#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qat h MET 207 N 0.00 0.00 0.00 1.97 2.86 -2.09 -2.54 114.93 115.12 1qat h MET 207 Ca 0.00 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.53 1qat h MET 207 Cb 0.00 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 1qat h MET 207 CO 0.00 0.27 -2.06 -0.11 1.06 0.00 0.00 176.91 176.07 1qat n LEU 208 N -3.36 0.05 0.00 1.22 7.94 -1.26 -4.16 117.00 117.44 1qat n LEU 208 Ca 0.01 0.02 0.05 0.00 -1.11 0.00 0.00 56.01 54.98 1qat n LEU 208 Cb 0.49 0.14 0.24 0.00 0.53 0.00 0.00 43.42 44.82 1qat n LEU 208 CO 0.35 0.14 0.62 0.41 -1.11 0.00 0.00 177.39 177.79 1qat n THR 209 N -2.43 0.94 -1.68 1.96 -1.04 -0.97 -4.73 114.28 106.34 1qat n THR 209 Ca -0.12 0.24 -0.42 0.00 -2.04 0.00 0.00 64.05 61.70 1qat n THR 209 Cb 0.74 -1.07 -0.03 0.00 -1.82 0.00 0.00 70.33 68.15 1qat n THR 209 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1qat n GLN 210 N -1.35 2.85 -4.02 -2.82 6.02 -1.13 -4.97 117.38 111.97 1qat n GLN 210 Ca 0.04 1.04 -0.31 0.00 -0.01 0.00 0.00 57.00 57.76 1qat n GLN 210 Cb 0.09 -2.97 -0.15 0.00 1.02 0.00 0.00 30.24 28.23 1qat n GLN 210 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 1qat s ARG 211 N 3.59 1.79 0.40 -1.09 1.70 -1.26 -5.00 118.95 119.07 1qat s ARG 211 Ca 0.85 -1.51 0.18 0.00 -0.47 0.00 0.00 55.73 54.79 1qat s ARG 211 Cb -0.45 -2.94 1.09 0.00 -0.57 0.00 0.00 34.95 32.08 1qat s ARG 211 CO 0.39 -0.74 1.79 0.00 -1.08 0.00 0.00 175.30 175.66 1qat h ALA 212 N 7.74 2.22 0.00 7.88 0.00 -1.99 -0.41 119.26 134.70 1qat h ALA 212 Ca -0.13 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1qat h ALA 212 Cb 1.03 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 1qat h ALA 212 CO 0.48 -0.60 -0.13 1.05 0.00 0.00 0.00 179.25 180.05 1qat h GLU 213 N 0.41 0.00 0.00 0.00 9.09 -1.98 0.22 114.58 122.31 1qat h GLU 213 Ca 0.57 0.00 -0.22 0.00 0.05 0.00 0.00 59.36 59.76 1qat h GLU 213 Cb 1.43 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 28.49 1qat h GLU 213 CO -0.27 0.13 -1.20 0.82 0.05 0.00 0.00 179.01 178.55 1qat h ILE 214 N 0.00 1.28 -0.33 -1.06 1.08 -1.50 -1.93 117.51 115.05 1qat h ILE 214 Ca -0.00 -2.98 -0.15 0.00 -0.39 0.00 0.00 64.86 61.34 1qat h ILE 214 Cb 0.28 2.62 -0.01 0.00 -3.07 0.00 0.00 36.82 36.64 1qat h ILE 214 CO 0.02 0.73 -0.40 0.44 -0.69 0.00 0.00 178.15 178.25 1qat h ASP 215 N 0.00 0.84 -0.73 1.72 5.19 -1.14 0.20 116.42 122.50 1qat h ASP 215 Ca -0.10 -0.38 -0.01 0.00 -0.62 0.00 0.00 57.03 55.91 1qat h ASP 215 Cb 1.79 -0.24 -0.03 0.00 0.18 0.00 0.00 39.33 41.03 1qat h ASP 215 CO 0.10 1.13 0.42 -0.09 -3.12 0.00 0.00 179.24 177.69 1qat h ARG 216 N 0.64 1.00 -0.07 3.56 9.65 -0.56 0.13 114.38 128.73 1qat h ARG 216 Ca 0.05 -0.10 -0.04 0.00 -1.10 0.00 0.00 59.98 58.79 1qat h ARG 216 Cb 0.96 -0.20 -0.00 0.00 -1.39 0.00 0.00 29.97 29.33 1qat h ARG 216 CO 0.09 0.72 -0.11 0.00 2.80 0.00 0.00 179.97 183.48 1qat h ALA 217 N 1.22 0.11 -0.53 2.80 0.00 -0.98 -2.44 119.26 119.43 1qat h ALA 217 Ca 0.26 -0.32 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 1qat h ALA 217 Cb -0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1qat h ALA 217 CO -0.05 -0.04 -0.09 0.35 0.00 0.00 0.00 179.25 179.43 1qat h PHE 218 N -0.27 1.11 0.43 0.00 3.57 -0.53 -2.86 116.94 118.40 1qat h PHE 218 Ca 0.01 -0.23 -0.02 0.00 3.53 0.00 0.00 57.97 61.26 1qat h PHE 218 Cb 0.66 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 39.13 1qat h PHE 218 CO 0.10 1.04 -0.21 0.93 -2.23 0.00 0.00 178.31 177.94 1qat h GLU 219 N 0.87 -0.56 -0.47 1.11 5.08 -1.04 0.21 114.58 119.78 1qat h GLU 219 Ca 0.14 0.04 0.14 0.00 -1.00 0.00 0.00 59.36 58.67 1qat h GLU 219 Cb 0.65 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.01 1qat h GLU 219 CO 0.05 -0.30 0.49 1.49 -1.00 0.00 0.00 179.01 179.73 1qat h GLU 220 N -0.74 0.00 0.04 2.33 4.81 -1.43 -0.67 114.58 118.92 1qat h GLU 220 Ca -0.06 0.00 -0.37 0.00 -0.13 0.00 0.00 59.36 58.80 1qat h GLU 220 Cb 0.52 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.86 1qat h GLU 220 CO 0.10 0.00 -2.14 0.00 -0.73 0.00 0.00 179.01 176.24 1qat n ALA 221 N -2.36 1.11 0.15 2.92 0.00 -1.07 -4.49 120.51 116.76 1qat n ALA 221 Ca 0.09 -0.84 0.02 0.00 0.00 0.00 0.00 53.44 52.71 1qat n ALA 221 Cb 0.68 -0.31 0.18 0.00 0.00 0.00 0.00 19.45 20.00 1qat n ALA 221 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qat h ALA 222 N -0.28 0.83 0.00 0.00 0.00 -0.10 -3.48 119.26 116.23 1qat h ALA 222 Ca -0.52 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 53.92 1qat h ALA 222 Cb 1.78 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.48 1qat h ALA 222 CO -0.13 0.64 0.00 0.41 0.00 0.00 0.00 179.25 180.17 1qat n GLY 223 N 0.63 0.60 1.54 0.00 0.00 -0.30 -3.53 105.19 104.12 1qat n GLY 223 Ca 0.00 -1.14 0.03 0.00 0.00 0.00 0.00 46.02 44.91 1qat n GLY 223 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1qat n SER 224 N 2.96 4.33 -4.83 1.61 2.88 -1.26 -4.82 113.62 114.49 1qat n SER 224 Ca 0.00 -2.71 -0.36 0.00 -1.33 0.00 0.00 58.87 54.46 1qat n SER 224 Cb 0.00 -0.64 -0.07 0.00 -0.75 0.00 0.00 64.21 62.75 1qat n SER 224 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1qat s ALA 225 N -2.27 3.78 -1.65 -1.46 0.00 -1.23 -4.99 121.76 113.94 1qat s ALA 225 Ca 0.39 -0.67 0.24 0.00 0.00 0.00 0.00 51.96 51.92 1qat s ALA 225 Cb 0.30 -1.96 1.28 0.00 0.00 0.00 0.00 23.12 22.74 1qat s ALA 225 CO 0.11 0.53 1.78 -1.91 0.00 0.00 0.00 175.76 176.27 1qat n GLU 226 N 2.29 0.50 -4.21 0.00 2.13 -1.26 -4.79 120.64 115.29 1qat n GLU 226 Ca -0.19 0.04 -0.14 0.00 0.66 0.00 0.00 57.16 57.53 1qat n GLU 226 Cb 0.54 -1.50 -0.09 0.00 0.27 0.00 0.00 31.44 30.66 1qat n GLU 226 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1qat s THR 227 N -2.35 0.00 -0.06 6.31 -4.23 -1.26 -4.38 115.64 109.67 1qat s THR 227 Ca 0.27 -1.97 -0.01 0.00 -1.18 0.00 0.00 61.69 58.80 1qat s THR 227 Cb 0.16 -2.49 -0.03 0.00 1.34 0.00 0.00 72.50 71.47 1qat s THR 227 CO 0.32 0.00 0.00 -0.76 -0.54 0.00 0.00 174.62 173.64 1qat s LEU 228 N -3.21 3.55 0.09 4.79 1.43 0.29 -4.84 118.68 120.78 1qat s LEU 228 Ca 0.39 0.10 -0.02 0.00 -1.03 0.00 0.00 54.13 53.57 1qat s LEU 228 Cb 0.05 -1.87 -0.05 0.00 0.03 0.00 0.00 46.19 44.36 1qat s LEU 228 CO 0.16 0.35 0.28 -0.94 0.23 0.00 0.00 176.35 176.43 1qat s SER 229 N -1.06 6.42 0.44 2.29 1.04 -1.26 -1.49 113.70 120.08 1qat s SER 229 Ca 0.15 0.41 0.20 0.00 0.48 0.00 0.00 55.95 57.19 1qat s SER 229 Cb -0.11 -2.02 1.16 0.00 0.10 0.00 0.00 66.02 65.15 1qat s SER 229 CO 0.04 0.13 1.87 0.58 0.98 0.00 0.00 173.24 176.84 1qat h VAL 230 N 2.13 0.67 0.27 5.02 2.07 -1.94 0.23 116.25 124.69 1qat h VAL 230 Ca -0.46 -0.11 -0.00 0.00 0.82 0.00 0.00 66.70 66.95 1qat h VAL 230 Cb 1.16 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 1qat h VAL 230 CO 0.74 0.06 -0.23 -0.33 0.02 0.00 0.00 177.57 177.83 1qat h GLU 231 N 0.33 -0.49 0.00 1.57 3.07 -1.92 -2.13 114.58 115.00 1qat h GLU 231 Ca 0.45 0.03 -0.08 0.00 -0.50 0.00 0.00 59.36 59.27 1qat h GLU 231 Cb 1.23 0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 29.24 1qat h GLU 231 CO -0.14 -0.33 -0.36 0.00 -1.40 0.00 0.00 179.01 176.77 1qat h ARG 232 N -0.51 0.00 -0.18 2.33 2.47 -1.11 -3.12 114.38 114.26 1qat h ARG 232 Ca -0.01 0.00 -0.16 0.00 -1.26 0.00 0.00 59.98 58.55 1qat h ARG 232 Cb 0.46 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.78 1qat h ARG 232 CO -0.03 0.36 -0.51 1.25 0.56 0.00 0.00 179.97 181.61 1qat h LEU 233 N 0.00 0.75 -1.82 3.04 5.85 -0.51 -0.83 115.31 121.80 1qat h LEU 233 Ca -0.00 -0.58 0.00 0.00 0.84 0.00 0.00 57.88 58.13 1qat h LEU 233 Cb 0.92 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.72 1qat h LEU 233 CO 0.05 1.21 0.12 0.58 -0.34 0.00 0.00 178.44 180.06 1qat h VAL 234 N 0.34 1.05 -0.32 1.05 2.07 -1.40 0.47 116.25 119.50 1qat h VAL 234 Ca -0.01 -0.09 -0.15 0.00 0.82 0.00 0.00 66.70 67.27 1qat h VAL 234 Cb 1.12 0.77 -0.00 0.00 -1.52 0.00 0.00 31.29 31.66 1qat h VAL 234 CO 0.11 0.05 -0.39 0.74 0.02 0.00 0.00 177.57 178.09 1qat h THR 235 N 0.25 1.28 0.12 2.57 2.02 -1.40 -2.28 112.91 115.47 1qat h THR 235 Ca 0.07 -1.57 -0.01 0.00 0.77 0.00 0.00 66.41 65.67 1qat h THR 235 Cb -0.03 1.54 0.00 0.00 -1.74 0.00 0.00 68.15 67.92 1qat h THR 235 CO -0.01 0.51 -0.06 0.15 0.37 0.00 0.00 175.52 176.48 1qat h PHE 236 N 0.61 -0.15 -1.00 3.16 3.57 0.36 0.76 116.94 124.25 1qat h PHE 236 Ca 0.04 -0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.67 1qat h PHE 236 Cb 0.99 0.05 -0.09 0.00 2.79 0.00 0.00 35.95 39.69 1qat h PHE 236 CO 0.07 0.11 0.63 -0.07 -2.23 0.00 0.00 178.31 176.82 1qat h LEU 237 N -0.40 0.91 0.19 0.59 3.38 -0.16 0.21 115.31 120.03 1qat h LEU 237 Ca -0.02 0.05 -0.34 0.00 0.09 0.00 0.00 57.88 57.67 1qat h LEU 237 Cb 0.33 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 40.96 1qat h LEU 237 CO 0.03 0.47 -1.65 0.06 0.09 0.00 0.00 178.44 177.43 1qat h GLN 238 N 0.97 0.40 0.05 1.13 3.07 -1.34 -0.65 115.11 118.73 1qat h GLN 238 Ca 0.51 -0.69 -0.08 0.00 0.09 0.00 0.00 58.65 58.47 1qat h GLN 238 Cb 0.53 0.26 0.01 0.00 0.08 0.00 0.00 27.48 28.36 1qat h GLN 238 CO -0.28 1.33 -0.34 1.25 0.09 0.00 0.00 178.83 180.88 1qat h HIS 239 N 0.06 0.26 0.00 0.06 2.76 -0.53 -3.08 115.15 114.67 1qat h HIS 239 Ca -0.32 -0.17 -0.02 0.00 -2.20 0.00 0.00 60.37 57.66 1qat h HIS 239 Cb 2.07 -0.02 -0.00 0.00 1.55 0.00 0.00 27.41 31.01 1qat h HIS 239 CO 0.11 1.09 -0.52 1.96 -1.30 0.00 0.00 177.93 179.27 1qat h GLN 240 N -0.65 0.00 0.00 5.26 1.08 -0.77 -3.39 115.11 116.64 1qat h GLN 240 Ca -0.06 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.14 1qat h GLN 240 Cb 1.22 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.65 1qat h GLN 240 CO 0.07 0.08 0.00 1.96 -0.95 0.00 0.00 178.83 179.99 1qat h GLN 241 N -1.00 0.00 -6.35 1.46 1.08 -1.43 -3.19 115.11 105.68 1qat h GLN 241 Ca -0.03 0.00 -0.47 0.00 -1.45 0.00 0.00 58.65 56.70 1qat h GLN 241 Cb 0.53 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.95 1qat h GLN 241 CO -0.02 0.00 -0.88 0.54 -0.95 0.00 0.00 178.83 177.52 1qat n ARG 242 N -2.32 -3.39 -3.05 1.46 5.12 -0.73 -4.31 116.66 109.45 1qat n ARG 242 Ca 0.01 0.47 -0.19 0.00 -1.93 0.00 0.00 57.85 56.20 1qat n ARG 242 Cb 0.17 -4.63 0.01 0.00 -1.16 0.00 0.00 32.46 26.85 1qat n ARG 242 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1qat s GLU 243 N -6.32 2.87 -0.99 5.56 0.41 -0.33 -4.90 118.70 115.01 1qat s GLU 243 Ca 0.07 -0.99 -0.01 0.00 -0.41 0.00 0.00 54.97 53.63 1qat s GLU 243 Cb -0.03 -2.69 0.32 0.00 -1.78 0.00 0.00 34.13 29.95 1qat s GLU 243 CO 0.86 -0.28 1.78 0.39 -0.49 0.00 0.00 175.26 177.53 1qat n GLU 244 N -1.93 5.21 -1.08 1.61 4.71 -1.26 -4.65 120.64 123.25 1qat n GLU 244 Ca 0.05 -4.64 -0.37 0.00 -0.01 0.00 0.00 57.16 52.19 1qat n GLU 244 Cb 0.59 -2.45 -0.03 0.00 -1.01 0.00 0.00 31.44 28.54 1qat n GLU 244 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1qat n GLU 245 N -0.09 0.00 -0.16 3.49 -0.58 -1.26 -4.82 120.64 117.22 1qat n GLU 245 Ca 0.46 0.00 0.01 0.00 -0.42 0.00 0.00 57.16 57.22 1qat n GLU 245 Cb 0.27 -0.79 0.07 0.00 -0.57 0.00 0.00 31.44 30.42 1qat n GLU 245 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1qat n ALA 246 N 0.08 2.72 0.00 0.62 0.00 -1.26 -4.95 120.51 117.72 1qat n ALA 246 Ca 0.14 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1qat n ALA 246 Cb 0.18 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.61 1qat n ALA 246 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qat n GLY 247 N 0.21 0.50 0.13 0.00 0.00 -1.26 -3.18 105.19 101.59 1qat n GLY 247 Ca 0.05 -1.10 0.12 0.00 0.00 0.00 0.00 46.02 45.10 1qat n GLY 247 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1qat n PRO 248 N 9.30 0.20 -0.16 1.61 -0.02 -1.26 -3.24 135.00 141.43 1qat n PRO 248 Ca 0.00 0.41 -0.06 0.00 -2.02 0.00 0.00 63.50 61.83 1qat n PRO 248 Cb 0.00 -1.87 0.03 0.00 -0.02 0.00 0.00 33.50 31.64 1qat n PRO 248 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1qat h ALA 249 N 2.28 0.61 0.40 3.55 0.00 -1.95 0.52 119.26 124.67 1qat h ALA 249 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1qat h ALA 249 Cb 0.39 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1qat h ALA 249 CO 0.00 -0.03 -0.19 1.25 0.00 0.00 0.00 179.25 180.28 1qat h LEU 250 N 0.57 -0.46 -1.15 0.00 5.85 -1.73 -1.75 115.31 116.64 1qat h LEU 250 Ca 0.19 -0.12 0.23 0.00 0.84 0.00 0.00 57.88 59.02 1qat h LEU 250 Cb 0.02 0.12 -0.10 0.00 0.37 0.00 0.00 40.66 41.07 1qat h LEU 250 CO -0.09 -0.05 0.62 0.00 -0.34 0.00 0.00 178.44 178.58 1qat h ALA 251 N -0.61 1.92 -0.03 1.25 0.00 -1.61 0.34 119.26 120.51 1qat h ALA 251 Ca -0.06 0.08 -0.16 0.00 0.00 0.00 0.00 54.91 54.78 1qat h ALA 251 Cb 0.55 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1qat h ALA 251 CO 0.09 -0.32 -0.69 -0.07 0.00 0.00 0.00 179.25 178.25 1qat h LEU 252 N 0.57 0.20 -0.44 0.00 3.38 0.08 -2.35 115.31 116.76 1qat h LEU 252 Ca 0.60 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 58.40 1qat h LEU 252 Cb 1.20 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.87 1qat h LEU 252 CO -0.37 0.83 0.15 0.28 0.09 0.00 0.00 178.44 179.43 1qat h SER 253 N 0.12 0.62 -0.50 -0.43 0.02 0.56 -0.90 113.55 113.04 1qat h SER 253 Ca -0.02 -0.19 -0.04 0.00 -0.84 0.00 0.00 61.79 60.71 1qat h SER 253 Cb 1.23 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 63.59 1qat h SER 253 CO 0.10 0.65 0.16 -0.07 -1.14 0.00 0.00 176.83 176.53 1qat h LEU 254 N 0.56 0.72 0.33 5.07 -0.00 -1.22 0.15 115.31 120.91 1qat h LEU 254 Ca 0.14 -0.20 -0.02 0.00 -0.00 0.00 0.00 57.88 57.81 1qat h LEU 254 Cb 0.24 -0.19 0.00 0.00 -0.00 0.00 0.00 40.66 40.71 1qat h LEU 254 CO -0.01 0.72 -0.16 0.40 -0.00 0.00 0.00 178.44 179.40 1qat h ILE 255 N 0.67 0.00 -1.14 1.22 2.04 -1.22 0.33 117.51 119.40 1qat h ILE 255 Ca 0.16 0.00 0.33 0.00 1.00 0.00 0.00 64.86 66.35 1qat h ILE 255 Cb 0.26 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.28 1qat h ILE 255 CO -0.01 0.00 0.81 -0.08 0.00 0.00 0.00 178.15 178.87 1qat h GLU 256 N -0.44 0.06 0.00 2.37 4.57 -1.18 0.18 114.58 120.14 1qat h GLU 256 Ca -0.04 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 1qat h GLU 256 Cb 0.34 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.92 1qat h GLU 256 CO 0.07 0.04 0.00 -2.13 -1.18 0.00 0.00 179.01 175.81 1qat n ARG 257 N -4.26 0.00 0.19 1.92 0.63 0.52 -4.60 116.66 111.06 1qat n ARG 257 Ca 0.25 0.27 0.14 0.00 -0.92 0.00 0.00 57.85 57.58 1qat n ARG 257 Cb 1.17 -0.75 0.41 0.00 0.45 0.00 0.00 32.46 33.75 1qat n ARG 257 CO 0.00 0.00 0.00 1.88 -2.51 0.00 0.00 177.63 177.00 1qat h TYR 258 N 0.00 0.00 -2.73 -0.14 0.05 -0.25 -3.45 116.97 110.44 1qat h TYR 258 Ca 0.00 0.00 -0.57 0.00 0.05 0.00 0.00 58.73 58.21 1qat h TYR 258 Cb 0.00 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 37.71 1qat h TYR 258 CO 0.00 0.00 1.16 -2.00 -1.05 0.00 0.00 178.16 176.27 1qat s GLU 259 N -3.31 3.72 0.12 4.88 2.56 0.63 -4.67 118.70 122.62 1qat s GLU 259 Ca 0.06 1.65 -0.04 0.00 0.00 0.00 0.00 54.97 56.64 1qat s GLU 259 Cb 0.09 -4.07 -0.14 0.00 2.00 0.00 0.00 34.13 32.01 1qat s GLU 259 CO 0.57 -1.39 1.26 -1.00 -0.56 0.00 0.00 175.26 174.14 1qat h PRO 260 N 11.14 0.36 -6.38 4.30 0.13 -1.87 -3.45 132.00 136.23 1qat h PRO 260 Ca -0.34 -0.44 -0.54 0.00 -0.87 0.00 0.00 66.00 63.81 1qat h PRO 260 Cb 1.16 0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1qat h PRO 260 CO 1.00 1.13 0.88 0.45 -0.23 0.00 0.00 178.00 181.23 1qat s SER 261 N -7.10 6.80 0.45 1.44 0.15 -1.26 -4.91 113.70 109.27 1qat s SER 261 Ca -0.05 2.18 0.23 0.00 0.70 0.00 0.00 55.95 59.01 1qat s SER 261 Cb 0.08 -2.56 1.00 0.00 -1.71 0.00 0.00 66.02 62.83 1qat s SER 261 CO 0.87 -0.76 1.87 -0.33 1.20 0.00 0.00 173.24 176.08 1qat h GLU 262 N 8.02 0.00 0.07 5.44 4.39 -2.00 -2.66 114.58 127.83 1qat h GLU 262 Ca -0.39 0.00 -0.34 0.00 0.34 0.00 0.00 59.36 58.97 1qat h GLU 262 Cb 1.18 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.80 1qat h GLU 262 CO 0.91 0.23 -1.95 0.25 -1.16 0.00 0.00 179.01 177.29 1qat n THR 263 N -3.49 1.69 0.01 1.13 -2.24 -1.26 -2.90 114.28 107.22 1qat n THR 263 Ca -0.00 -0.71 -0.02 0.00 -2.27 0.00 0.00 64.05 61.05 1qat n THR 263 Cb 0.40 -1.42 0.25 0.00 -2.10 0.00 0.00 70.33 67.47 1qat n THR 263 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qat h ALA 264 N 0.42 1.24 -0.32 6.98 0.00 -1.86 -0.30 119.26 125.43 1qat h ALA 264 Ca -0.39 -0.27 -0.16 0.00 0.00 0.00 0.00 54.91 54.08 1qat h ALA 264 Cb 2.03 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.68 1qat h ALA 264 CO 0.07 0.49 -0.45 -0.22 0.00 0.00 0.00 179.25 179.15 1qat h LYS 265 N 0.45 0.84 -0.45 0.00 3.64 -1.59 0.95 116.57 120.42 1qat h LYS 265 Ca 0.08 -0.47 -0.08 0.00 -1.27 0.00 0.00 60.65 58.91 1qat h LYS 265 Cb 0.50 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.34 1qat h LYS 265 CO 0.03 1.11 -0.04 0.00 -2.27 0.00 0.00 179.45 178.28 1qat h ALA 266 N 0.82 0.61 -0.25 5.00 0.00 -1.27 -2.36 119.26 121.79 1qat h ALA 266 Ca 0.04 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1qat h ALA 266 Cb 1.03 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 1qat h ALA 266 CO 0.10 0.43 0.01 1.04 0.00 0.00 0.00 179.25 180.83 1qat n GLN 267 N -4.35 2.64 -3.53 0.00 6.02 -0.18 -4.92 117.38 113.06 1qat n GLN 267 Ca -0.00 -1.35 -0.21 0.00 -0.01 0.00 0.00 57.00 55.43 1qat n GLN 267 Cb 0.33 -1.82 0.02 0.00 1.02 0.00 0.00 30.24 29.79 1qat n GLN 267 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1qat n ARG 268 N 0.25 -1.35 -3.94 -1.09 1.74 -0.89 -4.98 116.66 106.40 1qat n ARG 268 Ca 0.12 0.83 -0.08 0.00 -0.77 0.00 0.00 57.85 57.95 1qat n ARG 268 Cb 0.67 -4.11 -0.09 0.00 -1.02 0.00 0.00 32.46 27.92 1qat n ARG 268 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1qat s GLN 269 N -4.85 0.71 -0.14 5.56 -0.21 0.33 -3.55 119.66 117.50 1qat s GLN 269 Ca 0.22 -0.98 0.02 0.00 0.02 0.00 0.00 55.36 54.64 1qat s GLN 269 Cb -0.08 0.27 0.01 0.00 1.00 0.00 0.00 33.01 34.21 1qat s GLN 269 CO 0.84 -0.19 -0.19 1.41 -2.12 0.00 0.00 175.29 175.03 1qat s MET 270 N -3.53 3.09 0.42 2.91 -2.45 -0.55 -3.89 119.30 115.29 1qat s MET 270 Ca 0.03 -0.82 0.01 0.00 -1.25 0.00 0.00 55.69 53.67 1qat s MET 270 Cb 0.04 -2.50 -0.01 0.00 1.25 0.00 0.00 34.83 33.61 1qat s MET 270 CO -0.09 0.00 0.62 0.95 1.05 0.00 0.00 175.02 177.55 1qat s THR 271 N 0.81 4.14 0.53 10.11 -4.23 -1.26 0.11 115.64 125.84 1qat s THR 271 Ca -0.07 -0.58 0.23 0.00 -1.18 0.00 0.00 61.69 60.10 1qat s THR 271 Cb -0.15 -3.51 0.36 0.00 1.34 0.00 0.00 72.50 70.53 1qat s THR 271 CO -0.01 -0.33 2.04 0.50 -0.54 0.00 0.00 174.62 176.28 1qat h LYS 272 N 0.52 0.00 -0.37 3.99 3.64 -1.98 0.59 116.57 122.96 1qat h LYS 272 Ca -0.46 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 58.82 1qat h LYS 272 Cb 1.25 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.06 1qat h LYS 272 CO 0.57 0.00 -0.13 -0.44 -2.27 0.00 0.00 179.45 177.18 1qat h ASP 273 N 0.00 0.76 1.22 4.20 3.32 -1.96 -1.49 116.42 122.48 1qat h ASP 273 Ca 0.17 -0.39 0.00 0.00 0.02 0.00 0.00 57.03 56.84 1qat h ASP 273 Cb 0.71 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.06 1qat h ASP 273 CO -0.00 0.97 0.00 0.61 -1.72 0.00 0.00 179.24 179.10 1qat n GLY 274 N -0.12 -1.59 0.07 2.75 0.00 0.32 -2.06 105.19 104.57 1qat n GLY 274 Ca -0.02 -0.06 -0.13 0.00 0.00 0.00 0.00 46.02 45.81 1qat n GLY 274 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1qat h PHE 275 N 0.00 -0.02 -0.64 1.61 3.57 0.52 -2.97 116.94 119.01 1qat h PHE 275 Ca 0.00 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 1qat h PHE 275 Cb 0.61 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.32 1qat h PHE 275 CO 0.00 0.76 0.33 1.25 -2.23 0.00 0.00 178.31 178.42 1qat h LEU 276 N -0.84 0.82 0.02 0.59 5.85 -1.28 -2.77 115.31 117.69 1qat h LEU 276 Ca -0.00 -0.11 0.03 0.00 0.84 0.00 0.00 57.88 58.64 1qat h LEU 276 Cb 0.78 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.56 1qat h LEU 276 CO 0.00 0.69 -0.30 -0.03 -0.34 0.00 0.00 178.44 178.46 1qat h MET 277 N 0.88 -0.44 -0.98 1.25 4.05 -1.51 -1.40 114.93 116.78 1qat h MET 277 Ca 0.22 0.03 0.13 0.00 -0.28 0.00 0.00 59.70 59.80 1qat h MET 277 Cb 0.07 0.10 -0.08 0.00 -0.80 0.00 0.00 31.60 30.89 1qat h MET 277 CO -0.03 -0.30 0.62 -0.92 0.23 0.00 0.00 176.91 176.51 1qat h TYR 278 N -0.46 1.07 -0.18 1.39 3.20 -1.36 -0.70 116.97 119.93 1qat h TYR 278 Ca 0.06 0.03 -0.20 0.00 3.14 0.00 0.00 58.73 61.76 1qat h TYR 278 Cb 0.54 -0.34 0.00 0.00 1.54 0.00 0.00 36.73 38.47 1qat h TYR 278 CO -0.32 0.41 -0.69 -0.07 -1.64 0.00 0.00 178.16 175.85 1qat h LEU 279 N 0.92 0.82 -0.56 2.82 3.38 -1.19 -2.99 115.31 118.51 1qat h LEU 279 Ca 0.49 -0.50 -0.15 0.00 0.09 0.00 0.00 57.88 57.81 1qat h LEU 279 Cb 0.56 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1qat h LEU 279 CO -0.26 1.28 -0.53 -0.07 0.09 0.00 0.00 178.44 178.96 1qat h LEU 280 N 0.51 0.58 0.00 1.67 3.38 -0.75 -3.33 115.31 117.37 1qat h LEU 280 Ca -0.02 -0.30 -0.30 0.00 0.09 0.00 0.00 57.88 57.35 1qat h LEU 280 Cb 1.29 -0.17 0.18 0.00 0.09 0.00 0.00 40.66 42.05 1qat h LEU 280 CO 0.14 1.00 -0.15 -1.54 0.09 0.00 0.00 178.44 177.98 1qat n SER 281 N -3.96 -3.79 0.26 -0.43 3.41 -0.32 -4.74 113.62 104.04 1qat n SER 281 Ca -0.03 -0.72 0.13 0.00 -0.26 0.00 0.00 58.87 57.99 1qat n SER 281 Cb 0.59 -0.86 0.68 0.00 -0.26 0.00 0.00 64.21 64.36 1qat n SER 281 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qat h ALA 282 N -3.35 1.19 -0.00 7.33 0.00 -1.88 -1.44 119.26 121.10 1qat h ALA 282 Ca -0.32 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1qat h ALA 282 Cb 1.09 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1qat h ALA 282 CO 0.19 0.17 -0.00 -0.25 0.00 0.00 0.00 179.25 179.36 1qat n ASP 283 N -3.52 0.07 -0.10 0.00 8.00 -1.26 -3.38 116.55 116.36 1qat n ASP 283 Ca -0.01 -0.82 0.01 0.00 0.71 0.00 0.00 54.79 54.68 1qat n ASP 283 Cb 0.28 -0.06 0.02 0.00 -0.02 0.00 0.00 41.12 41.34 1qat n ASP 283 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1qat n GLY 284 N 1.08 0.26 3.76 0.44 0.00 -0.55 -4.92 105.19 105.25 1qat n GLY 284 Ca 0.21 -0.06 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 1qat n GLY 284 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1qat s ASN 285 N -0.47 5.96 0.14 1.61 3.84 -1.18 -1.80 114.94 123.04 1qat s ASN 285 Ca 0.03 2.53 0.21 0.00 0.21 0.00 0.00 52.86 55.84 1qat s ASN 285 Cb 0.02 -2.62 0.86 0.00 -0.55 0.00 0.00 41.25 38.95 1qat s ASN 285 CO 0.03 -1.08 1.65 0.00 -2.79 0.00 0.00 177.10 174.91 1qat n ALA 286 N -0.46 1.77 -3.07 1.71 0.00 -1.03 -4.35 120.51 115.09 1qat n ALA 286 Ca 0.07 0.01 -0.42 0.00 0.00 0.00 0.00 53.44 53.11 1qat n ALA 286 Cb 0.46 -1.35 -0.09 0.00 0.00 0.00 0.00 19.45 18.47 1qat n ALA 286 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1qat s PHE 287 N -3.16 3.29 -0.52 0.00 2.19 -1.26 -1.10 117.98 117.42 1qat s PHE 287 Ca 0.07 -1.24 -0.28 0.00 0.33 0.00 0.00 56.93 55.81 1qat s PHE 287 Cb 0.10 -2.96 -0.15 0.00 -1.31 0.00 0.00 43.02 38.70 1qat s PHE 287 CO 0.38 -0.80 1.73 0.45 1.83 0.00 0.00 175.22 178.81 1qat n SER 288 N 5.03 0.41 -0.10 6.13 2.88 0.18 -4.81 113.62 123.33 1qat n SER 288 Ca -0.11 0.35 0.08 0.00 -1.33 0.00 0.00 58.87 57.86 1qat n SER 288 Cb 0.44 -0.66 0.43 0.00 -0.75 0.00 0.00 64.21 63.66 1qat n SER 288 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1qat h LEU 289 N 7.49 0.50 -2.41 2.46 5.85 -1.87 -0.44 115.31 126.89 1qat h LEU 289 Ca -0.06 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.67 1qat h LEU 289 Cb 1.00 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.93 1qat h LEU 289 CO 0.89 0.32 0.19 0.00 -0.34 0.00 0.00 178.44 179.50 1qat h ALA 290 N 1.67 1.23 0.00 1.25 0.00 -1.94 0.26 119.26 121.74 1qat h ALA 290 Ca 0.26 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1qat h ALA 290 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1qat h ALA 290 CO -0.08 -0.20 -0.89 0.72 0.00 0.00 0.00 179.25 178.80 1qat n HIS 291 N -3.02 0.15 0.39 0.00 8.25 -0.18 -3.93 115.22 116.88 1qat n HIS 291 Ca -0.02 0.04 0.04 0.00 -0.26 0.00 0.00 57.72 57.53 1qat n HIS 291 Cb 0.26 -0.31 0.22 0.00 1.12 0.00 0.00 29.99 31.27 1qat n HIS 291 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1qat n ARG 292 N -1.76 0.09 -4.33 -0.41 5.12 0.91 -0.04 116.66 116.24 1qat n ARG 292 Ca 0.03 0.25 -0.23 0.00 -1.93 0.00 0.00 57.85 55.96 1qat n ARG 292 Cb 0.39 -1.50 -0.08 0.00 -1.16 0.00 0.00 32.46 30.11 1qat n ARG 292 CO 0.00 0.00 0.00 -0.98 -1.93 0.00 0.00 177.63 174.72 1qat s ARG 293 N -2.70 2.17 0.16 5.56 1.70 -1.25 -3.77 118.95 120.81 1qat s ARG 293 Ca 0.07 -1.48 -0.31 0.00 -0.47 0.00 0.00 55.73 53.55 1qat s ARG 293 Cb 0.06 -2.09 -0.08 0.00 -0.57 0.00 0.00 34.95 32.27 1qat s ARG 293 CO 0.15 0.36 1.34 0.08 -1.08 0.00 0.00 175.30 176.15 1qat s VAL 294 N -2.33 3.25 0.00 4.99 1.01 -1.25 -1.52 120.40 124.55 1qat s VAL 294 Ca 0.31 0.97 0.00 0.00 0.00 0.00 0.00 61.98 63.26 1qat s VAL 294 Cb -0.06 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.70 1qat s VAL 294 CO 0.19 0.12 0.03 0.00 0.00 0.00 0.00 175.10 175.44 1qat n TYR 295 N 3.17 0.00 -3.15 5.22 4.11 -1.26 -4.90 117.16 120.34 1qat n TYR 295 Ca 0.08 0.00 -0.21 0.00 -0.00 0.00 0.00 57.90 57.77 1qat n TYR 295 Cb 0.43 0.03 0.01 0.00 -0.00 0.00 0.00 39.34 39.80 1qat n TYR 295 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.86 176.21 1qat s GLN 296 N 0.00 3.03 0.14 -3.48 -0.21 -1.26 -5.04 119.66 112.83 1qat s GLN 296 Ca 0.00 -0.76 -0.31 0.00 0.02 0.00 0.00 55.36 54.31 1qat s GLN 296 Cb 0.00 -2.67 -0.09 0.00 1.00 0.00 0.00 33.01 31.25 1qat s GLN 296 CO 0.00 -0.18 1.58 0.34 -2.12 0.00 0.00 175.29 174.91 1qat s ASP 297 N -4.23 6.60 -0.14 5.90 -1.08 -1.26 -4.87 116.67 117.60 1qat s ASP 297 Ca 0.48 2.57 0.18 0.00 -0.52 0.00 0.00 52.55 55.26 1qat s ASP 297 Cb -0.10 -2.59 0.35 0.00 -1.46 0.00 0.00 42.92 39.13 1qat s ASP 297 CO 0.35 -0.83 1.22 0.23 0.52 0.00 0.00 175.17 176.66 1qat n MET 298 N 4.39 1.69 -0.24 4.34 2.81 -1.26 -4.61 117.12 124.24 1qat n MET 298 Ca 0.14 -2.66 0.09 0.00 -1.81 0.00 0.00 57.70 53.46 1qat n MET 298 Cb 0.39 -1.59 0.19 0.00 -0.71 0.00 0.00 33.22 31.50 1qat n MET 298 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1qat n ASP 299 N -1.20 3.07 -4.94 7.83 8.00 -1.26 -2.46 116.55 125.59 1qat n ASP 299 Ca 0.17 -3.01 -0.25 0.00 0.71 0.00 0.00 54.79 52.42 1qat n ASP 299 Cb 0.71 -0.47 -0.01 0.00 -0.02 0.00 0.00 41.12 41.32 1qat n ASP 299 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1qat s GLN 300 N -2.77 3.51 0.64 -1.24 -1.52 -1.26 -4.82 119.66 112.19 1qat s GLN 300 Ca 0.36 -0.28 -0.18 0.00 -1.95 0.00 0.00 55.36 53.32 1qat s GLN 300 Cb 0.30 -2.66 -0.01 0.00 -0.22 0.00 0.00 33.01 30.42 1qat s GLN 300 CO 0.06 0.16 1.21 -2.14 -0.25 0.00 0.00 175.29 174.33 1qat s PRO 301 N -4.19 2.72 0.43 2.91 0.02 -1.26 -4.11 135.00 131.53 1qat s PRO 301 Ca 0.41 1.81 0.22 0.00 0.02 0.00 0.00 61.00 63.45 1qat s PRO 301 Cb -0.10 -1.90 1.18 0.00 0.02 0.00 0.00 34.50 33.71 1qat s PRO 301 CO 0.35 -1.40 1.81 -0.07 -0.33 0.00 0.00 177.00 177.36 1qat h LEU 302 N 0.52 0.34 0.00 -5.54 3.38 -1.55 0.31 115.31 112.78 1qat h LEU 302 Ca -0.50 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1qat h LEU 302 Cb 1.30 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.05 1qat h LEU 302 CO 0.54 0.09 0.00 -1.54 0.09 0.00 0.00 178.44 177.62 1qat n SER 303 N -4.51 0.00 -0.99 -0.43 3.41 -1.26 -1.72 113.62 108.12 1qat n SER 303 Ca 0.23 -0.34 0.10 0.00 -0.26 0.00 0.00 58.87 58.60 1qat n SER 303 Cb 0.88 -0.09 0.20 0.00 -0.26 0.00 0.00 64.21 64.94 1qat n SER 303 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1qat n HIS 304 N -1.09 0.51 -4.44 7.33 8.25 0.11 -4.45 115.22 121.45 1qat n HIS 304 Ca 0.11 -0.32 -0.24 0.00 -0.26 0.00 0.00 57.72 57.01 1qat n HIS 304 Cb 0.08 -0.01 -0.10 0.00 1.12 0.00 0.00 29.99 31.08 1qat n HIS 304 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 1qat s TYR 305 N -1.23 2.20 -0.42 4.41 1.51 -0.70 -1.93 117.35 121.19 1qat s TYR 305 Ca 0.34 -0.37 -0.13 0.00 -1.01 0.00 0.00 57.07 55.90 1qat s TYR 305 Cb 0.19 -1.00 0.05 0.00 -0.11 0.00 0.00 41.96 41.09 1qat s TYR 305 CO 0.26 0.61 0.30 -0.51 -1.11 0.00 0.00 175.55 175.10 1qat s LEU 306 N -3.26 5.18 0.07 -1.29 1.43 -0.31 -4.64 118.68 115.86 1qat s LEU 306 Ca 0.26 -1.17 -0.27 0.00 -1.03 0.00 0.00 54.13 51.92 1qat s LEU 306 Cb -0.05 -2.10 -0.05 0.00 0.03 0.00 0.00 46.19 44.01 1qat s LEU 306 CO 0.12 -0.51 0.85 -0.69 0.23 0.00 0.00 176.35 176.35 1qat s VAL 307 N 1.59 4.64 -0.36 -1.59 1.01 -0.60 -2.46 120.40 122.62 1qat s VAL 307 Ca 0.03 1.82 -0.28 0.00 0.00 0.00 0.00 61.98 63.55 1qat s VAL 307 Cb -0.21 -4.20 -0.01 0.00 0.00 0.00 0.00 36.38 31.95 1qat s VAL 307 CO 0.07 0.34 1.68 -0.55 0.00 0.00 0.00 175.10 176.63 1qat s SER 308 N 0.00 6.01 -0.07 3.32 0.15 -0.38 -4.41 113.70 118.32 1qat s SER 308 Ca 0.42 1.12 0.04 0.00 0.70 0.00 0.00 55.95 58.23 1qat s SER 308 Cb -0.22 -2.53 -0.02 0.00 -1.71 0.00 0.00 66.02 61.54 1qat s SER 308 CO 0.26 -1.64 -0.17 -0.44 1.20 0.00 0.00 173.24 172.44 1qat s SER 309 N 5.47 3.75 0.07 5.45 0.01 -1.26 -0.70 113.70 126.50 1qat s SER 309 Ca 0.74 -0.31 0.04 0.00 1.31 0.00 0.00 55.95 57.72 1qat s SER 309 Cb -0.19 -0.98 -0.04 0.00 0.21 0.00 0.00 66.02 65.01 1qat s SER 309 CO 0.33 0.28 0.02 -0.55 0.41 0.00 0.00 173.24 173.73 1qat s SER 310 N -0.35 5.14 -0.11 2.44 0.15 -0.87 -1.70 113.70 118.39 1qat s SER 310 Ca 0.03 -0.12 0.02 0.00 0.70 0.00 0.00 55.95 56.59 1qat s SER 310 Cb -0.12 -1.28 0.01 0.00 -1.71 0.00 0.00 66.02 62.92 1qat s SER 310 CO 0.02 0.19 -0.19 -2.28 1.20 0.00 0.00 173.24 172.19 1qat s HIS 311 N -1.29 2.26 -1.33 3.44 5.04 -0.72 -4.42 115.29 118.27 1qat s HIS 311 Ca 0.25 -1.06 -0.00 0.00 -1.54 0.00 0.00 55.06 52.71 1qat s HIS 311 Cb -0.12 -1.57 -0.00 0.00 0.04 0.00 0.00 32.58 30.93 1qat s HIS 311 CO 0.18 -0.50 0.63 0.09 -2.34 0.00 0.00 174.74 172.80 1qat n ASN 312 N 4.02 -1.04 -0.35 9.88 4.13 -1.26 -4.59 115.26 126.05 1qat n ASN 312 Ca -0.20 -0.87 0.25 0.00 1.68 0.00 0.00 54.58 55.44 1qat n ASN 312 Cb 0.52 -3.80 0.50 0.00 -1.54 0.00 0.00 39.78 35.45 1qat n ASN 312 CO 0.00 0.00 0.00 0.74 0.28 0.00 0.00 177.26 178.28 1qat h THR 313 N -1.85 0.34 -0.95 3.41 2.02 -1.83 0.99 112.91 115.03 1qat h THR 313 Ca -0.62 -0.11 0.18 0.00 0.77 0.00 0.00 66.41 66.63 1qat h THR 313 Cb 1.36 -0.02 -0.08 0.00 -1.74 0.00 0.00 68.15 67.66 1qat h THR 313 CO 0.58 0.06 0.61 0.10 0.37 0.00 0.00 175.52 177.23 1qat h TYR 314 N 0.33 0.85 -3.19 3.16 -0.00 -1.84 -3.38 116.97 112.90 1qat h TYR 314 Ca 0.71 0.03 -0.53 0.00 -0.00 0.00 0.00 58.73 58.95 1qat h TYR 314 Cb 1.72 -0.26 0.04 0.00 -0.00 0.00 0.00 36.73 38.23 1qat h TYR 314 CO -0.01 0.24 0.74 -0.51 -0.00 0.00 0.00 178.16 178.62 1qat s LEU 315 N -9.90 4.39 -0.00 0.10 1.43 0.34 -0.94 118.68 114.10 1qat s LEU 315 Ca -0.10 2.49 0.17 0.00 -1.03 0.00 0.00 54.13 55.67 1qat s LEU 315 Cb 0.23 -3.60 -0.21 0.00 0.03 0.00 0.00 46.19 42.64 1qat s LEU 315 CO 0.79 -0.66 0.68 0.18 0.23 0.00 0.00 176.35 177.58 1qat n LEU 316 N 3.10 0.68 0.00 1.79 4.77 -1.06 -4.76 117.00 121.52 1qat n LEU 316 Ca 0.09 -0.41 0.00 0.00 -0.03 0.00 0.00 56.01 55.66 1qat n LEU 316 Cb 0.41 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 1qat n LEU 316 CO 0.59 0.17 0.00 -0.62 -1.33 0.00 0.00 177.39 176.20 1qat n GLU 317 N -1.54 0.00 -2.12 3.23 1.02 -1.26 -4.88 120.64 115.09 1qat n GLU 317 Ca 0.02 0.00 -0.28 0.00 -0.02 0.00 0.00 57.16 56.88 1qat n GLU 317 Cb 0.31 0.00 0.14 0.00 -0.02 0.00 0.00 31.44 31.87 1qat n GLU 317 CO 0.00 0.00 0.00 0.16 1.18 0.00 0.00 177.13 178.47 1qat s ASP 318 N 1.02 3.78 0.00 1.62 -4.77 -1.26 -4.59 116.67 112.47 1qat s ASP 318 Ca 0.00 0.19 0.25 0.00 -3.30 0.00 0.00 52.55 49.69 1qat s ASP 318 Cb 0.00 -0.44 0.47 0.00 -1.09 0.00 0.00 42.92 41.86 1qat s ASP 318 CO 0.00 -2.29 1.39 0.00 0.70 0.00 0.00 175.17 174.97 1qat n GLN 319 N -3.38 0.95 -0.05 2.11 1.13 1.00 -4.01 117.38 115.12 1qat n GLN 319 Ca 0.13 -0.66 -0.09 0.00 -1.94 0.00 0.00 57.00 54.45 1qat n GLN 319 Cb 0.60 -1.49 -0.05 0.00 0.11 0.00 0.00 30.24 29.42 1qat n GLN 319 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1qat n LEU 320 N -0.44 2.35 0.00 1.08 4.77 -1.26 -4.81 117.00 118.68 1qat n LEU 320 Ca 0.11 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 1qat n LEU 320 Cb 0.39 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 1qat n LEU 320 CO 0.27 0.55 0.19 0.35 -1.33 0.00 0.00 177.39 177.42 1qat n THR 321 N -3.01 0.15 -1.44 -5.08 -2.24 -1.26 -0.08 114.28 101.32 1qat n THR 321 Ca -0.19 -0.27 -0.29 0.00 -2.27 0.00 0.00 64.05 61.03 1qat n THR 321 Cb 0.68 1.31 0.15 0.00 -2.10 0.00 0.00 70.33 70.37 1qat n THR 321 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1qat s GLY 322 N -0.15 1.58 0.60 3.38 0.00 -1.26 -4.45 107.32 107.02 1qat s GLY 322 Ca 0.00 -0.52 -0.13 0.00 0.00 0.00 0.00 44.72 44.06 1qat s GLY 322 CO 0.00 0.07 1.03 2.56 0.00 0.00 0.00 173.10 176.75 1qat s PRO 323 N -5.22 3.53 0.00 2.90 0.04 -1.26 -0.68 135.00 134.32 1qat s PRO 323 Ca 0.65 0.91 0.07 0.00 0.04 0.00 0.00 61.00 62.67 1qat s PRO 323 Cb -0.15 -2.07 -0.02 0.00 0.04 0.00 0.00 34.50 32.30 1qat s PRO 323 CO 0.54 -0.62 -0.22 -1.12 0.04 0.00 0.00 177.00 175.63 1qat s SER 324 N -3.59 2.54 -0.05 6.66 0.01 -1.25 -2.57 113.70 115.46 1qat s SER 324 Ca 0.58 -0.44 -0.29 0.00 1.31 0.00 0.00 55.95 57.11 1qat s SER 324 Cb -0.12 -0.26 0.06 0.00 0.21 0.00 0.00 66.02 65.91 1qat s SER 324 CO 0.45 0.23 0.63 -0.55 0.41 0.00 0.00 173.24 174.42 1qat s SER 325 N -0.74 -0.60 0.45 2.44 0.15 -0.11 -4.79 113.70 110.49 1qat s SER 325 Ca 0.08 0.64 0.22 0.00 0.70 0.00 0.00 55.95 57.59 1qat s SER 325 Cb -0.08 0.51 1.05 0.00 -1.71 0.00 0.00 66.02 65.78 1qat s SER 325 CO 0.00 -0.59 1.91 0.71 1.20 0.00 0.00 173.24 176.48 1qat h THR 326 N 3.12 0.79 -0.85 6.45 1.35 -1.96 -1.42 112.91 120.40 1qat h THR 326 Ca -0.27 -0.98 0.19 0.00 -0.55 0.00 0.00 66.41 64.79 1qat h THR 326 Cb 1.14 1.60 -0.06 0.00 -1.73 0.00 0.00 68.15 69.10 1qat h THR 326 CO 0.39 0.24 0.56 -0.33 -0.25 0.00 0.00 175.52 176.13 1qat h GLU 327 N 0.00 0.38 -0.59 4.72 5.08 -1.94 0.12 114.58 122.35 1qat h GLU 327 Ca -0.00 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.28 1qat h GLU 327 Cb 0.58 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.72 1qat h GLU 327 CO 0.03 0.25 0.13 0.00 -1.00 0.00 0.00 179.01 178.43 1qat h ALA 328 N 1.62 1.13 0.01 3.43 0.00 -1.51 0.19 119.26 124.13 1qat h ALA 328 Ca 0.43 -0.22 -0.19 0.00 0.00 0.00 0.00 54.91 54.93 1qat h ALA 328 Cb 1.07 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1qat h ALA 328 CO -0.15 0.58 -0.88 1.88 0.00 0.00 0.00 179.25 180.69 1qat h TYR 329 N 0.88 0.15 0.22 0.00 -1.99 -0.94 -2.56 116.97 112.73 1qat h TYR 329 Ca 0.19 -0.09 -0.01 0.00 2.00 0.00 0.00 58.73 60.82 1qat h TYR 329 Cb 0.33 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 39.05 1qat h TYR 329 CO 0.02 0.92 -0.11 0.82 -0.00 0.00 0.00 178.16 179.82 1qat h ILE 330 N 0.05 0.82 -0.63 -2.88 2.04 -0.74 -1.07 117.51 115.10 1qat h ILE 330 Ca -0.03 -0.82 0.07 0.00 1.00 0.00 0.00 64.86 65.09 1qat h ILE 330 Cb 1.53 1.25 -0.04 0.00 -0.74 0.00 0.00 36.82 38.82 1qat h ILE 330 CO 0.13 0.17 0.42 0.03 0.00 0.00 0.00 178.15 178.89 1qat h ARG 331 N -0.75 0.55 -0.07 2.37 3.08 -0.71 0.24 114.38 119.10 1qat h ARG 331 Ca -0.03 -0.03 -0.11 0.00 0.07 0.00 0.00 59.98 59.88 1qat h ARG 331 Cb 0.50 -0.12 0.01 0.00 0.08 0.00 0.00 29.97 30.43 1qat h ARG 331 CO 0.05 0.37 -0.38 0.00 -1.07 0.00 0.00 179.97 178.94 1qat h ALA 332 N 1.67 0.14 -0.24 0.04 0.00 -1.44 -2.58 119.26 116.83 1qat h ALA 332 Ca 0.28 -0.47 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 1qat h ALA 332 Cb 0.35 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1qat h ALA 332 CO -0.08 0.24 0.01 -0.07 0.00 0.00 0.00 179.25 179.35 1qat h LEU 333 N -0.10 0.33 -0.30 0.00 3.38 -0.47 -0.83 115.31 117.31 1qat h LEU 333 Ca -0.03 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1qat h LEU 333 Cb 1.04 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.70 1qat h LEU 333 CO 0.08 0.38 0.00 0.00 0.09 0.00 0.00 178.44 178.99 1qat n LYS 335 N -2.60 2.28 -1.00 0.00 5.02 -0.44 -4.87 118.16 116.56 1qat n LYS 335 Ca 0.04 -1.52 0.00 0.00 -2.02 0.00 0.00 58.31 54.81 1qat n LYS 335 Cb 0.41 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.93 1qat n LYS 335 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1qat n GLY 336 N 0.90 0.51 3.73 0.72 0.00 -0.61 -4.99 105.19 105.45 1qat n GLY 336 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1qat n GLY 336 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qat n ARG 338 N 1.85 1.09 -3.64 0.00 5.12 0.13 -4.55 116.66 116.65 1qat n ARG 338 Ca 0.08 0.05 -0.40 0.00 -1.93 0.00 0.00 57.85 55.65 1qat n ARG 338 Cb 0.36 -1.36 -0.10 0.00 -1.16 0.00 0.00 32.46 30.20 1qat n ARG 338 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1qat s LEU 340 N 1.40 3.81 -0.09 0.00 1.43 -0.24 -2.04 118.68 122.96 1qat s LEU 340 Ca 0.03 0.22 0.01 0.00 -1.03 0.00 0.00 54.13 53.36 1qat s LEU 340 Cb -0.22 -3.11 0.02 0.00 0.03 0.00 0.00 46.19 42.91 1qat s LEU 340 CO 0.02 -0.54 -0.09 -0.70 0.23 0.00 0.00 176.35 175.27 1qat s GLU 341 N -4.41 1.48 -0.30 1.70 2.12 -1.26 0.23 118.70 118.26 1qat s GLU 341 Ca 0.45 -0.28 0.02 0.00 0.36 0.00 0.00 54.97 55.52 1qat s GLU 341 Cb -0.10 -1.43 0.07 0.00 0.26 0.00 0.00 34.13 32.94 1qat s GLU 341 CO 0.36 -0.15 -0.03 -0.51 -0.54 0.00 0.00 175.26 174.40 1qat s LEU 342 N 1.27 4.02 -0.85 2.70 1.02 -0.42 -3.43 118.68 122.99 1qat s LEU 342 Ca -0.03 -1.63 -0.24 0.00 0.02 0.00 0.00 54.13 52.24 1qat s LEU 342 Cb -0.14 -1.62 0.05 0.00 0.02 0.00 0.00 46.19 44.51 1qat s LEU 342 CO -0.03 -0.28 1.28 -1.81 0.02 0.00 0.00 176.35 175.53 1qat s ASP 343 N 1.12 6.33 0.11 2.29 1.11 -1.26 -1.88 116.67 124.49 1qat s ASP 343 Ca -0.02 -1.05 -0.28 0.00 0.18 0.00 0.00 52.55 51.38 1qat s ASP 343 Cb -0.20 -2.53 -0.06 0.00 1.07 0.00 0.00 42.92 41.20 1qat s ASP 343 CO -0.05 -1.58 0.90 0.00 1.18 0.00 0.00 175.17 175.61 1qat s TRP 345 N -0.22 0.70 0.34 0.00 0.52 0.44 -1.69 118.94 119.03 1qat s TRP 345 Ca 0.43 -1.08 -0.28 0.00 0.02 0.00 0.00 56.10 55.19 1qat s TRP 345 Cb -0.23 -0.35 -0.10 0.00 -1.15 0.00 0.00 33.47 31.64 1qat s TRP 345 CO 0.28 -0.57 1.25 -0.51 0.02 0.00 0.00 176.95 177.42 1qat s ASP 346 N -3.02 6.76 0.31 2.95 1.01 -1.26 0.20 116.67 123.62 1qat s ASP 346 Ca 0.21 2.55 0.08 0.00 0.71 0.00 0.00 52.55 56.10 1qat s ASP 346 Cb 0.06 -2.64 -0.06 0.00 1.01 0.00 0.00 42.92 41.29 1qat s ASP 346 CO 0.00 -0.53 -0.08 -0.83 0.21 0.00 0.00 175.17 173.95 1qat s GLY 347 N -0.70 2.01 0.68 0.21 0.00 -1.04 -4.43 107.32 104.06 1qat s GLY 347 Ca 0.50 -2.00 -0.16 0.00 0.00 0.00 0.00 44.72 43.07 1qat s GLY 347 CO 0.48 -1.94 1.21 -4.14 0.00 0.00 0.00 173.10 168.71 1qat s PRO 348 N -3.67 2.46 -1.51 2.90 0.02 -1.26 -3.56 135.00 130.38 1qat s PRO 348 Ca 0.31 1.77 -0.13 0.00 0.02 0.00 0.00 61.00 62.97 1qat s PRO 348 Cb 0.03 -1.87 0.08 0.00 0.02 0.00 0.00 34.50 32.76 1qat s PRO 348 CO 0.14 -1.59 1.01 0.09 -0.33 0.00 0.00 177.00 176.32 1qat n ASN 349 N -2.32 -4.97 -3.59 2.53 5.03 -1.26 -3.21 115.26 107.48 1qat n ASN 349 Ca 0.13 -0.75 -0.23 0.00 0.87 0.00 0.00 54.58 54.61 1qat n ASN 349 Cb 0.50 -4.02 0.08 0.00 -1.02 0.00 0.00 39.78 35.32 1qat n ASN 349 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1qat n GLN 350 N -4.72 -7.23 -3.68 3.52 1.13 -1.23 -5.01 117.38 100.15 1qat n GLN 350 Ca 0.04 0.80 -0.26 0.00 -1.94 0.00 0.00 57.00 55.64 1qat n GLN 350 Cb 0.53 -5.81 -0.17 0.00 0.11 0.00 0.00 30.24 24.90 1qat n GLN 350 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 1qat s GLU 351 N -6.06 0.34 0.58 -1.09 0.41 -1.20 -4.97 118.70 106.71 1qat s GLU 351 Ca 0.40 -0.17 -0.20 0.00 -0.41 0.00 0.00 54.97 54.59 1qat s GLU 351 Cb -0.18 -1.78 -0.05 0.00 -1.78 0.00 0.00 34.13 30.34 1qat s GLU 351 CO 0.74 -0.60 1.15 -0.35 -0.49 0.00 0.00 175.26 175.71 1qat n PRO 352 N 5.18 1.22 -4.31 0.39 -0.04 -1.26 -2.50 135.00 133.67 1qat n PRO 352 Ca -0.08 0.46 -0.21 0.00 -0.04 0.00 0.00 63.50 63.63 1qat n PRO 352 Cb 0.48 -2.35 -0.11 0.00 -0.04 0.00 0.00 33.50 31.48 1qat n PRO 352 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1qat s ILE 353 N -1.40 1.73 -0.10 0.52 -4.36 0.13 -2.22 121.20 115.50 1qat s ILE 353 Ca 0.75 -1.85 -0.00 0.00 -0.26 0.00 0.00 60.65 59.29 1qat s ILE 353 Cb -0.42 -1.77 -0.03 0.00 1.25 0.00 0.00 42.46 41.49 1qat s ILE 353 CO 0.47 -0.31 -0.09 -0.63 0.24 0.00 0.00 174.94 174.63 1qat s ILE 354 N -1.98 3.52 -0.21 8.37 1.01 0.85 -0.42 121.20 132.34 1qat s ILE 354 Ca 0.14 -0.52 -0.36 0.00 0.00 0.00 0.00 60.65 59.90 1qat s ILE 354 Cb -0.06 -2.46 0.15 0.00 0.01 0.00 0.00 42.46 40.10 1qat s ILE 354 CO 0.06 0.56 1.41 -0.72 0.00 0.00 0.00 174.94 176.24 1qat s TYR 355 N -0.29 -0.01 -0.83 3.97 1.13 -1.14 -1.34 117.35 118.84 1qat s TYR 355 Ca 0.04 0.00 -0.24 0.00 -1.41 0.00 0.00 57.07 55.46 1qat s TYR 355 Cb -0.13 0.50 0.06 0.00 -1.10 0.00 0.00 41.96 41.29 1qat s TYR 355 CO 0.03 -0.02 1.25 -1.58 -2.51 0.00 0.00 175.55 172.72 1qat s HIS 356 N -2.04 2.54 0.07 -3.49 5.65 -1.26 -4.70 115.29 112.06 1qat s HIS 356 Ca 0.13 -0.55 -0.26 0.00 0.25 0.00 0.00 55.06 54.63 1qat s HIS 356 Cb 0.03 -4.54 -0.14 0.00 -1.18 0.00 0.00 32.58 26.75 1qat s HIS 356 CO -0.04 -1.88 0.61 0.41 -0.65 0.00 0.00 174.74 173.19 1qat n GLY 357 N 5.84 -0.70 2.80 1.59 0.00 -1.26 -3.10 105.19 110.36 1qat n GLY 357 Ca 0.13 0.42 -0.16 0.00 0.00 0.00 0.00 46.02 46.41 1qat n GLY 357 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1qat n TYR 358 N 0.61 -1.71 -4.04 1.61 4.01 -1.26 -5.02 117.16 111.35 1qat n TYR 358 Ca 0.14 0.54 -0.10 0.00 -0.16 0.00 0.00 57.90 58.33 1qat n TYR 358 Cb 0.12 -3.65 -0.07 0.00 -0.31 0.00 0.00 39.34 35.42 1qat n TYR 358 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1qat s THR 359 N -3.11 0.01 -1.05 -0.72 -4.23 -1.18 -5.04 115.64 100.33 1qat s THR 359 Ca 0.31 -1.56 0.03 0.00 -1.18 0.00 0.00 61.69 59.30 1qat s THR 359 Cb -0.14 -2.21 0.16 0.00 1.34 0.00 0.00 72.50 71.66 1qat s THR 359 CO 0.39 -0.06 0.82 0.49 -0.54 0.00 0.00 174.62 175.72 1qat n PHE 360 N -0.32 0.39 -2.25 3.99 3.72 0.89 -4.90 117.46 118.97 1qat n PHE 360 Ca -0.02 -0.14 -0.42 0.00 -0.05 0.00 0.00 57.45 56.83 1qat n PHE 360 Cb 0.63 -0.15 -0.03 0.00 -0.94 0.00 0.00 39.48 38.99 1qat n PHE 360 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1qat s THR 361 N -1.44 3.42 0.27 4.37 -4.23 -1.02 -4.49 115.64 112.52 1qat s THR 361 Ca 0.11 1.09 -0.27 0.00 -1.18 0.00 0.00 61.69 61.44 1qat s THR 361 Cb 0.08 -3.70 -0.15 0.00 1.34 0.00 0.00 72.50 70.07 1qat s THR 361 CO 0.04 0.12 0.71 -0.24 -0.54 0.00 0.00 174.62 174.71 1qat n SER 362 N 3.31 -0.21 -4.87 3.99 2.88 0.15 -4.67 113.62 114.19 1qat n SER 362 Ca 0.08 1.11 -0.33 0.00 -1.33 0.00 0.00 58.87 58.40 1qat n SER 362 Cb 0.43 -1.11 -0.05 0.00 -0.75 0.00 0.00 64.21 62.73 1qat n SER 362 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1qat s LYS 363 N -1.31 3.33 0.06 -1.46 1.02 -1.26 -3.78 119.74 116.35 1qat s LYS 363 Ca 0.61 -0.38 0.01 0.00 0.02 0.00 0.00 55.97 56.23 1qat s LYS 363 Cb -0.78 -3.03 -0.04 0.00 -0.52 0.00 0.00 37.83 33.47 1qat s LYS 363 CO 0.58 0.66 -0.05 0.96 -0.92 0.00 0.00 175.35 176.58 1qat s ILE 364 N -1.31 0.45 0.13 2.17 -4.36 -0.45 -4.93 121.20 112.91 1qat s ILE 364 Ca 0.27 -1.63 -0.30 0.00 -0.26 0.00 0.00 60.65 58.72 1qat s ILE 364 Cb -0.12 -1.28 -0.07 0.00 1.25 0.00 0.00 42.46 42.23 1qat s ILE 364 CO 0.18 -0.79 1.09 -0.76 0.24 0.00 0.00 174.94 174.90 1qat s LEU 365 N -2.57 4.46 0.24 0.37 1.43 -1.26 -0.10 118.68 121.24 1qat s LEU 365 Ca 0.03 2.00 -0.06 0.00 -1.03 0.00 0.00 54.13 55.08 1qat s LEU 365 Cb 0.02 -3.59 0.31 0.00 0.03 0.00 0.00 46.19 42.96 1qat s LEU 365 CO -0.05 -0.25 1.85 0.15 0.23 0.00 0.00 176.35 178.28 1qat h PHE 366 N 5.62 0.96 -0.45 0.29 3.04 -1.76 -1.20 116.94 123.44 1qat h PHE 366 Ca -0.43 0.03 -0.04 0.00 3.98 0.00 0.00 57.97 61.51 1qat h PHE 366 Cb 1.21 -0.31 -0.02 0.00 2.56 0.00 0.00 35.95 39.39 1qat h PHE 366 CO 0.64 0.49 0.14 0.00 -2.02 0.00 0.00 178.31 177.56 1qat h ASP 368 N 0.59 -0.11 -0.95 0.00 3.32 -1.82 -1.15 116.42 116.30 1qat h ASP 368 Ca 0.14 -0.01 0.18 0.00 0.02 0.00 0.00 57.03 57.37 1qat h ASP 368 Cb 0.27 0.03 -0.08 0.00 0.22 0.00 0.00 39.33 39.77 1qat h ASP 368 CO -0.00 -0.07 0.61 0.58 -1.72 0.00 0.00 179.24 178.64 1qat h VAL 369 N -0.14 0.73 -0.23 -1.35 2.07 -1.17 -1.12 116.25 115.03 1qat h VAL 369 Ca -0.01 -0.22 -0.20 0.00 0.82 0.00 0.00 66.70 67.08 1qat h VAL 369 Cb 0.11 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 29.92 1qat h VAL 369 CO 0.02 0.12 -0.64 -0.07 0.02 0.00 0.00 177.57 177.02 1qat h LEU 370 N 0.65 0.97 -0.93 2.57 3.38 -0.80 -1.85 115.31 119.31 1qat h LEU 370 Ca 0.51 -0.57 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1qat h LEU 370 Cb 0.94 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.37 1qat h LEU 370 CO -0.27 1.37 0.47 0.03 0.09 0.00 0.00 178.44 180.13 1qat h ARG 371 N 0.62 1.23 -0.20 1.13 3.08 -0.20 0.30 114.38 120.34 1qat h ARG 371 Ca -0.01 -0.15 -0.00 0.00 0.07 0.00 0.00 59.98 59.88 1qat h ARG 371 Cb 1.26 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 31.07 1qat h ARG 371 CO 0.14 0.90 0.11 0.00 -1.07 0.00 0.00 179.97 180.06 1qat h ALA 372 N 1.28 0.25 -0.64 0.04 0.00 -1.19 -2.02 119.26 116.99 1qat h ALA 372 Ca 0.31 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 1qat h ALA 372 Cb 0.04 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1qat h ALA 372 CO -0.05 -0.23 0.15 0.82 0.00 0.00 0.00 179.25 179.94 1qat h ILE 373 N 0.23 1.25 0.41 0.00 2.04 -0.88 -2.39 117.51 118.17 1qat h ILE 373 Ca 0.07 -0.92 -0.01 0.00 1.00 0.00 0.00 64.86 65.00 1qat h ILE 373 Cb 0.04 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 1qat h ILE 373 CO -0.01 0.35 -0.29 -0.09 0.00 0.00 0.00 178.15 178.11 1qat h ARG 374 N 0.96 -0.65 -0.30 2.37 2.43 -0.66 0.62 114.38 119.15 1qat h ARG 374 Ca 0.20 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.42 1qat h ARG 374 Cb 0.35 0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.03 1qat h ARG 374 CO 0.00 -0.44 0.19 -0.44 -1.51 0.00 0.00 179.97 177.78 1qat h ASP 375 N -0.68 0.34 -0.00 -3.80 3.32 -1.27 -3.25 116.42 111.09 1qat h ASP 375 Ca -0.04 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.00 1qat h ASP 375 Cb 0.58 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.04 1qat h ASP 375 CO 0.02 0.25 -0.09 -1.22 -1.72 0.00 0.00 179.24 176.47 1qat n TYR 376 N -4.88 0.00 -0.27 4.55 4.01 -0.91 -4.59 117.16 115.07 1qat n TYR 376 Ca -0.01 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.77 1qat n TYR 376 Cb 0.03 -0.01 0.19 0.00 -0.31 0.00 0.00 39.34 39.24 1qat n TYR 376 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1qat h ALA 377 N 4.41 1.14 -0.08 -0.72 0.00 -0.90 -3.08 119.26 120.02 1qat h ALA 377 Ca 0.00 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1qat h ALA 377 Cb 0.79 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1qat h ALA 377 CO 0.00 -0.10 -0.04 1.19 0.00 0.00 0.00 179.25 180.30 1qat n PHE 378 N -4.89 0.30 -0.11 0.00 3.72 -1.26 -4.65 117.46 110.57 1qat n PHE 378 Ca 0.15 -1.04 -0.10 0.00 -0.05 0.00 0.00 57.45 56.41 1qat n PHE 378 Cb 0.38 -0.22 -0.02 0.00 -0.94 0.00 0.00 39.48 38.68 1qat n PHE 378 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1qat h LYS 379 N 0.60 0.52 -0.00 -1.08 1.79 -1.80 -3.21 116.57 113.39 1qat h LYS 379 Ca 0.01 -0.12 0.00 0.00 -2.18 0.00 0.00 60.65 58.36 1qat h LYS 379 Cb 1.15 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.73 1qat h LYS 379 CO 0.08 0.58 -0.70 0.00 -1.08 0.00 0.00 179.45 178.33 1qat n ALA 380 N -2.32 4.07 -3.56 3.86 0.00 -1.26 -4.98 120.51 116.32 1qat n ALA 380 Ca -0.02 -0.54 -0.14 0.00 0.00 0.00 0.00 53.44 52.75 1qat n ALA 380 Cb 0.19 -0.89 -0.06 0.00 0.00 0.00 0.00 19.45 18.69 1qat n ALA 380 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1qat s SER 381 N -2.83 -0.52 0.02 0.00 0.15 -1.21 -4.72 113.70 104.58 1qat s SER 381 Ca 0.13 0.62 0.25 0.00 0.70 0.00 0.00 55.95 57.65 1qat s SER 381 Cb 0.17 0.50 0.45 0.00 -1.71 0.00 0.00 66.02 65.43 1qat s SER 381 CO 0.73 -0.45 1.37 -0.81 1.20 0.00 0.00 173.24 175.29 1qat n PRO 382 N 0.99 0.06 -2.40 5.44 -0.04 -1.26 -4.17 135.00 133.61 1qat n PRO 382 Ca -0.14 0.01 -0.35 0.00 -0.04 0.00 0.00 63.50 62.97 1qat n PRO 382 Cb 0.57 -1.53 -0.02 0.00 -0.04 0.00 0.00 33.50 32.48 1qat n PRO 382 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1qat s TYR 383 N -3.03 2.91 0.23 0.54 2.02 -1.26 0.12 117.35 118.88 1qat s TYR 383 Ca 0.10 1.57 -0.31 0.00 -0.37 0.00 0.00 57.07 58.06 1qat s TYR 383 Cb 0.17 -3.20 -0.15 0.00 -0.40 0.00 0.00 41.96 38.38 1qat s TYR 383 CO 0.71 -1.16 1.12 -0.35 -1.57 0.00 0.00 175.55 174.31 1qat n PRO 384 N -0.85 1.35 -4.52 -1.71 -0.04 -1.23 -4.58 135.00 123.42 1qat n PRO 384 Ca 0.09 0.48 -0.34 0.00 -0.04 0.00 0.00 63.50 63.69 1qat n PRO 384 Cb 0.51 -1.94 -0.12 0.00 -0.04 0.00 0.00 33.50 31.91 1qat n PRO 384 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1qat s VAL 385 N -0.55 3.76 -0.25 0.52 -7.23 -1.05 -4.87 120.40 110.73 1qat s VAL 385 Ca 0.66 -0.43 -0.09 0.00 -1.81 0.00 0.00 61.98 60.32 1qat s VAL 385 Cb -0.76 -2.60 -0.04 0.00 0.56 0.00 0.00 36.38 33.54 1qat s VAL 385 CO 0.55 0.54 0.12 -0.63 -0.31 0.00 0.00 175.10 175.38 1qat s ILE 386 N -0.17 4.81 -0.53 -0.62 1.01 0.55 -1.97 121.20 124.28 1qat s ILE 386 Ca 0.02 -0.00 -0.18 0.00 0.00 0.00 0.00 60.65 60.49 1qat s ILE 386 Cb -0.13 -3.26 0.08 0.00 0.01 0.00 0.00 42.46 39.16 1qat s ILE 386 CO 0.03 0.32 0.61 -0.76 0.00 0.00 0.00 174.94 175.13 1qat s LEU 387 N 1.51 5.30 -0.19 2.97 1.43 -0.19 -1.08 118.68 128.43 1qat s LEU 387 Ca 0.06 -1.22 -0.29 0.00 -1.03 0.00 0.00 54.13 51.65 1qat s LEU 387 Cb -0.15 -2.34 -0.01 0.00 0.03 0.00 0.00 46.19 43.72 1qat s LEU 387 CO 0.06 -0.93 1.26 -0.55 0.23 0.00 0.00 176.35 176.42 1qat s SER 388 N 3.07 6.91 -0.13 2.29 0.15 0.14 -1.17 113.70 124.94 1qat s SER 388 Ca 0.11 1.60 -0.06 0.00 0.70 0.00 0.00 55.95 58.30 1qat s SER 388 Cb -0.22 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.51 1qat s SER 388 CO 0.08 -0.81 0.10 -0.76 1.20 0.00 0.00 173.24 173.05 1qat s LEU 389 N 3.63 4.11 -0.53 3.45 1.43 -0.34 -1.30 118.68 129.14 1qat s LEU 389 Ca 0.54 0.31 0.04 0.00 -1.03 0.00 0.00 54.13 53.99 1qat s LEU 389 Cb -0.21 -2.01 0.14 0.00 0.03 0.00 0.00 46.19 44.15 1qat s LEU 389 CO 0.15 0.34 0.29 -0.70 0.23 0.00 0.00 176.35 176.66 1qat s GLU 390 N -0.59 1.88 0.08 1.70 2.12 -0.79 -4.59 118.70 118.52 1qat s GLU 390 Ca 0.12 -2.58 -0.30 0.00 0.36 0.00 0.00 54.97 52.57 1qat s GLU 390 Cb -0.12 -3.09 -0.05 0.00 0.26 0.00 0.00 34.13 31.13 1qat s GLU 390 CO 0.02 -1.15 0.99 1.21 -0.54 0.00 0.00 175.26 175.79 1qat s ASN 391 N -0.30 7.43 0.00 -1.70 3.04 -1.26 -0.34 114.94 121.80 1qat s ASN 391 Ca 0.18 1.79 0.00 0.00 0.04 0.00 0.00 52.86 54.87 1qat s ASN 391 Cb -0.22 -2.58 0.00 0.00 -1.54 0.00 0.00 41.25 36.90 1qat s ASN 391 CO -0.02 -0.15 0.00 1.41 -3.04 0.00 0.00 177.10 175.30 1qat n HIS 392 N 3.10 0.00 -1.01 0.43 8.25 -0.69 -4.96 115.22 120.34 1qat n HIS 392 Ca 0.04 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.16 1qat n HIS 392 Cb 0.49 0.00 0.13 0.00 1.12 0.00 0.00 29.99 31.73 1qat n HIS 392 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1qat s SER 394 N -2.14 5.23 0.30 0.00 1.04 -1.26 -4.69 113.70 112.17 1qat s SER 394 Ca 0.70 1.35 0.02 0.00 0.48 0.00 0.00 55.95 58.50 1qat s SER 394 Cb -0.28 -2.18 0.59 0.00 0.10 0.00 0.00 66.02 64.25 1qat s SER 394 CO 0.54 -1.50 1.85 -0.07 0.98 0.00 0.00 173.24 175.04 1qat h LEU 395 N -0.76 0.89 -0.89 2.42 3.38 -1.95 0.67 115.31 119.06 1qat h LEU 395 Ca -0.45 0.04 -0.12 0.00 0.09 0.00 0.00 57.88 57.44 1qat h LEU 395 Cb 1.24 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.83 1qat h LEU 395 CO 0.60 0.48 -0.54 -0.08 0.09 0.00 0.00 178.44 179.00 1qat h GLU 396 N 0.96 0.05 0.00 1.13 4.57 -1.99 -0.52 114.58 118.78 1qat h GLU 396 Ca 0.48 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.63 1qat h GLU 396 Cb 0.49 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.08 1qat h GLU 396 CO -0.24 0.57 -0.46 1.96 -1.18 0.00 0.00 179.01 179.66 1qat h GLN 397 N 0.04 0.00 -0.09 1.92 4.20 -1.47 -2.79 115.11 116.92 1qat h GLN 397 Ca -0.00 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.52 1qat h GLN 397 Cb 0.96 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.74 1qat h GLN 397 CO 0.07 0.00 -0.71 1.96 -0.67 0.00 0.00 178.83 179.48 1qat h GLN 398 N 0.00 0.44 -0.38 1.46 4.20 0.75 -1.24 115.11 120.33 1qat h GLN 398 Ca 0.00 -0.35 -0.07 0.00 0.06 0.00 0.00 58.65 58.30 1qat h GLN 398 Cb 0.96 0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.79 1qat h GLN 398 CO 0.00 0.98 -0.04 0.00 -0.67 0.00 0.00 178.83 179.10 1qat h ARG 399 N 0.30 0.63 0.01 1.46 3.08 -1.03 -1.20 114.38 117.62 1qat h ARG 399 Ca -0.03 -0.17 -0.00 0.00 0.07 0.00 0.00 59.98 59.86 1qat h ARG 399 Cb 1.28 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.26 1qat h ARG 399 CO 0.12 0.68 -0.00 0.28 -1.07 0.00 0.00 179.97 179.98 1qat h VAL 400 N 0.59 1.21 -0.63 2.04 2.07 -1.18 -1.60 116.25 118.75 1qat h VAL 400 Ca 0.12 -0.66 0.13 0.00 0.82 0.00 0.00 66.70 67.10 1qat h VAL 400 Cb 0.44 1.66 -0.10 0.00 -1.52 0.00 0.00 31.29 31.77 1qat h VAL 400 CO 0.02 0.17 0.11 0.24 0.02 0.00 0.00 177.57 178.13 1qat h MET 401 N -0.29 0.22 -0.50 1.57 2.86 -0.94 0.11 114.93 117.96 1qat h MET 401 Ca -0.00 -0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.59 1qat h MET 401 Cb 0.29 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.87 1qat h MET 401 CO 0.00 0.15 0.16 0.00 1.06 0.00 0.00 176.91 178.28 1qat h ALA 402 N 1.53 1.35 -0.16 6.32 0.00 -1.08 -0.43 119.26 126.79 1qat h ALA 402 Ca 0.34 -0.16 -0.19 0.00 0.00 0.00 0.00 54.91 54.90 1qat h ALA 402 Cb 0.54 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1qat h ALA 402 CO -0.46 0.48 -0.68 0.00 0.00 0.00 0.00 179.25 178.59 1qat h ARG 403 N 0.72 0.63 -0.28 0.00 2.47 0.15 -2.60 114.38 115.47 1qat h ARG 403 Ca 0.17 -0.47 -0.15 0.00 -1.26 0.00 0.00 59.98 58.27 1qat h ARG 403 Cb 0.20 0.08 -0.00 0.00 -1.65 0.00 0.00 29.97 28.60 1qat h ARG 403 CO -0.01 1.09 -0.42 0.45 0.56 0.00 0.00 179.97 181.64 1qat h HIS 404 N 0.45 0.96 0.63 3.04 3.86 -0.87 -0.40 115.15 122.82 1qat h HIS 404 Ca -0.02 -0.32 -0.02 0.00 -1.16 0.00 0.00 60.37 58.84 1qat h HIS 404 Cb 1.27 -0.19 -0.01 0.00 1.06 0.00 0.00 27.41 29.54 1qat h HIS 404 CO 0.06 1.12 -0.42 -0.07 0.86 0.00 0.00 177.93 179.48 1qat h LEU 405 N 0.53 -1.07 -1.22 2.43 3.38 -1.08 0.51 115.31 118.78 1qat h LEU 405 Ca 0.03 0.07 -0.08 0.00 0.09 0.00 0.00 57.88 57.98 1qat h LEU 405 Cb 1.02 0.32 -0.01 0.00 0.09 0.00 0.00 40.66 42.08 1qat h LEU 405 CO 0.10 -0.63 -0.39 0.03 0.09 0.00 0.00 178.44 177.64 1qat h ARG 406 N -1.00 0.00 0.02 1.13 3.08 -1.53 -0.67 114.38 115.42 1qat h ARG 406 Ca -0.08 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.97 1qat h ARG 406 Cb 0.82 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.87 1qat h ARG 406 CO 0.06 0.39 -0.01 0.00 -1.07 0.00 0.00 179.97 179.33 1qat h ALA 407 N 1.61 -0.03 0.12 0.04 0.00 -0.84 -2.59 119.26 117.57 1qat h ALA 407 Ca -0.00 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 1qat h ALA 407 Cb 0.69 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1qat h ALA 407 CO 0.05 -0.07 -0.06 0.82 0.00 0.00 0.00 179.25 180.00 1qat h ILE 408 N -0.93 1.05 -0.46 0.00 2.04 0.00 -3.33 117.51 115.87 1qat h ILE 408 Ca -0.00 -1.21 -0.13 0.00 1.00 0.00 0.00 64.86 64.51 1qat h ILE 408 Cb 0.71 1.74 -0.01 0.00 -0.74 0.00 0.00 36.82 38.52 1qat h ILE 408 CO 0.01 0.27 -0.23 -0.07 0.00 0.00 0.00 178.15 178.12 1qat h LEU 409 N -0.78 0.99 0.00 1.44 3.38 -1.20 -3.48 115.31 115.66 1qat h LEU 409 Ca -0.02 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.57 1qat h LEU 409 Cb 0.55 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1qat h LEU 409 CO 0.03 1.17 0.00 0.61 0.09 0.00 0.00 178.44 180.34 1qat n GLY 410 N -0.10 2.04 0.47 0.83 0.00 -0.98 -2.98 105.19 104.47 1qat n GLY 410 Ca -0.00 -0.49 0.28 0.00 0.00 0.00 0.00 46.02 45.81 1qat n GLY 410 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1qat h PRO 411 N 0.00 0.00 -0.43 1.61 0.13 -1.93 0.19 132.00 131.57 1qat h PRO 411 Ca 0.00 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 65.19 1qat h PRO 411 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 1qat h PRO 411 CO 0.00 0.00 0.29 0.82 -0.23 0.00 0.00 178.00 178.88 1qat h ILE 412 N 0.00 0.95 -3.99 -3.56 2.04 -1.82 -3.43 117.51 107.71 1qat h ILE 412 Ca 0.39 -0.11 -0.50 0.00 1.00 0.00 0.00 64.86 65.64 1qat h ILE 412 Cb 1.80 0.60 0.06 0.00 -0.74 0.00 0.00 36.82 38.53 1qat h ILE 412 CO -0.00 0.06 0.48 -0.22 0.00 0.00 0.00 178.15 178.47 1qat s LEU 413 N -9.26 4.06 -0.70 1.44 2.96 0.05 -0.42 118.68 116.80 1qat s LEU 413 Ca -0.07 2.29 -0.15 0.00 -0.22 0.00 0.00 54.13 55.98 1qat s LEU 413 Cb 0.19 -4.19 0.18 0.00 0.50 0.00 0.00 46.19 42.86 1qat s LEU 413 CO 0.73 -0.83 0.66 -0.22 -1.32 0.00 0.00 176.35 175.36 1qat s LEU 414 N -2.89 6.48 0.20 -0.68 2.96 0.23 -4.79 118.68 120.20 1qat s LEU 414 Ca 0.62 -2.28 0.16 0.00 -0.22 0.00 0.00 54.13 52.42 1qat s LEU 414 Cb -0.28 -2.21 -0.00 0.00 0.50 0.00 0.00 46.19 44.19 1qat s LEU 414 CO 0.35 -0.71 1.20 -2.24 -1.32 0.00 0.00 176.35 173.63 1qat h ASP 415 N 8.29 0.00 -4.60 3.68 2.03 -1.89 -3.45 116.42 120.48 1qat h ASP 415 Ca -0.07 0.00 -0.32 0.00 -0.73 0.00 0.00 57.03 55.91 1qat h ASP 415 Cb 1.07 0.00 -0.22 0.00 -0.83 0.00 0.00 39.33 39.35 1qat h ASP 415 CO 0.89 0.47 -0.75 -1.10 -1.03 0.00 0.00 179.24 177.72 1qat s GLN 416 N -2.99 0.60 1.20 4.15 -1.52 -1.26 -4.73 119.66 115.11 1qat s GLN 416 Ca 0.01 -0.75 -0.13 0.00 -1.95 0.00 0.00 55.36 52.55 1qat s GLN 416 Cb 0.08 -0.45 0.30 0.00 -0.22 0.00 0.00 33.01 32.72 1qat s GLN 416 CO 0.77 0.09 1.02 -1.25 -0.25 0.00 0.00 175.29 175.67 1qat s PRO 417 N -1.45 -1.18 -0.08 2.91 0.04 -1.26 -5.01 135.00 128.97 1qat s PRO 417 Ca -0.07 0.86 -0.11 0.00 0.04 0.00 0.00 61.00 61.72 1qat s PRO 417 Cb -0.09 -1.52 -0.05 0.00 0.04 0.00 0.00 34.50 32.88 1qat s PRO 417 CO 0.01 -3.91 0.28 -0.51 0.04 0.00 0.00 177.00 172.91 1qat s LEU 418 N -7.34 4.39 0.11 -3.56 1.43 -1.26 -5.05 118.68 107.40 1qat s LEU 418 Ca 0.69 0.67 -0.31 0.00 -1.03 0.00 0.00 54.13 54.15 1qat s LEU 418 Cb -0.26 -2.33 -0.07 0.00 0.03 0.00 0.00 46.19 43.56 1qat s LEU 418 CO 0.66 0.31 1.29 -0.62 0.23 0.00 0.00 176.35 178.21 1qat s ASP 419 N -0.72 6.96 0.00 2.29 2.15 -1.26 -2.87 116.67 123.22 1qat s ASP 419 Ca 0.19 2.21 0.00 0.00 0.43 0.00 0.00 52.55 55.38 1qat s ASP 419 Cb -0.14 -2.59 0.00 0.00 -0.30 0.00 0.00 42.92 39.89 1qat s ASP 419 CO 0.08 -0.53 0.00 0.61 -0.17 0.00 0.00 175.17 175.15 1qat n GLY 420 N 3.09 2.91 3.54 2.66 0.00 -1.26 -4.99 105.19 111.13 1qat n GLY 420 Ca 0.09 -0.29 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 1qat n GLY 420 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qat s VAL 421 N -2.23 4.08 0.00 1.61 1.01 -1.14 -4.67 120.40 119.07 1qat s VAL 421 Ca 0.00 0.42 0.00 0.00 0.00 0.00 0.00 61.98 62.40 1qat s VAL 421 Cb 0.00 -4.72 0.00 0.00 0.00 0.00 0.00 36.38 31.66 1qat s VAL 421 CO 0.00 -1.44 0.00 0.35 0.00 0.00 0.00 175.10 174.01 1qat n THR 422 N 6.35 0.00 0.25 3.92 -2.24 -1.26 -4.72 114.28 116.58 1qat n THR 422 Ca 0.03 -0.02 0.03 0.00 -2.27 0.00 0.00 64.05 61.82 1qat n THR 422 Cb 0.48 0.38 -0.03 0.00 -2.10 0.00 0.00 70.33 69.06 1qat n THR 422 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1qat n THR 423 N -0.14 0.00 -3.61 4.28 5.66 -1.26 -5.05 114.28 114.16 1qat n THR 423 Ca 0.00 -0.35 -0.11 0.00 -3.05 0.00 0.00 64.05 60.54 1qat n THR 423 Cb 0.00 0.95 -0.06 0.00 -1.55 0.00 0.00 70.33 69.66 1qat n THR 423 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 1qat s SER 424 N -1.64 -0.50 0.25 1.09 0.01 -1.26 -4.88 113.70 106.77 1qat s SER 424 Ca 0.02 0.82 -0.25 0.00 1.31 0.00 0.00 55.95 57.85 1qat s SER 424 Cb 0.04 0.79 -0.16 0.00 0.21 0.00 0.00 66.02 66.90 1qat s SER 424 CO 0.24 -0.27 0.37 0.18 0.41 0.00 0.00 173.24 174.17 1qat n LEU 425 N 1.76 -1.66 0.00 2.44 4.77 -1.26 -4.92 117.00 118.13 1qat n LEU 425 Ca -0.13 0.99 -0.06 0.00 -0.03 0.00 0.00 56.01 56.78 1qat n LEU 425 Cb 0.56 -0.89 0.05 0.00 -2.33 0.00 0.00 43.42 40.82 1qat n LEU 425 CO 0.08 -3.20 0.10 -0.81 -1.33 0.00 0.00 177.39 172.24 1qat n PRO 426 N 1.05 -1.68 -4.22 3.23 -0.04 -1.26 -4.33 135.00 127.75 1qat n PRO 426 Ca 0.15 -0.32 -0.26 0.00 -0.04 0.00 0.00 63.50 63.03 1qat n PRO 426 Cb 0.28 -0.32 -0.08 0.00 -0.04 0.00 0.00 33.50 33.34 1qat n PRO 426 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1qat s SER 427 N -2.10 4.71 0.51 3.54 1.04 -1.26 -1.81 113.70 118.34 1qat s SER 427 Ca 0.13 -0.44 0.27 0.00 0.48 0.00 0.00 55.95 56.39 1qat s SER 427 Cb -0.02 -0.98 1.37 0.00 0.10 0.00 0.00 66.02 66.50 1qat s SER 427 CO 0.10 0.08 1.91 -0.65 0.98 0.00 0.00 173.24 175.67 1qat h PRO 428 N 2.60 0.09 0.02 4.02 0.11 -1.72 0.76 132.00 137.89 1qat h PRO 428 Ca -0.47 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.64 1qat h PRO 428 Cb 1.21 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1qat h PRO 428 CO 0.58 0.06 -0.01 0.93 -0.21 0.00 0.00 178.00 179.34 1qat h GLU 429 N 0.09 -0.03 0.00 1.05 4.39 -1.84 -1.87 114.58 116.36 1qat h GLU 429 Ca 0.38 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.09 1qat h GLU 429 Cb 1.39 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 30.04 1qat h GLU 429 CO -0.04 0.31 0.00 1.04 -1.16 0.00 0.00 179.01 179.16 1qat n GLN 430 N -4.94 0.13 -0.07 2.33 6.02 0.19 -1.55 117.38 119.48 1qat n GLN 430 Ca -0.08 0.58 0.08 0.00 -0.01 0.00 0.00 57.00 57.57 1qat n GLN 430 Cb 0.19 -1.89 0.12 0.00 1.02 0.00 0.00 30.24 29.67 1qat n GLN 430 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1qat n LEU 431 N -2.17 2.35 -4.76 1.08 4.77 -0.77 -4.93 117.00 112.58 1qat n LEU 431 Ca -0.01 -2.84 -0.41 0.00 -0.03 0.00 0.00 56.01 52.72 1qat n LEU 431 Cb 0.07 -0.34 -0.01 0.00 -2.33 0.00 0.00 43.42 40.80 1qat n LEU 431 CO 0.10 0.66 1.20 -0.54 -1.33 0.00 0.00 177.39 177.48 1qat s LYS 432 N -2.46 4.14 -1.56 3.23 1.02 -0.60 -2.26 119.74 121.25 1qat s LYS 432 Ca 0.26 2.54 0.00 0.00 0.02 0.00 0.00 55.97 58.79 1qat s LYS 432 Cb 0.22 -3.02 0.00 0.00 -0.52 0.00 0.00 37.83 34.52 1qat s LYS 432 CO 0.03 -0.57 0.00 0.41 -0.92 0.00 0.00 175.35 174.29 1qat n GLY 433 N 1.65 1.28 3.60 -3.33 0.00 0.33 -4.88 105.19 103.83 1qat n GLY 433 Ca 0.06 -0.30 -0.27 0.00 0.00 0.00 0.00 46.02 45.51 1qat n GLY 433 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1qat s LYS 434 N -3.50 1.92 -0.04 1.61 2.47 -0.96 -4.73 119.74 116.51 1qat s LYS 434 Ca 0.00 -2.05 0.02 0.00 -1.56 0.00 0.00 55.97 52.38 1qat s LYS 434 Cb 0.00 -1.67 0.01 0.00 -1.46 0.00 0.00 37.83 34.71 1qat s LYS 434 CO 0.00 0.01 -0.08 0.42 0.16 0.00 0.00 175.35 175.86 1qat s ILE 435 N -2.67 0.78 0.14 5.43 1.01 0.44 -2.53 121.20 123.78 1qat s ILE 435 Ca 0.34 -0.31 0.09 0.00 0.00 0.00 0.00 60.65 60.77 1qat s ILE 435 Cb 0.07 -0.72 -0.04 0.00 0.01 0.00 0.00 42.46 41.78 1qat s ILE 435 CO 0.18 0.26 -0.17 -0.76 0.00 0.00 0.00 174.94 174.45 1qat s LEU 436 N 0.51 2.73 -0.08 2.97 1.43 -0.83 -0.60 118.68 124.81 1qat s LEU 436 Ca -0.08 -0.59 -0.04 0.00 -1.03 0.00 0.00 54.13 52.39 1qat s LEU 436 Cb -0.12 -1.54 -0.04 0.00 0.03 0.00 0.00 46.19 44.53 1qat s LEU 436 CO 0.01 0.16 0.08 -0.76 0.23 0.00 0.00 176.35 176.07 1qat s LEU 437 N -2.33 4.02 -0.06 1.79 1.43 -1.26 -1.02 118.68 121.24 1qat s LEU 437 Ca 0.20 0.30 0.03 0.00 -1.03 0.00 0.00 54.13 53.63 1qat s LEU 437 Cb -0.10 -2.03 -0.02 0.00 0.03 0.00 0.00 46.19 44.06 1qat s LEU 437 CO 0.11 0.37 -0.16 -0.75 0.23 0.00 0.00 176.35 176.15 1qat s LYS 438 N -1.13 2.64 0.00 1.70 2.20 -0.32 -4.33 119.74 120.51 1qat s LYS 438 Ca 0.16 -0.73 0.00 0.00 -0.36 0.00 0.00 55.97 55.04 1qat s LYS 438 Cb -0.12 -2.38 0.00 0.00 -1.51 0.00 0.00 37.83 33.82 1qat s LYS 438 CO 0.06 0.52 0.00 0.41 -0.36 0.00 0.00 175.35 175.98 1qat n GLY 439 N 2.61 -2.02 3.73 5.54 0.00 -1.01 -1.20 105.19 112.83 1qat n GLY 439 Ca -0.17 -1.23 -0.36 0.00 0.00 0.00 0.00 46.02 44.25 1qat n GLY 439 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qat s LYS 440 N -1.88 2.43 -0.07 1.61 -0.14 -1.26 0.24 119.74 120.67 1qat s LYS 440 Ca 0.00 1.94 -0.03 0.00 -1.36 0.00 0.00 55.97 56.52 1qat s LYS 440 Cb 0.00 -1.85 0.04 0.00 -1.68 0.00 0.00 37.83 34.35 1qat s LYS 440 CO 0.00 -1.66 0.14 0.21 -0.76 0.00 0.00 175.35 173.28 1qat s LYS 441 N -3.55 0.02 0.29 1.68 2.20 -1.26 -4.79 119.74 114.33 1qat s LYS 441 Ca 0.79 0.50 0.05 0.00 -0.36 0.00 0.00 55.97 56.95 1qat s LYS 441 Cb -0.34 -0.30 0.76 0.00 -1.51 0.00 0.00 37.83 36.43 1qat s LYS 441 CO 0.41 -0.29 1.70 -0.07 -0.36 0.00 0.00 175.35 176.73 1qat h LEU 442 N 8.21 0.35 -0.29 5.43 3.38 -1.94 -3.19 115.31 127.26 1qat h LEU 442 Ca -0.18 0.16 0.05 0.00 0.09 0.00 0.00 57.88 58.00 1qat h LEU 442 Cb 1.12 0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.95 1qat h LEU 442 CO 0.19 -0.00 -0.10 0.61 0.09 0.00 0.00 178.44 179.22 1qat n GLY 443 N -1.33 -0.58 0.00 0.83 0.00 -1.26 -4.74 105.19 98.11 1qat n GLY 443 Ca 0.23 0.33 0.00 0.00 0.00 0.00 0.00 46.02 46.57 1qat n GLY 443 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qat n GLY 444 N -1.15 0.00 2.82 -0.02 0.00 -1.21 -5.31 105.19 100.32 1qat n GLY 444 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 1qat n GLY 444 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1qat n LEU 445 N 0.00 4.84 0.00 0.99 -0.00 -1.26 -5.22 117.00 116.36 1qat n LEU 445 Ca 0.00 -3.03 0.00 0.00 -0.00 0.00 0.00 56.01 52.98 1qat n LEU 445 Cb 0.00 -1.16 0.00 0.00 -0.00 0.00 0.00 43.42 42.26 1qat n LEU 445 CO 0.00 0.28 0.00 0.18 -0.00 0.00 0.00 177.39 177.85 1qat n LEU 486 N 5.73 0.00 -0.00 -1.96 4.77 -1.26 -5.32 117.00 118.95 1qat n LEU 486 Ca 0.48 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 56.47 1qat n LEU 486 Cb 0.27 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.35 1qat n LEU 486 CO 0.87 0.00 -0.06 1.17 -1.33 0.00 0.00 177.39 178.03 1qat n LYS 487 N 0.00 5.63 -3.79 3.23 4.81 -1.26 -4.97 118.16 121.81 1qat n LYS 487 Ca 0.00 -0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.30 1qat n LYS 487 Cb 0.00 -0.65 -0.15 0.00 0.02 0.00 0.00 35.03 34.25 1qat n LYS 487 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 1qat s LEU 488 N -2.21 1.21 0.27 3.14 2.96 -1.26 -4.83 118.68 117.96 1qat s LEU 488 Ca 0.01 0.07 -0.29 0.00 -0.22 0.00 0.00 54.13 53.70 1qat s LEU 488 Cb 0.01 0.02 -0.09 0.00 0.50 0.00 0.00 46.19 46.63 1qat s LEU 488 CO 0.08 -0.11 0.96 0.68 -1.32 0.00 0.00 176.35 176.65 1qat s VAL 489 N 0.86 4.05 0.40 1.68 -7.23 -1.26 -4.91 120.40 113.98 1qat s VAL 489 Ca -0.07 1.95 0.14 0.00 -1.81 0.00 0.00 61.98 62.18 1qat s VAL 489 Cb -0.10 -4.19 0.35 0.00 0.56 0.00 0.00 36.38 32.99 1qat s VAL 489 CO -0.03 0.38 1.90 -0.65 -0.31 0.00 0.00 175.10 176.39 1qat h PRO 490 N 3.81 0.49 -0.38 4.82 0.11 -1.99 -0.61 132.00 138.24 1qat h PRO 490 Ca -0.46 -0.03 0.07 0.00 0.11 0.00 0.00 66.00 65.70 1qat h PRO 490 Cb 1.20 -0.11 -0.07 0.00 0.11 0.00 0.00 31.00 32.13 1qat h PRO 490 CO 0.67 0.32 -0.05 0.93 -0.21 0.00 0.00 178.00 179.66 1qat h GLU 491 N 0.51 0.04 0.07 1.05 3.07 -1.97 -1.20 114.58 116.15 1qat h GLU 491 Ca 0.40 -0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 59.26 1qat h GLU 491 Cb 0.83 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.73 1qat h GLU 491 CO -0.15 0.03 -0.04 -0.07 -1.40 0.00 0.00 179.01 177.38 1qat h LEU 492 N 0.04 -0.08 -1.33 1.33 3.38 -1.46 -3.33 115.31 113.85 1qat h LEU 492 Ca 0.18 -0.49 0.11 0.00 0.09 0.00 0.00 57.88 57.77 1qat h LEU 492 Cb 0.27 0.02 -0.06 0.00 0.09 0.00 0.00 40.66 40.99 1qat h LEU 492 CO -0.36 0.49 0.53 -1.28 0.09 0.00 0.00 178.44 177.92 1qat h SER 493 N -0.71 0.66 0.31 -0.43 0.87 -1.11 -0.25 113.55 112.90 1qat h SER 493 Ca -0.01 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1qat h SER 493 Cb 0.57 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.42 1qat h SER 493 CO 0.02 0.38 0.00 0.47 -0.53 0.00 0.00 176.83 177.16 1qat n ASP 494 N -4.52 0.28 0.05 6.23 8.00 -0.47 -1.96 116.55 124.17 1qat n ASP 494 Ca 0.14 0.60 0.12 0.00 0.71 0.00 0.00 54.79 56.36 1qat n ASP 494 Cb 0.36 -0.65 0.17 0.00 -0.02 0.00 0.00 41.12 40.99 1qat n ASP 494 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1qat n MET 495 N -1.84 0.26 -2.82 -1.24 2.81 -0.10 -4.70 117.12 109.49 1qat n MET 495 Ca 0.01 0.07 -0.43 0.00 -1.81 0.00 0.00 57.70 55.55 1qat n MET 495 Cb 0.11 -1.66 -0.04 0.00 -0.71 0.00 0.00 33.22 30.92 1qat n MET 495 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 1qat s ILE 496 N -3.15 4.31 -0.13 2.02 -1.09 -0.83 -4.27 121.20 118.05 1qat s ILE 496 Ca 0.07 0.12 -0.09 0.00 -2.23 0.00 0.00 60.65 58.52 1qat s ILE 496 Cb 0.14 -4.61 -0.06 0.00 -1.58 0.00 0.00 42.46 36.35 1qat s ILE 496 CO 0.72 -1.28 -0.20 -0.38 -1.23 0.00 0.00 174.94 172.57 1qat n ILE 497 N 6.14 1.02 0.44 2.92 5.41 -1.26 -4.83 119.36 129.20 1qat n ILE 497 Ca 0.00 -0.08 0.05 0.00 1.00 0.00 0.00 62.75 63.72 1qat n ILE 497 Cb 0.47 -1.80 0.01 0.00 -0.71 0.00 0.00 39.64 37.60 1qat n ILE 497 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 1qat n TYR 498 N -3.81 0.00 -2.91 1.39 4.01 -1.26 -4.73 117.16 109.85 1qat n TYR 498 Ca -0.25 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.27 1qat n TYR 498 Cb 0.60 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.61 1qat n TYR 498 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1qat s LYS 500 N -3.12 3.73 0.04 0.00 2.20 0.12 -2.40 119.74 120.31 1qat s LYS 500 Ca 0.43 1.31 -0.30 0.00 -0.36 0.00 0.00 55.97 57.06 1qat s LYS 500 Cb 0.34 -4.00 -0.08 0.00 -1.51 0.00 0.00 37.83 32.58 1qat s LYS 500 CO -0.11 -1.36 1.82 0.45 -0.36 0.00 0.00 175.35 175.79 1qat s SER 501 N 3.85 6.52 0.16 1.43 0.15 0.14 -0.75 113.70 125.20 1qat s SER 501 Ca 0.64 2.55 0.04 0.00 0.70 0.00 0.00 55.95 59.89 1qat s SER 501 Cb -0.19 -2.54 -0.05 0.00 -1.71 0.00 0.00 66.02 61.53 1qat s SER 501 CO 0.28 -0.99 -0.08 0.68 1.20 0.00 0.00 173.24 174.34 1qat s VAL 502 N 3.78 1.12 0.08 4.45 -7.23 -1.16 -4.53 120.40 116.91 1qat s VAL 502 Ca 0.81 -2.05 -0.15 0.00 -1.81 0.00 0.00 61.98 58.78 1qat s VAL 502 Cb -0.41 -1.95 -0.06 0.00 0.56 0.00 0.00 36.38 34.52 1qat s VAL 502 CO 0.36 -0.66 0.49 -1.00 -0.31 0.00 0.00 175.10 173.98 1qat s HIS 503 N -3.36 3.68 -0.12 2.82 3.76 -1.26 -4.13 115.29 116.67 1qat s HIS 503 Ca 0.19 1.04 -0.29 0.00 -0.15 0.00 0.00 55.06 55.84 1qat s HIS 503 Cb 0.03 -2.33 -0.05 0.00 1.11 0.00 0.00 32.58 31.34 1qat s HIS 503 CO 0.02 0.54 1.70 0.12 -0.85 0.00 0.00 174.74 176.27 1qat s PHE 504 N -1.27 1.92 -0.94 1.40 5.36 -1.26 -4.88 117.98 118.31 1qat s PHE 504 Ca 0.31 0.31 0.15 0.00 -0.96 0.00 0.00 56.93 56.74 1qat s PHE 504 Cb -0.16 -3.96 0.46 0.00 -0.34 0.00 0.00 43.02 39.01 1qat s PHE 504 CO 0.17 -3.63 1.38 0.41 -1.46 0.00 0.00 175.22 172.09 1qat n GLY 505 N 4.49 2.98 0.00 13.12 0.00 -1.26 -5.08 105.19 119.44 1qat n GLY 505 Ca 0.19 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.58 1qat n GLY 505 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qat n GLY 506 N 0.55 2.57 0.00 -0.02 0.00 -1.26 -5.07 105.19 101.96 1qat n GLY 506 Ca 0.17 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 44.25 1qat n GLY 506 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1qat n PHE 507 N 0.76 0.00 0.00 1.61 3.72 -1.26 -4.74 117.46 117.55 1qat n PHE 507 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1qat n PHE 507 Cb 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 1qat n PHE 507 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1qat n SER 508 N 0.00 0.00 0.00 4.37 7.64 -1.26 -4.96 113.62 119.41 1qat n SER 508 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1qat n SER 508 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1qat n SER 508 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1qat n SER 509 N -1.89 0.00 0.00 6.43 7.64 -1.26 -5.05 113.62 119.48 1qat n SER 509 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1qat n SER 509 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1qat n SER 509 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1qat n GLY 514 N 0.00 -0.88 3.69 0.23 0.00 -1.26 -5.24 105.19 101.74 1qat n GLY 514 Ca 0.00 0.43 -0.43 0.00 0.00 0.00 0.00 46.02 46.02 1qat n GLY 514 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1qat n GLN 515 N 0.00 2.16 -1.17 1.61 7.27 -1.26 -4.93 117.38 121.05 1qat n GLN 515 Ca 0.00 0.76 -0.31 0.00 0.07 0.00 0.00 57.00 57.53 1qat n GLN 515 Cb 0.00 -2.40 0.12 0.00 2.41 0.00 0.00 30.24 30.37 1qat n GLN 515 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1qat s ALA 516 N -0.53 1.90 0.43 1.69 0.00 -1.26 -4.89 121.76 119.10 1qat s ALA 516 Ca 0.62 0.19 0.33 0.00 0.00 0.00 0.00 51.96 53.10 1qat s ALA 516 Cb -0.59 -3.27 1.70 0.00 0.00 0.00 0.00 23.12 20.96 1qat s ALA 516 CO 0.55 -2.09 2.14 0.27 0.00 0.00 0.00 175.76 176.63 1qat h PHE 517 N -1.37 0.00 -0.01 0.00 -0.00 -1.90 -2.32 116.94 111.35 1qat h PHE 517 Ca -0.46 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.51 1qat h PHE 517 Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.20 1qat h PHE 517 CO 0.52 0.06 -0.29 2.48 -0.00 0.00 0.00 178.31 181.08 1qat n TYR 518 N -3.41 0.00 -3.76 6.09 4.11 -1.26 -4.65 117.16 114.27 1qat n TYR 518 Ca -0.02 0.00 -0.31 0.00 -0.00 0.00 0.00 57.90 57.57 1qat n TYR 518 Cb 0.20 -0.11 -0.04 0.00 -0.00 0.00 0.00 39.34 39.39 1qat n TYR 518 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.86 175.65 1qat s GLU 519 N -2.51 3.55 -0.16 -3.48 2.02 -0.87 0.16 118.70 117.41 1qat s GLU 519 Ca 0.23 -0.22 -0.04 0.00 0.02 0.00 0.00 54.97 54.96 1qat s GLU 519 Cb 0.19 -2.91 0.06 0.00 0.10 0.00 0.00 34.13 31.56 1qat s GLU 519 CO 0.53 0.51 0.06 1.41 0.02 0.00 0.00 175.26 177.80 1qat s MET 520 N -2.64 0.28 0.69 1.61 1.75 0.07 -4.39 119.30 116.67 1qat s MET 520 Ca 0.39 -0.15 -0.11 0.00 -1.25 0.00 0.00 55.69 54.56 1qat s MET 520 Cb -0.12 -1.78 0.00 0.00 2.84 0.00 0.00 34.83 35.77 1qat s MET 520 CO 0.26 -0.61 1.07 0.00 -0.65 0.00 0.00 175.02 175.09 1qat s ALA 521 N 2.04 2.84 0.03 4.11 0.00 -1.26 -2.98 121.76 126.54 1qat s ALA 521 Ca 0.01 -0.19 0.03 0.00 0.00 0.00 0.00 51.96 51.82 1qat s ALA 521 Cb -0.16 -3.07 -0.02 0.00 0.00 0.00 0.00 23.12 19.87 1qat s ALA 521 CO -0.08 -1.09 -0.10 -1.12 0.00 0.00 0.00 175.76 173.36 1qat s SER 522 N -4.17 1.22 0.01 0.00 0.01 -1.26 -2.34 113.70 107.17 1qat s SER 522 Ca 0.58 -0.43 0.01 0.00 1.31 0.00 0.00 55.95 57.41 1qat s SER 522 Cb -0.12 -0.05 -0.01 0.00 0.21 0.00 0.00 66.02 66.06 1qat s SER 522 CO 0.53 -0.04 -0.03 -0.36 0.41 0.00 0.00 173.24 173.75 1qat s PHE 523 N -0.92 0.23 0.55 2.43 0.08 0.66 -4.86 117.98 116.15 1qat s PHE 523 Ca -0.02 -0.15 -0.17 0.00 0.12 0.00 0.00 56.93 56.72 1qat s PHE 523 Cb -0.08 -0.15 -0.06 0.00 -0.57 0.00 0.00 43.02 42.16 1qat s PHE 523 CO 0.01 -0.04 1.03 -1.54 -0.10 0.00 0.00 175.22 174.58 1qat s SER 524 N -0.38 6.18 0.48 1.36 1.04 -1.26 -0.38 113.70 120.73 1qat s SER 524 Ca -0.03 1.73 0.22 0.00 0.48 0.00 0.00 55.95 58.36 1qat s SER 524 Cb -0.03 -2.53 1.25 0.00 0.10 0.00 0.00 66.02 64.81 1qat s SER 524 CO -0.00 -0.89 1.93 1.05 0.98 0.00 0.00 173.24 176.30 1qat h GLU 525 N 0.76 0.20 0.07 4.02 4.11 -1.50 -1.35 114.58 120.88 1qat h GLU 525 Ca -0.47 -0.01 -0.00 0.00 0.07 0.00 0.00 59.36 58.94 1qat h GLU 525 Cb 1.21 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1qat h GLU 525 CO 0.59 0.13 -0.03 0.66 0.07 0.00 0.00 179.01 180.43 1qat h SER 526 N 0.20 -0.08 -0.46 3.06 4.64 -1.91 -2.18 113.55 116.82 1qat h SER 526 Ca 0.35 -0.29 -0.04 0.00 -0.47 0.00 0.00 61.79 61.35 1qat h SER 526 Cb 1.10 0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 63.19 1qat h SER 526 CO -0.07 0.25 0.13 -0.09 -0.87 0.00 0.00 176.83 176.19 1qat h ARG 527 N -0.42 0.72 -1.00 4.77 2.43 -1.72 -1.61 114.38 117.56 1qat h ARG 527 Ca -0.01 -0.16 0.06 0.00 -0.81 0.00 0.00 59.98 59.06 1qat h ARG 527 Cb 0.36 -0.10 -0.07 0.00 -0.42 0.00 0.00 29.97 29.75 1qat h ARG 527 CO 0.02 0.70 0.65 0.00 -1.51 0.00 0.00 179.97 179.82 1qat h ALA 528 N 0.99 1.40 0.00 2.80 0.00 -1.29 -0.12 119.26 123.04 1qat h ALA 528 Ca 0.15 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 1qat h ALA 528 Cb 0.29 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1qat h ALA 528 CO -0.00 0.46 -0.33 -0.07 0.00 0.00 0.00 179.25 179.30 1qat h LEU 529 N 1.18 0.00 -0.02 0.00 3.38 -0.89 -1.44 115.31 117.52 1qat h LEU 529 Ca 0.43 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.30 1qat h LEU 529 Cb 0.15 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.90 1qat h LEU 529 CO -0.16 0.33 -0.34 -0.09 0.09 0.00 0.00 178.44 178.26 1qat h ARG 530 N 0.00 0.27 -0.09 1.13 2.43 -0.14 -3.07 114.38 114.91 1qat h ARG 530 Ca -0.00 -0.26 -0.10 0.00 -0.81 0.00 0.00 59.98 58.81 1qat h ARG 530 Cb 0.74 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.34 1qat h ARG 530 CO 0.04 0.95 -0.39 -0.07 -1.51 0.00 0.00 179.97 178.99 1qat h LEU 531 N -0.32 0.19 -1.15 3.80 3.38 -0.94 -0.19 115.31 120.07 1qat h LEU 531 Ca -0.04 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.81 1qat h LEU 531 Cb 1.06 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 1qat h LEU 531 CO 0.07 0.57 -0.23 -0.07 0.09 0.00 0.00 178.44 178.86 1qat h LEU 532 N 0.16 0.00 0.15 1.67 3.38 -1.34 0.23 115.31 119.56 1qat h LEU 532 Ca 0.02 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.68 1qat h LEU 532 Cb 0.77 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.52 1qat h LEU 532 CO 0.06 0.23 -1.51 -0.61 0.09 0.00 0.00 178.44 176.70 1qat h GLN 533 N 0.00 0.32 0.19 1.13 5.75 -1.31 -3.02 115.11 118.18 1qat h GLN 533 Ca -0.00 -0.55 -0.30 0.00 -0.15 0.00 0.00 58.65 57.64 1qat h GLN 533 Cb 0.73 0.21 0.02 0.00 1.07 0.00 0.00 27.48 29.51 1qat h GLN 533 CO 0.03 1.26 -1.41 0.93 -2.65 0.00 0.00 178.83 176.99 1qat h GLU 534 N -0.12 0.41 0.00 1.69 5.08 -1.00 -3.41 114.58 117.24 1qat h GLU 534 Ca -0.31 -0.70 -0.36 0.00 -1.00 0.00 0.00 59.36 56.99 1qat h GLU 534 Cb 1.91 0.26 -0.07 0.00 0.50 0.00 0.00 28.75 31.35 1qat h GLU 534 CO 0.12 1.34 -2.30 0.43 -1.00 0.00 0.00 179.01 177.60 1qat n SER 535 N -3.80 0.52 0.00 1.42 7.64 0.79 -5.04 113.62 115.15 1qat n SER 535 Ca -0.20 0.04 0.00 0.00 1.01 0.00 0.00 58.87 59.72 1qat n SER 535 Cb 1.01 0.56 0.00 0.00 -1.01 0.00 0.00 64.21 64.77 1qat n SER 535 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1qat n GLY 536 N 1.82 2.85 0.00 0.23 0.00 -1.08 -0.68 105.19 108.32 1qat n GLY 536 Ca -0.33 0.31 0.06 0.00 0.00 0.00 0.00 46.02 46.05 1qat n GLY 536 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1qat n ASN 537 N 8.56 0.00 -0.17 1.61 6.94 -1.22 -0.73 115.26 130.25 1qat n ASN 537 Ca 0.00 0.22 -0.10 0.00 -0.02 0.00 0.00 54.58 54.68 1qat n ASN 537 Cb 0.00 -0.34 0.02 0.00 -2.36 0.00 0.00 39.78 37.10 1qat n ASN 537 CO 0.00 0.00 0.00 1.23 -1.03 0.00 0.00 177.26 177.46 1qat h GLY 538 N 1.91 1.08 1.03 4.83 0.00 -1.22 -1.08 103.07 109.62 1qat h GLY 538 Ca 0.00 -0.89 -0.21 0.00 0.00 0.00 0.00 47.33 46.23 1qat h GLY 538 CO 0.00 0.82 -0.81 -2.75 0.00 0.00 0.00 176.54 173.80 1qat h PHE 539 N 0.88 0.87 0.40 5.60 3.04 -1.08 -2.43 116.94 124.21 1qat h PHE 539 Ca 0.13 -0.45 -0.01 0.00 3.98 0.00 0.00 57.97 61.61 1qat h PHE 539 Cb 0.71 -0.11 -0.00 0.00 2.56 0.00 0.00 35.95 39.10 1qat h PHE 539 CO 0.05 1.28 -0.23 0.28 -2.02 0.00 0.00 178.31 177.66 1qat h VAL 540 N 0.22 0.51 -0.58 1.41 2.07 -1.37 -0.75 116.25 117.77 1qat h VAL 540 Ca -0.09 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.54 1qat h VAL 540 Cb 1.48 0.51 -0.09 0.00 -1.52 0.00 0.00 31.29 31.67 1qat h VAL 540 CO 0.16 0.00 0.07 0.03 0.02 0.00 0.00 177.57 177.85 1qat h ARG 541 N -0.60 0.19 -0.94 1.57 3.08 -1.29 -1.04 114.38 115.36 1qat h ARG 541 Ca -0.05 -0.01 0.15 0.00 0.07 0.00 0.00 59.98 60.14 1qat h ARG 541 Cb 0.49 -0.04 -0.09 0.00 0.08 0.00 0.00 29.97 30.40 1qat h ARG 541 CO 0.05 0.13 0.55 1.25 -1.07 0.00 0.00 179.97 180.87 1qat h HIS 542 N 0.19 0.97 0.00 3.04 2.76 -0.90 -1.16 115.15 120.06 1qat h HIS 542 Ca 0.30 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.50 1qat h HIS 542 Cb 0.46 -0.29 0.00 0.00 1.55 0.00 0.00 27.41 29.13 1qat h HIS 542 CO -0.28 0.29 -0.06 0.09 -1.30 0.00 0.00 177.93 176.66 1qat n ASN 543 N -4.76 0.48 -0.13 3.26 3.02 -0.34 -2.25 115.26 114.55 1qat n ASN 543 Ca 0.19 0.48 -0.09 0.00 -0.03 0.00 0.00 54.58 55.14 1qat n ASN 543 Cb 0.44 -0.57 -0.00 0.00 -0.61 0.00 0.00 39.78 39.03 1qat n ASN 543 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1qat h VAL 544 N 0.00 1.16 0.03 2.41 2.07 -0.58 -3.35 116.25 117.99 1qat h VAL 544 Ca 0.00 -0.42 -0.25 0.00 0.82 0.00 0.00 66.70 66.85 1qat h VAL 544 Cb 0.64 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 1qat h VAL 544 CO 0.00 0.17 -1.36 0.77 0.02 0.00 0.00 177.57 177.17 1qat h SER 545 N 0.52 0.10 -2.54 0.57 4.64 -1.62 -3.39 113.55 111.82 1qat h SER 545 Ca 0.14 -0.63 -0.55 0.00 -0.47 0.00 0.00 61.79 60.28 1qat h SER 545 Cb 0.07 -0.03 -0.07 0.00 -0.31 0.00 0.00 62.40 62.06 1qat h SER 545 CO -0.02 1.55 -0.56 0.00 -0.87 0.00 0.00 176.83 176.92 1qat s LEU 547 N -3.34 4.32 -0.11 0.00 1.43 -1.26 -4.23 118.68 115.48 1qat s LEU 547 Ca 0.31 1.69 0.01 0.00 -1.03 0.00 0.00 54.13 55.11 1qat s LEU 547 Cb -0.09 -3.90 0.02 0.00 0.03 0.00 0.00 46.19 42.24 1qat s LEU 547 CO 0.23 -0.05 -0.13 -0.44 0.23 0.00 0.00 176.35 176.19 1qat s SER 548 N -1.66 2.39 -0.20 2.29 0.01 -1.26 -4.10 113.70 111.16 1qat s SER 548 Ca 0.48 -0.41 -0.08 0.00 1.31 0.00 0.00 55.95 57.26 1qat s SER 548 Cb -0.17 -1.04 -0.04 0.00 0.21 0.00 0.00 66.02 64.97 1qat s SER 548 CO 0.22 -0.02 0.07 -0.60 0.41 0.00 0.00 173.24 173.32 1qat s ARG 549 N 1.18 3.90 0.22 12.44 3.52 -0.99 -0.71 118.95 138.51 1qat s ARG 549 Ca -0.03 -0.38 0.07 0.00 -0.13 0.00 0.00 55.73 55.27 1qat s ARG 549 Cb -0.14 -3.27 -0.04 0.00 -1.56 0.00 0.00 34.95 29.94 1qat s ARG 549 CO -0.04 0.13 0.08 0.42 -0.81 0.00 0.00 175.30 175.08 1qat s ILE 550 N 0.76 3.98 -0.02 4.11 -1.09 0.09 -0.25 121.20 128.77 1qat s ILE 550 Ca 0.04 -1.50 -0.22 0.00 -2.23 0.00 0.00 60.65 56.74 1qat s ILE 550 Cb -0.13 -3.08 0.04 0.00 -1.58 0.00 0.00 42.46 37.71 1qat s ILE 550 CO 0.02 -0.25 0.48 -0.72 -1.23 0.00 0.00 174.94 173.24 1qat s TYR 551 N -2.01 -0.39 0.50 3.97 -0.85 0.49 -1.75 117.35 117.31 1qat s TYR 551 Ca 0.31 0.63 -0.20 0.00 -0.52 0.00 0.00 57.07 57.29 1qat s TYR 551 Cb -0.08 0.24 -0.11 0.00 0.38 0.00 0.00 41.96 42.39 1qat s TYR 551 CO 0.21 -0.50 0.41 -2.30 -1.52 0.00 0.00 175.55 171.85 1qat n PRO 552 N 1.04 0.44 -0.71 -3.49 -0.02 -1.25 -1.48 135.00 129.54 1qat n PRO 552 Ca -0.20 0.17 -0.28 0.00 -2.02 0.00 0.00 63.50 61.16 1qat n PRO 552 Cb 0.57 -1.50 0.24 0.00 -0.02 0.00 0.00 33.50 32.79 1qat n PRO 552 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1qat s ALA 553 N -1.68 -0.21 -0.37 3.55 0.00 -1.26 -4.56 121.76 117.22 1qat s ALA 553 Ca 0.65 -0.25 0.23 0.00 0.00 0.00 0.00 51.96 52.59 1qat s ALA 553 Cb -0.51 -3.19 0.21 0.00 0.00 0.00 0.00 23.12 19.62 1qat s ALA 553 CO 0.58 -3.66 1.37 0.78 0.00 0.00 0.00 175.76 174.82 1qat h GLY 554 N -2.50 0.00 0.91 0.00 0.00 -2.02 -3.26 103.07 96.20 1qat h GLY 554 Ca -0.61 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.72 1qat h GLY 554 CO 0.53 0.00 0.00 -2.67 0.00 0.00 0.00 176.54 174.40 1qat n TRP 555 N -2.87 0.00 -1.99 5.60 4.27 -1.26 -4.11 117.44 117.08 1qat n TRP 555 Ca 0.02 0.00 -0.37 0.00 -3.89 0.00 0.00 57.50 53.26 1qat n TRP 555 Cb 0.53 0.00 -0.01 0.00 -1.36 0.00 0.00 31.31 30.47 1qat n TRP 555 CO 0.00 0.00 0.00 0.54 -2.29 0.00 0.00 177.69 175.94 1qat n ARG 556 N -0.95 4.07 0.30 -2.67 1.74 -1.23 -4.68 116.66 113.23 1qat n ARG 556 Ca 0.18 -3.43 0.18 0.00 -0.77 0.00 0.00 57.85 54.02 1qat n ARG 556 Cb 0.08 -2.45 0.96 0.00 -1.02 0.00 0.00 32.46 30.03 1qat n ARG 556 CO 0.00 0.00 0.00 1.79 -1.52 0.00 0.00 177.63 177.90 1qat h THR 557 N 2.32 0.20 0.00 0.55 1.35 -1.90 0.59 112.91 116.03 1qat h THR 557 Ca 0.58 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 66.21 1qat h THR 557 Cb 0.38 1.19 0.00 0.00 -1.73 0.00 0.00 68.15 67.99 1qat h THR 557 CO 1.27 0.03 0.00 -0.90 -0.25 0.00 0.00 175.52 175.67 1qat n ASP 558 N -3.31 0.00 -1.56 5.36 5.75 -1.26 -0.00 116.55 121.53 1qat n ASP 558 Ca -0.02 -0.98 -0.15 0.00 -0.01 0.00 0.00 54.79 53.64 1qat n ASP 558 Cb 0.16 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.23 1qat n ASP 558 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1qat n SER 559 N -0.90 -4.59 -4.80 -1.12 7.64 0.20 -4.71 113.62 105.35 1qat n SER 559 Ca 0.16 0.08 -0.31 0.00 1.01 0.00 0.00 58.87 59.81 1qat n SER 559 Cb 0.07 -3.65 0.06 0.00 -1.01 0.00 0.00 64.21 59.68 1qat n SER 559 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1qat s SER 560 N -2.46 5.10 0.41 6.43 1.04 -1.25 -4.71 113.70 118.26 1qat s SER 560 Ca 0.00 1.74 0.07 0.00 0.48 0.00 0.00 55.95 58.24 1qat s SER 560 Cb 0.00 -2.51 -0.05 0.00 0.10 0.00 0.00 66.02 63.56 1qat s SER 560 CO 0.00 -1.64 0.19 0.20 0.98 0.00 0.00 173.24 172.98 1qat s ASN 561 N -3.45 4.47 0.21 7.02 0.01 -1.26 -4.81 114.94 117.13 1qat s ASN 561 Ca 0.60 -1.05 0.08 0.00 -0.71 0.00 0.00 52.86 51.79 1qat s ASN 561 Cb -0.16 -0.49 -0.04 0.00 0.41 0.00 0.00 41.25 40.97 1qat s ASN 561 CO 0.52 -0.55 -0.02 -0.72 -1.51 0.00 0.00 177.10 174.83 1qat s TYR 562 N -2.59 2.76 0.08 2.20 1.13 -1.26 -4.99 117.35 114.68 1qat s TYR 562 Ca 0.42 -0.18 -0.31 0.00 -1.41 0.00 0.00 57.07 55.58 1qat s TYR 562 Cb 0.03 -1.30 -0.08 0.00 -1.10 0.00 0.00 41.96 39.51 1qat s TYR 562 CO 0.23 0.55 1.52 0.45 -2.51 0.00 0.00 175.55 175.79 1qat s SER 563 N -3.18 6.70 0.29 -0.18 0.15 -1.26 -4.84 113.70 111.37 1qat s SER 563 Ca 0.28 2.39 0.18 0.00 0.70 0.00 0.00 55.95 59.51 1qat s SER 563 Cb -0.08 -2.57 0.11 0.00 -1.71 0.00 0.00 66.02 61.76 1qat s SER 563 CO 0.18 -0.79 1.36 1.55 1.20 0.00 0.00 173.24 176.74 1qat h PRO 564 N 7.63 0.00 -0.50 5.44 0.13 -1.98 -3.39 132.00 139.33 1qat h PRO 564 Ca -0.41 0.00 0.10 0.00 -0.87 0.00 0.00 66.00 64.82 1qat h PRO 564 Cb 1.20 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.23 1qat h PRO 564 CO 0.91 0.27 -0.21 0.28 -0.23 0.00 0.00 178.00 179.01 1qat h VAL 565 N 0.00 0.35 -0.02 1.56 2.07 -1.96 0.89 116.25 119.13 1qat h VAL 565 Ca -0.02 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.50 1qat h VAL 565 Cb 1.26 0.35 -0.00 0.00 -1.52 0.00 0.00 31.29 31.38 1qat h VAL 565 CO 0.04 0.00 0.05 -0.08 0.02 0.00 0.00 177.57 177.60 1qat h GLU 566 N -0.10 0.00 0.06 1.57 4.57 -1.88 0.19 114.58 118.99 1qat h GLU 566 Ca 0.24 0.00 -0.09 0.00 -1.18 0.00 0.00 59.36 58.33 1qat h GLU 566 Cb 0.47 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.06 1qat h GLU 566 CO -0.57 0.00 -0.41 0.52 -1.18 0.00 0.00 179.01 177.37 1qat h MET 567 N 0.00 0.12 -0.86 1.92 2.86 -1.12 -3.26 114.93 114.58 1qat h MET 567 Ca 0.01 -0.20 0.04 0.00 -2.06 0.00 0.00 59.70 57.49 1qat h MET 567 Cb 0.12 0.08 -0.05 0.00 0.06 0.00 0.00 31.60 31.80 1qat h MET 567 CO -0.00 1.10 0.55 -1.49 1.06 0.00 0.00 176.91 178.13 1qat h TRP 568 N -0.74 1.03 -0.15 -0.22 6.55 -0.01 -1.36 115.95 121.05 1qat h TRP 568 Ca -0.08 0.03 0.04 0.00 0.95 0.00 0.00 58.89 59.83 1qat h TRP 568 Cb 1.28 -0.34 -0.01 0.00 -0.86 0.00 0.00 29.16 29.24 1qat h TRP 568 CO 0.24 0.57 0.20 -0.91 -1.05 0.00 0.00 178.44 177.49 1qat h ASN 569 N 1.05 0.00 -0.57 -3.49 4.21 -0.79 0.18 115.58 116.17 1qat h ASN 569 Ca 0.35 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.86 1qat h ASN 569 Cb 0.05 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.25 1qat h ASN 569 CO -0.13 0.00 0.00 0.61 -1.29 0.00 0.00 177.43 176.62 1qat n GLY 570 N -1.35 2.69 3.12 2.83 0.00 -0.55 -4.58 105.19 107.35 1qat n GLY 570 Ca 0.01 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.21 1qat n GLY 570 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qat n GLY 571 N 0.83 2.28 3.67 -0.02 0.00 0.62 -3.91 105.19 108.66 1qat n GLY 571 Ca 0.25 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.83 1qat n GLY 571 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qat n GLN 573 N 6.68 0.72 -3.16 0.00 0.00 -1.18 -4.23 117.38 116.20 1qat n GLN 573 Ca 0.20 0.22 -0.40 0.00 0.00 0.00 0.00 57.00 57.03 1qat n GLN 573 Cb 0.36 -1.66 -0.01 0.00 0.00 0.00 0.00 30.24 28.93 1qat n GLN 573 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.06 176.17 1qat n ILE 574 N -3.35 4.59 -2.77 -0.39 5.41 0.12 -1.56 119.36 121.41 1qat n ILE 574 Ca -0.35 -5.70 -0.43 0.00 1.00 0.00 0.00 62.75 57.28 1qat n ILE 574 Cb 1.04 -2.16 -0.03 0.00 -0.71 0.00 0.00 39.64 37.78 1qat n ILE 574 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 1qat s VAL 575 N -2.49 4.27 -0.11 1.39 1.01 -1.26 -0.73 120.40 122.48 1qat s VAL 575 Ca 0.32 -0.71 -0.29 0.00 0.00 0.00 0.00 61.98 61.30 1qat s VAL 575 Cb 0.04 -4.83 -0.03 0.00 0.00 0.00 0.00 36.38 31.55 1qat s VAL 575 CO 0.05 -1.64 1.46 0.00 0.00 0.00 0.00 175.10 174.97 1qat s ALA 576 N 4.09 3.64 0.21 5.51 0.00 -0.72 -4.34 121.76 130.15 1qat s ALA 576 Ca 0.33 0.70 0.11 0.00 0.00 0.00 0.00 51.96 53.09 1qat s ALA 576 Cb -0.08 -3.69 -0.05 0.00 0.00 0.00 0.00 23.12 19.31 1qat s ALA 576 CO 0.00 -1.30 -0.22 -0.51 0.00 0.00 0.00 175.76 173.74 1qat s LEU 577 N 3.79 2.47 -1.04 0.00 1.43 -0.69 -3.76 118.68 120.88 1qat s LEU 577 Ca 0.64 -0.91 -0.23 0.00 -1.03 0.00 0.00 54.13 52.61 1qat s LEU 577 Cb -0.27 -1.09 0.04 0.00 0.03 0.00 0.00 46.19 44.90 1qat s LEU 577 CO 0.22 0.07 1.52 0.20 0.23 0.00 0.00 176.35 178.59 1qat s ASN 578 N -2.88 6.43 0.61 2.29 0.01 -1.26 -1.76 114.94 118.37 1qat s ASN 578 Ca 0.22 -1.50 0.29 0.00 -0.71 0.00 0.00 52.86 51.15 1qat s ASN 578 Cb -0.07 -2.57 1.52 0.00 0.41 0.00 0.00 41.25 40.54 1qat s ASN 578 CO 0.10 -1.57 1.92 -0.26 -1.51 0.00 0.00 177.10 175.78 1qat h PHE 579 N 9.67 0.00 0.00 2.20 -1.00 -1.90 -0.80 116.94 125.10 1qat h PHE 579 Ca 0.22 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.00 1qat h PHE 579 Cb 0.99 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.55 1qat h PHE 579 CO 1.29 0.00 0.00 0.00 -1.61 0.00 0.00 178.31 177.99 1qat n GLN 580 N -3.53 0.81 -4.05 1.51 0.00 -1.26 -4.68 117.38 106.17 1qat n GLN 580 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 57.00 56.72 1qat n GLN 580 Cb 0.57 -1.30 -0.15 0.00 0.00 0.00 0.00 30.24 29.36 1qat n GLN 580 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 1qat s THR 581 N -2.00 2.32 0.50 -0.39 2.01 -0.31 -4.88 115.64 112.89 1qat s THR 581 Ca 0.23 -1.33 -0.21 0.00 0.31 0.00 0.00 61.69 60.70 1qat s THR 581 Cb 0.11 -2.23 -0.07 0.00 0.01 0.00 0.00 72.50 70.31 1qat s THR 581 CO 0.18 0.16 1.10 -2.84 -0.69 0.00 0.00 174.62 172.52 1qat s PRO 582 N 1.20 3.64 0.00 4.92 0.02 -1.26 -4.61 135.00 138.91 1qat s PRO 582 Ca -0.03 1.54 0.00 0.00 0.02 0.00 0.00 61.00 62.52 1qat s PRO 582 Cb -0.18 -2.14 0.00 0.00 0.02 0.00 0.00 34.50 32.20 1qat s PRO 582 CO -0.07 -0.59 0.00 0.41 -0.33 0.00 0.00 177.00 176.42 1qat n GLY 583 N 0.08 3.23 0.50 0.52 0.00 -1.26 -4.93 105.19 103.32 1qat n GLY 583 Ca 0.10 -0.90 0.34 0.00 0.00 0.00 0.00 46.02 45.56 1qat n GLY 583 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1qat h PRO 584 N 0.00 0.14 -0.02 1.61 0.11 -1.98 -0.04 132.00 131.81 1qat h PRO 584 Ca 0.00 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.10 1qat h PRO 584 Cb 0.00 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 31.08 1qat h PRO 584 CO 0.00 0.09 0.00 0.93 -0.21 0.00 0.00 178.00 178.81 1qat h GLU 585 N 0.14 0.03 0.00 1.05 3.07 -1.93 0.27 114.58 117.22 1qat h GLU 585 Ca 0.69 -0.01 -0.03 0.00 -0.50 0.00 0.00 59.36 59.51 1qat h GLU 585 Cb 2.31 -0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 30.21 1qat h GLU 585 CO -0.21 0.27 -0.12 0.52 -1.40 0.00 0.00 179.01 178.07 1qat h MET 586 N -0.21 0.00 0.48 2.33 2.86 -1.31 -1.11 114.93 117.97 1qat h MET 586 Ca 0.01 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 1qat h MET 586 Cb 0.25 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.92 1qat h MET 586 CO 0.00 0.12 -0.23 -0.44 1.06 0.00 0.00 176.91 177.42 1qat h ASP 587 N 0.00 -0.55 0.23 1.22 3.32 -0.77 0.11 116.42 119.98 1qat h ASP 587 Ca -0.00 -0.07 -0.02 0.00 0.02 0.00 0.00 57.03 56.96 1qat h ASP 587 Cb 0.69 0.14 -0.00 0.00 0.22 0.00 0.00 39.33 40.38 1qat h ASP 587 CO 0.02 -0.23 -0.10 0.58 -1.72 0.00 0.00 179.24 177.78 1qat h VAL 588 N -0.88 0.70 0.48 -1.35 2.07 -0.85 -1.54 116.25 114.88 1qat h VAL 588 Ca -0.07 -0.42 -0.02 0.00 0.82 0.00 0.00 66.70 67.01 1qat h VAL 588 Cb 0.58 1.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.62 1qat h VAL 588 CO 0.11 0.10 -0.23 0.22 0.02 0.00 0.00 177.57 177.79 1qat h TYR 589 N 0.00 -0.59 -0.26 1.57 3.20 -0.59 -1.95 116.97 118.34 1qat h TYR 589 Ca -0.00 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.79 1qat h TYR 589 Cb 0.25 0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.70 1qat h TYR 589 CO 0.00 -0.37 -0.13 -0.07 -1.64 0.00 0.00 178.16 175.95 1qat h LEU 590 N -0.91 0.42 -0.41 2.82 3.38 -0.95 -1.96 115.31 117.70 1qat h LEU 590 Ca -0.07 -0.11 0.04 0.00 0.09 0.00 0.00 57.88 57.83 1qat h LEU 590 Cb 0.49 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.09 1qat h LEU 590 CO 0.11 0.59 0.19 1.23 0.09 0.00 0.00 178.44 180.65 1qat h GLY 591 N 0.90 0.55 1.00 0.83 0.00 -1.33 0.56 103.07 105.59 1qat h GLY 591 Ca 0.08 -0.13 0.01 0.00 0.00 0.00 0.00 47.33 47.28 1qat h GLY 591 CO 0.03 0.09 0.50 0.00 0.00 0.00 0.00 176.54 177.16 1qat n PHE 593 N -4.56 0.01 0.21 0.00 3.72 0.16 -2.87 117.46 114.12 1qat n PHE 593 Ca 0.07 -0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.57 1qat n PHE 593 Cb 0.02 0.00 0.26 0.00 -0.94 0.00 0.00 39.48 38.81 1qat n PHE 593 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 176.76 178.67 1qat h GLN 594 N 0.49 0.00 -7.23 -1.08 1.08 0.29 -3.30 115.11 105.37 1qat h GLN 594 Ca 0.00 0.00 -0.52 0.00 -1.45 0.00 0.00 58.65 56.68 1qat h GLN 594 Cb 0.10 0.00 0.16 0.00 -0.05 0.00 0.00 27.48 27.69 1qat h GLN 594 CO 0.00 0.17 0.33 0.34 -0.95 0.00 0.00 178.83 178.72 1qat s ASP 595 N -6.20 4.00 -1.26 1.46 -1.08 -1.14 -1.49 116.67 110.96 1qat s ASP 595 Ca 0.04 2.18 -0.08 0.00 -0.52 0.00 0.00 52.55 54.17 1qat s ASP 595 Cb 0.07 -2.57 0.01 0.00 -1.46 0.00 0.00 42.92 38.97 1qat s ASP 595 CO 0.67 -2.38 1.10 -3.20 0.52 0.00 0.00 175.17 171.88 1qat n ASN 596 N -3.23 -6.03 -0.08 -0.34 5.15 -1.08 -1.22 115.26 108.43 1qat n ASN 596 Ca 0.12 -0.50 -0.01 0.00 -0.60 0.00 0.00 54.58 53.58 1qat n ASN 596 Cb 0.51 -4.73 -0.00 0.00 -0.53 0.00 0.00 39.78 35.03 1qat n ASN 596 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1qat n GLY 597 N -1.90 0.34 3.64 8.20 0.00 0.94 -2.51 105.19 113.91 1qat n GLY 597 Ca 0.00 -0.06 -0.25 0.00 0.00 0.00 0.00 46.02 45.72 1qat n GLY 597 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qat n GLY 598 N -1.05 -0.54 0.48 -0.02 0.00 -0.36 -4.76 105.19 98.94 1qat n GLY 598 Ca -0.01 0.25 0.06 0.00 0.00 0.00 0.00 46.02 46.32 1qat n GLY 598 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qat n GLY 600 N 0.96 2.91 3.38 0.00 0.00 -1.26 -4.62 105.19 106.56 1qat n GLY 600 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 1qat n GLY 600 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1qat s TYR 601 N -1.73 2.64 -0.15 1.61 1.51 -1.26 -1.25 117.35 118.73 1qat s TYR 601 Ca 0.00 -0.47 -0.03 0.00 -1.01 0.00 0.00 57.07 55.56 1qat s TYR 601 Cb 0.00 -1.67 0.05 0.00 -0.11 0.00 0.00 41.96 40.23 1qat s TYR 601 CO 0.00 -0.05 0.04 0.08 -1.11 0.00 0.00 175.55 174.51 1qat s VAL 602 N -0.27 0.31 -0.11 0.71 1.01 -1.03 -4.89 120.40 116.14 1qat s VAL 602 Ca 0.01 -0.24 -0.32 0.00 0.00 0.00 0.00 61.98 61.43 1qat s VAL 602 Cb -0.13 -0.75 -0.10 0.00 0.00 0.00 0.00 36.38 35.40 1qat s VAL 602 CO 0.03 -0.08 2.00 -0.11 0.00 0.00 0.00 175.10 176.94 1qat n LEU 603 N 5.14 3.46 -4.73 3.92 7.94 -1.26 -1.16 117.00 130.31 1qat n LEU 603 Ca -0.08 0.76 -0.34 0.00 -1.11 0.00 0.00 56.01 55.24 1qat n LEU 603 Cb 0.48 -1.43 0.08 0.00 0.53 0.00 0.00 43.42 43.09 1qat n LEU 603 CO 0.11 -0.18 0.80 -0.54 -1.11 0.00 0.00 177.39 176.48 1qat s LYS 604 N 4.83 2.30 0.56 1.96 1.02 -0.81 -4.94 119.74 124.66 1qat s LYS 604 Ca 0.95 1.73 -0.20 0.00 0.02 0.00 0.00 55.97 58.48 1qat s LYS 604 Cb -0.58 -1.86 -0.06 0.00 -0.52 0.00 0.00 37.83 34.81 1qat s LYS 604 CO 0.46 -1.71 0.94 -2.30 -0.92 0.00 0.00 175.35 171.83 1qat n PRO 605 N -2.56 0.98 -0.33 -1.68 -0.02 -1.26 -4.76 135.00 125.37 1qat n PRO 605 Ca 0.13 0.37 0.21 0.00 -2.02 0.00 0.00 63.50 62.19 1qat n PRO 605 Cb 0.50 -2.12 0.47 0.00 -0.02 0.00 0.00 33.50 32.33 1qat n PRO 605 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1qat h ALA 606 N 0.70 2.09 0.00 3.55 0.00 -1.98 0.88 119.26 124.50 1qat h ALA 606 Ca -0.48 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1qat h ALA 606 Cb 1.36 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1qat h ALA 606 CO 0.52 -0.51 0.00 0.27 0.00 0.00 0.00 179.25 179.53 1qat h PHE 607 N 0.46 0.00 0.00 0.00 -0.00 -1.97 -0.91 116.94 114.53 1qat h PHE 607 Ca 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.57 1qat h PHE 607 Cb 1.39 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.34 1qat h PHE 607 CO -0.00 0.00 -0.98 1.28 -0.00 0.00 0.00 178.31 178.61 1qat n LEU 608 N -2.44 0.63 -1.52 2.10 4.77 0.30 -3.86 117.00 116.98 1qat n LEU 608 Ca 0.00 -0.08 0.09 0.00 -0.03 0.00 0.00 56.01 56.00 1qat n LEU 608 Cb 0.16 -0.10 0.35 0.00 -2.33 0.00 0.00 43.42 41.50 1qat n LEU 608 CO 0.18 0.08 0.81 0.54 -1.33 0.00 0.00 177.39 177.66 1qat n ARG 609 N -1.85 3.66 -3.41 3.23 1.74 -0.36 -4.41 116.66 115.27 1qat n ARG 609 Ca 0.02 -2.86 -0.44 0.00 -0.77 0.00 0.00 57.85 53.81 1qat n ARG 609 Cb 0.41 -1.86 -0.08 0.00 -1.02 0.00 0.00 32.46 29.91 1qat n ARG 609 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1qat s ASP 610 N -0.96 6.13 0.51 0.55 -1.08 -1.13 -4.94 116.67 115.76 1qat s ASP 610 Ca 0.50 -1.21 0.25 0.00 -0.52 0.00 0.00 52.55 51.57 1qat s ASP 610 Cb 0.32 -2.18 1.36 0.00 -1.46 0.00 0.00 42.92 40.97 1qat s ASP 610 CO 0.24 -0.59 1.95 1.55 0.52 0.00 0.00 175.17 178.84 1qat h PRO 611 N 8.72 0.07 -0.56 4.34 0.13 -1.88 -0.60 132.00 142.21 1qat h PRO 611 Ca -0.28 -0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1qat h PRO 611 Cb 1.11 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.23 1qat h PRO 611 CO 0.84 0.05 0.00 0.09 -0.23 0.00 0.00 178.00 178.74 1qat n ASN 612 N -4.37 5.67 -4.78 1.44 3.02 -1.26 -4.73 115.26 110.25 1qat n ASN 612 Ca 0.13 -2.95 -0.34 0.00 -0.03 0.00 0.00 54.58 51.39 1qat n ASN 612 Cb 0.70 -0.68 -0.01 0.00 -0.61 0.00 0.00 39.78 39.18 1qat n ASN 612 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1qat s THR 613 N -2.78 3.44 -0.33 3.41 -1.32 -0.23 -4.96 115.64 112.87 1qat s THR 613 Ca 0.54 0.86 0.15 0.00 -1.21 0.00 0.00 61.69 62.04 1qat s THR 613 Cb 0.42 -3.34 0.46 0.00 -1.51 0.00 0.00 72.50 68.53 1qat s THR 613 CO 0.16 -0.23 1.36 0.35 -2.21 0.00 0.00 174.62 174.05 1qat n THR 614 N -1.33 1.98 -2.27 5.08 -2.24 -1.26 -4.80 114.28 109.43 1qat n THR 614 Ca 0.10 -1.70 -0.41 0.00 -2.27 0.00 0.00 64.05 59.77 1qat n THR 614 Cb 0.52 -0.08 -0.03 0.00 -2.10 0.00 0.00 70.33 68.63 1qat n THR 614 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1qat s PHE 615 N -2.42 3.28 -0.28 4.78 5.36 -1.26 -4.84 117.98 122.60 1qat s PHE 615 Ca 0.37 1.53 0.01 0.00 -0.96 0.00 0.00 56.93 57.87 1qat s PHE 615 Cb 0.29 -3.51 0.15 0.00 -0.34 0.00 0.00 43.02 39.61 1qat s PHE 615 CO 0.10 -1.31 0.41 1.21 -1.46 0.00 0.00 175.22 174.17 1qat s ASN 616 N -0.61 0.25 0.56 6.13 3.84 -1.26 -3.40 114.94 120.45 1qat s ASN 616 Ca 0.47 -0.14 0.34 0.00 0.21 0.00 0.00 52.86 53.74 1qat s ASN 616 Cb -0.36 1.16 1.47 0.00 -0.55 0.00 0.00 41.25 42.97 1qat s ASN 616 CO 0.47 -0.33 1.76 -1.28 -2.79 0.00 0.00 177.10 174.93 1qat h SER 617 N 8.16 0.00 0.38 -4.21 0.87 -1.93 -0.91 113.55 115.90 1qat h SER 617 Ca -0.12 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.44 1qat h SER 617 Cb 1.13 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.09 1qat h SER 617 CO 0.27 0.00 -0.88 0.54 -0.53 0.00 0.00 176.83 176.22 1qat n ARG 618 N -3.96 0.16 -3.05 2.24 5.12 -1.26 -4.25 116.66 111.66 1qat n ARG 618 Ca 0.22 -0.00 -0.17 0.00 -1.93 0.00 0.00 57.85 55.97 1qat n ARG 618 Cb 1.17 -1.55 -0.03 0.00 -1.16 0.00 0.00 32.46 30.89 1qat n ARG 618 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1qat n ALA 619 N -1.69 0.68 -1.76 7.54 0.00 -0.37 -5.08 120.51 119.83 1qat n ALA 619 Ca 0.03 -2.30 -0.39 0.00 0.00 0.00 0.00 53.44 50.78 1qat n ALA 619 Cb 0.39 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.77 1qat n ALA 619 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1qat s LEU 620 N -0.20 4.10 0.00 0.00 1.43 -1.05 -4.53 118.68 118.44 1qat s LEU 620 Ca 0.33 2.61 0.00 0.00 -1.03 0.00 0.00 54.13 56.03 1qat s LEU 620 Cb 0.10 -4.05 0.00 0.00 0.03 0.00 0.00 46.19 42.28 1qat s LEU 620 CO -0.15 -1.01 0.00 0.35 0.23 0.00 0.00 176.35 175.77 1qat n THR 621 N -0.23 0.00 -4.74 5.49 -2.24 -1.26 -5.07 114.28 106.23 1qat n THR 621 Ca 0.06 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.52 1qat n THR 621 Cb 0.45 0.00 -0.13 0.00 -2.10 0.00 0.00 70.33 68.55 1qat n THR 621 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1qat s GLN 622 N 3.26 2.33 0.00 -0.78 -0.44 -1.26 -4.81 119.66 117.96 1qat s GLN 622 Ca 0.00 -0.82 0.00 0.00 -2.50 0.00 0.00 55.36 52.04 1qat s GLN 622 Cb 0.00 -2.32 0.00 0.00 -1.64 0.00 0.00 33.01 29.05 1qat s GLN 622 CO 0.00 0.59 0.00 0.41 0.50 0.00 0.00 175.29 176.79 1qat n GLY 623 N 1.89 -1.44 0.33 2.59 0.00 -1.26 -4.97 105.19 102.32 1qat n GLY 623 Ca -0.16 -1.01 0.22 0.00 0.00 0.00 0.00 46.02 45.07 1qat n GLY 623 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1qat h PRO 624 N 0.00 0.00 -0.02 1.61 0.11 -2.02 -1.70 132.00 129.98 1qat h PRO 624 Ca 0.00 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.91 1qat h PRO 624 Cb 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 1qat h PRO 624 CO 0.00 0.00 -0.85 0.11 -0.21 0.00 0.00 178.00 177.05 1qat h TRP 625 N 0.00 0.43 -2.46 0.65 0.09 -1.95 -3.40 115.95 109.30 1qat h TRP 625 Ca -0.00 -0.22 -0.56 0.00 0.09 0.00 0.00 58.89 58.20 1qat h TRP 625 Cb 0.05 -0.05 -0.09 0.00 0.08 0.00 0.00 29.16 29.15 1qat h TRP 625 CO 0.00 1.02 0.96 -0.46 0.09 0.00 0.00 178.44 180.05 1qat s TRP 626 N -3.33 2.37 -0.44 0.12 -0.11 -0.64 -4.37 118.94 112.54 1qat s TRP 626 Ca -0.04 -0.12 0.07 0.00 1.22 0.00 0.00 56.10 57.23 1qat s TRP 626 Cb 0.10 -4.56 0.24 0.00 -1.50 0.00 0.00 33.47 27.75 1qat s TRP 626 CO 0.84 -1.97 0.68 0.54 -4.62 0.00 0.00 176.95 172.42 1qat n ARG 627 N 9.01 0.73 -1.73 5.86 1.74 -0.66 -4.71 116.66 126.90 1qat n ARG 627 Ca 0.02 -2.55 -0.42 0.00 -0.77 0.00 0.00 57.85 54.13 1qat n ARG 627 Cb 0.48 -1.34 -0.02 0.00 -1.02 0.00 0.00 32.46 30.56 1qat n ARG 627 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1qat n PRO 628 N 1.57 2.75 -1.65 5.56 -0.04 -1.08 -4.57 135.00 137.54 1qat n PRO 628 Ca 0.16 0.98 0.00 0.00 -0.04 0.00 0.00 63.50 64.60 1qat n PRO 628 Cb 0.57 -2.80 0.00 0.00 -0.04 0.00 0.00 33.50 31.24 1qat n PRO 628 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1qat n GLU 629 N 2.96 2.18 -3.34 0.54 -0.58 -0.91 -4.78 120.64 116.73 1qat n GLU 629 Ca 0.12 0.00 -0.10 0.00 -0.42 0.00 0.00 57.16 56.76 1qat n GLU 629 Cb 0.36 0.00 -0.07 0.00 -0.57 0.00 0.00 31.44 31.16 1qat n GLU 629 CO 0.00 0.00 0.00 0.50 -0.48 0.00 0.00 177.13 177.15 1qat s ARG 630 N -1.57 0.37 0.01 3.49 3.52 -0.36 -2.92 118.95 121.49 1qat s ARG 630 Ca 0.00 0.35 -0.21 0.00 -0.13 0.00 0.00 55.73 55.73 1qat s ARG 630 Cb 0.00 -0.42 -0.06 0.00 -1.56 0.00 0.00 34.95 32.91 1qat s ARG 630 CO 0.00 -0.81 0.63 -1.17 -0.81 0.00 0.00 175.30 173.14 1qat s LEU 631 N 2.53 4.44 -0.18 -0.88 2.96 0.19 -2.09 118.68 125.65 1qat s LEU 631 Ca 0.11 1.23 0.00 0.00 -0.22 0.00 0.00 54.13 55.26 1qat s LEU 631 Cb -0.14 -2.98 0.04 0.00 0.50 0.00 0.00 46.19 43.60 1qat s LEU 631 CO -0.22 0.10 -0.10 -0.13 -1.32 0.00 0.00 176.35 174.68 1qat s ARG 632 N -0.26 1.97 -0.18 1.98 0.52 0.14 -1.06 118.95 122.07 1qat s ARG 632 Ca 0.32 -0.69 -0.00 0.00 -0.52 0.00 0.00 55.73 54.85 1qat s ARG 632 Cb -0.19 -2.23 0.01 0.00 0.52 0.00 0.00 34.95 33.06 1qat s ARG 632 CO 0.19 -0.37 -0.16 0.08 0.02 0.00 0.00 175.30 175.05 1qat s VAL 633 N 1.47 2.43 -0.57 3.52 1.01 -0.97 -1.35 120.40 125.95 1qat s VAL 633 Ca 0.01 -0.82 -0.20 0.00 0.00 0.00 0.00 61.98 60.97 1qat s VAL 633 Cb -0.15 -2.04 0.08 0.00 0.00 0.00 0.00 36.38 34.27 1qat s VAL 633 CO -0.09 0.51 0.72 -0.13 0.00 0.00 0.00 175.10 176.12 1qat s ARG 634 N 1.23 3.08 -0.92 2.72 1.81 -0.62 -1.33 118.95 124.92 1qat s ARG 634 Ca 0.03 -1.10 -0.24 0.00 -1.72 0.00 0.00 55.73 52.69 1qat s ARG 634 Cb -0.14 -4.21 0.01 0.00 -0.45 0.00 0.00 34.95 30.17 1qat s ARG 634 CO -0.08 -1.48 1.60 0.42 -0.68 0.00 0.00 175.30 175.07 1qat s ILE 635 N 2.88 3.72 0.00 1.52 -1.09 0.45 -2.59 121.20 126.09 1qat s ILE 635 Ca 0.14 -0.43 0.00 0.00 -2.23 0.00 0.00 60.65 58.13 1qat s ILE 635 Cb -0.21 -4.66 0.00 0.00 -1.58 0.00 0.00 42.46 36.00 1qat s ILE 635 CO 0.09 -1.57 0.07 -0.38 -1.23 0.00 0.00 174.94 171.91 1qat n ILE 636 N 7.13 0.00 -3.66 2.92 5.41 -1.01 -0.95 119.36 129.19 1qat n ILE 636 Ca 0.30 0.42 -0.12 0.00 1.00 0.00 0.00 62.75 64.35 1qat n ILE 636 Cb 0.50 -1.11 -0.12 0.00 -0.71 0.00 0.00 39.64 38.19 1qat n ILE 636 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1qat s SER 637 N -2.31 0.19 0.47 4.38 1.04 -0.80 -0.27 113.70 116.40 1qat s SER 637 Ca 0.00 0.68 -0.11 0.00 0.48 0.00 0.00 55.95 57.00 1qat s SER 637 Cb 0.00 0.83 -0.06 0.00 0.10 0.00 0.00 66.02 66.89 1qat s SER 637 CO 0.00 -0.23 0.86 -0.83 0.98 0.00 0.00 173.24 174.02 1qat s GLY 638 N 2.41 1.88 -0.12 7.32 0.00 -0.77 -0.24 107.32 117.80 1qat s GLY 638 Ca 0.00 -0.13 -0.10 0.00 0.00 0.00 0.00 44.72 44.50 1qat s GLY 638 CO -0.09 0.09 0.31 -0.86 0.00 0.00 0.00 173.10 172.55 1qat s GLN 639 N -4.20 0.34 -1.32 2.90 0.00 0.48 -3.28 119.66 114.58 1qat s GLN 639 Ca 0.53 0.47 -0.03 0.00 -0.00 0.00 0.00 55.36 56.34 1qat s GLN 639 Cb -0.10 0.12 0.01 0.00 0.00 0.00 0.00 33.01 33.04 1qat s GLN 639 CO 0.36 -0.07 0.82 1.04 0.00 0.00 0.00 175.29 177.44 1qat n GLN 640 N 3.20 -5.50 -2.21 9.60 6.02 -0.32 -2.11 117.38 126.06 1qat n GLN 640 Ca -0.15 0.67 -0.42 0.00 -0.01 0.00 0.00 57.00 57.09 1qat n GLN 640 Cb 0.57 -5.39 -0.03 0.00 1.02 0.00 0.00 30.24 26.41 1qat n GLN 640 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1qat s LEU 641 N -6.75 4.38 0.17 1.08 1.02 -0.57 -3.89 118.68 114.13 1qat s LEU 641 Ca 0.13 2.31 -0.31 0.00 0.02 0.00 0.00 54.13 56.28 1qat s LEU 641 Cb -0.06 -3.59 -0.09 0.00 0.02 0.00 0.00 46.19 42.46 1qat s LEU 641 CO 0.79 -0.60 1.43 -2.16 0.02 0.00 0.00 176.35 175.84 1qat s PRO 642 N 0.80 4.29 -0.45 1.29 0.04 -1.26 -4.70 135.00 135.01 1qat s PRO 642 Ca 0.62 2.20 -0.29 0.00 0.04 0.00 0.00 61.00 63.57 1qat s PRO 642 Cb -0.36 -3.18 -0.09 0.00 0.04 0.00 0.00 34.50 30.91 1qat s PRO 642 CO 0.32 -0.45 2.36 0.36 0.04 0.00 0.00 177.00 179.63 1qat n LYS 643 N 3.34 1.16 -0.54 4.56 0.00 -1.26 -4.68 118.16 120.74 1qat n LYS 643 Ca 0.10 0.19 0.00 0.00 -0.00 0.00 0.00 58.31 58.60 1qat n LYS 643 Cb 0.41 -2.98 0.00 0.00 -0.00 0.00 0.00 35.03 32.45 1qat n LYS 643 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.40 178.73 1qat n VAL 644 N 7.73 0.00 0.00 0.58 0.24 -1.26 -3.15 118.33 122.47 1qat n VAL 644 Ca 0.39 -0.19 0.00 0.00 -2.04 0.00 0.00 64.34 62.50 1qat n VAL 644 Cb 0.40 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.77 1qat n VAL 644 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1qat n ASN 645 N 2.11 0.00 -4.41 -1.34 5.15 -1.26 -4.84 115.26 110.67 1qat n ASN 645 Ca 0.00 0.00 -0.11 0.00 -0.60 0.00 0.00 54.58 53.87 1qat n ASN 645 Cb 0.10 -0.54 -0.09 0.00 -0.53 0.00 0.00 39.78 38.72 1qat n ASN 645 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1qat n LYS 646 N -1.54 0.12 -0.30 1.20 4.01 -1.19 -4.72 118.16 115.75 1qat n LYS 646 Ca 0.00 -1.02 0.11 0.00 -0.51 0.00 0.00 58.31 56.89 1qat n LYS 646 Cb 0.00 -2.93 0.28 0.00 -0.51 0.00 0.00 35.03 31.88 1qat n LYS 646 CO 0.00 0.00 0.00 -0.91 -1.11 0.00 0.00 177.40 175.38 1qat h ASN 647 N 11.05 0.38 -3.50 4.39 4.21 -1.88 -3.35 115.58 126.88 1qat h ASN 647 Ca 0.00 0.14 -0.57 0.00 1.21 0.00 0.00 56.30 57.08 1qat h ASN 647 Cb 1.01 0.10 -0.07 0.00 -1.12 0.00 0.00 38.32 38.24 1qat h ASN 647 CO 1.04 0.06 0.90 -0.54 -1.29 0.00 0.00 177.43 177.61 1qat s LYS 648 N -5.91 3.87 0.08 0.81 -0.14 -1.26 -4.97 119.74 112.22 1qat s LYS 648 Ca -0.12 0.83 -0.33 0.00 -1.36 0.00 0.00 55.97 54.99 1qat s LYS 648 Cb 0.24 -3.84 -0.12 0.00 -1.68 0.00 0.00 37.83 32.43 1qat s LYS 648 CO 0.78 -1.18 1.77 0.09 -0.76 0.00 0.00 175.35 176.05 1qat n ASN 649 N 7.46 3.60 0.00 2.83 3.02 -1.26 -4.89 115.26 126.04 1qat n ASN 649 Ca 0.12 1.01 0.00 0.00 -0.03 0.00 0.00 54.58 55.69 1qat n ASN 649 Cb 0.48 -1.47 0.00 0.00 -0.61 0.00 0.00 39.78 38.18 1qat n ASN 649 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1qat n SER 650 N 5.21 2.21 -3.74 6.41 3.41 -1.26 -5.18 113.62 120.68 1qat n SER 650 Ca 0.19 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.67 1qat n SER 650 Cb 0.33 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.18 1qat n SER 650 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1qat s ILE 651 N 0.98 0.01 0.98 -1.33 1.09 -1.26 -5.13 121.20 116.54 1qat s ILE 651 Ca 0.00 -0.10 -0.16 0.00 -1.10 0.00 0.00 60.65 59.29 1qat s ILE 651 Cb 0.00 -0.58 0.19 0.00 -1.06 0.00 0.00 42.46 41.01 1qat s ILE 651 CO 0.00 -0.06 1.25 -0.69 -0.10 0.00 0.00 174.94 175.34 1qat s VAL 652 N -0.17 1.93 -0.40 2.92 1.01 -1.26 -4.86 120.40 119.56 1qat s VAL 652 Ca -0.03 0.00 0.03 0.00 0.00 0.00 0.00 61.98 61.97 1qat s VAL 652 Cb -0.03 -2.88 0.16 0.00 0.00 0.00 0.00 36.38 33.63 1qat s VAL 652 CO 0.02 0.00 0.29 -1.81 0.00 0.00 0.00 175.10 173.60 1qat s ASP 653 N -4.58 2.18 0.62 3.32 1.01 -1.26 -2.62 116.67 115.35 1qat s ASP 653 Ca 0.71 -2.76 -0.17 0.00 0.71 0.00 0.00 52.55 51.05 1qat s ASP 653 Cb -0.07 -0.48 -0.02 0.00 1.01 0.00 0.00 42.92 43.36 1qat s ASP 653 CO 0.53 -0.22 1.13 -2.84 0.21 0.00 0.00 175.17 173.98 1qat s PRO 654 N 0.39 2.93 -0.29 8.23 0.02 -1.23 -1.24 135.00 143.81 1qat s PRO 654 Ca 0.27 1.52 -0.15 0.00 0.02 0.00 0.00 61.00 62.66 1qat s PRO 654 Cb -0.07 -1.96 0.11 0.00 0.02 0.00 0.00 34.50 32.60 1qat s PRO 654 CO -0.11 -1.17 0.75 -1.59 -0.33 0.00 0.00 177.00 174.55 1qat s LYS 655 N -3.77 0.60 -0.25 5.54 -2.85 -0.52 -0.32 119.74 118.17 1qat s LYS 655 Ca 0.70 1.14 -0.11 0.00 -1.00 0.00 0.00 55.97 56.71 1qat s LYS 655 Cb -0.23 0.30 -0.05 0.00 -2.06 0.00 0.00 37.83 35.79 1qat s LYS 655 CO 0.37 -0.14 0.16 0.08 0.10 0.00 0.00 175.35 175.92 1qat s VAL 656 N 1.90 5.32 -0.23 1.79 1.01 -1.26 -0.75 120.40 128.18 1qat s VAL 656 Ca -0.09 0.17 -0.09 0.00 0.00 0.00 0.00 61.98 61.97 1qat s VAL 656 Cb -0.06 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.78 1qat s VAL 656 CO -0.19 0.32 0.12 -0.63 0.00 0.00 0.00 175.10 174.72 1qat s ILE 657 N 1.24 4.95 -0.19 2.22 1.09 0.28 -0.58 121.20 130.21 1qat s ILE 657 Ca 0.07 0.04 -0.03 0.00 -1.10 0.00 0.00 60.65 59.63 1qat s ILE 657 Cb -0.14 -3.30 -0.01 0.00 -1.06 0.00 0.00 42.46 37.95 1qat s ILE 657 CO 0.06 0.36 -0.05 -0.69 -0.10 0.00 0.00 174.94 174.52 1qat s VAL 658 N 1.12 3.47 -0.01 2.92 1.01 0.98 -0.18 120.40 129.71 1qat s VAL 658 Ca 0.06 -0.48 0.03 0.00 0.00 0.00 0.00 61.98 61.59 1qat s VAL 658 Cb -0.14 -2.55 -0.01 0.00 0.00 0.00 0.00 36.38 33.68 1qat s VAL 658 CO 0.04 0.45 -0.11 -1.83 0.00 0.00 0.00 175.10 173.66 1qat s GLU 659 N 1.09 0.86 -0.26 2.72 -1.05 -0.43 0.29 118.70 121.92 1qat s GLU 659 Ca 0.01 -0.38 -0.10 0.00 -0.15 0.00 0.00 54.97 54.35 1qat s GLU 659 Cb -0.15 -0.83 -0.05 0.00 -0.44 0.00 0.00 34.13 32.67 1qat s GLU 659 CO -0.00 0.23 0.16 0.42 0.95 0.00 0.00 175.26 177.01 1qat s ILE 660 N -0.24 5.11 -0.22 1.83 -1.09 0.08 -0.86 121.20 125.80 1qat s ILE 660 Ca 0.04 0.10 -0.07 0.00 -2.23 0.00 0.00 60.65 58.49 1qat s ILE 660 Cb -0.04 -3.41 -0.03 0.00 -1.58 0.00 0.00 42.46 37.40 1qat s ILE 660 CO -0.00 0.29 0.05 -1.00 -1.23 0.00 0.00 174.94 173.04 1qat s HIS 661 N 1.56 3.09 0.00 3.97 3.76 -0.18 -1.61 115.29 125.87 1qat s HIS 661 Ca 0.07 -0.36 0.00 0.00 -0.15 0.00 0.00 55.06 54.61 1qat s HIS 661 Cb -0.15 -2.16 0.00 0.00 1.11 0.00 0.00 32.58 31.37 1qat s HIS 661 CO 0.08 -0.25 0.00 0.41 -0.85 0.00 0.00 174.74 174.13 1qat n GLY 662 N 4.50 1.63 3.70 -2.22 0.00 -1.26 -0.21 105.19 111.33 1qat n GLY 662 Ca -0.17 -0.24 -0.33 0.00 0.00 0.00 0.00 46.02 45.28 1qat n GLY 662 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1qat s VAL 663 N -0.67 2.20 0.13 1.61 -7.23 -1.26 -4.61 120.40 110.58 1qat s VAL 663 Ca 0.00 0.08 -0.23 0.00 -1.81 0.00 0.00 61.98 60.03 1qat s VAL 663 Cb 0.00 -2.40 -0.02 0.00 0.56 0.00 0.00 36.38 34.52 1qat s VAL 663 CO 0.00 -0.07 1.20 0.61 -0.31 0.00 0.00 175.10 176.53 1qat n GLY 664 N 0.26 -1.96 0.27 2.32 0.00 -1.26 -1.51 105.19 103.30 1qat n GLY 664 Ca 0.13 0.92 -0.06 0.00 0.00 0.00 0.00 46.02 47.00 1qat n GLY 664 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1qat h ARG 665 N 0.00 -0.16 0.00 1.61 3.08 -1.90 -2.10 114.38 114.92 1qat h ARG 665 Ca 0.15 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.21 1qat h ARG 665 Cb 0.34 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.43 1qat h ARG 665 CO -0.74 -0.11 0.00 -0.25 -1.07 0.00 0.00 179.97 177.81 1qat n ASP 666 N -5.39 0.00 -4.56 7.04 8.00 -0.57 -4.70 116.55 116.37 1qat n ASP 666 Ca 0.02 -0.05 -0.36 0.00 0.71 0.00 0.00 54.79 55.11 1qat n ASP 666 Cb 0.30 -0.25 -0.04 0.00 -0.02 0.00 0.00 41.12 41.11 1qat n ASP 666 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1qat s THR 667 N -2.51 3.57 0.41 -3.53 2.01 -0.79 -4.52 115.64 110.28 1qat s THR 667 Ca 0.19 -0.16 0.05 0.00 0.31 0.00 0.00 61.69 62.08 1qat s THR 667 Cb 0.13 -4.38 -0.02 0.00 0.01 0.00 0.00 72.50 68.24 1qat s THR 667 CO 0.28 -1.32 0.18 -0.83 -0.69 0.00 0.00 174.62 172.24 1qat s GLY 668 N 6.62 2.67 -0.15 4.40 0.00 -0.63 -4.99 107.32 115.24 1qat s GLY 668 Ca 0.58 -1.32 -0.29 0.00 0.00 0.00 0.00 44.72 43.69 1qat s GLY 668 CO 0.06 -1.76 0.85 -0.45 0.00 0.00 0.00 173.10 171.79 1qat s SER 669 N -3.58 -0.54 0.24 1.64 0.15 -1.26 -0.74 113.70 109.60 1qat s SER 669 Ca 0.26 0.73 -0.02 0.00 0.70 0.00 0.00 55.95 57.62 1qat s SER 669 Cb 0.01 0.63 -0.03 0.00 -1.71 0.00 0.00 66.02 64.92 1qat s SER 669 CO 0.18 -0.40 0.22 -0.13 1.20 0.00 0.00 173.24 174.31 1qat s ARG 670 N -0.75 1.38 -0.02 5.44 1.81 0.15 -4.98 118.95 121.97 1qat s ARG 670 Ca -0.04 -1.64 -0.29 0.00 -1.72 0.00 0.00 55.73 52.04 1qat s ARG 670 Cb -0.02 0.32 0.09 0.00 -0.45 0.00 0.00 34.95 34.90 1qat s ARG 670 CO 0.04 -0.49 0.79 1.14 -0.68 0.00 0.00 175.30 176.10 1qat s GLN 671 N -3.96 0.93 0.76 3.54 -2.07 -1.26 -0.01 119.66 117.58 1qat s GLN 671 Ca 0.36 -0.07 -0.03 0.00 -1.82 0.00 0.00 55.36 53.80 1qat s GLN 671 Cb 0.05 0.43 0.14 0.00 -1.09 0.00 0.00 33.01 32.54 1qat s GLN 671 CO 0.14 -0.35 1.04 0.95 -1.32 0.00 0.00 175.29 175.76 1qat s THR 672 N -2.22 2.12 0.34 3.63 -4.23 0.26 -4.98 115.64 110.55 1qat s THR 672 Ca -0.02 -0.50 -0.19 0.00 -1.18 0.00 0.00 61.69 59.80 1qat s THR 672 Cb -0.01 -2.62 -0.10 0.00 1.34 0.00 0.00 72.50 71.12 1qat s THR 672 CO -0.02 0.00 0.83 0.00 -0.54 0.00 0.00 174.62 174.89 1qat s ALA 673 N -3.26 3.23 0.24 3.99 0.00 -1.26 -4.60 121.76 120.10 1qat s ALA 673 Ca 0.67 0.25 -0.30 0.00 0.00 0.00 0.00 51.96 52.58 1qat s ALA 673 Cb -0.05 -2.96 -0.10 0.00 0.00 0.00 0.00 23.12 20.01 1qat s ALA 673 CO 0.46 0.24 1.44 0.08 0.00 0.00 0.00 175.76 177.98 1qat s VAL 674 N -1.92 2.70 -0.56 0.00 1.01 -1.26 -4.69 120.40 115.68 1qat s VAL 674 Ca 0.54 0.57 -0.17 0.00 0.00 0.00 0.00 61.98 62.92 1qat s VAL 674 Cb -0.12 -3.37 0.12 0.00 0.00 0.00 0.00 36.38 33.01 1qat s VAL 674 CO 0.17 0.09 0.59 -0.63 0.00 0.00 0.00 175.10 175.32 1qat s ILE 675 N 0.13 5.03 -0.03 2.22 -1.09 0.57 -4.98 121.20 123.05 1qat s ILE 675 Ca 0.60 -1.26 -0.36 0.00 -2.23 0.00 0.00 60.65 57.40 1qat s ILE 675 Cb -0.42 -4.40 -0.15 0.00 -1.58 0.00 0.00 42.46 35.91 1qat s ILE 675 CO 0.42 -0.98 1.63 1.07 -1.23 0.00 0.00 174.94 175.84 1qat n THR 676 N 5.39 0.22 -3.23 2.92 5.66 -1.26 -3.53 114.28 120.44 1qat n THR 676 Ca -0.12 -0.04 -0.32 0.00 -3.05 0.00 0.00 64.05 60.53 1qat n THR 676 Cb 0.41 -1.35 0.03 0.00 -1.55 0.00 0.00 70.33 67.87 1qat n THR 676 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 1qat n ASN 677 N 4.45 -5.05 0.00 1.09 3.02 -1.08 -4.99 115.26 112.70 1qat n ASN 677 Ca 0.21 -0.09 0.00 0.00 -0.03 0.00 0.00 54.58 54.67 1qat n ASN 677 Cb 0.22 -1.43 0.00 0.00 -0.61 0.00 0.00 39.78 37.96 1qat n ASN 677 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1qat n ASN 678 N 0.11 0.00 -0.01 6.41 2.85 -1.13 -4.95 115.26 118.54 1qat n ASN 678 Ca -0.07 0.00 0.09 0.00 -0.11 0.00 0.00 54.58 54.49 1qat n ASN 678 Cb 0.60 0.00 -0.13 0.00 1.24 0.00 0.00 39.78 41.49 1qat n ASN 678 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1qat n GLY 679 N 0.00 -0.77 0.12 8.20 0.00 -1.26 -4.06 105.19 107.42 1qat n GLY 679 Ca 0.00 -0.42 -0.11 0.00 0.00 0.00 0.00 46.02 45.49 1qat n GLY 679 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1qat h PHE 680 N 0.00 -0.17 -0.81 1.61 3.57 -1.91 -1.50 116.94 117.73 1qat h PHE 680 Ca 0.00 -0.00 -0.42 0.00 3.53 0.00 0.00 57.97 61.07 1qat h PHE 680 Cb 0.75 0.06 -0.41 0.00 2.79 0.00 0.00 35.95 39.14 1qat h PHE 680 CO 0.00 0.30 -0.97 0.27 -2.23 0.00 0.00 178.31 175.68 1qat n ASN 681 N -4.90 3.21 -4.77 0.41 6.94 -1.26 -1.18 115.26 113.71 1qat n ASN 681 Ca -0.08 -3.00 -0.41 0.00 -0.02 0.00 0.00 54.58 51.07 1qat n ASN 681 Cb 0.27 -0.44 -0.01 0.00 -2.36 0.00 0.00 39.78 37.24 1qat n ASN 681 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 1qat s PRO 682 N -3.58 4.19 -0.06 -0.53 0.04 -1.21 -4.91 135.00 128.94 1qat s PRO 682 Ca 0.39 2.46 0.05 0.00 0.04 0.00 0.00 61.00 63.93 1qat s PRO 682 Cb 0.39 -3.02 -0.01 0.00 0.04 0.00 0.00 34.50 31.90 1qat s PRO 682 CO -0.02 -0.46 -0.22 0.50 0.04 0.00 0.00 177.00 176.84 1qat s ARG 683 N -1.46 2.33 0.00 4.56 3.52 -1.26 -1.84 118.95 124.80 1qat s ARG 683 Ca 0.55 -0.78 0.00 0.00 -0.13 0.00 0.00 55.73 55.37 1qat s ARG 683 Cb -0.45 -1.94 0.00 0.00 -1.56 0.00 0.00 34.95 31.00 1qat s ARG 683 CO 0.55 0.29 0.00 0.91 -0.81 0.00 0.00 175.30 176.24 1qat n TRP 684 N 3.14 0.00 -4.21 5.12 8.01 0.63 -4.99 117.44 125.14 1qat n TRP 684 Ca -0.18 0.00 -0.35 0.00 -1.31 0.00 0.00 57.50 55.66 1qat n TRP 684 Cb 0.52 0.00 -0.04 0.00 -2.01 0.00 0.00 31.31 29.79 1qat n TRP 684 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 1qat n ASP 685 N -2.57 -2.34 -4.26 -0.99 8.00 -0.13 -4.93 116.55 109.33 1qat n ASP 685 Ca 0.00 -1.05 -0.32 0.00 0.71 0.00 0.00 54.79 54.12 1qat n ASP 685 Cb 0.48 -2.63 -0.16 0.00 -0.02 0.00 0.00 41.12 38.79 1qat n ASP 685 CO 0.00 0.00 0.00 -0.32 -0.39 0.00 0.00 177.20 176.49 1qat s MET 686 N -6.92 3.16 -0.14 -1.24 1.75 -0.68 -4.94 119.30 110.29 1qat s MET 686 Ca 0.57 -0.80 -0.08 0.00 -1.25 0.00 0.00 55.69 54.13 1qat s MET 686 Cb -0.31 -2.46 -0.04 0.00 2.84 0.00 0.00 34.83 34.86 1qat s MET 686 CO 0.94 0.14 0.14 -2.00 -0.65 0.00 0.00 175.02 173.58 1qat s GLU 687 N 0.48 3.59 0.33 4.11 2.12 -1.26 -0.41 118.70 127.66 1qat s GLU 687 Ca -0.13 -0.15 0.09 0.00 0.36 0.00 0.00 54.97 55.14 1qat s GLU 687 Cb -0.17 -3.24 -0.05 0.00 0.26 0.00 0.00 34.13 30.94 1qat s GLU 687 CO 0.05 0.68 0.05 -0.06 -0.54 0.00 0.00 175.26 175.45 1qat s PHE 688 N -0.74 2.63 -0.12 5.30 0.08 -0.44 -4.96 117.98 119.73 1qat s PHE 688 Ca 0.14 -0.38 -0.05 0.00 0.12 0.00 0.00 56.93 56.76 1qat s PHE 688 Cb -0.12 -1.48 0.06 0.00 -0.57 0.00 0.00 43.02 40.90 1qat s PHE 688 CO 0.03 0.46 0.24 -2.00 -0.10 0.00 0.00 175.22 173.85 1qat s GLU 689 N -3.75 0.15 0.08 0.44 2.12 -1.26 -2.28 118.70 114.20 1qat s GLU 689 Ca 0.35 0.66 0.10 0.00 0.36 0.00 0.00 54.97 56.44 1qat s GLU 689 Cb -0.02 -0.09 -0.03 0.00 0.26 0.00 0.00 34.13 34.24 1qat s GLU 689 CO 0.21 -0.25 -0.26 -0.06 -0.54 0.00 0.00 175.26 174.36 1qat s PHE 690 N 2.08 2.35 -0.22 5.30 0.08 -0.22 -4.99 117.98 122.36 1qat s PHE 690 Ca -0.01 -0.38 -0.04 0.00 0.12 0.00 0.00 56.93 56.61 1qat s PHE 690 Cb -0.12 -1.34 -0.01 0.00 -0.57 0.00 0.00 43.02 40.99 1qat s PHE 690 CO -0.08 0.24 -0.03 -2.00 -0.10 0.00 0.00 175.22 173.25 1qat s GLU 691 N -1.65 3.43 -0.46 0.44 -6.30 -1.26 -0.64 118.70 112.26 1qat s GLU 691 Ca 0.13 -0.60 0.01 0.00 -2.50 0.00 0.00 54.97 52.01 1qat s GLU 691 Cb -0.10 -3.04 0.12 0.00 0.00 0.00 0.00 34.13 31.11 1qat s GLU 691 CO 0.04 -0.17 0.22 0.08 0.02 0.00 0.00 175.26 175.45 1qat s VAL 692 N 1.43 2.91 0.22 3.70 1.01 -1.15 -4.76 120.40 123.76 1qat s VAL 692 Ca 0.05 -2.63 -0.09 0.00 0.00 0.00 0.00 61.98 59.31 1qat s VAL 692 Cb -0.14 -3.01 0.18 0.00 0.00 0.00 0.00 36.38 33.41 1qat s VAL 692 CO -0.02 -0.73 1.89 0.71 0.00 0.00 0.00 175.10 176.96 1qat h THR 693 N 6.01 1.21 -3.11 3.92 1.35 -1.88 -2.42 112.91 117.99 1qat h THR 693 Ca -0.07 -0.38 -0.62 0.00 -0.55 0.00 0.00 66.41 64.79 1qat h THR 693 Cb 0.98 -0.00 -0.41 0.00 -1.73 0.00 0.00 68.15 66.99 1qat h THR 693 CO 0.65 0.20 -0.63 -0.69 -0.25 0.00 0.00 175.52 174.80 1qat s VAL 694 N -6.13 2.49 0.24 6.82 1.01 -1.26 -1.65 120.40 121.92 1qat s VAL 694 Ca -0.13 -3.74 -0.04 0.00 0.00 0.00 0.00 61.98 58.07 1qat s VAL 694 Cb 0.16 -2.67 0.12 0.00 0.00 0.00 0.00 36.38 33.99 1qat s VAL 694 CO 0.79 -0.95 1.76 -0.65 0.00 0.00 0.00 175.10 176.05 1qat h PRO 695 N 5.84 0.93 0.00 2.72 0.11 -1.80 -3.20 132.00 136.60 1qat h PRO 695 Ca 0.08 -0.23 0.00 0.00 0.11 0.00 0.00 66.00 65.96 1qat h PRO 695 Cb 0.82 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.81 1qat h PRO 695 CO 0.66 0.86 0.00 -0.44 -0.21 0.00 0.00 178.00 178.88 1qat h ASP 696 N 0.88 0.00 -0.28 -2.05 3.32 -1.94 1.00 116.42 117.35 1qat h ASP 696 Ca 0.18 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.23 1qat h ASP 696 Cb 0.39 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.94 1qat h ASP 696 CO 0.01 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.71 1qat n LEU 697 N -2.35 2.75 -4.92 1.55 4.77 -1.21 -4.84 117.00 112.75 1qat n LEU 697 Ca -0.01 -1.69 -0.27 0.00 -0.03 0.00 0.00 56.01 54.00 1qat n LEU 697 Cb 0.05 -0.18 -0.03 0.00 -2.33 0.00 0.00 43.42 40.93 1qat n LEU 697 CO 0.12 0.65 0.11 0.00 -1.33 0.00 0.00 177.39 176.94 1qat s ALA 698 N -1.02 3.73 -0.05 -1.18 0.00 0.34 -4.37 121.76 119.22 1qat s ALA 698 Ca 0.23 -0.73 -0.02 0.00 0.00 0.00 0.00 51.96 51.43 1qat s ALA 698 Cb 0.13 -2.13 0.03 0.00 0.00 0.00 0.00 23.12 21.15 1qat s ALA 698 CO 0.17 0.30 0.10 -0.51 0.00 0.00 0.00 175.76 175.83 1qat s LEU 699 N -3.54 1.00 -0.29 0.00 1.02 0.70 -1.02 118.68 116.55 1qat s LEU 699 Ca 0.41 0.21 -0.13 0.00 0.02 0.00 0.00 54.13 54.63 1qat s LEU 699 Cb -0.11 0.24 -0.04 0.00 0.02 0.00 0.00 46.19 46.31 1qat s LEU 699 CO 0.30 -0.12 0.29 -0.69 0.02 0.00 0.00 176.35 176.15 1qat s VAL 700 N 0.92 5.23 -0.27 -1.59 1.01 0.15 -1.01 120.40 124.84 1qat s VAL 700 Ca -0.07 0.27 -0.04 0.00 0.00 0.00 0.00 61.98 62.13 1qat s VAL 700 Cb -0.10 -3.65 0.02 0.00 0.00 0.00 0.00 36.38 32.65 1qat s VAL 700 CO -0.04 0.14 0.01 -0.60 0.00 0.00 0.00 175.10 174.61 1qat s ARG 701 N 1.91 2.94 -0.31 2.72 3.52 -0.04 -0.46 118.95 129.23 1qat s ARG 701 Ca 0.11 -0.93 -0.14 0.00 -0.13 0.00 0.00 55.73 54.63 1qat s ARG 701 Cb -0.16 -3.19 -0.03 0.00 -1.56 0.00 0.00 34.95 30.01 1qat s ARG 701 CO 0.11 -0.43 0.33 -0.06 -0.81 0.00 0.00 175.30 174.44 1qat s PHE 702 N 1.41 3.22 -0.03 5.12 0.40 -0.30 -1.31 117.98 126.48 1qat s PHE 702 Ca 0.01 0.13 0.05 0.00 -0.60 0.00 0.00 56.93 56.52 1qat s PHE 702 Cb -0.17 -2.59 -0.01 0.00 0.51 0.00 0.00 43.02 40.77 1qat s PHE 702 CO -0.01 -0.32 -0.17 1.41 0.70 0.00 0.00 175.22 176.83 1qat s MET 703 N 1.98 1.66 -0.13 0.44 1.75 0.75 -0.71 119.30 125.05 1qat s MET 703 Ca 0.12 -0.62 0.01 0.00 -1.25 0.00 0.00 55.69 53.95 1qat s MET 703 Cb -0.16 -1.49 -0.01 0.00 2.84 0.00 0.00 34.83 36.00 1qat s MET 703 CO 0.11 0.29 -0.16 0.08 -0.65 0.00 0.00 175.02 174.69 1qat s VAL 704 N -0.11 2.80 0.30 10.11 1.01 -0.10 0.10 120.40 134.50 1qat s VAL 704 Ca -0.00 -0.75 0.10 0.00 0.00 0.00 0.00 61.98 61.33 1qat s VAL 704 Cb -0.10 -2.16 -0.05 0.00 0.00 0.00 0.00 36.38 34.07 1qat s VAL 704 CO 0.01 0.53 -0.10 -1.61 0.00 0.00 0.00 175.10 173.94 1qat s GLU 705 N 0.41 1.93 0.00 2.72 2.02 0.07 -1.39 118.70 124.47 1qat s GLU 705 Ca -0.12 -1.70 0.00 0.00 0.02 0.00 0.00 54.97 53.17 1qat s GLU 705 Cb -0.16 -1.89 0.00 0.00 0.10 0.00 0.00 34.13 32.18 1qat s GLU 705 CO 0.06 0.28 0.00 -3.47 0.02 0.00 0.00 175.26 172.14 1qat n ASP 706 N -0.78 0.00 -3.65 -0.19 2.03 0.82 -1.44 116.55 113.35 1qat n ASP 706 Ca -0.05 -0.95 -0.00 0.00 0.52 0.00 0.00 54.79 54.30 1qat n ASP 706 Cb 0.61 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.94 1qat n ASP 706 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 1qat s TYR 707 N 0.62 -0.33 -0.37 -0.67 6.14 -0.37 -4.44 117.35 117.93 1qat s TYR 707 Ca 0.00 0.67 0.13 0.00 0.64 0.00 0.00 57.07 58.51 1qat s TYR 707 Cb 0.00 0.21 0.40 0.00 0.42 0.00 0.00 41.96 42.98 1qat s TYR 707 CO 0.00 -0.17 1.02 -0.25 0.64 0.00 0.00 175.55 176.79 1qat n ASP 708 N 3.38 -0.02 -3.04 4.32 9.92 -1.26 -4.58 116.55 125.27 1qat n ASP 708 Ca -0.18 -2.86 -0.07 0.00 -0.53 0.00 0.00 54.79 51.16 1qat n ASP 708 Cb 0.57 0.16 0.01 0.00 -0.64 0.00 0.00 41.12 41.21 1qat n ASP 708 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 1qat n SER 709 N -0.05 -7.08 0.00 -2.24 2.88 -1.26 -3.14 113.62 102.72 1qat n SER 709 Ca 0.09 0.69 0.00 0.00 -1.33 0.00 0.00 58.87 58.32 1qat n SER 709 Cb 0.77 -3.33 0.00 0.00 -0.75 0.00 0.00 64.21 60.91 1qat n SER 709 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1qat n SER 710 N 0.68 0.00 -4.57 -3.46 2.88 -1.26 -4.84 113.62 103.06 1qat n SER 710 Ca 0.00 0.00 -0.35 0.00 -1.33 0.00 0.00 58.87 57.19 1qat n SER 710 Cb 0.35 -1.34 -0.04 0.00 -0.75 0.00 0.00 64.21 62.44 1qat n SER 710 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1qat s SER 711 N -1.70 5.96 0.00 -3.46 0.15 -1.19 -4.38 113.70 109.08 1qat s SER 711 Ca 0.00 -1.37 0.00 0.00 0.70 0.00 0.00 55.95 55.28 1qat s SER 711 Cb 0.00 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.74 1qat s SER 711 CO 0.00 -2.02 0.00 2.29 1.20 0.00 0.00 173.24 174.71 1qat n LYS 712 N 8.74 0.00 -3.37 5.44 -0.00 -1.26 -4.56 118.16 123.15 1qat n LYS 712 Ca 0.39 0.00 -0.19 0.00 -0.00 0.00 0.00 58.31 58.50 1qat n LYS 712 Cb 0.49 0.00 0.06 0.00 -0.00 0.00 0.00 35.03 35.58 1qat n LYS 712 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1qat n ASN 713 N 2.27 -6.32 -4.35 -5.58 4.13 -1.26 -4.89 115.26 99.26 1qat n ASN 713 Ca 0.00 -0.78 -0.39 0.00 1.68 0.00 0.00 54.58 55.09 1qat n ASN 713 Cb 0.00 -4.70 0.02 0.00 -1.54 0.00 0.00 39.78 33.56 1qat n ASN 713 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1qat n ASP 714 N -3.05 -2.43 -4.74 6.41 8.00 -1.26 -4.34 116.55 115.14 1qat n ASP 714 Ca -0.08 0.70 -0.40 0.00 0.71 0.00 0.00 54.79 55.73 1qat n ASP 714 Cb 0.61 -1.00 -0.05 0.00 -0.02 0.00 0.00 41.12 40.66 1qat n ASP 714 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1qat s PHE 715 N -1.86 3.76 -0.18 1.24 2.19 -1.26 -0.13 117.98 121.75 1qat s PHE 715 Ca 0.62 1.55 -0.09 0.00 0.33 0.00 0.00 56.93 59.34 1qat s PHE 715 Cb -0.48 -2.86 -0.08 0.00 -1.31 0.00 0.00 43.02 38.29 1qat s PHE 715 CO 0.61 0.28 -0.24 -0.89 1.83 0.00 0.00 175.22 176.80 1qat n ILE 716 N 2.71 1.04 -3.60 3.12 5.41 -0.48 -4.85 119.36 122.72 1qat n ILE 716 Ca -0.02 -0.23 0.01 0.00 1.00 0.00 0.00 62.75 63.51 1qat n ILE 716 Cb 0.50 -1.77 -0.01 0.00 -0.71 0.00 0.00 39.64 37.64 1qat n ILE 716 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 1qat s GLY 717 N -5.29 -0.38 0.39 7.39 0.00 -1.18 -4.83 107.32 103.42 1qat s GLY 717 Ca -0.26 1.27 -0.14 0.00 0.00 0.00 0.00 44.72 45.60 1qat s GLY 717 CO 0.32 0.34 0.75 -0.86 0.00 0.00 0.00 173.10 173.66 1qat s GLN 718 N -2.13 2.22 -0.29 2.90 1.03 -1.00 -0.93 119.66 121.46 1qat s GLN 718 Ca 0.13 -1.50 -0.14 0.00 0.04 0.00 0.00 55.36 53.89 1qat s GLN 718 Cb 0.04 0.61 0.12 0.00 0.03 0.00 0.00 33.01 33.80 1qat s GLN 718 CO -0.05 -1.03 0.79 0.45 -2.54 0.00 0.00 175.29 172.91 1qat s SER 719 N -3.10 -0.85 -0.15 12.60 0.15 0.12 -0.01 113.70 122.46 1qat s SER 719 Ca 0.18 1.27 -0.03 0.00 0.70 0.00 0.00 55.95 58.06 1qat s SER 719 Cb -0.05 1.61 -0.03 0.00 -1.71 0.00 0.00 66.02 65.85 1qat s SER 719 CO 0.13 -0.19 -0.04 -0.89 1.20 0.00 0.00 173.24 173.45 1qat s THR 720 N 1.99 3.92 -0.12 6.45 2.01 -1.26 -1.15 115.64 127.48 1qat s THR 720 Ca -0.08 -0.35 0.01 0.00 0.31 0.00 0.00 61.69 61.58 1qat s THR 720 Cb -0.07 -2.71 0.02 0.00 0.01 0.00 0.00 72.50 69.76 1qat s THR 720 CO -0.18 0.51 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.49 1qat s ILE 721 N 0.22 1.40 0.25 1.82 1.01 0.39 -4.60 121.20 121.70 1qat s ILE 721 Ca -0.02 -0.56 -0.31 0.00 0.00 0.00 0.00 60.65 59.76 1qat s ILE 721 Cb -0.14 -1.31 -0.11 0.00 0.01 0.00 0.00 42.46 40.91 1qat s ILE 721 CO 0.03 0.43 1.62 -2.84 0.00 0.00 0.00 174.94 174.18 1qat s PRO 722 N 1.22 4.14 0.06 2.79 0.02 -1.26 0.33 135.00 142.29 1qat s PRO 722 Ca -0.02 2.55 -0.11 0.00 0.02 0.00 0.00 61.00 63.44 1qat s PRO 722 Cb -0.14 -3.06 -0.02 0.00 0.02 0.00 0.00 34.50 31.30 1qat s PRO 722 CO -0.05 -0.65 0.96 1.87 -0.33 0.00 0.00 177.00 178.80 1qat n TRP 723 N 2.91 -0.16 0.35 6.54 -0.00 -0.19 0.29 117.44 127.19 1qat n TRP 723 Ca 0.11 0.44 0.02 0.00 -0.00 0.00 0.00 57.50 58.08 1qat n TRP 723 Cb 0.37 -0.47 0.14 0.00 -0.00 0.00 0.00 31.31 31.35 1qat n TRP 723 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 177.69 177.78 1qat n ASN 724 N -3.78 0.00 -0.42 5.87 3.02 -1.26 -0.84 115.26 117.85 1qat n ASN 724 Ca 0.01 -0.21 0.06 0.00 -0.03 0.00 0.00 54.58 54.41 1qat n ASN 724 Cb 0.09 0.00 0.03 0.00 -0.61 0.00 0.00 39.78 39.29 1qat n ASN 724 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1qat n SER 725 N -0.91 1.79 -4.72 6.41 7.64 0.14 -4.99 113.62 118.98 1qat n SER 725 Ca 0.04 -1.39 -0.41 0.00 1.01 0.00 0.00 58.87 58.11 1qat n SER 725 Cb 0.02 0.20 -0.04 0.00 -1.01 0.00 0.00 64.21 63.38 1qat n SER 725 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1qat s LEU 726 N -1.39 4.44 -0.05 -3.43 2.96 -0.02 0.50 118.68 121.69 1qat s LEU 726 Ca 0.13 1.92 -0.03 0.00 -0.22 0.00 0.00 54.13 55.93 1qat s LEU 726 Cb 0.11 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 43.17 1qat s LEU 726 CO 0.23 -0.26 0.12 -0.54 -1.32 0.00 0.00 176.35 174.58 1qat s LYS 727 N 0.36 3.28 0.72 1.98 1.02 -0.26 -4.84 119.74 122.00 1qat s LYS 727 Ca 0.52 -0.32 -0.03 0.00 0.02 0.00 0.00 55.97 56.15 1qat s LYS 727 Cb -0.26 -3.02 0.11 0.00 -0.52 0.00 0.00 37.83 34.14 1qat s LYS 727 CO 0.31 0.70 1.00 -0.65 -0.92 0.00 0.00 175.35 175.80 1qat s GLN 728 N -1.48 1.76 3.36 1.68 -0.21 -1.26 -4.63 119.66 118.88 1qat s GLN 728 Ca 0.21 -0.83 0.00 0.00 0.02 0.00 0.00 55.36 54.75 1qat s GLN 728 Cb -0.12 -2.27 0.00 0.00 1.00 0.00 0.00 33.01 31.62 1qat s GLN 728 CO 0.11 -1.42 0.00 0.41 -2.12 0.00 0.00 175.29 172.27 1qat n GLY 729 N -2.89 0.12 3.61 3.09 0.00 0.52 -4.62 105.19 105.03 1qat n GLY 729 Ca 0.13 -1.06 -0.39 0.00 0.00 0.00 0.00 46.02 44.70 1qat n GLY 729 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1qat s TYR 730 N 0.00 3.25 0.13 1.61 2.02 -1.26 -0.00 117.35 123.10 1qat s TYR 730 Ca 0.00 0.43 -0.00 0.00 -0.37 0.00 0.00 57.07 57.13 1qat s TYR 730 Cb 0.00 -2.57 -0.04 0.00 -0.40 0.00 0.00 41.96 38.94 1qat s TYR 730 CO 0.00 -0.22 0.02 1.03 -1.57 0.00 0.00 175.55 174.82 1qat s ARG 731 N 2.04 0.94 -0.09 -0.62 1.81 -0.25 -4.93 118.95 117.85 1qat s ARG 731 Ca 0.15 -1.44 0.04 0.00 -1.72 0.00 0.00 55.73 52.76 1qat s ARG 731 Cb -0.16 0.07 -0.01 0.00 -0.45 0.00 0.00 34.95 34.40 1qat s ARG 731 CO 0.10 -0.19 -0.21 -1.01 -0.68 0.00 0.00 175.30 173.31 1qat s HIS 732 N -3.90 2.59 -0.36 -0.53 3.76 -0.75 -0.92 115.29 115.19 1qat s HIS 732 Ca 0.21 -0.76 -0.12 0.00 -0.15 0.00 0.00 55.06 54.24 1qat s HIS 732 Cb 0.07 -1.70 0.01 0.00 1.11 0.00 0.00 32.58 32.07 1qat s HIS 732 CO 0.01 -0.25 0.22 0.08 -0.85 0.00 0.00 174.74 173.95 1qat s VAL 733 N 0.08 4.84 -0.29 -0.90 1.01 0.54 -2.47 120.40 123.21 1qat s VAL 733 Ca -0.09 -0.63 -0.29 0.00 0.00 0.00 0.00 61.98 60.97 1qat s VAL 733 Cb -0.15 -3.62 0.01 0.00 0.00 0.00 0.00 36.38 32.62 1qat s VAL 733 CO 0.06 -0.16 1.06 -1.00 0.00 0.00 0.00 175.10 175.06 1qat s HIS 734 N 1.62 3.21 -0.09 5.22 3.76 -1.26 -1.13 115.29 126.62 1qat s HIS 734 Ca 0.04 1.28 -0.30 0.00 -0.15 0.00 0.00 55.06 55.93 1qat s HIS 734 Cb -0.18 -3.55 -0.02 0.00 1.11 0.00 0.00 32.58 29.94 1qat s HIS 734 CO 0.08 -0.67 1.16 -0.51 -0.85 0.00 0.00 174.74 173.95 1qat s LEU 735 N 3.49 4.25 0.43 0.89 1.43 -0.49 -4.70 118.68 123.99 1qat s LEU 735 Ca 0.45 1.72 -0.06 0.00 -1.03 0.00 0.00 54.13 55.21 1qat s LEU 735 Cb -0.13 -3.55 -0.05 0.00 0.03 0.00 0.00 46.19 42.49 1qat s LEU 735 CO 0.12 -0.59 0.75 -0.76 0.23 0.00 0.00 176.35 176.10 1qat s LEU 736 N 2.39 3.75 0.00 1.79 1.43 0.98 -0.66 118.68 128.37 1qat s LEU 736 Ca 0.54 0.94 -0.00 0.00 -1.03 0.00 0.00 54.13 54.57 1qat s LEU 736 Cb -0.23 -3.86 0.01 0.00 0.03 0.00 0.00 46.19 42.14 1qat s LEU 736 CO 0.19 -0.47 0.04 -1.54 0.23 0.00 0.00 176.35 174.80 1qat n SER 737 N -1.83 0.01 0.28 2.29 3.41 0.56 -2.38 113.62 115.97 1qat n SER 737 Ca 0.01 -1.02 0.17 0.00 -0.26 0.00 0.00 58.87 57.77 1qat n SER 737 Cb 0.55 -0.03 0.68 0.00 -0.26 0.00 0.00 64.21 65.15 1qat n SER 737 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1qat h LYS 738 N 0.00 0.00 -0.36 4.33 3.64 -1.88 -2.58 116.57 119.73 1qat h LYS 738 Ca -0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1qat h LYS 738 Cb 0.03 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 1qat h LYS 738 CO 0.01 0.01 0.00 0.27 -2.27 0.00 0.00 179.45 177.47 1qat n ASN 739 N -3.11 3.36 0.00 4.20 6.94 -1.26 -4.65 115.26 120.73 1qat n ASN 739 Ca 0.00 -1.97 0.00 0.00 -0.02 0.00 0.00 54.58 52.60 1qat n ASN 739 Cb 0.31 -0.23 0.00 0.00 -2.36 0.00 0.00 39.78 37.50 1qat n ASN 739 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1qat n GLY 740 N 1.40 0.77 3.58 4.83 0.00 -0.97 -5.01 105.19 109.79 1qat n GLY 740 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 1qat n GLY 740 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1qat s ASP 741 N -2.67 6.58 -0.19 1.61 1.11 -1.26 -4.57 116.67 117.27 1qat s ASP 741 Ca 0.00 0.32 -0.38 0.00 0.18 0.00 0.00 52.55 52.67 1qat s ASP 741 Cb 0.00 -2.47 -0.14 0.00 1.07 0.00 0.00 42.92 41.38 1qat s ASP 741 CO 0.00 -1.01 1.79 1.67 1.18 0.00 0.00 175.17 178.80 1qat n GLN 742 N 7.10 1.57 -1.63 8.23 7.27 -1.26 -0.32 117.38 138.34 1qat n GLN 742 Ca 0.07 0.57 -0.38 0.00 0.07 0.00 0.00 57.00 57.34 1qat n GLN 742 Cb 0.48 -2.32 0.05 0.00 2.41 0.00 0.00 30.24 30.86 1qat n GLN 742 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 1qat n HIS 743 N 5.78 0.99 -0.24 3.69 8.25 0.17 -4.83 115.22 129.02 1qat n HIS 743 Ca 0.25 0.44 0.01 0.00 -0.26 0.00 0.00 57.72 58.16 1qat n HIS 743 Cb 0.20 -2.16 0.08 0.00 1.12 0.00 0.00 29.99 29.22 1qat n HIS 743 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1qat h PRO 744 N 0.61 0.00 -0.06 -0.41 0.13 -1.90 -3.34 132.00 127.03 1qat h PRO 744 Ca -0.48 -0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.48 1qat h PRO 744 Cb 1.36 -0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.26 1qat h PRO 744 CO 0.52 0.00 -0.57 -1.13 -0.23 0.00 0.00 178.00 176.59 1qat n SER 745 N -5.47 -0.31 -4.62 1.44 3.41 -1.26 -5.10 113.62 101.71 1qat n SER 745 Ca 0.09 -2.05 -0.39 0.00 -0.26 0.00 0.00 58.87 56.26 1qat n SER 745 Cb 0.37 0.15 -0.08 0.00 -0.26 0.00 0.00 64.21 64.39 1qat n SER 745 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qat s ALA 746 N -0.48 3.58 0.22 7.33 0.00 -1.25 -4.56 121.76 126.59 1qat s ALA 746 Ca 0.14 -0.63 -0.04 0.00 0.00 0.00 0.00 51.96 51.43 1qat s ALA 746 Cb 0.24 -2.81 -0.03 0.00 0.00 0.00 0.00 23.12 20.52 1qat s ALA 746 CO -0.07 -0.64 0.24 0.95 0.00 0.00 0.00 175.76 176.23 1qat s THR 747 N 2.07 0.00 -0.14 0.00 -4.23 -0.90 -1.39 115.64 111.06 1qat s THR 747 Ca 0.20 -1.84 -0.01 0.00 -1.18 0.00 0.00 61.69 58.86 1qat s THR 747 Cb -0.16 -2.43 0.03 0.00 1.34 0.00 0.00 72.50 71.29 1qat s THR 747 CO 0.09 0.00 -0.06 -0.76 -0.54 0.00 0.00 174.62 173.35 1qat s LEU 748 N -3.14 1.36 0.01 4.79 1.43 -0.28 -0.39 118.68 122.46 1qat s LEU 748 Ca 0.35 -0.47 -0.26 0.00 -1.03 0.00 0.00 54.13 52.71 1qat s LEU 748 Cb 0.05 -0.86 -0.04 0.00 0.03 0.00 0.00 46.19 45.36 1qat s LEU 748 CO 0.12 -0.15 0.81 0.12 0.23 0.00 0.00 176.35 177.48 1qat s PHE 749 N 1.68 3.68 0.15 0.29 5.36 0.66 -0.34 117.98 129.47 1qat s PHE 749 Ca 0.03 1.49 -0.07 0.00 -0.96 0.00 0.00 56.93 57.42 1qat s PHE 749 Cb -0.14 -2.91 -0.02 0.00 -0.34 0.00 0.00 43.02 39.62 1qat s PHE 749 CO -0.08 0.15 0.22 0.14 -1.46 0.00 0.00 175.22 174.19 1qat s VAL 750 N 0.45 0.08 -0.22 3.12 -7.23 -0.10 -1.91 120.40 114.59 1qat s VAL 750 Ca 0.42 -1.52 0.01 0.00 -1.81 0.00 0.00 61.98 59.08 1qat s VAL 750 Cb -0.20 -1.89 0.05 0.00 0.56 0.00 0.00 36.38 34.90 1qat s VAL 750 CO 0.23 -0.35 -0.09 -0.75 -0.31 0.00 0.00 175.10 173.84 1qat s LYS 751 N -3.99 1.90 0.03 4.82 2.20 -1.07 -1.09 119.74 122.55 1qat s LYS 751 Ca 0.19 -0.93 -0.09 0.00 -0.36 0.00 0.00 55.97 54.78 1qat s LYS 751 Cb 0.04 -2.51 -0.05 0.00 -1.51 0.00 0.00 37.83 33.80 1qat s LYS 751 CO 0.00 -0.50 0.33 0.42 -0.36 0.00 0.00 175.35 175.25 1qat s ILE 752 N 1.37 5.20 -0.09 5.43 1.01 0.99 -1.59 121.20 133.53 1qat s ILE 752 Ca -0.03 0.34 -0.07 0.00 0.00 0.00 0.00 60.65 60.89 1qat s ILE 752 Cb -0.17 -3.61 0.03 0.00 0.01 0.00 0.00 42.46 38.72 1qat s ILE 752 CO -0.07 0.36 0.23 -0.55 0.00 0.00 0.00 174.94 174.90 1qat s SER 753 N -1.66 -0.24 -0.15 3.58 0.15 -0.46 -0.35 113.70 114.57 1qat s SER 753 Ca 0.29 0.47 -0.01 0.00 0.70 0.00 0.00 55.95 57.40 1qat s SER 753 Cb -0.14 0.43 0.04 0.00 -1.71 0.00 0.00 66.02 64.64 1qat s SER 753 CO 0.16 -0.11 -0.02 -0.63 1.20 0.00 0.00 173.24 173.84 1qat s ILE 754 N 0.61 0.82 0.26 6.45 1.01 -1.26 -0.68 121.20 128.41 1qat s ILE 754 Ca -0.04 -0.47 0.10 0.00 0.00 0.00 0.00 60.65 60.24 1qat s ILE 754 Cb -0.05 -1.08 -0.04 0.00 0.01 0.00 0.00 42.46 41.29 1qat s ILE 754 CO -0.03 0.07 -0.07 -1.10 0.00 0.00 0.00 174.94 173.81 1qat s GLN 755 N 1.75 2.10 0.00 2.79 -1.52 -0.89 -4.93 119.66 118.96 1qat s GLN 755 Ca 0.01 -1.50 0.26 0.00 -1.95 0.00 0.00 55.36 52.18 1qat s GLN 755 Cb -0.15 -2.05 0.67 0.00 -0.22 0.00 0.00 33.01 31.25 1qat s GLN 755 CO -0.07 0.36 1.53 -0.25 -0.25 0.00 0.00 175.29 176.61