0.02 0.37 -1.65 113.55 115.76 3kqh h SER 534 Ca 0.16 -0.32 -0.03 0.00 -0.84 0.00 0.00 61.79 60.75 3kqh h SER 534 Cb 0.29 -0.28 0.01 0.00 0.14 0.00 0.00 62.40 62.56 3kqh h SER 534 CO 0.00 1.11 -0.32 0.58 -1.14 0.00 0.00 176.83 177.06 3kqh h VAL 535 N 0.93 0.32 0.00 2.27 2.07 -0.95 -3.07 116.25 117.82 3kqh h VAL 535 Ca 0.16 -0.08 -0.04 0.00 0.82 0.00 0.00 66.70 67.57 3kqh h VAL 535 Cb 0.60 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 3kqh h VAL 535 CO 0.04 0.01 -0.17 -0.26 0.02 0.00 0.00 177.57 177.21 3kqh h PHE 536 N -0.96 0.00 -0.02 1.57 -1.00 -1.44 -2.74 116.94 112.35 3kqh h PHE 536 Ca -0.09 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.65 3kqh h PHE 536 Cb 0.71 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.26 3kqh h PHE 536 CO -0.02 0.17 -0.16 1.15 -1.61 0.00 0.00 178.31 177.84 3kqh h THR 537 N 0.00 1.13 -0.00 -1.55 2.02 -1.20 -2.40 112.91 110.91 3kqh h THR 537 Ca -0.00 -0.60 0.00 0.00 0.77 0.00 0.00 66.41 66.58 3kqh h THR 537 Cb 0.42 1.29 0.00 0.00 -1.74 0.00 0.00 68.15 68.12 3kqh h THR 537 CO 0.02 0.17 -0.29 0.61 0.37 0.00 0.00 175.52 176.40 3kqh n GLY 538 N -1.04 -1.02 2.81 2.16 0.00 -1.03 -4.52 105.19 102.54 3kqh n GLY 538 Ca -0.02 -0.32 -0.42 0.00 0.00 0.00 0.00 46.02 45.25 3kqh n GLY 538 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kqh n LEU 539 N -1.13 6.82 -4.97 0.99 4.77 -0.90 -4.97 117.00 117.60 3kqh n LEU 539 Ca 0.09 -4.57 -0.21 0.00 -0.03 0.00 0.00 56.01 51.29 3kqh n LEU 539 Cb 0.33 -1.50 -0.01 0.00 -2.33 0.00 0.00 43.42 39.91 3kqh n LEU 539 CO 0.29 1.39 0.09 0.42 -1.33 0.00 0.00 177.39 178.25 3kqh s THR 540 N 0.77 4.44 -1.22 -5.08 -4.23 -1.26 -4.60 115.64 104.46 3kqh s THR 540 Ca 0.42 -0.85 -0.02 0.00 -1.18 0.00 0.00 61.69 60.06 3kqh s THR 540 Cb 0.11 -3.57 -0.01 0.00 1.34 0.00 0.00 72.50 70.37 3kqh s THR 540 CO -0.02 -0.27 0.86 1.41 -0.54 0.00 0.00 174.62 176.06 3kqh n HIS 541 N -1.68 -2.10 -1.45 3.99 8.25 -1.26 -4.98 115.22 115.99 3kqh n HIS 541 Ca -0.02 0.86 -0.30 0.00 -0.26 0.00 0.00 57.72 57.99 3kqh n HIS 541 Cb 0.58 -4.58 0.09 0.00 1.12 0.00 0.00 29.99 27.20 3kqh n HIS 541 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 3kqh s ILE 542 N -3.49 3.23 -0.47 1.59 2.07 -1.26 -4.96 121.20 117.91 3kqh s ILE 542 Ca 0.09 0.40 -0.27 0.00 -1.41 0.00 0.00 60.65 59.47 3kqh s ILE 542 Cb -0.02 -3.06 0.03 0.00 0.13 0.00 0.00 42.46 39.54 3kqh s ILE 542 CO 0.77 -0.52 1.00 -0.62 -1.91 0.00 0.00 174.94 173.66 3kqh s ASP 543 N -3.72 6.55 0.24 4.50 3.68 -1.26 -4.92 116.67 121.74 3kqh s ASP 543 Ca 0.61 0.24 -0.05 0.00 2.13 0.00 0.00 52.55 55.48 3kqh s ASP 543 Cb -0.15 -2.49 0.43 0.00 -1.45 0.00 0.00 42.92 39.26 3kqh s ASP 543 CO 0.55 -1.13 1.73 0.00 0.13 0.00 0.00 175.17 176.45 3kqh h ALA 544 N 9.14 1.01 0.42 3.66 0.00 -1.97 -0.94 119.26 130.58 3kqh h ALA 544 Ca -0.24 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 3kqh h ALA 544 Cb 1.07 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 3kqh h ALA 544 CO 1.06 -0.22 -0.41 1.25 0.00 0.00 0.00 179.25 180.94 3kqh h HIS 545 N 0.42 -1.10 -0.98 0.00 6.17 -2.00 -1.03 115.15 116.62 3kqh h HIS 545 Ca 0.40 0.01 0.10 0.00 0.71 0.00 0.00 60.37 61.58 3kqh h HIS 545 Cb 0.60 0.43 -0.07 0.00 2.52 0.00 0.00 27.41 30.88 3kqh h HIS 545 CO -0.18 -0.56 0.63 0.74 0.71 0.00 0.00 177.93 179.27 3kqh h PHE 546 N -0.84 1.12 -0.21 5.26 0.05 -1.80 -1.66 116.94 118.86 3kqh h PHE 546 Ca -0.04 0.03 0.02 0.00 3.82 0.00 0.00 57.97 61.80 3kqh h PHE 546 Cb 0.74 -0.36 -0.02 0.00 2.00 0.00 0.00 35.95 38.31 3kqh h PHE 546 CO -0.21 0.51 0.08 1.25 -0.18 0.00 0.00 178.31 179.77 3kqh h LEU 547 N 1.04 0.11 -0.73 1.54 6.46 -0.69 -1.22 115.31 121.82 3kqh h LEU 547 Ca 0.46 0.02 0.06 0.00 -0.12 0.00 0.00 57.88 58.29 3kqh h LEU 547 Cb 0.36 -0.00 -0.06 0.00 -0.73 0.00 0.00 40.66 40.23 3kqh h LEU 547 CO -0.21 0.09 0.43 -1.28 -0.62 0.00 0.00 178.44 176.85 3kqh h SER 548 N 0.19 0.66 -0.07 1.25 0.87 -0.32 0.28 113.55 116.41 3kqh h SER 548 Ca 0.09 0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.67 3kqh h SER 548 Cb 0.04 -0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 61.89 3kqh h SER 548 CO -0.08 0.43 0.04 1.56 -0.53 0.00 0.00 176.83 178.24 3kqh h GLN 549 N 0.79 0.10 -0.07 2.24 4.20 -0.92 -2.28 115.11 119.17 3kqh h GLN 549 Ca 0.32 -0.01 -0.08 0.00 0.06 0.00 0.00 58.65 58.93 3kqh h GLN 549 Cb 0.16 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 3kqh h GLN 549 CO -0.17 0.18 -0.33 1.79 -0.67 0.00 0.00 178.83 179.63 3kqh h THR 550 N 0.01 1.26 0.00 -0.54 1.35 -0.84 -2.28 112.91 111.86 3kqh h THR 550 Ca 0.03 -1.24 -0.07 0.00 -0.55 0.00 0.00 66.41 64.57 3kqh h THR 550 Cb 0.10 1.57 -0.01 0.00 -1.73 0.00 0.00 68.15 68.09 3kqh h THR 550 CO -0.00 0.37 -0.33 0.11 -0.25 0.00 0.00 175.52 175.41 3kqh h LYS 551 N 0.12 0.00 0.16 4.72 1.57 -0.74 -3.12 116.57 119.28 3kqh h LYS 551 Ca 0.02 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.49 3kqh h LYS 551 Cb 0.64 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.98 3kqh h LYS 551 CO 0.05 0.33 -1.31 1.96 -0.57 0.00 0.00 179.45 179.91 3kqh h GLN 552 N 0.00 0.55 0.00 3.15 4.20 -0.86 -3.17 115.11 118.99 3kqh h GLN 552 Ca -0.00 -0.81 0.00 0.00 0.06 0.00 0.00 58.65 57.89 3kqh h GLN 552 Cb 0.76 0.28 0.00 0.00 0.30 0.00 0.00 27.48 28.82 3kqh h GLN 552 CO 0.04 1.37 0.00 0.00 -0.67 0.00 0.00 178.83 179.58 3kqh n ALA 553 N -2.67 1.17 -1.55 3.87 0.00 -0.97 -4.85 120.51 115.51 3kqh n ALA 553 Ca -0.14 0.09 -0.19 0.00 0.00 0.00 0.00 53.44 53.21 3kqh n ALA 553 Cb 1.02 -1.21 -0.08 0.00 0.00 0.00 0.00 19.45 19.19 3kqh n ALA 553 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kqh n GLY 554 N -1.07 1.82 3.35 0.00 0.00 -1.20 -4.99 105.19 103.11 3kqh n GLY 554 Ca -0.00 -0.08 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 3kqh n GLY 554 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kqh s ASP 555 N -2.77 -0.79 -0.01 1.61 1.01 -1.26 -4.99 116.67 109.46 3kqh s ASP 555 Ca 0.00 0.76 -0.22 0.00 0.71 0.00 0.00 52.55 53.79 3kqh s ASP 555 Cb 0.00 -1.05 -0.14 0.00 1.01 0.00 0.00 42.92 42.74 3kqh s ASP 555 CO 0.00 -5.19 1.00 0.78 0.21 0.00 0.00 175.17 171.98 3kqh h ASN 556 N -3.30 -0.42 -2.95 0.27 2.35 -1.94 -3.39 115.58 106.20 3kqh h ASN 556 Ca -0.42 -0.14 -0.65 0.00 -0.55 0.00 0.00 56.30 54.54 3kqh h ASN 556 Cb 1.33 0.11 -0.39 0.00 0.05 0.00 0.00 38.32 39.41 3kqh h ASN 556 CO 0.27 0.00 -0.36 0.49 -1.65 0.00 0.00 177.43 176.19 3kqh n PHE 557 N -5.14 3.59 -0.34 1.19 3.01 -1.26 -4.92 117.46 113.60 3kqh n PHE 557 Ca -0.09 -4.14 0.02 0.00 1.01 0.00 0.00 57.45 54.26 3kqh n PHE 557 Cb 0.27 -0.80 0.17 0.00 -0.01 0.00 0.00 39.48 39.11 3kqh n PHE 557 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 3kqh h PRO 558 N 5.29 1.00 -0.08 -1.08 0.13 -1.86 -0.54 132.00 134.86 3kqh h PRO 558 Ca 0.17 -0.06 -0.02 0.00 -0.87 0.00 0.00 66.00 65.22 3kqh h PRO 558 Cb 0.74 -0.22 -0.00 0.00 0.13 0.00 0.00 31.00 31.64 3kqh h PRO 558 CO 0.82 0.66 -0.02 -0.92 -0.23 0.00 0.00 178.00 178.30 3kqh h TYR 559 N 1.03 0.18 -0.46 1.56 3.20 -1.92 -0.76 116.97 119.81 3kqh h TYR 559 Ca 0.41 -0.04 -0.02 0.00 3.14 0.00 0.00 58.73 62.22 3kqh h TYR 559 Cb 0.23 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.44 3kqh h TYR 559 CO -0.02 0.50 0.22 -0.07 -1.64 0.00 0.00 178.16 177.14 3kqh h LEU 560 N -0.18 0.61 -0.05 2.82 3.38 -1.87 0.10 115.31 120.12 3kqh h LEU 560 Ca 0.02 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 3kqh h LEU 560 Cb 0.44 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 3kqh h LEU 560 CO 0.01 0.57 0.03 0.58 0.09 0.00 0.00 178.44 179.72 3kqh h VAL 561 N 0.60 1.07 -0.08 1.22 2.07 -1.11 -0.30 116.25 119.73 3kqh h VAL 561 Ca 0.16 -0.21 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 3kqh h VAL 561 Cb 0.13 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 3kqh h VAL 561 CO -0.02 0.06 -0.02 0.00 0.02 0.00 0.00 177.57 177.61 3kqh h ALA 562 N 0.94 1.82 -0.04 1.67 0.00 -0.91 -1.33 119.26 121.42 3kqh h ALA 562 Ca 0.02 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 3kqh h ALA 562 Cb 0.08 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3kqh h ALA 562 CO -0.00 0.14 -0.21 -0.92 0.00 0.00 0.00 179.25 178.26 3kqh h TYR 563 N 0.10 0.28 -0.71 0.00 3.20 -0.31 -0.53 116.97 119.01 3kqh h TYR 563 Ca 0.03 -0.13 0.03 0.00 3.14 0.00 0.00 58.73 61.80 3kqh h TYR 563 Cb 0.12 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.31 3kqh h TYR 563 CO 0.00 0.85 0.47 0.37 -1.64 0.00 0.00 178.16 178.21 3kqh h GLN 564 N -0.36 0.85 -0.40 1.82 5.75 -0.83 -1.20 115.11 120.74 3kqh h GLN 564 Ca -0.02 -0.05 -0.13 0.00 -0.15 0.00 0.00 58.65 58.30 3kqh h GLN 564 Cb 0.88 -0.19 -0.01 0.00 1.07 0.00 0.00 27.48 29.23 3kqh h GLN 564 CO 0.04 0.56 -0.27 0.00 -2.65 0.00 0.00 178.83 176.52 3kqh h ALA 565 N 1.58 0.57 -0.55 3.38 0.00 -1.17 -2.20 119.26 120.88 3kqh h ALA 565 Ca 0.28 -0.40 0.08 0.00 0.00 0.00 0.00 54.91 54.86 3kqh h ALA 565 Cb 0.04 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.63 3kqh h ALA 565 CO -0.08 0.59 0.21 1.15 0.00 0.00 0.00 179.25 181.12 3kqh h THR 566 N 0.71 0.81 -0.54 0.00 2.02 -0.03 -0.27 112.91 115.62 3kqh h THR 566 Ca 0.08 -0.13 -0.03 0.00 0.77 0.00 0.00 66.41 67.10 3kqh h THR 566 Cb 0.84 0.39 -0.02 0.00 -1.74 0.00 0.00 68.15 67.62 3kqh h THR 566 CO 0.07 0.07 0.22 0.58 0.37 0.00 0.00 175.52 176.84 3kqh h VAL 567 N 0.39 1.21 0.75 3.16 2.07 -1.12 -0.68 116.25 122.03 3kqh h VAL 567 Ca 0.27 -0.65 -0.03 0.00 0.82 0.00 0.00 66.70 67.10 3kqh h VAL 567 Cb 0.30 0.65 -0.00 0.00 -1.52 0.00 0.00 31.29 30.71 3kqh h VAL 567 CO -0.27 0.25 -0.47 0.00 0.02 0.00 0.00 177.57 177.11 3kqh h ALA 569 N -1.22 0.25 -0.64 0.00 0.00 -0.99 0.71 119.26 117.36 3kqh h ALA 569 Ca -0.10 0.18 0.19 0.00 0.00 0.00 0.00 54.91 55.18 3kqh h ALA 569 Cb 0.92 0.44 -0.03 0.00 0.00 0.00 0.00 17.79 19.12 3kqh h ALA 569 CO 0.10 -0.49 0.47 0.00 0.00 0.00 0.00 179.25 179.33 3kqh h ARG 570 N -0.05 0.00 -0.46 0.00 -0.00 -0.93 0.21 114.38 113.14 3kqh h ARG 570 Ca 0.23 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.71 3kqh h ARG 570 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.38 3kqh h ARG 570 CO -0.52 0.00 0.00 0.00 0.00 0.00 0.00 179.97 179.45 3kqh n ALA 571 N -2.66 2.65 -1.36 0.04 0.00 0.20 -4.94 120.51 114.45 3kqh n ALA 571 Ca 0.12 -1.54 -0.13 0.00 0.00 0.00 0.00 53.44 51.89 3kqh n ALA 571 Cb 0.72 -0.72 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 3kqh n ALA 571 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3kqh n GLN 572 N 0.61 -1.31 -3.45 0.00 6.02 0.14 -4.92 117.38 114.47 3kqh n GLN 572 Ca 0.19 0.76 -0.24 0.00 -0.01 0.00 0.00 57.00 57.71 3kqh n GLN 572 Cb 0.69 -4.99 -0.01 0.00 1.02 0.00 0.00 30.24 26.94 3kqh n GLN 572 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3kqh s ALA 573 N -2.07 3.72 0.64 -1.58 0.00 -0.44 -1.73 121.76 120.30 3kqh s ALA 573 Ca 0.00 -0.93 -0.06 0.00 0.00 0.00 0.00 51.96 50.97 3kqh s ALA 573 Cb 0.00 -2.07 0.03 0.00 0.00 0.00 0.00 23.12 21.08 3kqh s ALA 573 CO 0.00 0.03 0.94 -1.25 0.00 0.00 0.00 175.76 175.48 3kqh s PRO 574 N -4.22 2.56 0.96 0.00 0.04 -1.26 -4.16 135.00 128.91 3kqh s PRO 574 Ca 0.39 -0.18 -0.13 0.00 0.04 0.00 0.00 61.00 61.13 3kqh s PRO 574 Cb -0.10 -2.24 0.17 0.00 0.04 0.00 0.00 34.50 32.37 3kqh s PRO 574 CO 0.35 -0.95 1.14 -1.25 0.04 0.00 0.00 177.00 176.33 3kqh s PRO 575 N -5.09 0.74 0.37 0.56 0.04 -1.26 -4.50 135.00 125.85 3kqh s PRO 575 Ca 0.57 0.26 0.11 0.00 0.04 0.00 0.00 61.00 61.98 3kqh s PRO 575 Cb -0.11 -1.80 0.89 0.00 0.04 0.00 0.00 34.50 33.53 3kqh s PRO 575 CO 0.44 -2.47 1.85 -1.35 0.04 0.00 0.00 177.00 175.52 3kqh h PRO 576 N -1.69 0.60 -3.08 0.56 0.11 -1.96 -3.44 132.00 123.09 3kqh h PRO 576 Ca -0.51 -0.04 0.04 0.00 0.11 0.00 0.00 66.00 65.61 3kqh h PRO 576 Cb 1.32 -0.13 -0.05 0.00 0.11 0.00 0.00 31.00 32.25 3kqh h PRO 576 CO 0.57 0.40 0.19 -1.54 -0.21 0.00 0.00 178.00 177.41 3kqh s SER 577 N -5.67 -0.19 -0.62 -2.05 1.04 -1.26 -0.84 113.70 104.10 3kqh s SER 577 Ca -0.10 -0.72 -0.01 0.00 0.48 0.00 0.00 55.95 55.60 3kqh s SER 577 Cb 0.23 0.73 0.46 0.00 0.10 0.00 0.00 66.02 67.54 3kqh s SER 577 CO 0.79 -1.37 1.95 0.79 0.98 0.00 0.00 173.24 176.38 3kqh n TRP 578 N -0.46 3.17 -0.60 5.02 7.02 -1.26 -4.77 117.44 125.56 3kqh n TRP 578 Ca -0.04 -2.89 -0.15 0.00 -1.02 0.00 0.00 57.50 53.40 3kqh n TRP 578 Cb 0.59 -1.33 0.13 0.00 -2.42 0.00 0.00 31.31 28.29 3kqh n TRP 578 CO 0.00 0.00 0.00 -3.47 -2.02 0.00 0.00 177.69 172.20 3kqh n ASP 579 N -0.92 -1.93 0.16 -0.99 4.64 -1.26 -4.92 116.55 111.33 3kqh n ASP 579 Ca 0.61 -0.72 0.13 0.00 -1.38 0.00 0.00 54.79 53.42 3kqh n ASP 579 Cb 0.75 -0.49 0.33 0.00 -1.04 0.00 0.00 41.12 40.67 3kqh n ASP 579 CO 0.00 0.00 0.00 0.06 -0.82 0.00 0.00 177.20 176.44 3kqh h GLN 580 N 0.00 0.00 0.00 -0.67 3.07 -2.01 -3.20 115.11 112.31 3kqh h GLN 580 Ca -0.20 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.53 3kqh h GLN 580 Cb 0.62 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.18 3kqh h GLN 580 CO 0.13 0.00 -0.03 0.00 0.09 0.00 0.00 178.83 179.02 3kqh h MET 581 N 0.00 0.00 -0.59 0.06 -0.00 -1.95 -2.41 114.93 110.04 3kqh h MET 581 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 3kqh h MET 581 Cb 0.81 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.41 3kqh h MET 581 CO 0.00 0.03 0.00 0.91 -0.00 0.00 0.00 176.91 177.85 3kqh n TRP 582 N -3.13 0.78 -0.55 -0.10 7.02 -1.21 -4.61 117.44 115.65 3kqh n TRP 582 Ca 0.01 -0.44 0.46 0.00 -1.02 0.00 0.00 57.50 56.51 3kqh n TRP 582 Cb 0.37 -0.00 0.76 0.00 -2.42 0.00 0.00 31.31 30.02 3kqh n TRP 582 CO 0.00 0.00 0.00 1.57 -2.02 0.00 0.00 177.69 177.24 3kqh h LYS 583 N 3.92 0.00 0.00 -0.99 2.10 -1.53 0.29 116.57 120.36 3kqh h LYS 583 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3kqh h LYS 583 Cb 0.94 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.27 3kqh h LYS 583 CO 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 179.45 177.45 3kqh n LEU 585 N -1.42 2.47 -0.35 0.00 4.77 0.10 -4.60 117.00 117.98 3kqh n LEU 585 Ca 0.02 -1.49 -0.03 0.00 -0.03 0.00 0.00 56.01 54.48 3kqh n LEU 585 Cb 0.07 -0.12 0.09 0.00 -2.33 0.00 0.00 43.42 41.14 3kqh n LEU 585 CO 0.06 0.56 1.23 0.16 -1.33 0.00 0.00 177.39 178.07 3kqh h ILE 586 N 2.23 1.25 -0.72 -0.08 3.07 -1.59 -1.58 117.51 120.09 3kqh h ILE 586 Ca 0.00 -0.53 0.13 0.00 1.55 0.00 0.00 64.86 66.01 3kqh h ILE 586 Cb 0.62 -0.08 -0.09 0.00 -0.27 0.00 0.00 36.82 37.00 3kqh h ILE 586 CO 0.00 0.26 0.27 -0.09 -1.05 0.00 0.00 178.15 177.54 3kqh h ARG 587 N 1.28 0.40 -0.00 0.16 9.65 -1.81 0.28 114.38 124.34 3kqh h ARG 587 Ca 0.34 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 59.19 3kqh h ARG 587 Cb -0.07 -0.09 0.00 0.00 -1.39 0.00 0.00 29.97 28.42 3kqh h ARG 587 CO -0.07 0.27 -0.21 1.28 2.80 0.00 0.00 179.97 184.04 3kqh n LEU 588 N -5.02 0.69 -0.35 3.80 4.77 -0.96 -4.43 117.00 115.50 3kqh n LEU 588 Ca 0.13 -0.09 0.10 0.00 -0.03 0.00 0.00 56.01 56.12 3kqh n LEU 588 Cb 0.39 -0.18 0.21 0.00 -2.33 0.00 0.00 43.42 41.51 3kqh n LEU 588 CO 0.18 0.13 0.72 0.50 -1.33 0.00 0.00 177.39 177.60 3kqh h LYS 589 N 0.76 0.00 -0.92 3.23 3.64 0.06 0.70 116.57 124.04 3kqh h LYS 589 Ca 0.00 -0.00 0.13 0.00 -1.27 0.00 0.00 60.65 59.51 3kqh h LYS 589 Cb 0.44 -0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 32.17 3kqh h LYS 589 CO 0.00 0.00 0.53 -1.35 -2.27 0.00 0.00 179.45 176.36 3kqh h PRO 590 N 0.00 0.78 0.00 1.90 0.11 -1.77 -2.59 132.00 130.42 3kqh h PRO 590 Ca 0.54 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.60 3kqh h PRO 590 Cb 0.96 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.89 3kqh h PRO 590 CO -0.99 0.52 -0.89 0.25 -0.21 0.00 0.00 178.00 176.68 3kqh n THR 591 N -4.74 0.28 -2.59 -1.15 -2.24 0.12 -4.86 114.28 99.09 3kqh n THR 591 Ca 0.18 -0.29 -0.43 0.00 -2.27 0.00 0.00 64.05 61.24 3kqh n THR 591 Cb 0.39 0.02 -0.02 0.00 -2.10 0.00 0.00 70.33 68.63 3kqh n THR 591 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3kqh s LEU 592 N -4.18 3.92 0.20 3.22 1.43 -0.47 -4.86 118.68 117.95 3kqh s LEU 592 Ca 0.04 1.08 -0.04 0.00 -1.03 0.00 0.00 54.13 54.19 3kqh s LEU 592 Cb 0.14 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.78 3kqh s LEU 592 CO 0.77 -0.92 0.20 -1.00 0.23 0.00 0.00 176.35 175.63 3kqh s HIS 593 N 3.80 0.94 0.00 0.29 3.76 -0.71 -4.52 115.29 118.85 3kqh s HIS 593 Ca 0.48 -1.21 0.00 0.00 -0.15 0.00 0.00 55.06 54.18 3kqh s HIS 593 Cb -0.13 -0.38 0.00 0.00 1.11 0.00 0.00 32.58 33.18 3kqh s HIS 593 CO 0.17 -0.71 0.00 0.41 -0.85 0.00 0.00 174.74 173.77 3kqh n GLY 594 N -0.28 -0.59 3.67 -2.22 0.00 -1.26 -4.16 105.19 100.36 3kqh n GLY 594 Ca 0.00 -1.76 -0.31 0.00 0.00 0.00 0.00 46.02 43.95 3kqh n GLY 594 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3kqh s PRO 595 N -1.20 1.05 -0.19 1.61 0.02 -1.26 -4.35 135.00 130.67 3kqh s PRO 595 Ca 0.00 1.46 -0.10 0.00 0.02 0.00 0.00 61.00 62.38 3kqh s PRO 595 Cb 0.00 -1.74 -0.05 0.00 0.02 0.00 0.00 34.50 32.73 3kqh s PRO 595 CO 0.00 -2.58 0.14 0.99 -0.33 0.00 0.00 177.00 175.21 3kqh s THR 596 N -2.67 5.41 -1.10 0.99 2.01 0.23 -4.50 115.64 116.01 3kqh s THR 596 Ca 0.66 0.20 -0.22 0.00 0.31 0.00 0.00 61.69 62.65 3kqh s THR 596 Cb -0.22 -3.47 0.02 0.00 0.01 0.00 0.00 72.50 68.84 3kqh s THR 596 CO 0.58 0.45 1.67 -2.84 -0.69 0.00 0.00 174.62 173.79 3kqh s PRO 597 N 0.25 3.41 -0.15 4.92 0.02 -1.26 -0.63 135.00 141.56 3kqh s PRO 597 Ca 0.09 -1.24 -0.29 0.00 0.02 0.00 0.00 61.00 59.58 3kqh s PRO 597 Cb -0.11 -5.35 -0.03 0.00 0.02 0.00 0.00 34.50 29.03 3kqh s PRO 597 CO -0.01 -2.62 1.57 -1.17 -0.33 0.00 0.00 177.00 174.44 3kqh s LEU 598 N 6.29 4.10 -0.08 -5.54 2.96 -0.90 -4.86 118.68 120.64 3kqh s LEU 598 Ca 0.55 1.85 -0.03 0.00 -0.22 0.00 0.00 54.13 56.28 3kqh s LEU 598 Cb -0.00 -3.53 -0.26 0.00 0.50 0.00 0.00 46.19 42.89 3kqh s LEU 598 CO -0.01 -1.05 0.51 -0.07 -1.32 0.00 0.00 176.35 174.41 3kqh h LEU 599 N 10.82 0.35 -7.56 -0.68 3.38 -1.92 -3.45 115.31 116.25 3kqh h LEU 599 Ca -0.34 -0.71 0.21 0.00 0.09 0.00 0.00 57.88 57.12 3kqh h LEU 599 Cb 1.15 -0.11 -0.09 0.00 0.09 0.00 0.00 40.66 41.70 3kqh h LEU 599 CO 0.98 1.63 0.55 -0.72 0.09 0.00 0.00 178.44 180.97 3kqh s TYR 600 N -2.57 -0.12 -0.37 1.13 -0.85 -1.26 -4.56 117.35 108.75 3kqh s TYR 600 Ca -0.17 -0.15 -0.10 0.00 -0.52 0.00 0.00 57.07 56.14 3kqh s TYR 600 Cb 0.07 0.62 0.03 0.00 0.38 0.00 0.00 41.96 43.06 3kqh s TYR 600 CO 0.80 -0.71 0.18 1.03 -1.52 0.00 0.00 175.55 175.32 3kqh s ARG 601 N -3.11 2.74 -0.79 -3.49 0.52 -0.36 -4.97 118.95 109.49 3kqh s ARG 601 Ca 0.12 -1.13 -0.00 0.00 -0.52 0.00 0.00 55.73 54.20 3kqh s ARG 601 Cb -0.00 -3.65 0.36 0.00 0.52 0.00 0.00 34.95 32.17 3kqh s ARG 601 CO 0.01 -0.71 1.74 1.28 0.02 0.00 0.00 175.30 177.64 3kqh n LEU 602 N 4.94 6.77 0.00 2.53 4.77 -1.26 -0.55 117.00 134.20 3kqh n LEU 602 Ca -0.12 -5.09 0.00 0.00 -0.03 0.00 0.00 56.01 50.78 3kqh n LEU 602 Cb 0.45 -0.94 0.00 0.00 -2.33 0.00 0.00 43.42 40.60 3kqh n LEU 602 CO 0.35 1.95 0.00 0.61 -1.33 0.00 0.00 177.39 178.97 3kqh n GLY 603 N -0.41 0.14 3.72 -0.72 0.00 -1.14 -4.98 105.19 101.81 3kqh n GLY 603 Ca 0.48 -1.54 -0.30 0.00 0.00 0.00 0.00 46.02 44.66 3kqh n GLY 603 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kqh s ALA 604 N -1.83 3.41 -0.04 4.61 0.00 -1.26 -4.97 121.76 121.68 3kqh s ALA 604 Ca 0.00 -1.06 0.02 0.00 0.00 0.00 0.00 51.96 50.92 3kqh s ALA 604 Cb 0.00 -1.31 0.01 0.00 0.00 0.00 0.00 23.12 21.83 3kqh s ALA 604 CO 0.00 0.72 -0.07 0.54 0.00 0.00 0.00 175.76 176.95 3kqh s VAL 605 N -1.33 0.71 -0.17 0.00 0.11 -1.26 -4.46 120.40 114.00 3kqh s VAL 605 Ca 0.27 -0.26 -0.15 0.00 -2.93 0.00 0.00 61.98 58.91 3kqh s VAL 605 Cb -0.12 -0.68 -0.07 0.00 -1.53 0.00 0.00 36.38 33.98 3kqh s VAL 605 CO 0.19 0.25 -0.32 0.00 -3.33 0.00 0.00 175.10 171.90 3kqh n GLN 606 N 3.76 0.49 -0.94 1.54 1.13 -0.02 -4.98 117.38 118.36 3kqh n GLN 606 Ca -0.23 0.20 -0.37 0.00 -1.94 0.00 0.00 57.00 54.66 3kqh n GLN 606 Cb 0.52 -1.34 0.06 0.00 0.11 0.00 0.00 30.24 29.58 3kqh n GLN 606 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 3kqh n ASN 607 N -4.30 -3.54 -4.76 1.08 4.05 -1.01 -4.89 115.26 101.89 3kqh n ASN 607 Ca -0.21 0.04 -0.40 0.00 0.45 0.00 0.00 54.58 54.45 3kqh n ASN 607 Cb 0.55 -0.65 -0.03 0.00 1.23 0.00 0.00 39.78 40.88 3kqh n ASN 607 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 3kqh s GLU 608 N -2.28 4.52 -0.04 1.20 2.02 -1.26 -4.89 118.70 117.97 3kqh s GLU 608 Ca 0.41 1.98 0.03 0.00 0.02 0.00 0.00 54.97 57.41 3kqh s GLU 608 Cb 0.00 -3.14 -0.03 0.00 0.10 0.00 0.00 34.13 31.06 3kqh s GLU 608 CO 0.70 0.04 -0.10 0.08 0.02 0.00 0.00 175.26 175.99 3kqh s VAL 609 N -1.14 3.39 0.02 2.63 1.01 -1.26 0.75 120.40 125.80 3kqh s VAL 609 Ca 0.46 -0.68 0.05 0.00 0.00 0.00 0.00 61.98 61.82 3kqh s VAL 609 Cb -0.35 -2.38 -0.02 0.00 0.00 0.00 0.00 36.38 33.62 3kqh s VAL 609 CO 0.46 0.54 -0.16 0.28 0.00 0.00 0.00 175.10 176.22 3kqh s THR 610 N -0.83 1.31 -0.20 3.92 -1.32 0.19 -4.82 115.64 113.89 3kqh s THR 610 Ca 0.13 -0.92 0.12 0.00 -1.21 0.00 0.00 61.69 59.81 3kqh s THR 610 Cb -0.11 -1.13 0.43 0.00 -1.51 0.00 0.00 72.50 70.18 3kqh s THR 610 CO 0.03 0.19 1.21 0.35 -2.21 0.00 0.00 174.62 174.18 3kqh n THR 611 N 2.19 1.98 0.45 5.08 -2.24 -1.26 -2.11 114.28 118.37 3kqh n THR 611 Ca -0.16 -3.13 0.12 0.00 -2.27 0.00 0.00 64.05 58.61 3kqh n THR 611 Cb 0.54 -0.20 0.20 0.00 -2.10 0.00 0.00 70.33 68.78 3kqh n THR 611 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3kqh n THR 612 N -0.86 0.41 -2.56 4.28 -2.24 -1.26 -4.66 114.28 107.39 3kqh n THR 612 Ca 0.21 -0.70 -0.40 0.00 -2.27 0.00 0.00 64.05 60.89 3kqh n THR 612 Cb 0.79 1.05 -0.05 0.00 -2.10 0.00 0.00 70.33 70.02 3kqh n THR 612 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 3kqh s HIS 613 N -1.59 3.69 0.19 4.78 5.04 -1.26 -4.91 115.29 121.24 3kqh s HIS 613 Ca 0.37 1.74 -0.16 0.00 -1.54 0.00 0.00 55.06 55.47 3kqh s HIS 613 Cb 0.22 -3.20 0.17 0.00 0.04 0.00 0.00 32.58 29.82 3kqh s HIS 613 CO 0.31 -0.28 1.63 -1.35 -2.34 0.00 0.00 174.74 172.71 3kqh h PRO 614 N 4.22 -0.06 -0.60 2.88 0.11 -1.99 0.28 132.00 136.84 3kqh h PRO 614 Ca -0.46 0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.72 3kqh h PRO 614 Cb 1.21 0.01 -0.04 0.00 0.11 0.00 0.00 31.00 32.30 3kqh h PRO 614 CO 0.68 -0.04 0.40 0.82 -0.21 0.00 0.00 178.00 179.65 3kqh h ILE 615 N -0.06 1.00 -0.49 4.15 5.03 -1.96 0.11 117.51 125.29 3kqh h ILE 615 Ca 0.25 -0.20 -0.13 0.00 -0.12 0.00 0.00 64.86 64.66 3kqh h ILE 615 Cb 0.45 0.37 -0.01 0.00 -3.03 0.00 0.00 36.82 34.60 3kqh h ILE 615 CO -0.59 0.11 -0.21 0.74 -0.68 0.00 0.00 178.15 177.52 3kqh h THR 616 N 0.58 1.27 -0.32 -0.27 2.02 -1.32 -1.62 112.91 113.24 3kqh h THR 616 Ca 0.26 -1.37 -0.11 0.00 0.77 0.00 0.00 66.41 65.96 3kqh h THR 616 Cb 0.28 1.11 -0.01 0.00 -1.74 0.00 0.00 68.15 67.78 3kqh h THR 616 CO -0.08 0.47 -0.26 0.11 0.37 0.00 0.00 175.52 176.14 3kqh h LYS 617 N 0.86 0.65 0.15 6.66 6.56 0.22 -1.67 116.57 130.01 3kqh h LYS 617 Ca 0.11 -0.27 -0.01 0.00 -1.06 0.00 0.00 60.65 59.43 3kqh h LYS 617 Cb 0.78 -0.03 0.00 0.00 -0.57 0.00 0.00 32.23 32.42 3kqh h LYS 617 CO 0.07 0.85 -0.07 -0.92 -2.06 0.00 0.00 179.45 177.31 3kqh h TYR 618 N 0.57 -0.19 -0.76 -1.35 3.20 -0.58 -0.48 116.97 117.38 3kqh h TYR 618 Ca 0.08 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.90 3kqh h TYR 618 Cb 0.74 0.06 -0.03 0.00 1.54 0.00 0.00 36.73 39.04 3kqh h TYR 618 CO 0.03 -0.05 0.32 0.82 -1.64 0.00 0.00 178.16 177.64 3kqh h ILE 619 N -0.29 1.25 -0.91 1.81 2.04 -1.24 0.04 117.51 120.21 3kqh h ILE 619 Ca -0.02 -0.77 -0.01 0.00 1.00 0.00 0.00 64.86 65.07 3kqh h ILE 619 Cb 0.23 0.33 -0.04 0.00 -0.74 0.00 0.00 36.82 36.60 3kqh h ILE 619 CO 0.03 0.31 0.55 0.24 0.00 0.00 0.00 178.15 179.28 3kqh h MET 620 N 1.09 1.23 -0.47 2.37 2.86 -1.04 -1.66 114.93 119.31 3kqh h MET 620 Ca 0.25 -0.11 -0.11 0.00 -2.06 0.00 0.00 59.70 57.68 3kqh h MET 620 Cb 0.18 -0.26 -0.02 0.00 0.06 0.00 0.00 31.60 31.57 3kqh h MET 620 CO -0.02 0.86 -0.13 0.00 1.06 0.00 0.00 176.91 178.67 3kqh h ALA 621 N 1.35 0.87 -0.14 6.32 0.00 -0.19 -2.45 119.26 125.03 3kqh h ALA 621 Ca 0.33 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3kqh h ALA 621 Cb -0.05 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3kqh h ALA 621 CO -0.06 0.64 0.04 0.00 0.00 0.00 0.00 179.25 179.87 3kqh n MET 623 N -4.46 0.23 0.00 0.00 2.81 -0.75 -4.97 117.12 109.99 3kqh n MET 623 Ca -0.01 0.20 0.15 0.00 -1.81 0.00 0.00 57.70 56.24 3kqh n MET 623 Cb 0.12 -1.78 0.84 0.00 -0.71 0.00 0.00 33.22 31.70 3kqh n MET 623 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91