#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qat n MET 207 N 0.00 0.00 -0.20 1.97 1.56 -1.26 -4.86 117.12 114.33 1qat n MET 207 Ca 0.00 0.00 -0.01 0.00 -0.27 0.00 0.00 57.70 57.42 1qat n MET 207 Cb 0.00 0.00 0.10 0.00 2.15 0.00 0.00 33.22 35.47 1qat n MET 207 CO 0.00 0.00 0.00 1.25 -0.73 0.00 0.00 175.97 176.49 1qat h LEU 208 N 0.00 0.29 0.00 -0.89 5.85 -2.07 -3.40 115.31 115.09 1qat h LEU 208 Ca 0.00 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1qat h LEU 208 Cb 0.00 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.06 1qat h LEU 208 CO 0.00 0.18 0.00 0.35 -0.34 0.00 0.00 178.44 178.63 1qat n THR 209 N -4.95 0.00 -3.73 1.05 -2.24 -1.26 -4.77 114.28 98.38 1qat n THR 209 Ca 0.08 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.54 1qat n THR 209 Cb 0.24 0.00 0.04 0.00 -2.10 0.00 0.00 70.33 68.51 1qat n THR 209 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qat n GLN 210 N 0.00 -1.43 -2.86 -0.78 1.13 -1.26 -4.81 117.38 107.37 1qat n GLN 210 Ca 0.00 0.43 -0.43 0.00 -1.94 0.00 0.00 57.00 55.06 1qat n GLN 210 Cb 0.00 -4.09 -0.04 0.00 0.11 0.00 0.00 30.24 26.22 1qat n GLN 210 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1qat s ARG 211 N -6.11 3.14 0.26 -1.09 1.81 -1.26 -4.87 118.95 110.83 1qat s ARG 211 Ca 0.42 -0.76 -0.09 0.00 -1.72 0.00 0.00 55.73 53.59 1qat s ARG 211 Cb -0.16 -4.20 0.41 0.00 -0.45 0.00 0.00 34.95 30.55 1qat s ARG 211 CO 0.87 -1.77 1.58 0.00 -0.68 0.00 0.00 175.30 175.30 1qat h ALA 212 N 9.53 0.62 0.00 2.13 0.00 -1.99 0.24 119.26 129.79 1qat h ALA 212 Ca -0.28 0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1qat h ALA 212 Cb 1.07 0.65 -0.00 0.00 0.00 0.00 0.00 17.79 19.51 1qat h ALA 212 CO 1.17 -0.40 -0.15 1.05 0.00 0.00 0.00 179.25 180.91 1qat h GLU 213 N 0.00 0.00 0.00 0.00 -0.00 -1.98 0.04 114.58 112.65 1qat h GLU 213 Ca 0.43 0.00 -0.07 0.00 -0.00 0.00 0.00 59.36 59.72 1qat h GLU 213 Cb 0.67 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.41 1qat h GLU 213 CO -0.90 0.15 -0.33 0.82 -0.00 0.00 0.00 179.01 178.76 1qat h ILE 214 N 0.00 0.63 0.11 -1.06 1.08 -0.98 -1.95 117.51 115.34 1qat h ILE 214 Ca -0.00 -1.65 -0.17 0.00 -0.39 0.00 0.00 64.86 62.65 1qat h ILE 214 Cb 0.62 2.12 0.01 0.00 -3.07 0.00 0.00 36.82 36.51 1qat h ILE 214 CO 0.02 0.32 -0.77 0.44 -0.69 0.00 0.00 178.15 177.47 1qat h ASP 215 N 0.00 0.37 -0.58 1.72 3.32 -0.48 -2.57 116.42 118.21 1qat h ASP 215 Ca -0.00 -0.94 0.06 0.00 0.02 0.00 0.00 57.03 56.17 1qat h ASP 215 Cb 1.10 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 40.49 1qat h ASP 215 CO 0.04 1.36 0.38 -0.09 -1.72 0.00 0.00 179.24 179.22 1qat h ARG 216 N -0.48 0.52 0.00 3.56 1.12 -0.96 -1.33 114.38 116.82 1qat h ARG 216 Ca -0.14 -0.03 -0.23 0.00 -1.11 0.00 0.00 59.98 58.46 1qat h ARG 216 Cb 1.55 -0.12 -0.04 0.00 -0.01 0.00 0.00 29.97 31.35 1qat h ARG 216 CO 0.11 0.35 -1.44 0.00 -3.11 0.00 0.00 179.97 175.88 1qat h ALA 217 N 1.69 0.67 -0.06 2.80 0.00 -1.45 -3.30 119.26 119.60 1qat h ALA 217 Ca 0.25 -1.15 -0.18 0.00 0.00 0.00 0.00 54.91 53.82 1qat h ALA 217 Cb 0.30 0.29 0.01 0.00 0.00 0.00 0.00 17.79 18.39 1qat h ALA 217 CO -0.07 1.30 -0.67 0.35 0.00 0.00 0.00 179.25 180.16 1qat h PHE 218 N 0.00 0.79 -0.94 0.00 3.57 -0.97 -2.79 116.94 116.61 1qat h PHE 218 Ca -0.19 -0.39 -0.00 0.00 3.53 0.00 0.00 57.97 60.92 1qat h PHE 218 Cb 1.83 -0.11 -0.05 0.00 2.79 0.00 0.00 35.95 40.41 1qat h PHE 218 CO 0.00 1.20 0.57 0.93 -2.23 0.00 0.00 178.31 178.78 1qat h GLU 219 N 0.17 1.27 -0.49 1.11 3.07 -1.44 -0.71 114.58 117.57 1qat h GLU 219 Ca -0.07 -0.11 0.09 0.00 -0.50 0.00 0.00 59.36 58.78 1qat h GLU 219 Cb 1.33 -0.27 -0.08 0.00 -0.84 0.00 0.00 28.75 28.89 1qat h GLU 219 CO 0.13 0.89 -0.02 1.49 -1.40 0.00 0.00 179.01 180.10 1qat h GLU 220 N 1.29 0.09 0.00 2.33 4.81 -1.62 0.78 114.58 122.26 1qat h GLU 220 Ca 0.34 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.56 1qat h GLU 220 Cb -0.06 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.30 1qat h GLU 220 CO -0.06 0.06 0.00 0.00 -0.73 0.00 0.00 179.01 178.28 1qat n ALA 221 N -2.68 -0.18 -0.23 2.92 0.00 -0.70 -3.77 120.51 115.87 1qat n ALA 221 Ca 0.05 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.48 1qat n ALA 221 Cb 0.26 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.77 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 -2.00 0.34 0.00 0.00 0.00 -1.10 -3.47 119.26 113.03 1qat h ALA 222 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1qat h ALA 222 Cb 0.00 0.60 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1qat h ALA 222 CO 0.00 -0.48 0.00 0.41 0.00 0.00 0.00 179.25 179.18 1qat n GLY 223 N -1.46 1.92 0.00 0.00 0.00 0.27 -4.17 105.19 101.75 1qat n GLY 223 Ca 0.08 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.45 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 2.73 0.46 -4.97 1.61 2.88 -1.26 -4.80 113.62 110.26 1qat n SER 224 Ca 0.00 -1.12 -0.22 0.00 -1.33 0.00 0.00 58.87 56.21 1qat n SER 224 Cb 0.00 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.47 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 -0.12 3.92 -1.95 -1.46 0.00 -1.26 -5.01 121.76 115.88 1qat s ALA 225 Ca 0.00 -1.20 0.23 0.00 0.00 0.00 0.00 51.96 50.99 1qat s ALA 225 Cb 0.00 -1.99 0.17 0.00 0.00 0.00 0.00 23.12 21.30 1qat s ALA 225 CO 0.00 -0.29 1.20 -1.91 0.00 0.00 0.00 175.76 174.75 1qat n GLU 226 N -1.96 1.10 -4.20 0.00 2.13 -1.26 -4.83 120.64 111.62 1qat n GLU 226 Ca 0.01 -0.86 -0.12 0.00 0.66 0.00 0.00 57.16 56.85 1qat n GLU 226 Cb 0.58 -1.48 -0.10 0.00 0.27 0.00 0.00 31.44 30.71 1qat n GLU 226 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1qat s THR 227 N -2.49 0.44 -0.31 6.31 2.01 -1.26 -4.38 115.64 115.95 1qat s THR 227 Ca 0.20 -1.95 -0.11 0.00 0.31 0.00 0.00 61.69 60.14 1qat s THR 227 Cb 0.18 -2.09 -0.02 0.00 0.01 0.00 0.00 72.50 70.58 1qat s THR 227 CO 0.57 -0.47 0.18 -0.76 -0.69 0.00 0.00 174.62 173.45 1qat s LEU 228 N -3.12 4.21 0.41 4.42 1.43 0.27 -4.77 118.68 121.52 1qat s LEU 228 Ca 0.24 -0.40 -0.24 0.00 -1.03 0.00 0.00 54.13 52.70 1qat s LEU 228 Cb 0.07 -2.06 -0.09 0.00 0.03 0.00 0.00 46.19 44.14 1qat s LEU 228 CO 0.03 -0.18 1.08 -0.94 0.23 0.00 0.00 176.35 176.57 1qat s SER 229 N 1.67 6.63 0.38 2.29 1.04 -1.26 -0.63 113.70 123.82 1qat s SER 229 Ca 0.06 2.11 0.15 0.00 0.48 0.00 0.00 55.95 58.75 1qat s SER 229 Cb -0.17 -2.59 1.02 0.00 0.10 0.00 0.00 66.02 64.38 1qat s SER 229 CO 0.08 -0.58 1.78 0.58 0.98 0.00 0.00 173.24 176.07 1qat h VAL 230 N 2.14 0.57 0.18 5.02 2.07 -1.95 0.38 116.25 124.67 1qat h VAL 230 Ca -0.48 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 66.86 1qat h VAL 230 Cb 1.22 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1qat h VAL 230 CO 0.62 0.09 -0.09 -0.33 0.02 0.00 0.00 177.57 177.88 1qat h GLU 231 N 0.47 -0.24 -0.30 1.57 3.07 -1.92 -1.86 114.58 115.38 1qat h GLU 231 Ca 0.59 0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 59.45 1qat h GLU 231 Cb 1.35 0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 29.29 1qat h GLU 231 CO -0.32 -0.01 0.14 0.00 -1.40 0.00 0.00 179.01 177.42 1qat h ARG 232 N -0.44 0.40 0.01 2.33 2.47 -1.19 -2.81 114.38 115.16 1qat h ARG 232 Ca -0.03 -0.04 -0.00 0.00 -1.26 0.00 0.00 59.98 58.66 1qat h ARG 232 Cb 0.34 -0.08 0.00 0.00 -1.65 0.00 0.00 29.97 28.58 1qat h ARG 232 CO 0.04 0.32 -0.00 1.25 0.56 0.00 0.00 179.97 182.14 1qat h LEU 233 N 0.41 -0.01 -2.18 3.04 5.85 -0.19 -2.09 115.31 120.14 1qat h LEU 233 Ca 0.11 -0.34 0.04 0.00 0.84 0.00 0.00 57.88 58.52 1qat h LEU 233 Cb 0.05 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 1qat h LEU 233 CO -0.01 0.34 0.28 0.58 -0.34 0.00 0.00 178.44 179.29 1qat h VAL 234 N -0.35 0.20 0.16 1.05 2.07 -1.09 0.32 116.25 118.61 1qat h VAL 234 Ca -0.00 0.00 -0.25 0.00 0.82 0.00 0.00 66.70 67.27 1qat h VAL 234 Cb 0.35 0.75 0.03 0.00 -1.52 0.00 0.00 31.29 30.89 1qat h VAL 234 CO 0.00 0.00 -1.07 0.74 0.02 0.00 0.00 177.57 177.26 1qat h THR 235 N 0.00 1.40 -0.22 2.57 2.02 -1.28 -2.49 112.91 114.91 1qat h THR 235 Ca 0.06 -2.54 -0.02 0.00 0.77 0.00 0.00 66.41 64.68 1qat h THR 235 Cb 0.63 3.04 -0.01 0.00 -1.74 0.00 0.00 68.15 70.06 1qat h THR 235 CO -0.00 0.74 0.05 0.15 0.37 0.00 0.00 175.52 176.83 1qat h PHE 236 N -0.09 0.37 -0.43 3.16 3.57 0.16 -1.50 116.94 122.18 1qat h PHE 236 Ca -0.18 -0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.24 1qat h PHE 236 Cb 1.83 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 40.44 1qat h PHE 236 CO 0.16 0.47 0.16 -0.07 -2.23 0.00 0.00 178.31 176.80 1qat h LEU 237 N 0.17 0.60 0.00 0.59 3.38 -0.87 0.42 115.31 119.58 1qat h LEU 237 Ca 0.07 -0.18 -0.12 0.00 0.09 0.00 0.00 57.88 57.74 1qat h LEU 237 Cb 0.29 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1qat h LEU 237 CO 0.00 0.61 -0.79 0.06 0.09 0.00 0.00 178.44 178.41 1qat h GLN 238 N 0.54 0.00 0.00 1.13 3.07 -1.49 0.16 115.11 118.52 1qat h GLN 238 Ca 0.14 0.00 -0.29 0.00 0.09 0.00 0.00 58.65 58.59 1qat h GLN 238 Cb 0.21 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 27.73 1qat h GLN 238 CO -0.01 0.42 -1.69 1.58 0.09 0.00 0.00 178.83 179.22 1qat n HIS 239 N -3.11 0.54 -0.02 0.06 -0.00 -0.57 -3.60 115.22 108.53 1qat n HIS 239 Ca -0.02 0.24 -0.00 0.00 0.46 0.00 0.00 57.72 58.40 1qat n HIS 239 Cb 0.76 -0.99 -0.00 0.00 -0.12 0.00 0.00 29.99 29.63 1qat n HIS 239 CO 0.00 0.00 0.00 1.96 0.46 0.00 0.00 176.34 178.76 1qat h GLN 240 N -1.00 -0.01 0.00 1.57 1.08 -0.35 -3.33 115.11 113.07 1qat h GLN 240 Ca -0.44 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.76 1qat h GLN 240 Cb 1.34 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.77 1qat h GLN 240 CO -0.27 -0.01 0.00 1.04 -0.95 0.00 0.00 178.83 178.65 1qat n GLN 241 N -3.47 0.31 -3.84 1.46 1.13 -0.48 -3.57 117.38 108.92 1qat n GLN 241 Ca -0.00 0.00 -0.30 0.00 -1.94 0.00 0.00 57.00 54.76 1qat n GLN 241 Cb 0.00 -1.16 -0.07 0.00 0.11 0.00 0.00 30.24 29.12 1qat n GLN 241 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1qat n ARG 242 N -0.66 -0.83 -2.70 -1.09 5.12 -0.93 -4.62 116.66 110.94 1qat n ARG 242 Ca 0.02 0.10 -0.42 0.00 -1.93 0.00 0.00 57.85 55.62 1qat n ARG 242 Cb 0.01 -3.34 -0.03 0.00 -1.16 0.00 0.00 32.46 27.94 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 -5.93 4.42 0.48 5.56 0.41 0.51 -4.93 118.70 119.22 1qat s GLU 243 Ca 0.45 1.37 0.28 0.00 -0.41 0.00 0.00 54.97 56.66 1qat s GLU 243 Cb -0.27 -3.54 0.81 0.00 -1.78 0.00 0.00 34.13 29.36 1qat s GLU 243 CO 0.78 -0.30 1.78 1.49 -0.49 0.00 0.00 175.26 178.52 1qat h GLU 244 N 7.09 0.00 0.00 1.61 4.81 -1.88 -3.01 114.58 123.19 1qat h GLU 244 Ca -0.31 0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 58.66 1qat h GLU 244 Cb 1.15 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.49 1qat h GLU 244 CO 0.85 0.00 -1.48 0.93 -0.73 0.00 0.00 179.01 178.57 1qat h GLU 245 N 0.00 0.00 -2.55 1.92 5.08 -1.96 -3.47 114.58 113.60 1qat h GLU 245 Ca 0.00 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.11 1qat h GLU 245 Cb 0.77 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.97 1qat h GLU 245 CO 0.00 0.59 0.90 0.00 -1.00 0.00 0.00 179.01 179.50 1qat n ALA 246 N -2.48 0.16 -3.84 3.43 0.00 -1.14 -4.71 120.51 111.93 1qat n ALA 246 Ca -0.12 -0.15 -0.07 0.00 0.00 0.00 0.00 53.44 53.10 1qat n ALA 246 Cb 1.00 -1.16 -0.00 0.00 0.00 0.00 0.00 19.45 19.29 1qat n ALA 246 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1qat s GLY 247 N 4.49 0.07 0.21 0.00 0.00 -1.26 -4.80 107.32 106.04 1qat s GLY 247 Ca 0.69 -0.46 -0.17 0.00 0.00 0.00 0.00 44.72 44.78 1qat s GLY 247 CO 0.25 -0.13 1.58 -2.55 0.00 0.00 0.00 173.10 172.25 1qat h PRO 248 N 2.00 -0.07 -0.66 2.90 0.11 -1.88 -2.27 132.00 132.13 1qat h PRO 248 Ca -0.24 0.00 0.11 0.00 0.11 0.00 0.00 66.00 65.98 1qat h PRO 248 Cb 1.25 0.02 -0.08 0.00 0.11 0.00 0.00 31.00 32.30 1qat h PRO 248 CO 0.30 -0.05 0.26 0.00 -0.21 0.00 0.00 178.00 178.30 1qat h ALA 249 N 1.32 0.88 0.45 -0.75 0.00 -1.97 0.17 119.26 119.36 1qat h ALA 249 Ca 0.31 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.28 1qat h ALA 249 Cb 0.57 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1qat h ALA 249 CO -0.80 -0.18 -0.22 1.25 0.00 0.00 0.00 179.25 179.30 1qat h LEU 250 N 0.44 -0.51 -1.96 0.00 5.85 -1.76 -2.06 115.31 115.32 1qat h LEU 250 Ca 0.34 -0.10 0.28 0.00 0.84 0.00 0.00 57.88 59.24 1qat h LEU 250 Cb 0.44 0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.56 1qat h LEU 250 CO -0.33 -0.15 0.73 0.00 -0.34 0.00 0.00 178.44 178.36 1qat h ALA 251 N -0.58 2.88 0.07 1.25 0.00 -1.01 0.33 119.26 122.19 1qat h ALA 251 Ca -0.06 -0.03 -0.27 0.00 0.00 0.00 0.00 54.91 54.55 1qat h ALA 251 Cb 0.58 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1qat h ALA 251 CO 0.10 -1.23 -1.33 -0.07 0.00 0.00 0.00 179.25 176.72 1qat h LEU 252 N 0.00 0.22 -0.67 0.00 3.38 -0.52 -2.98 115.31 114.73 1qat h LEU 252 Ca 0.46 -0.28 -0.05 0.00 0.09 0.00 0.00 57.88 58.11 1qat h LEU 252 Cb 1.92 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 42.57 1qat h LEU 252 CO -0.00 1.23 0.24 0.28 0.09 0.00 0.00 178.44 180.27 1qat h SER 253 N 0.04 0.95 -0.74 -0.43 0.02 0.33 0.76 113.55 114.48 1qat h SER 253 Ca -0.15 -0.19 -0.06 0.00 -0.84 0.00 0.00 61.79 60.54 1qat h SER 253 Cb 1.93 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 64.19 1qat h SER 253 CO 0.15 0.88 0.21 -0.07 -1.14 0.00 0.00 176.83 176.86 1qat h LEU 254 N 0.97 1.09 -0.22 5.07 3.38 -1.33 0.21 115.31 124.47 1qat h LEU 254 Ca 0.22 -0.22 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 1qat h LEU 254 Cb 0.25 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1qat h LEU 254 CO -0.01 1.03 -0.12 0.40 0.09 0.00 0.00 178.44 179.82 1qat h ILE 255 N 1.10 1.31 0.00 1.22 2.04 -1.27 -0.56 117.51 121.35 1qat h ILE 255 Ca 0.23 -1.20 -0.06 0.00 1.00 0.00 0.00 64.86 64.83 1qat h ILE 255 Cb 0.34 1.61 -0.01 0.00 -0.74 0.00 0.00 36.82 38.02 1qat h ILE 255 CO -0.00 0.37 -0.30 -0.08 0.00 0.00 0.00 178.15 178.13 1qat h GLU 256 N 0.18 0.00 -0.01 2.37 4.57 -0.70 -0.85 114.58 120.15 1qat h GLU 256 Ca 0.05 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.23 1qat h GLU 256 Cb 0.62 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.21 1qat h GLU 256 CO 0.03 0.30 -0.55 -2.13 -1.18 0.00 0.00 179.01 175.49 1qat n ARG 257 N -3.65 0.64 0.00 1.92 0.63 0.71 -4.64 116.66 112.27 1qat n ARG 257 Ca -0.01 -0.48 0.00 0.00 -0.92 0.00 0.00 57.85 56.44 1qat n ARG 257 Cb 0.42 -1.49 0.00 0.00 0.45 0.00 0.00 32.46 31.84 1qat n ARG 257 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1qat n TYR 258 N -0.76 0.00 -1.96 -0.14 4.01 -0.23 -5.02 117.16 113.05 1qat n TYR 258 Ca 0.08 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.40 1qat n TYR 258 Cb 0.38 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.39 1qat n TYR 258 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 1qat s GLU 259 N 0.00 3.99 -0.06 -0.72 2.56 -0.33 -4.52 118.70 119.62 1qat s GLU 259 Ca 0.00 2.08 -0.27 0.00 0.00 0.00 0.00 54.97 56.79 1qat s GLU 259 Cb 0.00 -4.05 -0.22 0.00 2.00 0.00 0.00 34.13 31.85 1qat s GLU 259 CO 0.00 -1.08 1.08 -1.00 -0.56 0.00 0.00 175.26 173.70 1qat h PRO 260 N 10.42 0.03 -6.54 4.30 0.13 -1.91 -3.44 132.00 134.99 1qat h PRO 260 Ca -0.39 -0.03 -0.53 0.00 -0.87 0.00 0.00 66.00 64.19 1qat h PRO 260 Cb 1.18 0.01 0.03 0.00 0.13 0.00 0.00 31.00 32.35 1qat h PRO 260 CO 0.97 0.71 0.93 0.45 -0.23 0.00 0.00 178.00 180.83 1qat s SER 261 N -5.95 6.59 -0.05 1.44 0.15 -1.26 -4.91 113.70 109.71 1qat s SER 261 Ca -0.17 2.57 -0.24 0.00 0.70 0.00 0.00 55.95 58.81 1qat s SER 261 Cb 0.00 -2.58 -0.23 0.00 -1.71 0.00 0.00 66.02 61.50 1qat s SER 261 CO 0.69 -0.85 1.05 -0.08 1.20 0.00 0.00 173.24 175.25 1qat h GLU 262 N 7.43 0.18 -0.26 5.44 4.22 -1.99 -3.05 114.58 126.55 1qat h GLU 262 Ca -0.43 -0.18 0.05 0.00 0.08 0.00 0.00 59.36 58.88 1qat h GLU 262 Cb 1.20 0.05 -0.05 0.00 0.50 0.00 0.00 28.75 30.45 1qat h GLU 262 CO 0.92 0.90 -0.07 1.79 -2.18 0.00 0.00 179.01 180.37 1qat h THR 263 N -0.47 0.73 0.00 0.32 1.35 -1.99 0.15 112.91 113.01 1qat h THR 263 Ca -0.03 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.83 1qat h THR 263 Cb 0.98 0.73 0.00 0.00 -1.73 0.00 0.00 68.15 68.13 1qat h THR 263 CO 0.05 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.32 1qat h ALA 264 N 1.26 1.00 0.11 6.62 0.00 -1.90 0.12 119.26 126.47 1qat h ALA 264 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.69 1qat h ALA 264 Cb 0.20 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1qat h ALA 264 CO -0.27 0.00 -1.84 -0.22 0.00 0.00 0.00 179.25 176.91 1qat h LYS 265 N 0.00 0.23 0.00 0.00 3.64 -0.77 0.41 116.57 120.08 1qat h LYS 265 Ca 0.00 -0.40 -0.13 0.00 -1.27 0.00 0.00 60.65 58.85 1qat h LYS 265 Cb 0.07 0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.02 1qat h LYS 265 CO 0.00 1.08 -0.61 0.00 -2.27 0.00 0.00 179.45 177.66 1qat h ALA 266 N 0.31 0.85 -0.66 5.00 0.00 0.11 -2.90 119.26 121.97 1qat h ALA 266 Ca -0.36 -0.55 -0.18 0.00 0.00 0.00 0.00 54.91 53.82 1qat h ALA 266 Cb 2.04 -0.10 -0.10 0.00 0.00 0.00 0.00 17.79 19.63 1qat h ALA 266 CO 0.11 0.76 0.22 1.04 0.00 0.00 0.00 179.25 181.38 1qat n GLN 267 N -3.60 3.59 -3.93 0.00 6.02 0.24 -4.96 117.38 114.74 1qat n GLN 267 Ca -0.00 -2.76 -0.37 0.00 -0.01 0.00 0.00 57.00 53.85 1qat n GLN 267 Cb 0.65 -2.14 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 -0.02 -0.76 -4.13 -1.09 1.74 -1.09 -4.97 116.66 106.33 1qat n ARG 268 Ca 0.36 0.36 -0.10 0.00 -0.77 0.00 0.00 57.85 57.69 1qat n ARG 268 Cb 1.27 -2.68 -0.09 0.00 -1.02 0.00 0.00 32.46 29.93 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 -6.42 1.05 -0.15 5.56 -0.21 0.14 -3.48 119.66 116.16 1qat s GLN 269 Ca 0.33 -1.44 -0.00 0.00 0.02 0.00 0.00 55.36 54.27 1qat s GLN 269 Cb -0.17 0.28 0.03 0.00 1.00 0.00 0.00 33.01 34.15 1qat s GLN 269 CO 0.93 -0.33 -0.09 1.41 -2.12 0.00 0.00 175.29 175.09 1qat s MET 270 N -4.06 1.79 0.76 2.91 -2.45 0.20 -4.24 119.30 114.20 1qat s MET 270 Ca 0.27 -0.50 -0.09 0.00 -1.25 0.00 0.00 55.69 54.12 1qat s MET 270 Cb 0.06 -1.97 0.07 0.00 1.25 0.00 0.00 34.83 34.24 1qat s MET 270 CO 0.04 -0.33 1.10 0.95 1.05 0.00 0.00 175.02 177.84 1qat s THR 271 N 1.58 2.17 0.43 10.11 -4.23 -1.26 0.94 115.64 125.38 1qat s THR 271 Ca 0.03 -0.11 0.11 0.00 -1.18 0.00 0.00 61.69 60.53 1qat s THR 271 Cb -0.14 -3.01 0.22 0.00 1.34 0.00 0.00 72.50 70.90 1qat s THR 271 CO -0.09 -0.02 2.02 0.50 -0.54 0.00 0.00 174.62 176.49 1qat h LYS 272 N -0.83 0.24 0.52 3.99 3.64 -1.99 0.16 116.57 122.31 1qat h LYS 272 Ca -0.45 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 58.87 1qat h LYS 272 Cb 1.32 -0.05 0.01 0.00 -0.41 0.00 0.00 32.23 33.10 1qat h LYS 272 CO 0.63 0.26 -0.25 -0.44 -2.27 0.00 0.00 179.45 177.39 1qat h ASP 273 N 0.24 -0.59 0.26 4.20 5.19 -1.96 -1.66 116.42 122.10 1qat h ASP 273 Ca 0.06 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 56.41 1qat h ASP 273 Cb 0.16 0.15 -0.01 0.00 0.18 0.00 0.00 39.33 39.81 1qat h ASP 273 CO 0.00 -0.40 -0.29 1.23 -3.12 0.00 0.00 179.24 176.67 1qat h GLY 274 N -0.73 0.06 1.69 2.75 0.00 -1.70 0.18 103.07 105.31 1qat h GLY 274 Ca -0.07 -0.04 -0.05 0.00 0.00 0.00 0.00 47.33 47.17 1qat h GLY 274 CO 0.12 0.04 -0.06 -2.75 0.00 0.00 0.00 176.54 173.88 1qat h PHE 275 N 0.05 0.40 0.02 5.60 3.57 -0.52 -1.40 116.94 124.65 1qat h PHE 275 Ca 0.01 -0.04 -0.05 0.00 3.53 0.00 0.00 57.97 61.42 1qat h PHE 275 Cb 0.54 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.16 1qat h PHE 275 CO 0.00 0.45 -0.22 1.25 -2.23 0.00 0.00 178.31 177.57 1qat h LEU 276 N 0.37 0.07 -1.88 0.59 5.85 -0.48 -2.84 115.31 116.99 1qat h LEU 276 Ca 0.08 -0.96 0.16 0.00 0.84 0.00 0.00 57.88 58.00 1qat h LEU 276 Cb 0.35 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 1qat h LEU 276 CO 0.02 1.10 0.57 0.24 -0.34 0.00 0.00 178.44 180.02 1qat h MET 277 N -0.90 0.00 0.00 1.25 2.86 -0.48 -0.10 114.93 117.56 1qat h MET 277 Ca -0.05 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.54 1qat h MET 277 Cb 1.12 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.77 1qat h MET 277 CO 0.01 0.00 -0.31 -0.92 1.06 0.00 0.00 176.91 176.75 1qat h TYR 278 N 0.00 0.00 -0.12 -0.22 3.20 -1.31 -3.15 116.97 115.37 1qat h TYR 278 Ca 0.26 0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.15 1qat h TYR 278 Cb 1.39 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.66 1qat h TYR 278 CO 0.00 1.10 0.08 -0.07 -1.64 0.00 0.00 178.16 177.63 1qat h LEU 279 N -1.00 0.08 -0.04 2.82 3.38 -0.83 -0.88 115.31 118.83 1qat h LEU 279 Ca -0.08 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1qat h LEU 279 Cb 1.06 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.79 1qat h LEU 279 CO -0.05 0.06 -0.47 0.18 0.09 0.00 0.00 178.44 178.24 1qat n LEU 280 N -4.52 0.54 0.00 1.67 4.77 -0.25 -3.91 117.00 115.30 1qat n LEU 280 Ca -0.01 -0.02 -0.22 0.00 -0.03 0.00 0.00 56.01 55.73 1qat n LEU 280 Cb 0.13 -0.24 0.15 0.00 -2.33 0.00 0.00 43.42 41.13 1qat n LEU 280 CO 0.34 0.13 0.65 -1.54 -1.33 0.00 0.00 177.39 175.64 1qat n SER 281 N -1.43 0.14 -0.21 -1.43 3.41 -0.39 -4.82 113.62 108.90 1qat n SER 281 Ca 0.06 -1.40 -0.03 0.00 -0.26 0.00 0.00 58.87 57.24 1qat n SER 281 Cb 0.34 -0.75 0.07 0.00 -0.26 0.00 0.00 64.21 63.61 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 -1.76 0.80 0.00 7.33 0.00 -1.89 -0.81 119.26 122.93 1qat h ALA 282 Ca -0.32 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.54 1qat h ALA 282 Cb 0.90 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1qat h ALA 282 CO 0.23 0.04 -0.27 -0.44 0.00 0.00 0.00 179.25 178.81 1qat h ASP 283 N 0.66 0.00 1.50 0.00 5.19 -1.94 -3.12 116.42 118.71 1qat h ASP 283 Ca 0.26 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.67 1qat h ASP 283 Cb 0.11 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.62 1qat h ASP 283 CO -0.14 0.27 -0.43 1.23 -3.12 0.00 0.00 179.24 177.04 1qat h GLY 284 N 1.91 0.00 -3.31 2.75 0.00 -0.61 -3.48 103.07 100.33 1qat h GLY 284 Ca -0.00 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.74 1qat h GLY 284 CO 0.03 0.00 -0.24 -2.01 0.00 0.00 0.00 176.54 174.32 1qat n ASN 285 N -2.82 -0.42 0.05 0.19 2.85 -0.69 -3.02 115.26 111.40 1qat n ASN 285 Ca 0.02 0.82 0.13 0.00 -0.11 0.00 0.00 54.58 55.44 1qat n ASN 285 Cb 0.53 -1.22 0.49 0.00 1.24 0.00 0.00 39.78 40.82 1qat n ASN 285 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1qat n ALA 286 N -1.37 2.17 -2.60 5.20 0.00 -0.98 -4.56 120.51 118.36 1qat n ALA 286 Ca 0.12 -0.05 -0.41 0.00 0.00 0.00 0.00 53.44 53.10 1qat n ALA 286 Cb 0.45 -1.44 -0.11 0.00 0.00 0.00 0.00 19.45 18.36 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 -3.07 3.23 -0.75 0.00 2.19 -1.26 -1.59 117.98 116.72 1qat s PHE 287 Ca 0.11 -0.50 -0.36 0.00 0.33 0.00 0.00 56.93 56.51 1qat s PHE 287 Cb 0.14 -2.49 -0.20 0.00 -1.31 0.00 0.00 43.02 39.17 1qat s PHE 287 CO 0.51 -0.49 2.45 0.45 1.83 0.00 0.00 175.22 179.96 1qat n SER 288 N 5.09 0.65 0.17 6.13 2.88 0.41 -4.76 113.62 124.19 1qat n SER 288 Ca -0.12 0.36 0.17 0.00 -1.33 0.00 0.00 58.87 57.95 1qat n SER 288 Cb 0.48 -0.96 0.80 0.00 -0.75 0.00 0.00 64.21 63.78 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 11.18 0.00 -2.04 2.46 5.85 -1.88 0.26 115.31 131.13 1qat h LEU 289 Ca -0.09 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 1qat h LEU 289 Cb 1.35 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.38 1qat h LEU 289 CO 1.24 0.00 -0.03 0.00 -0.34 0.00 0.00 178.44 179.32 1qat h ALA 290 N 1.74 1.05 0.00 1.25 0.00 -1.95 -1.92 119.26 119.42 1qat h ALA 290 Ca 0.11 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1qat h ALA 290 Cb 0.59 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1qat h ALA 290 CO -0.00 0.03 -0.78 0.72 0.00 0.00 0.00 179.25 179.23 1qat n HIS 291 N -3.19 0.10 0.50 0.00 8.25 0.92 -3.90 115.22 117.90 1qat n HIS 291 Ca -0.01 0.03 0.05 0.00 -0.26 0.00 0.00 57.72 57.53 1qat n HIS 291 Cb 0.22 -0.26 0.27 0.00 1.12 0.00 0.00 29.99 31.34 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 -1.66 0.14 -4.34 -0.41 5.12 -0.72 -0.32 116.66 114.47 1qat n ARG 292 Ca 0.04 0.20 -0.23 0.00 -1.93 0.00 0.00 57.85 55.92 1qat n ARG 292 Cb 0.37 -1.50 -0.08 0.00 -1.16 0.00 0.00 32.46 30.09 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 -2.61 2.12 0.17 5.56 1.70 -1.25 -3.77 118.95 120.87 1qat s ARG 293 Ca 0.10 -1.53 -0.30 0.00 -0.47 0.00 0.00 55.73 53.52 1qat s ARG 293 Cb 0.07 -2.04 -0.08 0.00 -0.57 0.00 0.00 34.95 32.33 1qat s ARG 293 CO 0.17 0.34 1.29 0.08 -1.08 0.00 0.00 175.30 176.09 1qat s VAL 294 N -2.39 3.38 0.00 4.99 1.01 -1.25 -1.56 120.40 124.59 1qat s VAL 294 Ca 0.31 1.10 0.00 0.00 0.00 0.00 0.00 61.98 63.39 1qat s VAL 294 Cb -0.06 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.62 1qat s VAL 294 CO 0.19 0.14 0.03 0.00 0.00 0.00 0.00 175.10 175.46 1qat n TYR 295 N 2.99 0.00 -3.21 5.22 4.11 -1.26 -4.90 117.16 120.10 1qat n TYR 295 Ca 0.07 0.00 -0.20 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 39.81 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 3.02 0.15 -3.48 -0.21 -1.26 -5.04 119.66 112.84 1qat s GLN 296 Ca 0.00 -0.86 -0.31 0.00 0.02 0.00 0.00 55.36 54.20 1qat s GLN 296 Cb 0.00 -2.71 -0.10 0.00 1.00 0.00 0.00 33.01 31.20 1qat s GLN 296 CO 0.00 -0.13 1.60 0.34 -2.12 0.00 0.00 175.29 174.98 1qat s ASP 297 N -4.23 6.57 -0.14 5.90 -1.08 -1.26 -4.87 116.67 117.56 1qat s ASP 297 Ca 0.48 2.62 0.18 0.00 -0.52 0.00 0.00 52.55 55.31 1qat s ASP 297 Cb -0.10 -2.59 0.34 0.00 -1.46 0.00 0.00 42.92 39.11 1qat s ASP 297 CO 0.34 -0.85 1.20 0.23 0.52 0.00 0.00 175.17 176.61 1qat n MET 298 N 4.31 1.55 -0.25 4.34 2.81 -1.26 -4.59 117.12 124.02 1qat n MET 298 Ca 0.14 -2.66 0.08 0.00 -1.81 0.00 0.00 57.70 53.45 1qat n MET 298 Cb 0.39 -1.56 0.18 0.00 -0.71 0.00 0.00 33.22 31.52 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 -1.28 3.12 -4.92 7.83 8.00 -1.26 -2.59 116.55 125.45 1qat n ASP 299 Ca 0.17 -2.80 -0.27 0.00 0.71 0.00 0.00 54.79 52.61 1qat n ASP 299 Cb 0.69 -0.42 -0.02 0.00 -0.02 0.00 0.00 41.12 41.35 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 -2.41 3.57 0.68 -1.24 -1.52 -1.26 -4.80 119.66 112.67 1qat s GLN 300 Ca 0.32 -0.09 -0.17 0.00 -1.95 0.00 0.00 55.36 53.48 1qat s GLN 300 Cb 0.26 -2.61 0.01 0.00 -0.22 0.00 0.00 33.01 30.45 1qat s GLN 300 CO 0.07 0.13 1.22 -2.14 -0.25 0.00 0.00 175.29 174.32 1qat s PRO 301 N -4.00 2.47 0.43 2.91 0.02 -1.26 -4.11 135.00 131.45 1qat s PRO 301 Ca 0.43 1.81 0.20 0.00 0.02 0.00 0.00 61.00 63.46 1qat s PRO 301 Cb -0.10 -1.87 1.14 0.00 0.02 0.00 0.00 34.50 33.69 1qat s PRO 301 CO 0.34 -1.59 1.83 -0.07 -0.33 0.00 0.00 177.00 177.18 1qat h LEU 302 N 0.19 0.37 0.00 -5.54 3.38 -1.58 0.29 115.31 112.41 1qat h LEU 302 Ca -0.49 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1qat h LEU 302 Cb 1.30 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.04 1qat h LEU 302 CO 0.52 0.12 0.00 -1.54 0.09 0.00 0.00 178.44 177.63 1qat n SER 303 N -4.51 0.00 -1.04 -0.43 3.41 -1.26 -1.71 113.62 108.08 1qat n SER 303 Ca 0.21 -0.34 0.10 0.00 -0.26 0.00 0.00 58.87 58.59 1qat n SER 303 Cb 0.80 -0.09 0.21 0.00 -0.26 0.00 0.00 64.21 64.87 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 0.53 -4.43 7.33 8.25 0.10 -4.45 115.22 121.47 1qat n HIS 304 Ca 0.11 -0.31 -0.25 0.00 -0.26 0.00 0.00 57.72 57.01 1qat n HIS 304 Cb 0.08 -0.00 -0.11 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 -1.26 2.21 -0.44 4.41 2.02 -0.69 -1.58 117.35 122.02 1qat s TYR 305 Ca 0.35 -0.37 -0.15 0.00 -0.37 0.00 0.00 57.07 56.53 1qat s TYR 305 Cb 0.20 -1.03 0.04 0.00 -0.40 0.00 0.00 41.96 40.77 1qat s TYR 305 CO 0.28 0.57 0.34 -0.51 -1.57 0.00 0.00 175.55 174.65 1qat s LEU 306 N -3.06 5.33 0.07 -1.29 1.43 -0.04 -4.62 118.68 116.50 1qat s LEU 306 Ca 0.24 -1.08 -0.26 0.00 -1.03 0.00 0.00 54.13 52.00 1qat s LEU 306 Cb -0.06 -2.17 -0.06 0.00 0.03 0.00 0.00 46.19 43.93 1qat s LEU 306 CO 0.12 -0.53 0.82 -0.69 0.23 0.00 0.00 176.35 176.29 1qat s VAL 307 N 1.66 4.64 -0.38 -1.59 1.01 -0.60 -2.46 120.40 122.68 1qat s VAL 307 Ca 0.05 1.76 -0.28 0.00 0.00 0.00 0.00 61.98 63.50 1qat s VAL 307 Cb -0.21 -4.17 -0.01 0.00 0.00 0.00 0.00 36.38 31.99 1qat s VAL 307 CO 0.09 0.36 1.65 -0.55 0.00 0.00 0.00 175.10 176.65 1qat s SER 308 N -0.12 6.04 -0.06 3.32 0.15 -0.53 -4.45 113.70 118.05 1qat s SER 308 Ca 0.41 1.06 0.04 0.00 0.70 0.00 0.00 55.95 58.15 1qat s SER 308 Cb -0.21 -2.53 -0.02 0.00 -1.71 0.00 0.00 66.02 61.54 1qat s SER 308 CO 0.25 -1.63 -0.17 -0.44 1.20 0.00 0.00 173.24 172.45 1qat s SER 309 N 5.32 3.77 0.08 5.45 0.01 -1.26 -0.72 113.70 126.36 1qat s SER 309 Ca 0.72 -0.30 0.04 0.00 1.31 0.00 0.00 55.95 57.72 1qat s SER 309 Cb -0.18 -0.95 -0.04 0.00 0.21 0.00 0.00 66.02 65.06 1qat s SER 309 CO 0.33 0.29 0.02 -0.55 0.41 0.00 0.00 173.24 173.74 1qat s SER 310 N -0.41 5.18 -0.10 2.44 0.15 -0.90 -2.00 113.70 118.06 1qat s SER 310 Ca 0.04 -0.12 0.03 0.00 0.70 0.00 0.00 55.95 56.60 1qat s SER 310 Cb -0.12 -1.29 0.01 0.00 -1.71 0.00 0.00 66.02 62.91 1qat s SER 310 CO 0.02 0.18 -0.19 -2.28 1.20 0.00 0.00 173.24 172.16 1qat s HIS 311 N -1.33 2.21 -1.37 3.44 5.04 -0.71 -4.45 115.29 118.13 1qat s HIS 311 Ca 0.27 -0.93 -0.00 0.00 -1.54 0.00 0.00 55.06 52.85 1qat s HIS 311 Cb -0.12 -1.52 -0.00 0.00 0.04 0.00 0.00 32.58 30.98 1qat s HIS 311 CO 0.19 -0.41 0.52 0.09 -2.34 0.00 0.00 174.74 172.78 1qat n ASN 312 N 3.76 -0.65 -0.33 9.88 4.13 -1.26 -4.61 115.26 126.17 1qat n ASN 312 Ca -0.20 -0.94 0.24 0.00 1.68 0.00 0.00 54.58 55.35 1qat n ASN 312 Cb 0.52 -3.40 0.48 0.00 -1.54 0.00 0.00 39.78 35.84 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 0.30 -0.94 3.41 2.02 -1.84 0.21 112.91 114.22 1qat h THR 313 Ca -0.62 -0.11 0.19 0.00 0.77 0.00 0.00 66.41 66.63 1qat h THR 313 Cb 1.37 -0.05 -0.08 0.00 -1.74 0.00 0.00 68.15 67.64 1qat h THR 313 CO 0.60 0.06 0.60 0.10 0.37 0.00 0.00 175.52 177.26 1qat h TYR 314 N 0.33 0.77 -3.25 3.16 -0.00 -1.84 -3.38 116.97 112.76 1qat h TYR 314 Ca 0.74 0.02 -0.53 0.00 -0.00 0.00 0.00 58.73 58.96 1qat h TYR 314 Cb 1.67 -0.24 0.05 0.00 -0.00 0.00 0.00 36.73 38.21 1qat h TYR 314 CO -0.01 0.21 0.75 -0.51 -0.00 0.00 0.00 178.16 178.60 1qat s LEU 315 N -9.78 4.39 -0.01 0.10 1.43 0.72 -0.98 118.68 114.55 1qat s LEU 315 Ca -0.10 2.57 0.16 0.00 -1.03 0.00 0.00 54.13 55.74 1qat s LEU 315 Cb 0.23 -3.61 -0.20 0.00 0.03 0.00 0.00 46.19 42.64 1qat s LEU 315 CO 0.79 -0.68 0.60 0.18 0.23 0.00 0.00 176.35 177.47 1qat n LEU 316 N 2.82 0.56 0.00 1.79 4.77 -1.05 -4.76 117.00 121.13 1qat n LEU 316 Ca 0.08 -0.37 0.00 0.00 -0.03 0.00 0.00 56.01 55.69 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 0.60 0.14 0.00 -0.62 -1.33 0.00 0.00 177.39 176.18 1qat n GLU 317 N -1.57 0.00 -2.20 3.23 1.02 -1.26 -4.87 120.64 114.99 1qat n GLU 317 Ca 0.01 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 56.89 1qat n GLU 317 Cb 0.30 0.00 0.13 0.00 -0.02 0.00 0.00 31.44 31.85 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 1.00 3.91 0.00 1.62 -4.77 -1.26 -4.65 116.67 112.51 1qat s ASP 318 Ca 0.00 0.11 0.26 0.00 -3.30 0.00 0.00 52.55 49.62 1qat s ASP 318 Cb 0.00 -0.40 0.55 0.00 -1.09 0.00 0.00 42.92 41.97 1qat s ASP 318 CO 0.00 -2.19 1.45 0.00 0.70 0.00 0.00 175.17 175.12 1qat n GLN 319 N -3.28 1.55 -0.04 2.11 1.13 0.21 -4.03 117.38 115.03 1qat n GLN 319 Ca 0.13 -1.11 -0.08 0.00 -1.94 0.00 0.00 57.00 54.01 1qat n GLN 319 Cb 0.60 -1.48 -0.04 0.00 0.11 0.00 0.00 30.24 29.44 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 0.24 1.92 0.00 1.08 4.77 -1.26 -4.83 117.00 118.92 1qat n LEU 320 Ca 0.14 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 1qat n LEU 320 Cb 0.44 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 1qat n LEU 320 CO 0.21 0.44 0.21 0.35 -1.33 0.00 0.00 177.39 177.26 1qat n THR 321 N -3.05 0.17 -1.44 -5.08 -2.24 -1.26 0.18 114.28 101.56 1qat n THR 321 Ca -0.16 -0.31 -0.29 0.00 -2.27 0.00 0.00 64.05 61.01 1qat n THR 321 Cb 0.65 1.26 0.15 0.00 -2.10 0.00 0.00 70.33 70.29 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 -0.17 1.58 0.58 3.38 0.00 -1.26 -4.41 107.32 107.02 1qat s GLY 322 Ca 0.00 -0.53 -0.14 0.00 0.00 0.00 0.00 44.72 44.06 1qat s GLY 322 CO 0.00 0.07 1.02 2.56 0.00 0.00 0.00 173.10 176.74 1qat s PRO 323 N -5.23 3.65 -0.02 2.90 0.04 -1.26 -0.57 135.00 134.51 1qat s PRO 323 Ca 0.65 0.90 0.06 0.00 0.04 0.00 0.00 61.00 62.65 1qat s PRO 323 Cb -0.15 -2.09 -0.01 0.00 0.04 0.00 0.00 34.50 32.28 1qat s PRO 323 CO 0.54 -0.53 -0.21 -1.12 0.04 0.00 0.00 177.00 175.73 1qat s SER 324 N -3.53 2.46 -0.05 6.66 0.01 -1.25 -2.53 113.70 115.46 1qat s SER 324 Ca 0.58 -0.38 -0.25 0.00 1.31 0.00 0.00 55.95 57.20 1qat s SER 324 Cb -0.11 -0.35 0.05 0.00 0.21 0.00 0.00 66.02 65.82 1qat s SER 324 CO 0.43 0.25 0.56 -0.55 0.41 0.00 0.00 173.24 174.33 1qat s SER 325 N -0.41 -0.51 0.46 2.44 0.15 -0.16 -4.79 113.70 110.88 1qat s SER 325 Ca 0.06 0.56 0.22 0.00 0.70 0.00 0.00 55.95 57.49 1qat s SER 325 Cb -0.09 0.53 1.11 0.00 -1.71 0.00 0.00 66.02 65.87 1qat s SER 325 CO -0.00 -0.52 1.95 0.71 1.20 0.00 0.00 173.24 176.58 1qat h THR 326 N 3.38 0.81 -0.86 6.45 1.35 -1.96 -1.36 112.91 120.72 1qat h THR 326 Ca -0.28 -0.86 0.18 0.00 -0.55 0.00 0.00 66.41 64.90 1qat h THR 326 Cb 1.15 1.52 -0.06 0.00 -1.73 0.00 0.00 68.15 69.03 1qat h THR 326 CO 0.37 0.21 0.57 -0.33 -0.25 0.00 0.00 175.52 176.09 1qat h GLU 327 N 0.00 0.42 -0.73 4.72 5.08 -1.94 0.69 114.58 122.81 1qat h GLU 327 Ca -0.00 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.30 1qat h GLU 327 Cb 0.50 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.62 1qat h GLU 327 CO 0.03 0.28 0.32 0.00 -1.00 0.00 0.00 179.01 178.63 1qat h ALA 328 N 1.62 1.17 0.01 3.43 0.00 -1.50 0.15 119.26 124.14 1qat h ALA 328 Ca 0.44 -0.17 -0.19 0.00 0.00 0.00 0.00 54.91 54.99 1qat h ALA 328 Cb 1.05 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1qat h ALA 328 CO -0.16 0.61 -0.88 1.88 0.00 0.00 0.00 179.25 180.69 1qat h TYR 329 N 1.06 0.18 0.25 0.00 0.05 -1.04 -2.51 116.97 114.95 1qat h TYR 329 Ca 0.25 -0.10 -0.01 0.00 0.05 0.00 0.00 58.73 58.92 1qat h TYR 329 Cb 0.16 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 37.89 1qat h TYR 329 CO 0.02 0.94 -0.12 0.82 -1.05 0.00 0.00 178.16 178.76 1qat h ILE 330 N 0.06 0.78 -0.64 -2.88 2.04 -0.70 -1.18 117.51 114.98 1qat h ILE 330 Ca -0.03 -0.74 0.06 0.00 1.00 0.00 0.00 64.86 65.15 1qat h ILE 330 Cb 1.53 1.17 -0.04 0.00 -0.74 0.00 0.00 36.82 38.74 1qat h ILE 330 CO 0.13 0.15 0.43 0.03 0.00 0.00 0.00 178.15 178.88 1qat h ARG 331 N -0.75 0.61 -0.06 2.37 3.08 -0.79 0.03 114.38 118.88 1qat h ARG 331 Ca -0.03 -0.04 -0.11 0.00 0.07 0.00 0.00 59.98 59.87 1qat h ARG 331 Cb 0.50 -0.14 0.01 0.00 0.08 0.00 0.00 29.97 30.41 1qat h ARG 331 CO 0.06 0.40 -0.37 0.00 -1.07 0.00 0.00 179.97 178.99 1qat h ALA 332 N 1.65 0.13 -0.16 0.04 0.00 -1.45 -2.66 119.26 116.82 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 0.29 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1qat h ALA 332 CO -0.09 0.23 -0.05 -0.07 0.00 0.00 0.00 179.25 179.27 1qat h LEU 333 N -0.12 0.21 -0.15 0.00 3.38 -0.56 -0.54 115.31 117.53 1qat h LEU 333 Ca -0.03 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1qat h LEU 333 Cb 1.03 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.73 1qat h LEU 333 CO 0.08 0.31 0.00 0.00 0.09 0.00 0.00 178.44 178.91 1qat n LYS 335 N -2.49 2.29 -1.00 0.00 5.02 -0.32 -4.86 118.16 116.80 1qat n LYS 335 Ca 0.05 -1.56 0.00 0.00 -2.02 0.00 0.00 58.31 54.78 1qat n LYS 335 Cb 0.42 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.95 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 0.93 0.52 3.76 0.72 0.00 -0.63 -4.99 105.19 105.49 1qat n GLY 336 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 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 1.30 1.26 -3.63 0.00 5.12 0.10 -4.55 116.66 116.26 1qat n ARG 338 Ca 0.05 0.04 -0.40 0.00 -1.93 0.00 0.00 57.85 55.61 1qat n ARG 338 Cb 0.38 -1.29 -0.10 0.00 -1.16 0.00 0.00 32.46 30.28 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 1.41 3.87 -0.10 0.00 1.43 -0.17 -2.12 118.68 122.99 1qat s LEU 340 Ca 0.03 0.39 0.00 0.00 -1.03 0.00 0.00 54.13 53.52 1qat s LEU 340 Cb -0.22 -3.26 0.02 0.00 0.03 0.00 0.00 46.19 42.75 1qat s LEU 340 CO 0.02 -0.45 -0.10 -0.70 0.23 0.00 0.00 176.35 175.35 1qat s GLU 341 N -4.41 1.69 -0.29 1.70 2.12 -1.26 0.11 118.70 118.36 1qat s GLU 341 Ca 0.43 -0.34 0.02 0.00 0.36 0.00 0.00 54.97 55.44 1qat s GLU 341 Cb -0.10 -1.61 0.07 0.00 0.26 0.00 0.00 34.13 32.75 1qat s GLU 341 CO 0.37 -0.18 -0.04 -0.51 -0.54 0.00 0.00 175.26 174.36 1qat s LEU 342 N 1.37 3.89 -0.81 2.70 1.02 -0.44 -3.45 118.68 122.96 1qat s LEU 342 Ca -0.01 -1.57 -0.24 0.00 0.02 0.00 0.00 54.13 52.33 1qat s LEU 342 Cb -0.14 -1.61 0.05 0.00 0.02 0.00 0.00 46.19 44.52 1qat s LEU 342 CO -0.05 -0.26 1.24 -1.81 0.02 0.00 0.00 176.35 175.49 1qat s ASP 343 N 1.12 6.29 0.10 2.29 1.11 -1.26 -1.77 116.67 124.55 1qat s ASP 343 Ca -0.03 -0.96 -0.27 0.00 0.18 0.00 0.00 52.55 51.47 1qat s ASP 343 Cb -0.20 -2.52 -0.06 0.00 1.07 0.00 0.00 42.92 41.21 1qat s ASP 343 CO -0.05 -1.60 0.84 0.00 1.18 0.00 0.00 175.17 175.54 1qat s TRP 345 N -0.31 0.64 0.33 0.00 0.52 0.23 -1.62 118.94 118.74 1qat s TRP 345 Ca 0.41 -1.04 -0.28 0.00 0.02 0.00 0.00 56.10 55.21 1qat s TRP 345 Cb -0.22 -0.32 -0.10 0.00 -1.15 0.00 0.00 33.47 31.68 1qat s TRP 345 CO 0.26 -0.56 1.25 -0.51 0.02 0.00 0.00 176.95 177.41 1qat s ASP 346 N -3.00 6.82 0.32 2.95 1.01 -1.26 0.16 116.67 123.67 1qat s ASP 346 Ca 0.19 2.56 0.08 0.00 0.71 0.00 0.00 52.55 56.09 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 -0.01 -0.49 -0.07 -0.83 0.21 0.00 0.00 175.17 173.99 1qat s GLY 347 N -0.65 2.03 0.68 0.21 0.00 -1.04 -4.44 107.32 104.11 1qat s GLY 347 Ca 0.49 -2.01 -0.16 0.00 0.00 0.00 0.00 44.72 43.04 1qat s GLY 347 CO 0.49 -1.94 1.20 -4.14 0.00 0.00 0.00 173.10 168.71 1qat s PRO 348 N -3.68 2.47 -1.48 2.90 0.02 -1.26 -3.55 135.00 130.42 1qat s PRO 348 Ca 0.31 1.74 -0.11 0.00 0.02 0.00 0.00 61.00 62.97 1qat s PRO 348 Cb 0.04 -1.87 0.07 0.00 0.02 0.00 0.00 34.50 32.75 1qat s PRO 348 CO 0.14 -1.58 0.94 0.09 -0.33 0.00 0.00 177.00 176.27 1qat n ASN 349 N -2.34 -4.20 -3.67 2.53 5.03 -1.26 -3.21 115.26 108.14 1qat n ASN 349 Ca 0.13 -0.77 -0.24 0.00 0.87 0.00 0.00 54.58 54.57 1qat n ASN 349 Cb 0.50 -3.98 0.06 0.00 -1.02 0.00 0.00 39.78 35.34 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 -4.63 -6.47 -3.68 3.52 1.13 -1.23 -5.00 117.38 101.02 1qat n GLN 350 Ca -0.03 0.73 -0.26 0.00 -1.94 0.00 0.00 57.00 55.51 1qat n GLN 350 Cb 0.56 -5.64 -0.17 0.00 0.11 0.00 0.00 30.24 25.10 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 -6.15 0.31 0.62 -1.09 0.41 -1.20 -4.97 118.70 106.64 1qat s GLU 351 Ca 0.38 -0.13 -0.18 0.00 -0.41 0.00 0.00 54.97 54.63 1qat s GLU 351 Cb -0.18 -1.70 -0.03 0.00 -1.78 0.00 0.00 34.13 30.44 1qat s GLU 351 CO 0.77 -0.59 1.16 -0.35 -0.49 0.00 0.00 175.26 175.77 1qat n PRO 352 N 5.19 1.06 -4.31 0.39 -0.04 -1.26 -2.49 135.00 133.54 1qat n PRO 352 Ca -0.07 0.41 -0.20 0.00 -0.04 0.00 0.00 63.50 63.60 1qat n PRO 352 Cb 0.49 -2.39 -0.11 0.00 -0.04 0.00 0.00 33.50 31.45 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 -1.43 1.68 -0.09 0.52 -4.36 0.12 -2.34 121.20 115.30 1qat s ILE 353 Ca 0.79 -1.92 0.01 0.00 -0.26 0.00 0.00 60.65 59.28 1qat s ILE 353 Cb -0.40 -1.80 -0.02 0.00 1.25 0.00 0.00 42.46 41.49 1qat s ILE 353 CO 0.44 -0.39 -0.13 -0.63 0.24 0.00 0.00 174.94 174.46 1qat s ILE 354 N -2.24 3.09 -0.14 8.37 1.01 0.86 -0.60 121.20 131.55 1qat s ILE 354 Ca 0.15 -0.68 -0.34 0.00 0.00 0.00 0.00 60.65 59.78 1qat s ILE 354 Cb -0.05 -2.26 0.14 0.00 0.01 0.00 0.00 42.46 40.31 1qat s ILE 354 CO 0.06 0.55 1.33 -0.72 0.00 0.00 0.00 174.94 176.16 1qat s TYR 355 N -0.14 -0.05 -0.85 3.97 1.13 -1.14 -1.45 117.35 118.83 1qat s TYR 355 Ca -0.01 0.00 -0.23 0.00 -1.41 0.00 0.00 57.07 55.43 1qat s TYR 355 Cb -0.14 0.52 0.07 0.00 -1.10 0.00 0.00 41.96 41.31 1qat s TYR 355 CO 0.03 -0.14 1.22 -1.58 -2.51 0.00 0.00 175.55 172.58 1qat s HIS 356 N -2.24 2.65 0.05 -3.49 5.65 -1.26 -4.70 115.29 111.96 1qat s HIS 356 Ca 0.13 -0.73 -0.25 0.00 0.25 0.00 0.00 55.06 54.46 1qat s HIS 356 Cb 0.03 -4.49 -0.13 0.00 -1.18 0.00 0.00 32.58 26.80 1qat s HIS 356 CO -0.04 -1.80 0.61 0.41 -0.65 0.00 0.00 174.74 173.27 1qat n GLY 357 N 5.86 -0.58 2.50 1.59 0.00 -1.26 -3.17 105.19 110.13 1qat n GLY 357 Ca 0.16 0.42 -0.13 0.00 0.00 0.00 0.00 46.02 46.47 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 0.66 -1.18 -4.08 1.61 4.01 -1.26 -5.02 117.16 111.89 1qat n TYR 358 Ca 0.13 0.32 -0.10 0.00 -0.16 0.00 0.00 57.90 58.09 1qat n TYR 358 Cb 0.10 -3.08 -0.07 0.00 -0.31 0.00 0.00 39.34 35.98 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 -2.92 0.00 -1.14 -0.72 -4.23 -1.19 -5.04 115.64 100.40 1qat s THR 359 Ca 0.19 -1.65 0.04 0.00 -1.18 0.00 0.00 61.69 59.08 1qat s THR 359 Cb -0.08 -2.33 0.20 0.00 1.34 0.00 0.00 72.50 71.63 1qat s THR 359 CO 0.23 0.00 0.92 0.49 -0.54 0.00 0.00 174.62 175.72 1qat n PHE 360 N -0.34 0.47 -2.22 3.99 3.72 0.13 -4.90 117.46 118.31 1qat n PHE 360 Ca -0.00 -0.17 -0.42 0.00 -0.05 0.00 0.00 57.45 56.81 1qat n PHE 360 Cb 0.64 -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 -1.54 3.38 0.24 4.37 -4.23 -0.98 -4.49 115.64 112.38 1qat s THR 361 Ca 0.14 1.03 -0.28 0.00 -1.18 0.00 0.00 61.69 61.40 1qat s THR 361 Cb 0.10 -3.66 -0.16 0.00 1.34 0.00 0.00 72.50 70.12 1qat s THR 361 CO 0.06 0.10 0.76 -0.24 -0.54 0.00 0.00 174.62 174.76 1qat n SER 362 N 3.53 -0.01 -4.90 3.99 2.88 0.27 -4.67 113.62 114.70 1qat n SER 362 Ca 0.09 1.15 -0.33 0.00 -1.33 0.00 0.00 58.87 58.46 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 -1.25 3.46 0.06 -1.46 1.02 -1.26 -3.80 119.74 116.51 1qat s LYS 363 Ca 0.62 -0.30 0.01 0.00 0.02 0.00 0.00 55.97 56.31 1qat s LYS 363 Cb -0.82 -3.08 -0.03 0.00 -0.52 0.00 0.00 37.83 33.37 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 -1.35 0.42 0.14 2.17 -4.36 -0.53 -4.93 121.20 112.76 1qat s ILE 364 Ca 0.29 -1.59 -0.30 0.00 -0.26 0.00 0.00 60.65 58.79 1qat s ILE 364 Cb -0.13 -1.22 -0.07 0.00 1.25 0.00 0.00 42.46 42.29 1qat s ILE 364 CO 0.20 -0.77 1.10 -0.76 0.24 0.00 0.00 174.94 174.94 1qat s LEU 365 N -2.50 4.46 0.24 0.37 1.43 -1.26 -0.10 118.68 121.32 1qat s LEU 365 Ca 0.02 2.03 -0.06 0.00 -1.03 0.00 0.00 54.13 55.10 1qat s LEU 365 Cb 0.01 -3.60 0.32 0.00 0.03 0.00 0.00 46.19 42.95 1qat s LEU 365 CO -0.05 -0.25 1.86 0.15 0.23 0.00 0.00 176.35 178.29 1qat h PHE 366 N 5.50 1.02 -0.32 0.29 3.57 -1.78 -1.11 116.94 124.11 1qat h PHE 366 Ca -0.44 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.07 1qat h PHE 366 Cb 1.21 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 39.61 1qat h PHE 366 CO 0.64 0.54 0.09 0.00 -2.23 0.00 0.00 178.31 177.35 1qat h ASP 368 N 0.36 -0.10 -0.95 0.00 3.32 -1.84 -1.04 116.42 116.17 1qat h ASP 368 Ca 0.10 0.02 0.18 0.00 0.02 0.00 0.00 57.03 57.35 1qat h ASP 368 Cb 0.26 0.05 -0.08 0.00 0.22 0.00 0.00 39.33 39.78 1qat h ASP 368 CO -0.00 -0.05 0.60 0.58 -1.72 0.00 0.00 179.24 178.65 1qat h VAL 369 N -0.06 0.75 -0.18 -1.35 2.07 -1.14 -1.35 116.25 114.99 1qat h VAL 369 Ca 0.02 -0.22 -0.22 0.00 0.82 0.00 0.00 66.70 67.10 1qat h VAL 369 Cb 0.08 0.04 0.01 0.00 -1.52 0.00 0.00 31.29 29.90 1qat h VAL 369 CO -0.04 0.12 -0.74 -0.07 0.02 0.00 0.00 177.57 176.86 1qat h LEU 370 N 0.65 0.94 -0.99 2.57 3.38 -0.66 -1.80 115.31 119.39 1qat h LEU 370 Ca 0.50 -0.59 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1qat h LEU 370 Cb 0.91 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.34 1qat h LEU 370 CO -0.26 1.39 0.47 0.03 0.09 0.00 0.00 178.44 180.17 1qat h ARG 371 N 0.56 1.18 -0.32 1.13 3.08 -0.24 0.55 114.38 120.31 1qat h ARG 371 Ca -0.04 -0.13 -0.02 0.00 0.07 0.00 0.00 59.98 59.86 1qat h ARG 371 Cb 1.36 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 31.16 1qat h ARG 371 CO 0.15 0.85 0.14 0.00 -1.07 0.00 0.00 179.97 180.04 1qat h ALA 372 N 1.33 0.41 -0.43 0.04 0.00 -1.22 -2.09 119.26 117.31 1qat h ALA 372 Ca 0.30 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 1qat h ALA 372 Cb 0.01 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1qat h ALA 372 CO -0.05 -0.00 -0.06 0.82 0.00 0.00 0.00 179.25 179.96 1qat h ILE 373 N 0.37 1.25 0.52 0.00 2.04 -0.76 -2.47 117.51 118.46 1qat h ILE 373 Ca 0.11 -1.06 -0.02 0.00 1.00 0.00 0.00 64.86 64.88 1qat h ILE 373 Cb 0.16 0.98 0.00 0.00 -0.74 0.00 0.00 36.82 37.22 1qat h ILE 373 CO -0.01 0.37 -0.26 -0.09 0.00 0.00 0.00 178.15 178.15 1qat h ARG 374 N 0.68 -0.69 -0.22 2.37 2.43 -0.59 -0.16 114.38 118.19 1qat h ARG 374 Ca 0.13 0.05 0.01 0.00 -0.81 0.00 0.00 59.98 59.35 1qat h ARG 374 Cb 0.51 0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 30.20 1qat h ARG 374 CO 0.03 -0.46 0.12 -0.44 -1.51 0.00 0.00 179.97 177.71 1qat h ASP 375 N -0.72 0.19 0.03 -3.80 3.32 -1.31 -3.25 116.42 110.89 1qat h ASP 375 Ca -0.07 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.99 1qat h ASP 375 Cb 0.56 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.07 1qat h ASP 375 CO 0.11 0.14 -0.16 -1.22 -1.72 0.00 0.00 179.24 176.39 1qat n TYR 376 N -4.98 0.00 -0.29 4.55 4.01 -0.94 -4.58 117.16 114.94 1qat n TYR 376 Ca -0.03 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.78 1qat n TYR 376 Cb 0.05 -0.02 0.22 0.00 -0.31 0.00 0.00 39.34 39.27 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 4.22 1.25 -0.05 -0.72 0.00 -1.05 -3.04 119.26 119.87 1qat h ALA 377 Ca 0.00 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1qat h ALA 377 Cb 0.71 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 1qat h ALA 377 CO 0.00 -0.09 -0.05 1.19 0.00 0.00 0.00 179.25 180.30 1qat n PHE 378 N -4.88 0.17 -0.09 0.00 3.72 -1.26 -4.64 117.46 110.48 1qat n PHE 378 Ca 0.16 -1.04 -0.10 0.00 -0.05 0.00 0.00 57.45 56.42 1qat n PHE 378 Cb 0.42 -0.19 -0.03 0.00 -0.94 0.00 0.00 39.48 38.74 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 0.38 0.42 -0.00 -1.08 1.79 -1.79 -3.23 116.57 113.06 1qat h LYS 379 Ca 0.01 -0.10 0.00 0.00 -2.18 0.00 0.00 60.65 58.38 1qat h LYS 379 Cb 1.08 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.67 1qat h LYS 379 CO 0.04 0.50 -0.65 0.00 -1.08 0.00 0.00 179.45 178.26 1qat n ALA 380 N -2.29 3.95 -3.54 3.86 0.00 -1.26 -4.97 120.51 116.25 1qat n ALA 380 Ca -0.03 -0.51 -0.14 0.00 0.00 0.00 0.00 53.44 52.76 1qat n ALA 380 Cb 0.17 -0.93 -0.05 0.00 0.00 0.00 0.00 19.45 18.64 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 0.00 0.00 0.15 -1.22 -4.70 113.70 104.59 1qat s SER 381 Ca 0.13 0.55 0.24 0.00 0.70 0.00 0.00 55.95 57.57 1qat s SER 381 Cb 0.17 0.43 0.37 0.00 -1.71 0.00 0.00 66.02 65.29 1qat s SER 381 CO 0.72 -0.49 1.32 -0.81 1.20 0.00 0.00 173.24 175.18 1qat n PRO 382 N 0.79 0.06 -2.46 5.44 -0.04 -1.26 -4.17 135.00 133.36 1qat n PRO 382 Ca -0.15 -0.04 -0.35 0.00 -0.04 0.00 0.00 63.50 62.92 1qat n PRO 382 Cb 0.58 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.51 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 -2.97 3.01 0.22 0.54 2.02 -1.26 0.13 117.35 119.05 1qat s TYR 383 Ca 0.11 1.58 -0.31 0.00 -0.37 0.00 0.00 57.07 58.09 1qat s TYR 383 Cb 0.17 -3.17 -0.15 0.00 -0.40 0.00 0.00 41.96 38.42 1qat s TYR 383 CO 0.72 -0.99 1.10 -0.35 -1.57 0.00 0.00 175.55 174.47 1qat n PRO 384 N -0.67 1.26 -4.56 -1.71 -0.04 -1.23 -4.57 135.00 123.48 1qat n PRO 384 Ca 0.08 0.45 -0.34 0.00 -0.04 0.00 0.00 63.50 63.65 1qat n PRO 384 Cb 0.51 -1.89 -0.12 0.00 -0.04 0.00 0.00 33.50 31.95 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 -0.53 3.68 -0.25 0.52 -7.23 -1.05 -4.86 120.40 110.67 1qat s VAL 385 Ca 0.67 -0.46 -0.09 0.00 -1.81 0.00 0.00 61.98 60.29 1qat s VAL 385 Cb -0.78 -2.55 -0.04 0.00 0.56 0.00 0.00 36.38 33.56 1qat s VAL 385 CO 0.55 0.54 0.11 -0.63 -0.31 0.00 0.00 175.10 175.37 1qat s ILE 386 N -0.13 4.77 -0.55 -0.62 1.01 0.73 -2.00 121.20 124.40 1qat s ILE 386 Ca 0.02 -0.02 -0.18 0.00 0.00 0.00 0.00 60.65 60.47 1qat s ILE 386 Cb -0.13 -3.23 0.09 0.00 0.01 0.00 0.00 42.46 39.20 1qat s ILE 386 CO 0.03 0.33 0.62 -0.76 0.00 0.00 0.00 174.94 175.16 1qat s LEU 387 N 1.45 5.44 -0.19 2.97 1.43 -0.16 -1.00 118.68 128.63 1qat s LEU 387 Ca 0.06 -1.36 -0.29 0.00 -1.03 0.00 0.00 54.13 51.51 1qat s LEU 387 Cb -0.15 -2.31 -0.01 0.00 0.03 0.00 0.00 46.19 43.75 1qat s LEU 387 CO 0.06 -0.98 1.32 -0.55 0.23 0.00 0.00 176.35 176.43 1qat s SER 388 N 3.31 6.83 -0.14 2.29 0.15 0.12 -1.18 113.70 125.08 1qat s SER 388 Ca 0.10 1.62 -0.07 0.00 0.70 0.00 0.00 55.95 58.30 1qat s SER 388 Cb -0.24 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.49 1qat s SER 388 CO 0.07 -0.88 0.12 -0.76 1.20 0.00 0.00 173.24 172.99 1qat s LEU 389 N 3.84 4.22 -0.52 3.45 1.43 -0.34 -1.33 118.68 129.44 1qat s LEU 389 Ca 0.58 0.36 0.04 0.00 -1.03 0.00 0.00 54.13 54.07 1qat s LEU 389 Cb -0.22 -2.04 0.14 0.00 0.03 0.00 0.00 46.19 44.10 1qat s LEU 389 CO 0.18 0.34 0.28 -0.70 0.23 0.00 0.00 176.35 176.69 1qat s GLU 390 N -0.63 1.87 0.09 1.70 2.12 -0.73 -4.59 118.70 118.53 1qat s GLU 390 Ca 0.13 -2.57 -0.30 0.00 0.36 0.00 0.00 54.97 52.59 1qat s GLU 390 Cb -0.12 -3.09 -0.06 0.00 0.26 0.00 0.00 34.13 31.13 1qat s GLU 390 CO 0.02 -1.15 1.03 1.21 -0.54 0.00 0.00 175.26 175.84 1qat s ASN 391 N -0.28 7.36 0.00 -1.70 3.04 -1.26 -0.31 114.94 121.78 1qat s ASN 391 Ca 0.18 1.86 0.00 0.00 0.04 0.00 0.00 52.86 54.94 1qat s ASN 391 Cb -0.23 -2.59 0.00 0.00 -1.54 0.00 0.00 41.25 36.90 1qat s ASN 391 CO -0.02 -0.20 0.00 1.41 -3.04 0.00 0.00 177.10 175.25 1qat n HIS 392 N 3.10 0.00 -0.99 0.43 8.25 -0.64 -4.96 115.22 120.41 1qat n HIS 392 Ca 0.04 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.17 1qat n HIS 392 Cb 0.49 0.00 0.14 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 -2.30 4.96 0.30 0.00 1.04 -1.26 -4.68 113.70 111.77 1qat s SER 394 Ca 0.71 1.44 0.03 0.00 0.48 0.00 0.00 55.95 58.61 1qat s SER 394 Cb -0.27 -2.24 0.61 0.00 0.10 0.00 0.00 66.02 64.22 1qat s SER 394 CO 0.53 -1.69 1.86 -0.07 0.98 0.00 0.00 173.24 174.85 1qat h LEU 395 N -0.89 0.86 -0.84 2.42 3.38 -1.95 0.74 115.31 119.04 1qat h LEU 395 Ca -0.45 0.04 -0.12 0.00 0.09 0.00 0.00 57.88 57.43 1qat h LEU 395 Cb 1.24 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 1qat h LEU 395 CO 0.58 0.47 -0.53 -0.08 0.09 0.00 0.00 178.44 178.97 1qat h GLU 396 N 0.93 0.13 0.00 1.13 4.57 -1.99 -0.65 114.58 118.70 1qat h GLU 396 Ca 0.46 -0.08 0.00 0.00 -1.18 0.00 0.00 59.36 58.57 1qat h GLU 396 Cb 0.48 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.08 1qat h GLU 396 CO -0.22 0.63 -0.39 1.96 -1.18 0.00 0.00 179.01 179.81 1qat h GLN 397 N 0.10 0.00 -0.07 1.92 4.20 -1.48 -2.77 115.11 117.01 1qat h GLN 397 Ca -0.00 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.54 1qat h GLN 397 Cb 0.98 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.75 1qat h GLN 397 CO 0.08 0.00 -0.70 1.96 -0.67 0.00 0.00 178.83 179.49 1qat h GLN 398 N 0.00 0.34 -0.29 1.46 4.20 0.89 -1.29 115.11 120.41 1qat h GLN 398 Ca 0.00 -0.27 -0.08 0.00 0.06 0.00 0.00 58.65 58.36 1qat h GLN 398 Cb 0.95 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.76 1qat h GLN 398 CO 0.00 0.91 -0.15 0.00 -0.67 0.00 0.00 178.83 178.92 1qat h ARG 399 N 0.23 0.51 -0.00 1.46 3.08 -1.03 -1.16 114.38 117.47 1qat h ARG 399 Ca -0.02 -0.16 -0.00 0.00 0.07 0.00 0.00 59.98 59.87 1qat h ARG 399 Cb 1.26 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 31.26 1qat h ARG 399 CO 0.12 0.65 -0.00 0.28 -1.07 0.00 0.00 179.97 179.95 1qat h VAL 400 N 0.47 1.26 -0.62 2.04 2.07 -1.17 -1.43 116.25 118.87 1qat h VAL 400 Ca 0.08 -0.78 0.12 0.00 0.82 0.00 0.00 66.70 66.95 1qat h VAL 400 Cb 0.53 1.79 -0.10 0.00 -1.52 0.00 0.00 31.29 31.99 1qat h VAL 400 CO 0.03 0.20 0.08 0.24 0.02 0.00 0.00 177.57 178.14 1qat h MET 401 N -0.32 0.19 -0.52 1.57 2.86 -1.02 0.15 114.93 117.84 1qat h MET 401 Ca 0.00 -0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.60 1qat h MET 401 Cb 0.33 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.92 1qat h MET 401 CO 0.00 0.12 0.19 0.00 1.06 0.00 0.00 176.91 178.29 1qat h ALA 402 N 1.53 1.37 -0.17 6.32 0.00 -1.02 -0.58 119.26 126.70 1qat h ALA 402 Ca 0.33 -0.15 -0.20 0.00 0.00 0.00 0.00 54.91 54.89 1qat h ALA 402 Cb 0.52 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1qat h ALA 402 CO -0.47 0.47 -0.70 0.00 0.00 0.00 0.00 179.25 178.56 1qat h ARG 403 N 0.74 0.71 -0.36 0.00 2.47 0.05 -2.67 114.38 115.33 1qat h ARG 403 Ca 0.18 -0.54 -0.17 0.00 -1.26 0.00 0.00 59.98 58.19 1qat h ARG 403 Cb 0.17 0.10 -0.00 0.00 -1.65 0.00 0.00 29.97 28.58 1qat h ARG 403 CO -0.01 1.15 -0.43 0.45 0.56 0.00 0.00 179.97 181.69 1qat h HIS 404 N 0.51 1.12 0.69 3.04 3.86 -0.87 0.06 115.15 123.56 1qat h HIS 404 Ca -0.03 -0.36 -0.03 0.00 -1.16 0.00 0.00 60.37 58.80 1qat h HIS 404 Cb 1.30 -0.23 -0.00 0.00 1.06 0.00 0.00 27.41 29.54 1qat h HIS 404 CO 0.07 1.19 -0.40 -0.07 0.86 0.00 0.00 177.93 179.58 1qat h LEU 405 N 0.73 -0.98 -1.19 2.43 3.38 -1.12 0.40 115.31 118.95 1qat h LEU 405 Ca 0.05 0.05 -0.08 0.00 0.09 0.00 0.00 57.88 57.99 1qat h LEU 405 Cb 1.03 0.28 -0.01 0.00 0.09 0.00 0.00 40.66 42.05 1qat h LEU 405 CO 0.10 -0.63 -0.32 0.03 0.09 0.00 0.00 178.44 177.71 1qat h ARG 406 N -1.02 0.14 0.03 1.13 3.08 -1.54 -1.12 114.38 115.09 1qat h ARG 406 Ca -0.09 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 59.91 1qat h ARG 406 Cb 0.81 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.85 1qat h ARG 406 CO 0.11 0.45 -0.02 0.00 -1.07 0.00 0.00 179.97 179.44 1qat h ALA 407 N 1.55 -0.05 0.10 0.04 0.00 -0.80 -2.53 119.26 117.57 1qat h ALA 407 Ca 0.02 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 1qat h ALA 407 Cb 0.63 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1qat h ALA 407 CO 0.05 -0.10 -0.05 0.82 0.00 0.00 0.00 179.25 179.97 1qat h ILE 408 N -0.89 1.11 -0.43 0.00 2.04 -0.25 -3.34 117.51 115.74 1qat h ILE 408 Ca -0.00 -1.25 -0.14 0.00 1.00 0.00 0.00 64.86 64.47 1qat h ILE 408 Cb 0.70 1.84 -0.01 0.00 -0.74 0.00 0.00 36.82 38.61 1qat h ILE 408 CO 0.01 0.28 -0.28 -0.07 0.00 0.00 0.00 178.15 178.09 1qat h LEU 409 N -0.76 1.00 0.00 1.44 3.38 -1.29 -3.48 115.31 115.60 1qat h LEU 409 Ca -0.01 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1qat h LEU 409 Cb 0.56 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1qat h LEU 409 CO 0.02 1.21 0.00 0.61 0.09 0.00 0.00 178.44 180.37 1qat n GLY 410 N -0.00 2.38 0.47 0.83 0.00 -0.95 -2.89 105.19 105.03 1qat n GLY 410 Ca -0.01 -0.44 0.28 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.34 1.61 0.13 -1.93 0.22 132.00 131.69 1qat h PRO 411 Ca 0.00 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 65.21 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 0.24 0.82 -0.23 0.00 0.00 178.00 178.83 1qat h ILE 412 N 0.00 0.88 -3.97 -3.56 2.04 -1.82 -3.43 117.51 107.66 1qat h ILE 412 Ca 0.41 -0.04 -0.50 0.00 1.00 0.00 0.00 64.86 65.73 1qat h ILE 412 Cb 1.80 0.76 0.04 0.00 -0.74 0.00 0.00 36.82 38.69 1qat h ILE 412 CO -0.00 0.02 0.46 -0.22 0.00 0.00 0.00 178.15 178.41 1qat s LEU 413 N -9.02 4.11 -0.71 1.44 2.96 0.06 -0.38 118.68 117.14 1qat s LEU 413 Ca -0.06 2.21 -0.15 0.00 -0.22 0.00 0.00 54.13 55.91 1qat s LEU 413 Cb 0.19 -4.16 0.18 0.00 0.50 0.00 0.00 46.19 42.90 1qat s LEU 413 CO 0.71 -0.68 0.66 -0.22 -1.32 0.00 0.00 176.35 175.50 1qat s LEU 414 N -2.73 6.50 0.20 -0.68 2.96 0.06 -4.79 118.68 120.21 1qat s LEU 414 Ca 0.59 -2.31 0.17 0.00 -0.22 0.00 0.00 54.13 52.36 1qat s LEU 414 Cb -0.26 -2.21 -0.00 0.00 0.50 0.00 0.00 46.19 44.21 1qat s LEU 414 CO 0.33 -0.70 1.18 -2.24 -1.32 0.00 0.00 176.35 173.60 1qat h ASP 415 N 8.25 0.00 -4.70 3.68 2.03 -1.89 -3.45 116.42 120.34 1qat h ASP 415 Ca -0.06 0.00 -0.30 0.00 -0.73 0.00 0.00 57.03 55.94 1qat h ASP 415 Cb 1.06 0.00 -0.21 0.00 -0.83 0.00 0.00 39.33 39.35 1qat h ASP 415 CO 0.88 0.46 -0.74 -1.10 -1.03 0.00 0.00 179.24 177.70 1qat s GLN 416 N -3.00 0.59 1.19 4.15 -1.52 -1.26 -4.73 119.66 115.08 1qat s GLN 416 Ca 0.01 -0.81 -0.13 0.00 -1.95 0.00 0.00 55.36 52.48 1qat s GLN 416 Cb 0.08 -0.40 0.30 0.00 -0.22 0.00 0.00 33.01 32.77 1qat s GLN 416 CO 0.77 0.08 1.02 -1.25 -0.25 0.00 0.00 175.29 175.65 1qat s PRO 417 N -1.66 -1.16 -0.11 2.91 0.04 -1.26 -5.01 135.00 128.76 1qat s PRO 417 Ca -0.08 0.80 -0.12 0.00 0.04 0.00 0.00 61.00 61.65 1qat s PRO 417 Cb -0.10 -1.53 -0.05 0.00 0.04 0.00 0.00 34.50 32.87 1qat s PRO 417 CO 0.01 -3.87 0.26 -0.51 0.04 0.00 0.00 177.00 172.92 1qat s LEU 418 N -7.31 4.35 0.10 -3.56 1.43 -1.26 -5.05 118.68 107.37 1qat s LEU 418 Ca 0.69 0.59 -0.31 0.00 -1.03 0.00 0.00 54.13 54.07 1qat s LEU 418 Cb -0.25 -2.31 -0.07 0.00 0.03 0.00 0.00 46.19 43.58 1qat s LEU 418 CO 0.65 0.26 1.37 -0.62 0.23 0.00 0.00 176.35 178.25 1qat s ASP 419 N -0.43 6.85 0.00 2.29 2.15 -1.26 -2.67 116.67 123.61 1qat s ASP 419 Ca 0.17 2.28 0.00 0.00 0.43 0.00 0.00 52.55 55.43 1qat s ASP 419 Cb -0.13 -2.58 0.00 0.00 -0.30 0.00 0.00 42.92 39.90 1qat s ASP 419 CO 0.06 -0.64 0.00 0.61 -0.17 0.00 0.00 175.17 175.03 1qat n GLY 420 N 3.49 2.79 3.53 2.66 0.00 -1.26 -5.00 105.19 111.40 1qat n GLY 420 Ca 0.11 -0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.39 4.07 0.00 1.61 1.01 -1.09 -4.67 120.40 118.94 1qat s VAL 421 Ca 0.00 0.28 0.00 0.00 0.00 0.00 0.00 61.98 62.26 1qat s VAL 421 Cb 0.00 -4.75 0.00 0.00 0.00 0.00 0.00 36.38 31.63 1qat s VAL 421 CO 0.00 -1.51 0.00 0.35 0.00 0.00 0.00 175.10 173.94 1qat n THR 422 N 6.28 0.00 0.22 3.92 -2.24 -1.26 -4.72 114.28 116.47 1qat n THR 422 Ca 0.02 -0.03 0.02 0.00 -2.27 0.00 0.00 64.05 61.79 1qat n THR 422 Cb 0.48 0.42 -0.03 0.00 -2.10 0.00 0.00 70.33 69.10 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 -0.21 0.00 -3.61 4.28 5.66 -1.26 -5.05 114.28 114.09 1qat n THR 423 Ca 0.00 -0.36 -0.12 0.00 -3.05 0.00 0.00 64.05 60.53 1qat n THR 423 Cb 0.00 0.94 -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 -1.58 -0.52 0.28 1.09 0.01 -1.26 -4.85 113.70 106.86 1qat s SER 424 Ca 0.02 0.88 -0.24 0.00 1.31 0.00 0.00 55.95 57.91 1qat s SER 424 Cb 0.04 0.84 -0.16 0.00 0.21 0.00 0.00 66.02 66.95 1qat s SER 424 CO 0.21 -0.27 0.33 0.18 0.41 0.00 0.00 173.24 174.10 1qat n LEU 425 N 1.83 -1.88 0.00 2.44 4.77 -1.26 -4.92 117.00 117.98 1qat n LEU 425 Ca -0.13 0.97 -0.04 0.00 -0.03 0.00 0.00 56.01 56.78 1qat n LEU 425 Cb 0.56 -0.90 0.04 0.00 -2.33 0.00 0.00 43.42 40.79 1qat n LEU 425 CO 0.08 -3.40 0.08 -0.81 -1.33 0.00 0.00 177.39 172.00 1qat n PRO 426 N 1.11 -1.57 -4.24 3.23 -0.04 -1.26 -4.35 135.00 127.87 1qat n PRO 426 Ca 0.15 -0.23 -0.25 0.00 -0.04 0.00 0.00 63.50 63.12 1qat n PRO 426 Cb 0.30 -0.24 -0.07 0.00 -0.04 0.00 0.00 33.50 33.45 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 -1.98 4.67 0.49 3.54 1.04 -1.26 -1.92 113.70 118.29 1qat s SER 427 Ca 0.10 -0.50 0.24 0.00 0.48 0.00 0.00 55.95 56.27 1qat s SER 427 Cb -0.01 -0.94 1.30 0.00 0.10 0.00 0.00 66.02 66.47 1qat s SER 427 CO 0.08 0.05 1.91 -0.65 0.98 0.00 0.00 173.24 175.60 1qat h PRO 428 N 2.33 0.16 0.03 4.02 0.11 -1.72 0.26 132.00 137.18 1qat h PRO 428 Ca -0.46 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.64 1qat h PRO 428 Cb 1.22 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1qat h PRO 428 CO 0.59 0.10 -0.01 0.93 -0.21 0.00 0.00 178.00 179.40 1qat h GLU 429 N 0.16 -0.04 0.00 1.05 4.39 -1.86 -1.58 114.58 116.71 1qat h GLU 429 Ca 0.39 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.09 1qat h GLU 429 Cb 1.29 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.95 1qat h GLU 429 CO -0.07 0.31 0.00 1.96 -1.16 0.00 0.00 179.01 180.06 1qat h GLN 430 N -0.39 0.00 -0.05 2.33 4.20 -1.25 -1.67 115.11 118.28 1qat h GLN 430 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1qat h GLN 430 Cb 0.37 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.15 1qat h GLN 430 CO 0.01 0.00 0.00 1.28 -0.67 0.00 0.00 178.83 179.45 1qat n LEU 431 N -2.35 2.45 -4.75 1.46 4.77 -0.72 -4.93 117.00 112.92 1qat n LEU 431 Ca -0.01 -2.71 -0.41 0.00 -0.03 0.00 0.00 56.01 52.84 1qat n LEU 431 Cb 0.06 -0.31 -0.01 0.00 -2.33 0.00 0.00 43.42 40.83 1qat n LEU 431 CO 0.12 0.65 1.23 -0.54 -1.33 0.00 0.00 177.39 177.52 1qat s LYS 432 N -2.24 4.12 -1.43 3.23 1.02 -0.62 -2.05 119.74 121.78 1qat s LYS 432 Ca 0.24 2.57 0.00 0.00 0.02 0.00 0.00 55.97 58.80 1qat s LYS 432 Cb 0.20 -3.02 0.00 0.00 -0.52 0.00 0.00 37.83 34.49 1qat s LYS 432 CO 0.03 -0.61 0.00 0.41 -0.92 0.00 0.00 175.35 174.26 1qat n GLY 433 N 1.92 1.30 3.58 -3.33 0.00 0.36 -4.88 105.19 104.13 1qat n GLY 433 Ca 0.07 -0.38 -0.27 0.00 0.00 0.00 0.00 46.02 45.44 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 -3.28 1.89 -0.04 1.61 2.47 -0.87 -4.73 119.74 116.79 1qat s LYS 434 Ca 0.00 -2.01 0.02 0.00 -1.56 0.00 0.00 55.97 52.42 1qat s LYS 434 Cb 0.00 -1.68 0.01 0.00 -1.46 0.00 0.00 37.83 34.70 1qat s LYS 434 CO 0.00 0.05 -0.09 0.42 0.16 0.00 0.00 175.35 175.89 1qat s ILE 435 N -2.65 0.84 0.14 5.43 1.01 0.49 -2.54 121.20 123.92 1qat s ILE 435 Ca 0.34 -0.35 0.09 0.00 0.00 0.00 0.00 60.65 60.73 1qat s ILE 435 Cb 0.06 -0.78 -0.04 0.00 0.01 0.00 0.00 42.46 41.71 1qat s ILE 435 CO 0.17 0.28 -0.16 -0.76 0.00 0.00 0.00 174.94 174.47 1qat s LEU 436 N 0.48 2.75 -0.07 2.97 1.43 -0.85 -0.76 118.68 124.63 1qat s LEU 436 Ca -0.08 -0.59 -0.02 0.00 -1.03 0.00 0.00 54.13 52.40 1qat s LEU 436 Cb -0.12 -1.54 -0.04 0.00 0.03 0.00 0.00 46.19 44.52 1qat s LEU 436 CO 0.01 0.15 0.03 -0.76 0.23 0.00 0.00 176.35 176.02 1qat s LEU 437 N -2.38 3.75 -0.07 1.79 1.43 -1.26 -0.99 118.68 120.95 1qat s LEU 437 Ca 0.20 0.18 0.03 0.00 -1.03 0.00 0.00 54.13 53.52 1qat s LEU 437 Cb -0.10 -1.94 -0.02 0.00 0.03 0.00 0.00 46.19 44.16 1qat s LEU 437 CO 0.11 0.36 -0.15 -0.75 0.23 0.00 0.00 176.35 176.16 1qat s LYS 438 N -1.08 2.70 0.00 1.70 2.20 -0.32 -4.33 119.74 120.60 1qat s LYS 438 Ca 0.15 -0.71 0.00 0.00 -0.36 0.00 0.00 55.97 55.06 1qat s LYS 438 Cb -0.12 -2.42 0.00 0.00 -1.51 0.00 0.00 37.83 33.79 1qat s LYS 438 CO 0.05 0.52 0.00 0.41 -0.36 0.00 0.00 175.35 175.97 1qat n GLY 439 N 2.61 -2.06 3.73 5.54 0.00 -1.02 -1.20 105.19 112.79 1qat n GLY 439 Ca -0.17 -1.23 -0.35 0.00 0.00 0.00 0.00 46.02 44.26 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 -1.87 2.46 -0.05 1.61 -0.14 -1.26 0.32 119.74 120.81 1qat s LYS 440 Ca 0.00 1.87 -0.02 0.00 -1.36 0.00 0.00 55.97 56.46 1qat s LYS 440 Cb 0.00 -1.86 0.04 0.00 -1.68 0.00 0.00 37.83 34.33 1qat s LYS 440 CO 0.00 -1.62 0.10 0.21 -0.76 0.00 0.00 175.35 173.28 1qat s LYS 441 N -3.61 -0.01 -0.06 1.68 2.20 -1.26 -4.80 119.74 113.88 1qat s LYS 441 Ca 0.78 0.39 -0.05 0.00 -0.36 0.00 0.00 55.97 56.72 1qat s LYS 441 Cb -0.32 -0.33 -0.02 0.00 -1.51 0.00 0.00 37.83 35.65 1qat s LYS 441 CO 0.41 -0.26 0.25 1.28 -0.36 0.00 0.00 175.35 176.67 1qat n LEU 442 N 4.86 0.09 -1.44 5.43 4.77 -1.26 -4.86 117.00 124.59 1qat n LEU 442 Ca -0.13 0.08 0.08 0.00 -0.03 0.00 0.00 56.01 56.01 1qat n LEU 442 Cb 0.50 -0.10 0.34 0.00 -2.33 0.00 0.00 43.42 41.82 1qat n LEU 442 CO 0.11 -0.09 0.80 0.61 -1.33 0.00 0.00 177.39 177.49 1qat n GLY 443 N 0.86 3.31 0.00 -0.72 0.00 -1.26 -5.18 105.19 102.19 1qat n GLY 443 Ca 0.06 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.16 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 0.31 -0.35 1.11 -0.02 0.00 -1.26 -5.29 105.19 99.69 1qat n GLY 444 Ca 0.24 0.23 -0.01 0.00 0.00 0.00 0.00 46.02 46.48 1qat n GLY 444 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1qat n LYS 487 N -0.20 -1.05 -3.58 1.61 0.00 -1.26 -5.14 118.16 108.54 1qat n LYS 487 Ca 0.00 0.07 -0.01 0.00 0.00 0.00 0.00 58.31 58.37 1qat n LYS 487 Cb 0.00 -4.10 -0.05 0.00 0.00 0.00 0.00 35.03 30.88 1qat n LYS 487 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 1qat s LEU 488 N -2.20 -0.93 0.09 3.14 2.96 -1.26 -4.97 118.68 115.51 1qat s LEU 488 Ca 0.00 1.31 -0.30 0.00 -0.22 0.00 0.00 54.13 54.92 1qat s LEU 488 Cb 0.00 2.11 -0.05 0.00 0.50 0.00 0.00 46.19 48.75 1qat s LEU 488 CO 0.00 -0.19 0.97 0.68 -1.32 0.00 0.00 176.35 176.49 1qat s VAL 489 N 2.51 4.55 0.38 1.68 -7.23 -1.26 -4.90 120.40 116.14 1qat s VAL 489 Ca -0.06 2.07 0.15 0.00 -1.81 0.00 0.00 61.98 62.33 1qat s VAL 489 Cb -0.09 -4.32 0.37 0.00 0.56 0.00 0.00 36.38 32.90 1qat s VAL 489 CO -0.18 0.29 1.79 -0.65 -0.31 0.00 0.00 175.10 176.04 1qat h PRO 490 N 5.77 0.46 -0.46 4.82 0.11 -1.99 0.26 132.00 140.97 1qat h PRO 490 Ca -0.43 -0.03 0.09 0.00 0.11 0.00 0.00 66.00 65.75 1qat h PRO 490 Cb 1.21 -0.10 -0.08 0.00 0.11 0.00 0.00 31.00 32.14 1qat h PRO 490 CO 0.72 0.31 -0.02 0.93 -0.21 0.00 0.00 178.00 179.73 1qat h GLU 491 N 0.48 0.09 0.00 1.05 3.07 -1.96 -1.20 114.58 116.11 1qat h GLU 491 Ca 0.56 -0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 59.41 1qat h GLU 491 Cb 1.28 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 29.17 1qat h GLU 491 CO -0.29 0.06 -0.00 -0.07 -1.40 0.00 0.00 179.01 177.31 1qat h LEU 492 N 0.09 -0.01 -1.32 1.33 3.38 -0.89 -3.34 115.31 114.55 1qat h LEU 492 Ca 0.23 -0.69 0.07 0.00 0.09 0.00 0.00 57.88 57.59 1qat h LEU 492 Cb 0.34 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.05 1qat h LEU 492 CO -0.40 0.69 0.51 -1.28 0.09 0.00 0.00 178.44 178.05 1qat h SER 493 N -0.70 0.71 0.27 -0.43 0.87 -0.81 -0.65 113.55 112.81 1qat h SER 493 Ca -0.00 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1qat h SER 493 Cb 0.69 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.51 1qat h SER 493 CO 0.00 0.45 0.00 0.47 -0.53 0.00 0.00 176.83 177.22 1qat n ASP 494 N -4.49 0.35 0.05 6.23 8.00 -0.47 -1.82 116.55 124.40 1qat n ASP 494 Ca 0.12 0.63 0.12 0.00 0.71 0.00 0.00 54.79 56.37 1qat n ASP 494 Cb 0.25 -0.69 0.18 0.00 -0.02 0.00 0.00 41.12 40.85 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 -1.93 0.23 -2.87 -1.24 2.81 -0.25 -4.70 117.12 109.17 1qat n MET 495 Ca 0.01 0.06 -0.43 0.00 -1.81 0.00 0.00 57.70 55.53 1qat n MET 495 Cb 0.10 -1.64 -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 -3.14 4.40 -0.13 2.02 -1.09 -0.75 -4.31 121.20 118.20 1qat s ILE 496 Ca 0.07 0.02 -0.09 0.00 -2.23 0.00 0.00 60.65 58.42 1qat s ILE 496 Cb 0.14 -4.57 -0.06 0.00 -1.58 0.00 0.00 42.46 36.40 1qat s ILE 496 CO 0.72 -1.20 -0.21 -0.38 -1.23 0.00 0.00 174.94 172.64 1qat n ILE 497 N 6.07 1.09 0.47 2.92 5.41 -1.26 -4.83 119.36 129.22 1qat n ILE 497 Ca -0.01 -0.05 0.05 0.00 1.00 0.00 0.00 62.75 63.74 1qat n ILE 497 Cb 0.47 -1.84 0.01 0.00 -0.71 0.00 0.00 39.64 37.56 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 -3.86 0.00 -2.89 1.39 4.01 -1.26 -4.72 117.16 109.83 1qat n TYR 498 Ca -0.24 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.29 1qat n TYR 498 Cb 0.58 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.59 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 3.81 0.04 0.00 2.20 0.46 -2.43 119.74 120.70 1qat s LYS 500 Ca 0.43 1.44 -0.30 0.00 -0.36 0.00 0.00 55.97 57.18 1qat s LYS 500 Cb 0.35 -3.98 -0.08 0.00 -1.51 0.00 0.00 37.83 32.61 1qat s LYS 500 CO -0.10 -1.27 1.80 0.45 -0.36 0.00 0.00 175.35 175.87 1qat s SER 501 N 3.72 6.53 0.16 1.43 0.15 0.15 -0.84 113.70 125.00 1qat s SER 501 Ca 0.65 2.55 0.03 0.00 0.70 0.00 0.00 55.95 59.88 1qat s SER 501 Cb -0.21 -2.55 -0.05 0.00 -1.71 0.00 0.00 66.02 61.51 1qat s SER 501 CO 0.27 -0.98 -0.06 0.68 1.20 0.00 0.00 173.24 174.36 1qat s VAL 502 N 3.62 0.98 0.07 4.45 -7.23 -1.16 -4.53 120.40 116.61 1qat s VAL 502 Ca 0.80 -2.02 -0.14 0.00 -1.81 0.00 0.00 61.98 58.81 1qat s VAL 502 Cb -0.40 -1.96 -0.06 0.00 0.56 0.00 0.00 36.38 34.51 1qat s VAL 502 CO 0.36 -0.64 0.47 -1.00 -0.31 0.00 0.00 175.10 173.98 1qat s HIS 503 N -3.45 3.68 -0.14 2.82 3.76 -1.26 -4.25 115.29 116.46 1qat s HIS 503 Ca 0.19 1.02 -0.29 0.00 -0.15 0.00 0.00 55.06 55.83 1qat s HIS 503 Cb 0.04 -2.32 -0.04 0.00 1.11 0.00 0.00 32.58 31.37 1qat s HIS 503 CO 0.02 0.55 1.72 0.12 -0.85 0.00 0.00 174.74 176.31 1qat s PHE 504 N -1.25 1.89 -1.09 1.40 5.36 -1.26 -4.88 117.98 118.14 1qat s PHE 504 Ca 0.30 0.32 0.15 0.00 -0.96 0.00 0.00 56.93 56.74 1qat s PHE 504 Cb -0.16 -3.98 0.47 0.00 -0.34 0.00 0.00 43.02 39.01 1qat s PHE 504 CO 0.17 -3.63 1.39 0.41 -1.46 0.00 0.00 175.22 172.10 1qat n GLY 505 N 4.57 2.86 0.00 13.12 0.00 -1.26 -5.08 105.19 119.40 1qat n GLY 505 Ca 0.19 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 0.73 2.54 3.64 -0.02 0.00 -1.26 -5.07 105.19 105.74 1qat n GLY 506 Ca 0.18 -1.96 -0.26 0.00 0.00 0.00 0.00 46.02 43.98 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 0.64 -3.69 0.00 1.61 3.72 -1.26 -4.82 117.46 113.67 1qat n PHE 507 Ca 0.00 -1.27 0.00 0.00 -0.05 0.00 0.00 57.45 56.13 1qat n PHE 507 Cb 0.00 -0.88 0.00 0.00 -0.94 0.00 0.00 39.48 37.66 1qat n PHE 507 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1qat n SER 508 N -3.54 0.00 -0.25 4.37 3.41 -1.26 -5.03 113.62 111.33 1qat n SER 508 Ca 0.16 0.00 0.03 0.00 -0.26 0.00 0.00 58.87 58.80 1qat n SER 508 Cb 0.55 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.48 1qat n SER 508 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1qat n SER 509 N -0.11 -1.40 0.28 4.04 7.64 -1.26 -4.41 113.62 118.40 1qat n SER 509 Ca 0.00 0.22 0.18 0.00 1.01 0.00 0.00 58.87 60.28 1qat n SER 509 Cb 0.00 -0.83 0.89 0.00 -1.01 0.00 0.00 64.21 63.26 1qat n SER 509 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 1qat h PRO 510 N -0.24 0.00 -6.24 1.43 0.11 -1.98 -3.41 132.00 121.67 1qat h PRO 510 Ca -0.03 0.00 -0.58 0.00 0.11 0.00 0.00 66.00 65.51 1qat h PRO 510 Cb 0.23 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.32 1qat h PRO 510 CO 0.01 0.00 1.28 0.20 -0.21 0.00 0.00 178.00 179.28 1qat s GLY 511 N -3.91 0.86 0.08 -0.55 0.00 -1.26 -4.50 107.32 98.04 1qat s GLY 511 Ca -0.04 0.42 0.00 0.00 0.00 0.00 0.00 44.72 45.10 1qat s GLY 511 CO 0.40 3.30 0.00 -0.37 0.00 0.00 0.00 173.10 176.43 1qat n THR 512 N 7.21 -7.45 0.00 0.90 5.66 -1.26 -4.94 114.28 114.40 1qat n THR 512 Ca 0.23 1.85 0.00 0.00 -3.05 0.00 0.00 64.05 63.08 1qat n THR 512 Cb 0.46 -3.52 0.00 0.00 -1.55 0.00 0.00 70.33 65.72 1qat n THR 512 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1qat n SER 513 N 1.82 0.00 0.00 1.09 2.88 -1.26 -4.89 113.62 113.25 1qat n SER 513 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1qat n SER 513 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1qat n SER 513 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1qat n GLY 514 N 0.00 2.24 3.65 0.46 0.00 -1.26 -4.99 105.19 105.29 1qat n GLY 514 Ca 0.00 -0.49 -0.37 0.00 0.00 0.00 0.00 46.02 45.16 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 0.86 -3.82 1.61 7.27 -1.26 -5.01 117.38 117.03 1qat n GLN 515 Ca 0.00 0.34 -0.20 0.00 0.07 0.00 0.00 57.00 57.21 1qat n GLN 515 Cb 0.00 -2.28 -0.02 0.00 2.41 0.00 0.00 30.24 30.35 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 -1.55 3.99 0.60 1.69 0.00 -1.26 -5.00 121.76 120.23 1qat s ALA 516 Ca 0.78 -1.34 0.35 0.00 0.00 0.00 0.00 51.96 51.74 1qat s ALA 516 Cb -0.39 -1.64 2.00 0.00 0.00 0.00 0.00 23.12 23.09 1qat s ALA 516 CO 0.45 0.15 2.28 0.27 0.00 0.00 0.00 175.76 178.91 1qat h PHE 517 N 1.12 0.00 -0.01 0.00 -0.00 -1.89 -0.64 116.94 115.53 1qat h PHE 517 Ca -0.49 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.48 1qat h PHE 517 Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.19 1qat h PHE 517 CO 0.46 0.01 -0.33 2.48 -0.00 0.00 0.00 178.31 180.92 1qat n TYR 518 N -3.57 0.00 -3.76 6.09 4.11 -1.26 -4.61 117.16 114.15 1qat n TYR 518 Ca -0.03 0.00 -0.31 0.00 -0.00 0.00 0.00 57.90 57.56 1qat n TYR 518 Cb 0.09 -0.13 -0.04 0.00 -0.00 0.00 0.00 39.34 39.26 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 -2.59 3.55 -0.15 -3.48 2.02 -0.25 -0.40 118.70 117.40 1qat s GLU 519 Ca 0.21 -0.22 -0.03 0.00 0.02 0.00 0.00 54.97 54.95 1qat s GLU 519 Cb 0.19 -2.92 0.05 0.00 0.10 0.00 0.00 34.13 31.55 1qat s GLU 519 CO 0.56 0.52 0.06 1.41 0.02 0.00 0.00 175.26 177.83 1qat s MET 520 N -2.63 0.29 0.66 1.61 1.75 -0.02 -4.41 119.30 116.55 1qat s MET 520 Ca 0.39 -0.09 -0.10 0.00 -1.25 0.00 0.00 55.69 54.63 1qat s MET 520 Cb -0.12 -1.62 0.00 0.00 2.84 0.00 0.00 34.83 35.93 1qat s MET 520 CO 0.26 -0.57 1.04 0.00 -0.65 0.00 0.00 175.02 175.10 1qat s ALA 521 N 2.04 3.02 0.03 4.11 0.00 -1.26 -2.96 121.76 126.74 1qat s ALA 521 Ca 0.02 -0.36 0.03 0.00 0.00 0.00 0.00 51.96 51.66 1qat s ALA 521 Cb -0.15 -2.95 -0.02 0.00 0.00 0.00 0.00 23.12 19.99 1qat s ALA 521 CO -0.07 -0.97 -0.10 -1.12 0.00 0.00 0.00 175.76 173.50 1qat s SER 522 N -4.31 1.14 0.01 0.00 0.01 -1.26 -2.34 113.70 106.95 1qat s SER 522 Ca 0.56 -0.44 0.01 0.00 1.31 0.00 0.00 55.95 57.40 1qat s SER 522 Cb -0.11 -0.04 -0.01 0.00 0.21 0.00 0.00 66.02 66.08 1qat s SER 522 CO 0.51 -0.06 -0.03 -0.36 0.41 0.00 0.00 173.24 173.70 1qat s PHE 523 N -0.96 0.29 0.59 2.43 0.08 0.56 -4.84 117.98 116.13 1qat s PHE 523 Ca -0.03 -0.16 -0.15 0.00 0.12 0.00 0.00 56.93 56.72 1qat s PHE 523 Cb -0.08 -0.18 -0.04 0.00 -0.57 0.00 0.00 43.02 42.15 1qat s PHE 523 CO 0.01 -0.04 1.04 -1.54 -0.10 0.00 0.00 175.22 174.59 1qat s SER 524 N -0.41 5.97 0.45 1.36 1.04 -1.26 -0.48 113.70 120.37 1qat s SER 524 Ca -0.02 1.68 0.17 0.00 0.48 0.00 0.00 55.95 58.26 1qat s SER 524 Cb -0.03 -2.51 1.11 0.00 0.10 0.00 0.00 66.02 64.69 1qat s SER 524 CO -0.00 -1.04 1.94 1.05 0.98 0.00 0.00 173.24 176.17 1qat h GLU 525 N 0.28 0.33 0.05 4.02 4.11 -1.51 -1.50 114.58 120.36 1qat h GLU 525 Ca -0.46 -0.02 -0.00 0.00 0.07 0.00 0.00 59.36 58.95 1qat h GLU 525 Cb 1.21 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1qat h GLU 525 CO 0.59 0.22 -0.03 0.66 0.07 0.00 0.00 179.01 180.52 1qat h SER 526 N 0.34 -0.06 -0.40 3.06 4.64 -1.91 -2.32 113.55 116.90 1qat h SER 526 Ca 0.33 -0.23 -0.04 0.00 -0.47 0.00 0.00 61.79 61.38 1qat h SER 526 Cb 0.83 0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.92 1qat h SER 526 CO -0.09 0.20 0.11 -0.09 -0.87 0.00 0.00 176.83 176.09 1qat h ARG 527 N -0.32 0.64 -0.96 4.77 2.43 -1.75 -1.90 114.38 117.28 1qat h ARG 527 Ca -0.01 -0.15 0.06 0.00 -0.81 0.00 0.00 59.98 59.07 1qat h ARG 527 Cb 0.29 -0.09 -0.06 0.00 -0.42 0.00 0.00 29.97 29.69 1qat h ARG 527 CO 0.01 0.65 0.61 0.00 -1.51 0.00 0.00 179.97 179.73 1qat h ALA 528 N 0.96 1.31 0.00 2.80 0.00 -1.31 0.37 119.26 123.39 1qat h ALA 528 Ca 0.13 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 1qat h ALA 528 Cb 0.29 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1qat h ALA 528 CO -0.00 0.41 -0.28 -0.07 0.00 0.00 0.00 179.25 179.31 1qat h LEU 529 N 1.13 0.00 -0.02 0.00 3.38 -1.07 -1.60 115.31 117.13 1qat h LEU 529 Ca 0.41 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.27 1qat h LEU 529 Cb 0.14 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.89 1qat h LEU 529 CO -0.16 0.28 -0.40 -0.09 0.09 0.00 0.00 178.44 178.16 1qat h ARG 530 N 0.00 0.30 0.00 1.13 2.43 -0.21 -3.11 114.38 114.93 1qat h ARG 530 Ca -0.00 -0.30 -0.10 0.00 -0.81 0.00 0.00 59.98 58.76 1qat h ARG 530 Cb 0.65 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.26 1qat h ARG 530 CO 0.04 0.99 -0.49 -0.07 -1.51 0.00 0.00 179.97 178.92 1qat h LEU 531 N -0.26 0.00 -0.98 3.80 3.38 -0.87 -0.75 115.31 119.64 1qat h LEU 531 Ca -0.04 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 1qat h LEU 531 Cb 1.11 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 1qat h LEU 531 CO 0.08 0.49 -0.22 -0.07 0.09 0.00 0.00 178.44 178.81 1qat h LEU 532 N 0.00 0.00 0.16 1.67 3.38 -1.37 0.18 115.31 119.32 1qat h LEU 532 Ca -0.00 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.65 1qat h LEU 532 Cb 0.88 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.64 1qat h LEU 532 CO 0.06 0.22 -1.59 -0.61 0.09 0.00 0.00 178.44 176.61 1qat h GLN 533 N 0.00 0.33 0.19 1.13 5.75 -1.36 -2.98 115.11 118.18 1qat h GLN 533 Ca -0.00 -0.57 -0.31 0.00 -0.15 0.00 0.00 58.65 57.62 1qat h GLN 533 Cb 0.80 0.21 0.02 0.00 1.07 0.00 0.00 27.48 29.58 1qat h GLN 533 CO 0.03 1.27 -1.47 0.93 -2.65 0.00 0.00 178.83 176.94 1qat h GLU 534 N -0.07 0.41 0.00 1.69 5.08 -1.12 -3.41 114.58 117.15 1qat h GLU 534 Ca -0.32 -0.69 -0.36 0.00 -1.00 0.00 0.00 59.36 56.98 1qat h GLU 534 Cb 1.95 0.26 -0.07 0.00 0.50 0.00 0.00 28.75 31.39 1qat h GLU 534 CO 0.13 1.33 -2.29 0.43 -1.00 0.00 0.00 179.01 177.61 1qat n SER 535 N -3.77 0.29 0.00 1.42 7.64 0.60 -5.04 113.62 114.76 1qat n SER 535 Ca -0.21 0.05 0.00 0.00 1.01 0.00 0.00 58.87 59.73 1qat n SER 535 Cb 1.02 0.72 0.00 0.00 -1.01 0.00 0.00 64.21 64.94 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 1.76 3.17 0.00 0.23 0.00 -1.11 -0.62 105.19 108.62 1qat n GLY 536 Ca -0.32 0.27 0.05 0.00 0.00 0.00 0.00 46.02 46.03 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 7.90 0.00 -0.12 1.61 6.94 -1.22 -0.81 115.26 129.56 1qat n ASN 537 Ca 0.00 0.17 -0.10 0.00 -0.02 0.00 0.00 54.58 54.63 1qat n ASN 537 Cb 0.00 -0.31 0.03 0.00 -2.36 0.00 0.00 39.78 37.14 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 1.84 0.97 1.13 4.83 0.00 -1.19 -1.10 103.07 109.56 1qat h GLY 538 Ca 0.00 -0.87 -0.25 0.00 0.00 0.00 0.00 47.33 46.20 1qat h GLY 538 CO 0.00 0.79 -1.01 -2.75 0.00 0.00 0.00 176.54 173.57 1qat h PHE 539 N 0.77 0.97 0.47 5.60 3.04 -1.13 -2.48 116.94 124.18 1qat h PHE 539 Ca 0.10 -0.54 -0.02 0.00 3.98 0.00 0.00 57.97 61.48 1qat h PHE 539 Cb 0.80 -0.10 -0.00 0.00 2.56 0.00 0.00 35.95 39.21 1qat h PHE 539 CO 0.05 1.38 -0.27 0.28 -2.02 0.00 0.00 178.31 177.73 1qat h VAL 540 N 0.28 0.45 -0.65 1.41 2.07 -1.39 -0.58 116.25 117.84 1qat h VAL 540 Ca -0.13 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.51 1qat h VAL 540 Cb 1.68 0.45 -0.09 0.00 -1.52 0.00 0.00 31.29 31.81 1qat h VAL 540 CO 0.20 0.00 0.14 0.03 0.02 0.00 0.00 177.57 177.95 1qat h ARG 541 N -0.69 0.25 -1.00 1.57 3.08 -1.29 -0.57 114.38 115.72 1qat h ARG 541 Ca -0.06 -0.02 0.15 0.00 0.07 0.00 0.00 59.98 60.13 1qat h ARG 541 Cb 0.55 -0.06 -0.09 0.00 0.08 0.00 0.00 29.97 30.45 1qat h ARG 541 CO 0.07 0.17 0.62 1.25 -1.07 0.00 0.00 179.97 181.01 1qat h HIS 542 N 0.26 1.11 0.00 3.04 2.76 -0.88 -0.39 115.15 121.05 1qat h HIS 542 Ca 0.35 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.55 1qat h HIS 542 Cb 0.54 -0.35 0.00 0.00 1.55 0.00 0.00 27.41 29.16 1qat h HIS 542 CO -0.26 0.36 -0.14 0.09 -1.30 0.00 0.00 177.93 176.69 1qat n ASN 543 N -4.68 0.29 -0.11 3.26 3.02 -0.28 -2.37 115.26 114.39 1qat n ASN 543 Ca 0.21 0.35 -0.09 0.00 -0.03 0.00 0.00 54.58 55.01 1qat n ASN 543 Cb 0.45 -0.37 -0.01 0.00 -0.61 0.00 0.00 39.78 39.23 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 1.17 0.04 2.41 2.07 -0.40 -3.35 116.25 118.18 1qat h VAL 544 Ca 0.00 -0.48 -0.25 0.00 0.82 0.00 0.00 66.70 66.79 1qat h VAL 544 Cb 0.56 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 1qat h VAL 544 CO 0.00 0.18 -1.35 0.77 0.02 0.00 0.00 177.57 177.19 1qat h SER 545 N 0.43 0.12 -2.67 0.57 4.64 -1.62 -3.39 113.55 111.64 1qat h SER 545 Ca 0.12 -0.66 -0.57 0.00 -0.47 0.00 0.00 61.79 60.21 1qat h SER 545 Cb 0.13 -0.04 -0.08 0.00 -0.31 0.00 0.00 62.40 62.10 1qat h SER 545 CO -0.01 1.55 -0.59 0.00 -0.87 0.00 0.00 176.83 176.91 1qat s LEU 547 N -3.17 4.31 -0.11 0.00 1.43 -1.26 -4.22 118.68 115.65 1qat s LEU 547 Ca 0.30 1.75 0.01 0.00 -1.03 0.00 0.00 54.13 55.16 1qat s LEU 547 Cb -0.09 -3.98 0.02 0.00 0.03 0.00 0.00 46.19 42.17 1qat s LEU 547 CO 0.22 -0.07 -0.12 -0.44 0.23 0.00 0.00 176.35 176.17 1qat s SER 548 N -1.67 2.24 -0.22 2.29 0.01 -1.26 -4.12 113.70 110.98 1qat s SER 548 Ca 0.50 -0.37 -0.08 0.00 1.31 0.00 0.00 55.95 57.31 1qat s SER 548 Cb -0.17 -0.96 -0.04 0.00 0.21 0.00 0.00 66.02 65.05 1qat s SER 548 CO 0.22 -0.04 0.09 -0.60 0.41 0.00 0.00 173.24 173.32 1qat s ARG 549 N 1.23 3.88 0.22 12.44 3.52 -0.99 -0.74 118.95 138.51 1qat s ARG 549 Ca -0.03 -0.38 0.07 0.00 -0.13 0.00 0.00 55.73 55.26 1qat s ARG 549 Cb -0.14 -3.32 -0.04 0.00 -1.56 0.00 0.00 34.95 29.89 1qat s ARG 549 CO -0.04 0.06 0.15 0.42 -0.81 0.00 0.00 175.30 175.09 1qat s ILE 550 N 0.96 4.34 -0.04 4.11 -1.09 0.27 -0.32 121.20 129.44 1qat s ILE 550 Ca 0.05 -1.34 -0.22 0.00 -2.23 0.00 0.00 60.65 56.90 1qat s ILE 550 Cb -0.14 -3.30 0.05 0.00 -1.58 0.00 0.00 42.46 37.49 1qat s ILE 550 CO 0.03 -0.26 0.49 -0.72 -1.23 0.00 0.00 174.94 173.25 1qat s TYR 551 N -2.01 -0.42 0.51 3.97 -0.85 0.37 -1.82 117.35 117.10 1qat s TYR 551 Ca 0.32 0.72 -0.19 0.00 -0.52 0.00 0.00 57.07 57.39 1qat s TYR 551 Cb -0.08 0.25 -0.11 0.00 0.38 0.00 0.00 41.96 42.39 1qat s TYR 551 CO 0.24 -0.49 0.40 -2.30 -1.52 0.00 0.00 175.55 171.88 1qat n PRO 552 N 1.18 0.43 -0.74 -3.49 -0.02 -1.24 -1.51 135.00 129.61 1qat n PRO 552 Ca -0.20 0.16 -0.29 0.00 -2.02 0.00 0.00 63.50 61.16 1qat n PRO 552 Cb 0.56 -1.50 0.22 0.00 -0.02 0.00 0.00 33.50 32.77 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 -1.70 0.05 -0.33 3.55 0.00 -1.26 -4.58 121.76 117.50 1qat s ALA 553 Ca 0.65 -0.15 0.21 0.00 0.00 0.00 0.00 51.96 52.67 1qat s ALA 553 Cb -0.51 -3.22 0.19 0.00 0.00 0.00 0.00 23.12 19.58 1qat s ALA 553 CO 0.58 -3.49 1.40 0.78 0.00 0.00 0.00 175.76 175.03 1qat h GLY 554 N -2.37 0.00 1.01 0.00 0.00 -2.02 -3.27 103.07 96.42 1qat h GLY 554 Ca -0.58 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.75 1qat h GLY 554 CO 0.52 0.00 0.00 -2.67 0.00 0.00 0.00 176.54 174.39 1qat n TRP 555 N -3.00 0.00 -2.04 5.60 4.27 -1.26 -4.08 117.44 116.92 1qat n TRP 555 Ca 0.02 0.00 -0.38 0.00 -3.89 0.00 0.00 57.50 53.25 1qat n TRP 555 Cb 0.58 -0.01 -0.01 0.00 -1.36 0.00 0.00 31.31 30.52 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 -1.01 4.30 0.29 -2.67 1.74 -1.23 -4.68 116.66 113.40 1qat n ARG 556 Ca 0.17 -3.53 0.16 0.00 -0.77 0.00 0.00 57.85 53.87 1qat n ARG 556 Cb 0.08 -2.49 0.87 0.00 -1.02 0.00 0.00 32.46 29.90 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 2.37 0.41 0.00 0.55 1.35 -1.90 -0.22 112.91 115.47 1qat h THR 557 Ca 0.61 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 66.17 1qat h THR 557 Cb 0.36 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 67.99 1qat h THR 557 CO 1.31 0.06 0.00 -0.90 -0.25 0.00 0.00 175.52 175.73 1qat n ASP 558 N -3.55 0.00 -1.69 5.36 5.75 -1.26 -0.62 116.55 120.55 1qat n ASP 558 Ca -0.02 -0.96 -0.16 0.00 -0.01 0.00 0.00 54.79 53.64 1qat n ASP 558 Cb 0.17 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.24 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 -0.87 -4.83 -4.80 -1.12 7.64 -0.09 -4.76 113.62 104.79 1qat n SER 559 Ca 0.13 0.08 -0.32 0.00 1.01 0.00 0.00 58.87 59.78 1qat n SER 559 Cb 0.06 -3.89 0.05 0.00 -1.01 0.00 0.00 64.21 59.42 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 -2.41 5.24 0.41 6.43 1.04 -1.25 -4.70 113.70 118.45 1qat s SER 560 Ca 0.00 1.75 0.07 0.00 0.48 0.00 0.00 55.95 58.25 1qat s SER 560 Cb 0.00 -2.52 -0.04 0.00 0.10 0.00 0.00 66.02 63.56 1qat s SER 560 CO 0.00 -1.54 0.23 0.20 0.98 0.00 0.00 173.24 173.11 1qat s ASN 561 N -3.35 4.60 0.20 7.02 0.01 -1.26 -4.81 114.94 117.35 1qat s ASN 561 Ca 0.61 -0.97 0.08 0.00 -0.71 0.00 0.00 52.86 51.87 1qat s ASN 561 Cb -0.16 -0.53 -0.04 0.00 0.41 0.00 0.00 41.25 40.94 1qat s ASN 561 CO 0.50 -0.55 -0.02 -0.72 -1.51 0.00 0.00 177.10 174.80 1qat s TYR 562 N -2.55 2.76 0.07 2.20 1.13 -1.26 -4.99 117.35 114.71 1qat s TYR 562 Ca 0.42 -0.18 -0.31 0.00 -1.41 0.00 0.00 57.07 55.60 1qat s TYR 562 Cb 0.02 -1.31 -0.08 0.00 -1.10 0.00 0.00 41.96 39.49 1qat s TYR 562 CO 0.24 0.54 1.58 0.45 -2.51 0.00 0.00 175.55 175.85 1qat s SER 563 N -3.12 6.66 0.28 -0.18 0.15 -1.26 -4.84 113.70 111.38 1qat s SER 563 Ca 0.28 2.43 0.17 0.00 0.70 0.00 0.00 55.95 59.53 1qat s SER 563 Cb -0.08 -2.57 0.09 0.00 -1.71 0.00 0.00 66.02 61.74 1qat s SER 563 CO 0.18 -0.84 1.38 1.55 1.20 0.00 0.00 173.24 176.71 1qat h PRO 564 N 7.94 0.00 -0.59 5.44 0.13 -1.98 -3.39 132.00 139.56 1qat h PRO 564 Ca -0.42 0.00 0.11 0.00 -0.87 0.00 0.00 66.00 64.83 1qat h PRO 564 Cb 1.20 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.21 1qat h PRO 564 CO 0.92 0.36 -0.22 0.28 -0.23 0.00 0.00 178.00 179.10 1qat h VAL 565 N 0.00 0.30 -0.06 1.56 2.07 -1.96 0.86 116.25 119.02 1qat h VAL 565 Ca -0.02 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.51 1qat h VAL 565 Cb 1.32 0.30 -0.00 0.00 -1.52 0.00 0.00 31.29 31.39 1qat h VAL 565 CO 0.05 0.00 0.08 -0.08 0.02 0.00 0.00 177.57 177.63 1qat h GLU 566 N -0.08 0.00 0.07 1.57 4.57 -1.88 0.14 114.58 118.97 1qat h GLU 566 Ca 0.27 0.00 -0.09 0.00 -1.18 0.00 0.00 59.36 58.36 1qat h GLU 566 Cb 0.50 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.10 1qat h GLU 566 CO -0.64 0.00 -0.41 0.52 -1.18 0.00 0.00 179.01 177.30 1qat h MET 567 N 0.00 0.15 -0.73 1.92 2.86 -1.13 -3.26 114.93 114.75 1qat h MET 567 Ca 0.03 -0.26 0.04 0.00 -2.06 0.00 0.00 59.70 57.45 1qat h MET 567 Cb 0.18 0.10 -0.05 0.00 0.06 0.00 0.00 31.60 31.89 1qat h MET 567 CO -0.00 1.12 0.45 -1.49 1.06 0.00 0.00 176.91 178.04 1qat h TRP 568 N -0.67 0.84 -0.06 -0.22 6.55 -0.08 -1.44 115.95 120.87 1qat h TRP 568 Ca -0.07 0.02 0.02 0.00 0.95 0.00 0.00 58.89 59.81 1qat h TRP 568 Cb 1.31 -0.27 -0.00 0.00 -0.86 0.00 0.00 29.16 29.34 1qat h TRP 568 CO 0.24 0.46 0.15 -0.91 -1.05 0.00 0.00 178.44 177.32 1qat h ASN 569 N 0.86 0.00 -0.62 -3.49 4.21 -0.87 0.22 115.58 115.89 1qat h ASN 569 Ca 0.30 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.81 1qat h ASN 569 Cb 0.08 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.28 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 -1.24 2.89 3.03 2.83 0.00 -0.58 -4.58 105.19 107.53 1qat n GLY 570 Ca -0.01 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.11 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 0.87 2.64 3.68 -0.02 0.00 0.76 -3.91 105.19 109.21 1qat n GLY 571 Ca 0.27 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.84 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 6.36 0.71 -3.10 0.00 0.00 -1.18 -4.24 117.38 115.93 1qat n GLN 573 Ca 0.20 0.21 -0.40 0.00 0.00 0.00 0.00 57.00 57.01 1qat n GLN 573 Cb 0.35 -1.64 -0.01 0.00 0.00 0.00 0.00 30.24 28.94 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 -3.33 4.74 -2.71 -0.39 5.41 0.08 -1.56 119.36 121.60 1qat n ILE 574 Ca -0.36 -5.78 -0.42 0.00 1.00 0.00 0.00 62.75 57.19 1qat n ILE 574 Cb 1.03 -2.09 -0.03 0.00 -0.71 0.00 0.00 39.64 37.84 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 -2.69 4.17 -0.12 1.39 1.01 -1.26 -0.56 120.40 122.34 1qat s VAL 575 Ca 0.33 -0.73 -0.29 0.00 0.00 0.00 0.00 61.98 61.29 1qat s VAL 575 Cb 0.06 -4.90 -0.04 0.00 0.00 0.00 0.00 36.38 31.51 1qat s VAL 575 CO 0.08 -1.73 1.51 0.00 0.00 0.00 0.00 175.10 174.96 1qat s ALA 576 N 4.33 3.59 0.18 5.51 0.00 -0.75 -4.38 121.76 130.24 1qat s ALA 576 Ca 0.37 0.70 0.11 0.00 0.00 0.00 0.00 51.96 53.14 1qat s ALA 576 Cb -0.05 -3.72 -0.04 0.00 0.00 0.00 0.00 23.12 19.31 1qat s ALA 576 CO -0.02 -1.40 -0.23 -0.51 0.00 0.00 0.00 175.76 173.60 1qat s LEU 577 N 4.01 2.43 -1.07 0.00 1.43 -0.85 -3.73 118.68 120.90 1qat s LEU 577 Ca 0.67 -0.86 -0.22 0.00 -1.03 0.00 0.00 54.13 52.69 1qat s LEU 577 Cb -0.28 -1.10 0.03 0.00 0.03 0.00 0.00 46.19 44.87 1qat s LEU 577 CO 0.24 0.09 1.64 0.20 0.23 0.00 0.00 176.35 178.75 1qat s ASN 578 N -2.63 6.23 0.62 2.29 0.01 -1.26 -1.73 114.94 118.47 1qat s ASN 578 Ca 0.19 -1.55 0.28 0.00 -0.71 0.00 0.00 52.86 51.08 1qat s ASN 578 Cb -0.08 -2.57 1.49 0.00 0.41 0.00 0.00 41.25 40.50 1qat s ASN 578 CO 0.09 -1.77 1.88 -0.26 -1.51 0.00 0.00 177.10 175.53 1qat h PHE 579 N 9.57 0.00 0.00 2.20 -1.00 -1.90 0.22 116.94 126.03 1qat h PHE 579 Ca 0.24 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.02 1qat h PHE 579 Cb 0.97 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.53 1qat h PHE 579 CO 1.30 0.00 0.00 0.00 -1.61 0.00 0.00 178.31 178.00 1qat n GLN 580 N -3.33 0.82 -4.01 1.51 0.00 -1.26 -4.69 117.38 106.42 1qat n GLN 580 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 57.00 56.70 1qat n GLN 580 Cb 0.56 -1.44 -0.15 0.00 0.00 0.00 0.00 30.24 29.21 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 2.56 0.50 -0.39 2.01 0.06 -4.88 115.64 113.50 1qat s THR 581 Ca 0.35 -1.31 -0.21 0.00 0.31 0.00 0.00 61.69 60.83 1qat s THR 581 Cb 0.16 -2.38 -0.07 0.00 0.01 0.00 0.00 72.50 70.22 1qat s THR 581 CO 0.27 0.09 1.13 -2.84 -0.69 0.00 0.00 174.62 172.58 1qat s PRO 582 N 1.23 3.59 0.00 4.92 0.02 -1.26 -4.61 135.00 138.88 1qat s PRO 582 Ca -0.04 1.65 0.00 0.00 0.02 0.00 0.00 61.00 62.64 1qat s PRO 582 Cb -0.18 -2.20 0.00 0.00 0.02 0.00 0.00 34.50 32.14 1qat s PRO 582 CO -0.05 -0.66 0.00 0.41 -0.33 0.00 0.00 177.00 176.37 1qat n GLY 583 N 0.25 3.03 0.43 0.52 0.00 -1.26 -4.93 105.19 103.23 1qat n GLY 583 Ca 0.09 -0.93 0.27 0.00 0.00 0.00 0.00 46.02 45.46 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 0.28 0.09 1.61 0.11 -1.98 -0.67 132.00 131.44 1qat h PRO 584 Ca 0.00 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.09 1qat h PRO 584 Cb 0.00 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.05 1qat h PRO 584 CO 0.00 0.19 -0.04 0.93 -0.21 0.00 0.00 178.00 178.87 1qat h GLU 585 N 0.29 -0.11 0.00 1.05 3.07 -1.93 0.47 114.58 117.42 1qat h GLU 585 Ca 0.64 0.01 -0.03 0.00 -0.50 0.00 0.00 59.36 59.48 1qat h GLU 585 Cb 1.80 0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 29.74 1qat h GLU 585 CO -0.30 0.04 -0.16 0.52 -1.40 0.00 0.00 179.01 177.70 1qat h MET 586 N -0.24 0.00 0.43 2.33 2.86 -1.46 -0.77 114.93 118.08 1qat h MET 586 Ca -0.01 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.61 1qat h MET 586 Cb 0.20 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.86 1qat h MET 586 CO 0.02 0.16 -0.21 -0.44 1.06 0.00 0.00 176.91 177.50 1qat h ASP 587 N 0.00 -0.49 0.29 1.22 3.32 -0.69 -0.33 116.42 119.73 1qat h ASP 587 Ca -0.00 -0.08 -0.02 0.00 0.02 0.00 0.00 57.03 56.95 1qat h ASP 587 Cb 0.68 0.13 -0.00 0.00 0.22 0.00 0.00 39.33 40.35 1qat h ASP 587 CO 0.02 -0.20 -0.10 0.58 -1.72 0.00 0.00 179.24 177.82 1qat h VAL 588 N -0.79 0.60 0.39 -1.35 2.07 -0.81 -1.36 116.25 115.00 1qat h VAL 588 Ca -0.06 -0.44 -0.02 0.00 0.82 0.00 0.00 66.70 67.00 1qat h VAL 588 Cb 0.54 1.28 0.00 0.00 -1.52 0.00 0.00 31.29 31.60 1qat h VAL 588 CO 0.10 0.10 -0.19 0.22 0.02 0.00 0.00 177.57 177.82 1qat h TYR 589 N 0.00 -0.49 -0.23 1.57 5.03 -0.48 -2.12 116.97 120.25 1qat h TYR 589 Ca -0.00 -0.01 -0.05 0.00 2.58 0.00 0.00 58.73 61.25 1qat h TYR 589 Cb 0.27 0.16 -0.01 0.00 1.55 0.00 0.00 36.73 38.70 1qat h TYR 589 CO 0.00 -0.30 -0.08 -0.07 -1.32 0.00 0.00 178.16 176.38 1qat h LEU 590 N -0.78 0.35 -0.37 2.82 3.38 -1.05 -1.90 115.31 117.75 1qat h LEU 590 Ca -0.05 -0.07 0.03 0.00 0.09 0.00 0.00 57.88 57.87 1qat h LEU 590 Cb 0.40 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 1qat h LEU 590 CO 0.09 0.47 0.18 1.23 0.09 0.00 0.00 178.44 180.51 1qat h GLY 591 N 0.79 0.51 1.00 0.83 0.00 -1.31 0.66 103.07 105.56 1qat h GLY 591 Ca 0.07 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.27 1qat h GLY 591 CO 0.02 0.09 0.40 0.00 0.00 0.00 0.00 176.54 177.05 1qat n PHE 593 N -4.62 0.00 0.19 0.00 3.72 0.27 -2.79 117.46 114.24 1qat n PHE 593 Ca 0.05 -0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.53 1qat n PHE 593 Cb 0.04 0.00 0.21 0.00 -0.94 0.00 0.00 39.48 38.79 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 0.05 0.00 -7.23 -1.08 1.08 0.50 -3.30 115.11 105.13 1qat h GLN 594 Ca 0.00 0.00 -0.53 0.00 -1.45 0.00 0.00 58.65 56.67 1qat h GLN 594 Cb 0.01 0.00 0.16 0.00 -0.05 0.00 0.00 27.48 27.61 1qat h GLN 594 CO 0.00 0.25 0.32 0.34 -0.95 0.00 0.00 178.83 178.79 1qat s ASP 595 N -6.27 3.83 -1.25 1.46 -1.08 -1.12 -1.43 116.67 110.82 1qat s ASP 595 Ca 0.04 2.21 -0.07 0.00 -0.52 0.00 0.00 52.55 54.21 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 0.68 -2.50 1.08 -3.20 0.52 0.00 0.00 175.17 171.76 1qat n ASN 596 N -3.34 -5.41 -0.05 -0.34 5.15 -1.07 -1.08 115.26 109.12 1qat n ASN 596 Ca 0.12 -0.52 -0.01 0.00 -0.60 0.00 0.00 54.58 53.58 1qat n ASN 596 Cb 0.51 -4.77 -0.00 0.00 -0.53 0.00 0.00 39.78 34.99 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 -1.78 0.24 3.64 8.20 0.00 0.57 -2.47 105.19 113.58 1qat n GLY 597 Ca -0.04 -0.02 -0.24 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 -0.53 -0.51 0.52 -0.02 0.00 -0.24 -4.79 105.19 99.62 1qat n GLY 598 Ca -0.01 0.23 0.05 0.00 0.00 0.00 0.00 46.02 46.29 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 2.78 3.44 0.00 0.00 -1.26 -4.61 105.19 106.50 1qat n GLY 600 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.45 2.72 -0.15 1.61 1.51 -1.26 -1.45 117.35 118.89 1qat s TYR 601 Ca 0.00 -0.32 -0.03 0.00 -1.01 0.00 0.00 57.07 55.71 1qat s TYR 601 Cb 0.00 -1.69 0.05 0.00 -0.11 0.00 0.00 41.96 40.21 1qat s TYR 601 CO 0.00 0.06 0.05 0.08 -1.11 0.00 0.00 175.55 174.63 1qat s VAL 602 N -0.40 0.24 -0.08 0.71 1.01 -1.03 -4.88 120.40 115.96 1qat s VAL 602 Ca 0.04 -0.20 -0.32 0.00 0.00 0.00 0.00 61.98 61.51 1qat s VAL 602 Cb -0.12 -0.70 -0.09 0.00 0.00 0.00 0.00 36.38 35.46 1qat s VAL 602 CO 0.02 -0.10 2.01 -0.11 0.00 0.00 0.00 175.10 176.91 1qat n LEU 603 N 5.17 3.61 -4.73 3.92 7.94 -1.26 -0.86 117.00 130.78 1qat n LEU 603 Ca -0.07 0.76 -0.34 0.00 -1.11 0.00 0.00 56.01 55.25 1qat n LEU 603 Cb 0.49 -1.46 0.08 0.00 0.53 0.00 0.00 43.42 43.06 1qat n LEU 603 CO 0.11 -0.12 0.78 -0.54 -1.11 0.00 0.00 177.39 176.51 1qat s LYS 604 N 4.82 2.30 0.53 1.96 1.02 -0.62 -4.93 119.74 124.82 1qat s LYS 604 Ca 0.94 1.66 -0.21 0.00 0.02 0.00 0.00 55.97 58.38 1qat s LYS 604 Cb -0.54 -1.86 -0.07 0.00 -0.52 0.00 0.00 37.83 34.84 1qat s LYS 604 CO 0.45 -1.69 0.96 -2.30 -0.92 0.00 0.00 175.35 171.85 1qat n PRO 605 N -2.65 1.08 -0.33 -1.68 -0.02 -1.26 -4.77 135.00 125.37 1qat n PRO 605 Ca 0.13 0.40 0.22 0.00 -2.02 0.00 0.00 63.50 62.23 1qat n PRO 605 Cb 0.51 -2.10 0.49 0.00 -0.02 0.00 0.00 33.50 32.37 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 0.91 2.16 0.00 3.55 0.00 -1.98 0.68 119.26 124.59 1qat h ALA 606 Ca -0.47 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1qat h ALA 606 Cb 1.35 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1qat h ALA 606 CO 0.53 -0.58 0.00 0.27 0.00 0.00 0.00 179.25 179.47 1qat h PHE 607 N 0.42 0.00 0.00 0.00 -5.15 -1.97 -1.23 116.94 109.01 1qat h PHE 607 Ca 0.61 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.38 1qat h PHE 607 Cb 1.47 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.64 1qat h PHE 607 CO -0.00 0.00 -1.07 1.28 -2.00 0.00 0.00 178.31 176.51 1qat n LEU 608 N -2.39 0.62 -1.58 2.10 4.77 0.23 -3.87 117.00 116.88 1qat n LEU 608 Ca 0.00 -0.10 0.10 0.00 -0.03 0.00 0.00 56.01 55.99 1qat n LEU 608 Cb 0.16 -0.08 0.36 0.00 -2.33 0.00 0.00 43.42 41.52 1qat n LEU 608 CO 0.17 0.08 0.82 0.54 -1.33 0.00 0.00 177.39 177.67 1qat n ARG 609 N -1.88 3.57 -3.36 3.23 1.74 -0.48 -4.42 116.66 115.06 1qat n ARG 609 Ca 0.02 -2.87 -0.44 0.00 -0.77 0.00 0.00 57.85 53.78 1qat n ARG 609 Cb 0.42 -1.84 -0.08 0.00 -1.02 0.00 0.00 32.46 29.94 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 -0.92 6.16 0.52 0.55 -1.08 -1.13 -4.93 116.67 115.84 1qat s ASP 610 Ca 0.52 -1.24 0.29 0.00 -0.52 0.00 0.00 52.55 51.60 1qat s ASP 610 Cb 0.32 -2.20 1.41 0.00 -1.46 0.00 0.00 42.92 40.99 1qat s ASP 610 CO 0.27 -0.67 1.90 1.55 0.52 0.00 0.00 175.17 178.74 1qat h PRO 611 N 8.78 0.06 -0.53 4.34 0.13 -1.88 0.17 132.00 143.08 1qat h PRO 611 Ca -0.28 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1qat h PRO 611 Cb 1.11 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1qat h PRO 611 CO 0.88 0.04 0.00 0.09 -0.23 0.00 0.00 178.00 178.78 1qat n ASN 612 N -4.32 5.43 -4.78 1.44 3.02 -1.26 -4.73 115.26 110.07 1qat n ASN 612 Ca 0.18 -2.94 -0.35 0.00 -0.03 0.00 0.00 54.58 51.44 1qat n ASN 612 Cb 0.88 -0.66 0.00 0.00 -0.61 0.00 0.00 39.78 39.39 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 -2.77 3.26 -0.25 3.41 -1.32 0.04 -4.96 115.64 113.05 1qat s THR 613 Ca 0.53 0.75 0.16 0.00 -1.21 0.00 0.00 61.69 61.91 1qat s THR 613 Cb 0.40 -3.29 0.43 0.00 -1.51 0.00 0.00 72.50 68.54 1qat s THR 613 CO 0.15 -0.20 1.33 0.35 -2.21 0.00 0.00 174.62 174.04 1qat n THR 614 N -1.42 2.00 -2.33 5.08 -2.24 -1.26 -4.81 114.28 109.29 1qat n THR 614 Ca 0.11 -1.81 -0.40 0.00 -2.27 0.00 0.00 64.05 59.68 1qat n THR 614 Cb 0.51 -0.13 -0.03 0.00 -2.10 0.00 0.00 70.33 68.58 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 -2.53 3.36 -0.28 4.78 5.36 -1.26 -4.85 117.98 122.56 1qat s PHE 615 Ca 0.36 1.59 0.01 0.00 -0.96 0.00 0.00 56.93 57.93 1qat s PHE 615 Cb 0.29 -3.43 0.16 0.00 -0.34 0.00 0.00 43.02 39.69 1qat s PHE 615 CO 0.08 -1.07 0.42 1.21 -1.46 0.00 0.00 175.22 174.41 1qat s ASN 616 N -0.75 0.15 0.56 6.13 3.84 -1.26 -3.44 114.94 120.17 1qat s ASN 616 Ca 0.47 -0.13 0.35 0.00 0.21 0.00 0.00 52.86 53.76 1qat s ASN 616 Cb -0.35 1.21 1.50 0.00 -0.55 0.00 0.00 41.25 43.06 1qat s ASN 616 CO 0.45 -0.33 1.77 -1.28 -2.79 0.00 0.00 177.10 174.92 1qat h SER 617 N 8.15 0.00 0.38 -4.21 0.87 -1.93 -1.24 113.55 115.56 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 0.26 0.00 -0.79 0.54 -0.53 0.00 0.00 176.83 176.31 1qat n ARG 618 N -4.01 0.11 -3.02 2.24 5.12 -1.26 -4.19 116.66 111.64 1qat n ARG 618 Ca 0.23 0.00 -0.15 0.00 -1.93 0.00 0.00 57.85 56.01 1qat n ARG 618 Cb 1.22 -1.54 -0.03 0.00 -1.16 0.00 0.00 32.46 30.95 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 -1.62 0.31 -1.77 7.54 0.00 -0.49 -5.07 120.51 119.42 1qat n ALA 619 Ca 0.04 -2.08 -0.39 0.00 0.00 0.00 0.00 53.44 51.01 1qat n ALA 619 Cb 0.37 -1.14 -0.00 0.00 0.00 0.00 0.00 19.45 18.68 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 0.09 4.15 0.00 0.00 1.43 -1.08 -4.51 118.68 118.77 1qat s LEU 620 Ca 0.32 2.57 0.00 0.00 -1.03 0.00 0.00 54.13 55.99 1qat s LEU 620 Cb 0.07 -4.00 0.00 0.00 0.03 0.00 0.00 46.19 42.29 1qat s LEU 620 CO -0.14 -0.89 0.00 0.35 0.23 0.00 0.00 176.35 175.90 1qat n THR 621 N -0.06 0.00 -4.93 5.49 -2.24 -1.26 -5.07 114.28 106.21 1qat n THR 621 Ca 0.05 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.50 1qat n THR 621 Cb 0.45 0.00 -0.13 0.00 -2.10 0.00 0.00 70.33 68.54 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 3.43 2.48 0.00 -0.78 -0.44 -1.26 -4.83 119.66 118.27 1qat s GLN 622 Ca 0.00 -0.72 0.00 0.00 -2.50 0.00 0.00 55.36 52.14 1qat s GLN 622 Cb 0.00 -2.35 0.00 0.00 -1.64 0.00 0.00 33.01 29.02 1qat s GLN 622 CO 0.00 0.61 0.00 0.41 0.50 0.00 0.00 175.29 176.81 1qat n GLY 623 N 2.34 -1.37 0.31 2.59 0.00 -1.26 -4.98 105.19 102.83 1qat n GLY 623 Ca -0.17 -0.98 0.21 0.00 0.00 0.00 0.00 46.02 45.08 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 -0.01 1.61 0.11 -2.02 -1.50 132.00 130.19 1qat h PRO 624 Ca 0.00 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 65.90 1qat h PRO 624 Cb 0.00 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.11 1qat h PRO 624 CO 0.00 0.00 -0.88 0.11 -0.21 0.00 0.00 178.00 177.02 1qat h TRP 625 N 0.00 0.50 -2.44 0.65 0.09 -1.96 -3.40 115.95 109.39 1qat h TRP 625 Ca 0.00 -0.26 -0.56 0.00 0.09 0.00 0.00 58.89 58.16 1qat h TRP 625 Cb 0.01 -0.06 -0.09 0.00 0.08 0.00 0.00 29.16 29.10 1qat h TRP 625 CO 0.00 1.07 0.95 -0.46 0.09 0.00 0.00 178.44 180.09 1qat s TRP 626 N -3.31 2.37 -0.43 0.12 -0.11 -0.57 -4.38 118.94 112.62 1qat s TRP 626 Ca -0.05 -0.14 0.07 0.00 1.22 0.00 0.00 56.10 57.20 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 0.85 -1.98 0.68 0.54 -4.62 0.00 0.00 176.95 172.41 1qat n ARG 627 N 9.02 0.73 -1.74 5.86 1.74 -0.50 -4.71 116.66 127.06 1qat n ARG 627 Ca 0.02 -2.59 -0.42 0.00 -0.77 0.00 0.00 57.85 54.09 1qat n ARG 627 Cb 0.48 -1.33 -0.02 0.00 -1.02 0.00 0.00 32.46 30.58 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 1.53 2.77 -1.38 5.56 -0.04 -0.95 -4.54 135.00 137.94 1qat n PRO 628 Ca 0.16 0.99 0.00 0.00 -0.04 0.00 0.00 63.50 64.61 1qat n PRO 628 Cb 0.57 -2.80 0.00 0.00 -0.04 0.00 0.00 33.50 31.23 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 2.84 2.38 -3.31 0.54 -0.58 -0.83 -4.76 120.64 116.92 1qat n GLU 629 Ca 0.11 0.00 -0.08 0.00 -0.42 0.00 0.00 57.16 56.77 1qat n GLU 629 Cb 0.36 0.00 -0.06 0.00 -0.57 0.00 0.00 31.44 31.17 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 -1.16 0.40 0.07 3.49 3.52 0.12 -2.89 118.95 122.51 1qat s ARG 630 Ca 0.00 0.29 -0.24 0.00 -0.13 0.00 0.00 55.73 55.66 1qat s ARG 630 Cb 0.00 -0.31 -0.06 0.00 -1.56 0.00 0.00 34.95 33.02 1qat s ARG 630 CO 0.00 -0.90 0.72 -1.17 -0.81 0.00 0.00 175.30 173.13 1qat s LEU 631 N 2.56 4.49 -0.17 -0.88 2.96 0.45 -1.78 118.68 126.31 1qat s LEU 631 Ca 0.11 1.42 -0.00 0.00 -0.22 0.00 0.00 54.13 55.44 1qat s LEU 631 Cb -0.13 -3.15 0.04 0.00 0.50 0.00 0.00 46.19 43.45 1qat s LEU 631 CO -0.25 0.11 -0.06 -0.13 -1.32 0.00 0.00 176.35 174.69 1qat s ARG 632 N -0.45 1.51 -0.18 1.98 0.52 0.10 -0.90 118.95 121.52 1qat s ARG 632 Ca 0.35 -0.56 -0.01 0.00 -0.52 0.00 0.00 55.73 55.00 1qat s ARG 632 Cb -0.21 -2.06 0.00 0.00 0.52 0.00 0.00 34.95 33.21 1qat s ARG 632 CO 0.22 -0.43 -0.14 0.08 0.02 0.00 0.00 175.30 175.05 1qat s VAL 633 N 1.60 2.65 -0.57 3.52 1.01 -0.90 -0.85 120.40 126.85 1qat s VAL 633 Ca 0.00 -0.75 -0.19 0.00 0.00 0.00 0.00 61.98 61.05 1qat s VAL 633 Cb -0.15 -2.14 0.10 0.00 0.00 0.00 0.00 36.38 34.18 1qat s VAL 633 CO -0.08 0.50 0.67 -0.13 0.00 0.00 0.00 175.10 176.06 1qat s ARG 634 N 1.17 3.05 -0.92 2.72 1.81 -0.38 -0.98 118.95 125.42 1qat s ARG 634 Ca 0.02 -1.30 -0.24 0.00 -1.72 0.00 0.00 55.73 52.48 1qat s ARG 634 Cb -0.14 -4.25 0.01 0.00 -0.45 0.00 0.00 34.95 30.12 1qat s ARG 634 CO -0.06 -1.48 1.61 0.42 -0.68 0.00 0.00 175.30 175.12 1qat s ILE 635 N 2.56 3.71 0.00 1.52 -1.09 0.60 -2.21 121.20 126.30 1qat s ILE 635 Ca 0.11 -0.44 0.00 0.00 -2.23 0.00 0.00 60.65 58.09 1qat s ILE 635 Cb -0.24 -4.64 0.00 0.00 -1.58 0.00 0.00 42.46 35.99 1qat s ILE 635 CO 0.07 -1.56 0.09 -0.38 -1.23 0.00 0.00 174.94 171.93 1qat n ILE 636 N 7.16 0.00 -3.66 2.92 5.41 -0.90 -1.01 119.36 129.27 1qat n ILE 636 Ca 0.31 0.42 -0.13 0.00 1.00 0.00 0.00 62.75 64.35 1qat n ILE 636 Cb 0.50 -1.07 -0.13 0.00 -0.71 0.00 0.00 39.64 38.23 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 -2.21 0.26 0.43 4.38 1.04 -0.61 -0.46 113.70 116.53 1qat s SER 637 Ca 0.00 0.65 -0.11 0.00 0.48 0.00 0.00 55.95 56.96 1qat s SER 637 Cb 0.00 0.78 -0.07 0.00 0.10 0.00 0.00 66.02 66.83 1qat s SER 637 CO 0.00 -0.24 0.82 -0.83 0.98 0.00 0.00 173.24 173.97 1qat s GLY 638 N 2.41 1.94 -0.11 7.32 0.00 -0.75 0.14 107.32 118.28 1qat s GLY 638 Ca 0.01 -0.14 -0.09 0.00 0.00 0.00 0.00 44.72 44.49 1qat s GLY 638 CO -0.09 0.07 0.28 -0.86 0.00 0.00 0.00 173.10 172.50 1qat s GLN 639 N -3.95 0.32 -1.43 2.90 0.00 0.50 -3.29 119.66 114.70 1qat s GLN 639 Ca 0.53 0.40 -0.08 0.00 -0.00 0.00 0.00 55.36 56.21 1qat s GLN 639 Cb -0.10 0.14 0.05 0.00 0.00 0.00 0.00 33.01 33.09 1qat s GLN 639 CO 0.32 -0.05 0.91 1.04 0.00 0.00 0.00 175.29 177.51 1qat n GLN 640 N 3.03 -5.59 -2.01 9.60 6.02 0.24 -2.12 117.38 126.56 1qat n GLN 640 Ca -0.14 0.63 -0.40 0.00 -0.01 0.00 0.00 57.00 57.09 1qat n GLN 640 Cb 0.58 -5.43 -0.00 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 -7.05 4.21 0.99 1.08 1.02 -0.35 -3.86 118.68 114.73 1qat s LEU 641 Ca 0.41 2.72 -0.16 0.00 0.02 0.00 0.00 54.13 57.11 1qat s LEU 641 Cb -0.20 -3.88 -0.04 0.00 0.02 0.00 0.00 46.19 42.09 1qat s LEU 641 CO 0.81 -0.89 -0.22 -2.65 0.02 0.00 0.00 176.35 173.43 1qat n PRO 642 N 0.13 -0.33 -0.03 1.29 -0.02 -1.26 -4.68 135.00 130.09 1qat n PRO 642 Ca 0.04 -0.08 0.00 0.00 -2.02 0.00 0.00 63.50 61.44 1qat n PRO 642 Cb 0.43 -1.48 0.00 0.00 -0.02 0.00 0.00 33.50 32.43 1qat n PRO 642 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1qat n LYS 643 N 0.01 0.00 0.00 -0.52 5.02 -1.26 -4.91 118.16 116.51 1qat n LYS 643 Ca 0.02 0.00 0.15 0.00 -2.02 0.00 0.00 58.31 56.46 1qat n LYS 643 Cb 0.57 0.00 0.69 0.00 -0.02 0.00 0.00 35.03 36.27 1qat n LYS 643 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 1qat n VAL 644 N 0.00 0.00 0.30 -0.18 3.14 -1.26 -3.34 118.33 116.99 1qat n VAL 644 Ca 0.00 -0.07 0.18 0.00 -2.96 0.00 0.00 64.34 61.50 1qat n VAL 644 Cb 0.41 -0.15 0.86 0.00 -1.06 0.00 0.00 33.84 33.90 1qat n VAL 644 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 1qat h ASN 645 N 0.62 0.00 -0.67 6.55 -1.07 -1.97 -2.70 115.58 116.35 1qat h ASN 645 Ca 0.00 0.00 -0.38 0.00 0.07 0.00 0.00 56.30 55.99 1qat h ASN 645 Cb 0.29 0.00 -0.41 0.00 -2.07 0.00 0.00 38.32 36.13 1qat h ASN 645 CO 0.00 0.00 -1.01 1.17 0.07 0.00 0.00 177.43 177.66 1qat n LYS 646 N -2.92 2.39 0.00 4.14 3.00 -1.21 -5.03 118.16 118.53 1qat n LYS 646 Ca -0.01 -3.76 0.00 0.00 -0.00 0.00 0.00 58.31 54.54 1qat n LYS 646 Cb 0.19 -1.83 0.00 0.00 0.00 0.00 0.00 35.03 33.39 1qat n LYS 646 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1qat n ASN 647 N -0.57 0.00 -4.56 3.14 4.05 -1.02 -3.96 115.26 112.34 1qat n ASN 647 Ca 0.21 0.00 -0.39 0.00 0.45 0.00 0.00 54.58 54.85 1qat n ASN 647 Cb 0.85 0.00 -0.03 0.00 1.23 0.00 0.00 39.78 41.82 1qat n ASN 647 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 1qat n LYS 648 N 0.00 1.36 -1.68 1.20 4.76 -1.26 -4.85 118.16 117.68 1qat n LYS 648 Ca 0.00 0.20 -0.44 0.00 -2.87 0.00 0.00 58.31 55.21 1qat n LYS 648 Cb 0.00 -3.29 -0.02 0.00 -1.84 0.00 0.00 35.03 29.88 1qat n LYS 648 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1qat n ASN 649 N 14.05 2.72 0.00 4.39 5.03 -1.25 -4.96 115.26 135.24 1qat n ASN 649 Ca 0.35 1.18 0.00 0.00 0.87 0.00 0.00 54.58 56.98 1qat n ASN 649 Cb 0.49 -1.45 0.00 0.00 -1.02 0.00 0.00 39.78 37.79 1qat n ASN 649 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 1qat n SER 650 N 1.46 0.15 -3.82 6.41 7.64 -1.26 -5.19 113.62 119.01 1qat n SER 650 Ca 0.08 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.84 1qat n SER 650 Cb 0.34 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.45 1qat n SER 650 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1qat s ILE 651 N 1.20 0.07 0.44 0.44 1.01 -1.26 -5.10 121.20 118.00 1qat s ILE 651 Ca 0.00 -0.61 -0.08 0.00 0.00 0.00 0.00 60.65 59.96 1qat s ILE 651 Cb 0.00 -0.54 -0.05 0.00 0.01 0.00 0.00 42.46 41.88 1qat s ILE 651 CO 0.00 -0.34 0.78 -0.69 0.00 0.00 0.00 174.94 174.69 1qat s VAL 652 N -1.44 4.85 -0.64 2.92 1.01 -1.26 -4.88 120.40 120.95 1qat s VAL 652 Ca -0.14 0.42 0.05 0.00 0.00 0.00 0.00 61.98 62.31 1qat s VAL 652 Cb -0.06 -3.80 0.16 0.00 0.00 0.00 0.00 36.38 32.68 1qat s VAL 652 CO 0.02 -0.68 0.43 -1.81 0.00 0.00 0.00 175.10 173.07 1qat s ASP 653 N -3.61 4.53 0.62 3.32 1.01 -1.26 -1.04 116.67 120.23 1qat s ASP 653 Ca 0.49 -3.60 -0.17 0.00 0.71 0.00 0.00 52.55 49.98 1qat s ASP 653 Cb -0.10 -1.56 -0.02 0.00 1.01 0.00 0.00 42.92 42.24 1qat s ASP 653 CO 0.38 -0.13 1.13 -2.84 0.21 0.00 0.00 175.17 173.92 1qat s PRO 654 N -1.08 2.98 -0.29 8.23 0.02 -1.23 0.76 135.00 144.40 1qat s PRO 654 Ca 0.23 1.51 -0.15 0.00 0.02 0.00 0.00 61.00 62.62 1qat s PRO 654 Cb -0.09 -1.96 0.11 0.00 0.02 0.00 0.00 34.50 32.57 1qat s PRO 654 CO -0.13 -1.13 0.77 -1.59 -0.33 0.00 0.00 177.00 174.59 1qat s LYS 655 N -3.75 0.58 -0.26 5.54 -2.85 -0.56 -0.33 119.74 118.12 1qat s LYS 655 Ca 0.70 1.12 -0.10 0.00 -1.00 0.00 0.00 55.97 56.68 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 0.36 -0.14 0.17 0.08 0.10 0.00 0.00 175.35 175.91 1qat s VAL 656 N 1.89 5.25 -0.23 1.79 1.01 -1.26 -0.53 120.40 128.33 1qat s VAL 656 Ca -0.08 0.15 -0.10 0.00 0.00 0.00 0.00 61.98 61.95 1qat s VAL 656 Cb -0.06 -3.47 -0.05 0.00 0.00 0.00 0.00 36.38 32.80 1qat s VAL 656 CO -0.19 0.30 0.13 -0.63 0.00 0.00 0.00 175.10 174.72 1qat s ILE 657 N 1.41 5.14 -0.18 2.22 1.09 0.26 -0.65 121.20 130.49 1qat s ILE 657 Ca 0.07 0.10 -0.02 0.00 -1.10 0.00 0.00 60.65 59.70 1qat s ILE 657 Cb -0.15 -3.38 -0.01 0.00 -1.06 0.00 0.00 42.46 37.87 1qat s ILE 657 CO 0.07 0.37 -0.09 -0.69 -0.10 0.00 0.00 174.94 174.50 1qat s VAL 658 N 0.96 3.15 -0.01 2.92 1.01 0.90 -0.26 120.40 129.06 1qat s VAL 658 Ca 0.06 -0.59 0.03 0.00 0.00 0.00 0.00 61.98 61.49 1qat s VAL 658 Cb -0.13 -2.38 -0.01 0.00 0.00 0.00 0.00 36.38 33.86 1qat s VAL 658 CO 0.03 0.48 -0.11 -1.83 0.00 0.00 0.00 175.10 173.67 1qat s GLU 659 N 1.00 0.88 -0.26 2.72 -1.05 -0.38 0.21 118.70 121.82 1qat s GLU 659 Ca -0.01 -0.39 -0.11 0.00 -0.15 0.00 0.00 54.97 54.30 1qat s GLU 659 Cb -0.15 -0.85 -0.05 0.00 -0.44 0.00 0.00 34.13 32.64 1qat s GLU 659 CO -0.01 0.23 0.21 0.42 0.95 0.00 0.00 175.26 177.06 1qat s ILE 660 N -0.26 5.31 -0.22 1.83 -1.09 0.38 -1.10 121.20 126.03 1qat s ILE 660 Ca 0.04 0.23 -0.06 0.00 -2.23 0.00 0.00 60.65 58.63 1qat s ILE 660 Cb -0.04 -3.54 -0.03 0.00 -1.58 0.00 0.00 42.46 37.27 1qat s ILE 660 CO -0.00 0.27 0.04 -1.00 -1.23 0.00 0.00 174.94 173.02 1qat s HIS 661 N 1.56 3.08 0.00 3.97 3.76 -0.20 -1.70 115.29 125.76 1qat s HIS 661 Ca 0.08 -0.41 0.00 0.00 -0.15 0.00 0.00 55.06 54.58 1qat s HIS 661 Cb -0.15 -2.16 0.00 0.00 1.11 0.00 0.00 32.58 31.38 1qat s HIS 661 CO 0.09 -0.28 0.00 0.41 -0.85 0.00 0.00 174.74 174.11 1qat n GLY 662 N 4.55 1.87 3.71 -2.22 0.00 -1.26 -0.33 105.19 111.50 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 -0.57 2.23 0.11 1.61 -7.23 -1.26 -4.64 120.40 110.65 1qat s VAL 663 Ca 0.00 0.10 -0.21 0.00 -1.81 0.00 0.00 61.98 60.06 1qat s VAL 663 Cb 0.00 -2.51 -0.05 0.00 0.56 0.00 0.00 36.38 34.38 1qat s VAL 663 CO 0.00 -0.07 1.09 0.61 -0.31 0.00 0.00 175.10 176.42 1qat n GLY 664 N 0.30 -1.91 0.26 2.32 0.00 -1.26 -1.32 105.19 103.59 1qat n GLY 664 Ca 0.13 0.84 -0.05 0.00 0.00 0.00 0.00 46.02 46.94 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 -0.11 0.00 1.61 3.08 -1.90 -1.54 114.38 115.51 1qat h ARG 665 Ca 0.11 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.17 1qat h ARG 665 Cb 0.28 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.36 1qat h ARG 665 CO -0.64 -0.08 0.00 -0.25 -1.07 0.00 0.00 179.97 177.93 1qat n ASP 666 N -5.40 0.00 -4.56 7.04 8.00 -0.44 -4.70 116.55 116.51 1qat n ASP 666 Ca 0.03 0.00 -0.34 0.00 0.71 0.00 0.00 54.79 55.20 1qat n ASP 666 Cb 0.31 -0.29 -0.04 0.00 -0.02 0.00 0.00 41.12 41.08 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 -2.57 3.49 0.40 -3.53 2.01 -0.58 -4.55 115.64 110.31 1qat s THR 667 Ca 0.19 -0.15 0.04 0.00 0.31 0.00 0.00 61.69 62.08 1qat s THR 667 Cb 0.13 -4.17 -0.02 0.00 0.01 0.00 0.00 72.50 68.45 1qat s THR 667 CO 0.30 -1.12 0.16 -0.83 -0.69 0.00 0.00 174.62 172.44 1qat s GLY 668 N 7.37 2.59 -0.12 4.40 0.00 -0.69 -4.99 107.32 115.88 1qat s GLY 668 Ca 0.63 -1.34 -0.30 0.00 0.00 0.00 0.00 44.72 43.72 1qat s GLY 668 CO 0.07 -1.77 0.79 -0.45 0.00 0.00 0.00 173.10 171.74 1qat s SER 669 N -3.57 -0.58 0.25 1.64 0.15 -1.26 -0.47 113.70 109.85 1qat s SER 669 Ca 0.26 0.72 -0.02 0.00 0.70 0.00 0.00 55.95 57.60 1qat s SER 669 Cb 0.02 0.59 -0.03 0.00 -1.71 0.00 0.00 66.02 64.90 1qat s SER 669 CO 0.17 -0.47 0.27 -0.13 1.20 0.00 0.00 173.24 174.27 1qat s ARG 670 N -0.92 1.44 -0.04 5.44 1.81 0.13 -4.98 118.95 121.84 1qat s ARG 670 Ca -0.06 -1.63 -0.29 0.00 -1.72 0.00 0.00 55.73 52.03 1qat s ARG 670 Cb -0.01 0.34 0.10 0.00 -0.45 0.00 0.00 34.95 34.93 1qat s ARG 670 CO 0.06 -0.53 0.83 1.14 -0.68 0.00 0.00 175.30 176.11 1qat s GLN 671 N -3.89 0.88 0.76 3.54 -2.07 -1.26 -0.07 119.66 117.56 1qat s GLN 671 Ca 0.35 -0.06 -0.03 0.00 -1.82 0.00 0.00 55.36 53.80 1qat s GLN 671 Cb 0.04 0.41 0.14 0.00 -1.09 0.00 0.00 33.01 32.51 1qat s GLN 671 CO 0.15 -0.33 1.05 0.95 -1.32 0.00 0.00 175.29 175.78 1qat s THR 672 N -2.17 2.08 0.34 3.63 -4.23 0.18 -4.98 115.64 110.49 1qat s THR 672 Ca -0.01 -0.52 -0.18 0.00 -1.18 0.00 0.00 61.69 59.80 1qat s THR 672 Cb -0.01 -2.55 -0.10 0.00 1.34 0.00 0.00 72.50 71.18 1qat s THR 672 CO -0.02 0.00 0.80 0.00 -0.54 0.00 0.00 174.62 174.86 1qat s ALA 673 N -3.26 3.24 0.19 3.99 0.00 -1.26 -4.61 121.76 120.06 1qat s ALA 673 Ca 0.68 0.17 -0.31 0.00 0.00 0.00 0.00 51.96 52.51 1qat s ALA 673 Cb -0.05 -2.90 -0.10 0.00 0.00 0.00 0.00 23.12 20.08 1qat s ALA 673 CO 0.46 0.27 1.46 0.08 0.00 0.00 0.00 175.76 178.02 1qat s VAL 674 N -1.99 2.82 -0.60 0.00 1.01 -1.26 -4.67 120.40 115.71 1qat s VAL 674 Ca 0.55 0.64 -0.18 0.00 0.00 0.00 0.00 61.98 62.99 1qat s VAL 674 Cb -0.11 -3.41 0.11 0.00 0.00 0.00 0.00 36.38 32.98 1qat s VAL 674 CO 0.17 0.08 0.69 -0.63 0.00 0.00 0.00 175.10 175.40 1qat s ILE 675 N 0.56 4.91 -0.01 2.22 -1.09 0.55 -4.98 121.20 123.35 1qat s ILE 675 Ca 0.63 -1.15 -0.36 0.00 -2.23 0.00 0.00 60.65 57.54 1qat s ILE 675 Cb -0.41 -4.48 -0.15 0.00 -1.58 0.00 0.00 42.46 35.84 1qat s ILE 675 CO 0.37 -1.10 1.59 1.07 -1.23 0.00 0.00 174.94 175.64 1qat n THR 676 N 5.44 0.18 -3.21 2.92 5.66 -1.26 -3.51 114.28 120.49 1qat n THR 676 Ca -0.08 -0.03 -0.31 0.00 -3.05 0.00 0.00 64.05 60.57 1qat n THR 676 Cb 0.42 -1.28 0.03 0.00 -1.55 0.00 0.00 70.33 67.95 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 4.16 -5.01 0.00 1.09 3.02 -1.07 -4.99 115.26 112.46 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 -1.42 0.00 0.00 -0.61 0.00 0.00 39.78 37.97 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 0.12 0.00 -0.01 6.41 2.85 -0.21 -4.90 115.26 119.53 1qat n ASN 678 Ca -0.07 0.00 0.08 0.00 -0.11 0.00 0.00 54.58 54.48 1qat n ASN 678 Cb 0.60 0.00 -0.11 0.00 1.24 0.00 0.00 39.78 41.50 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 -0.64 0.12 8.20 0.00 -1.26 -4.06 105.19 107.55 1qat n GLY 679 Ca 0.00 -0.38 -0.11 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.88 1.61 3.57 -1.92 -0.90 116.94 118.26 1qat h PHE 680 Ca 0.00 -0.00 -0.44 0.00 3.53 0.00 0.00 57.97 61.06 1qat h PHE 680 Cb 0.63 0.06 -0.41 0.00 2.79 0.00 0.00 35.95 39.01 1qat h PHE 680 CO 0.00 0.30 -0.96 0.27 -2.23 0.00 0.00 178.31 175.69 1qat n ASN 681 N -4.89 3.28 -4.77 0.41 6.94 -1.26 -0.59 115.26 114.38 1qat n ASN 681 Ca -0.08 -3.06 -0.41 0.00 -0.02 0.00 0.00 54.58 51.01 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 -3.55 4.22 -0.06 -0.53 0.04 -1.21 -4.92 135.00 128.99 1qat s PRO 682 Ca 0.39 2.41 0.05 0.00 0.04 0.00 0.00 61.00 63.89 1qat s PRO 682 Cb 0.39 -3.03 -0.00 0.00 0.04 0.00 0.00 34.50 31.90 1qat s PRO 682 CO -0.03 -0.41 -0.20 0.50 0.04 0.00 0.00 177.00 176.90 1qat s ARG 683 N -1.60 2.24 0.00 4.56 3.52 -1.26 -1.81 118.95 124.60 1qat s ARG 683 Ca 0.53 -0.73 0.00 0.00 -0.13 0.00 0.00 55.73 55.40 1qat s ARG 683 Cb -0.44 -1.86 0.00 0.00 -1.56 0.00 0.00 34.95 31.09 1qat s ARG 683 CO 0.55 0.25 0.00 0.91 -0.81 0.00 0.00 175.30 176.21 1qat n TRP 684 N 3.21 0.00 -4.24 5.12 8.01 0.40 -4.99 117.44 124.94 1qat n TRP 684 Ca -0.19 0.00 -0.35 0.00 -1.31 0.00 0.00 57.50 55.65 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 -2.55 -2.38 -4.27 -0.99 8.00 -0.18 -4.93 116.55 109.25 1qat n ASP 685 Ca 0.00 -1.07 -0.33 0.00 0.71 0.00 0.00 54.79 54.11 1qat n ASP 685 Cb 0.48 -2.55 -0.16 0.00 -0.02 0.00 0.00 41.12 38.88 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 -6.96 3.20 -0.14 -1.24 1.75 -0.54 -4.94 119.30 110.42 1qat s MET 686 Ca 0.60 -0.78 -0.08 0.00 -1.25 0.00 0.00 55.69 54.18 1qat s MET 686 Cb -0.33 -2.52 -0.04 0.00 2.84 0.00 0.00 34.83 34.77 1qat s MET 686 CO 0.94 0.11 0.14 -2.00 -0.65 0.00 0.00 175.02 173.56 1qat s GLU 687 N 0.57 3.68 0.33 4.11 2.12 -1.26 -0.29 118.70 127.96 1qat s GLU 687 Ca -0.10 -0.14 0.09 0.00 0.36 0.00 0.00 54.97 55.17 1qat s GLU 687 Cb -0.16 -3.26 -0.05 0.00 0.26 0.00 0.00 34.13 30.92 1qat s GLU 687 CO 0.04 0.63 0.06 -0.06 -0.54 0.00 0.00 175.26 175.39 1qat s PHE 688 N -0.61 2.63 -0.12 5.30 0.08 -0.15 -4.96 117.98 120.16 1qat s PHE 688 Ca 0.13 -0.38 -0.05 0.00 0.12 0.00 0.00 56.93 56.75 1qat s PHE 688 Cb -0.12 -1.51 0.06 0.00 -0.57 0.00 0.00 43.02 40.88 1qat s PHE 688 CO 0.02 0.44 0.25 -2.00 -0.10 0.00 0.00 175.22 173.83 1qat s GLU 689 N -3.76 0.14 0.06 0.44 2.12 -1.26 -2.12 118.70 114.32 1qat s GLU 689 Ca 0.35 0.68 0.09 0.00 0.36 0.00 0.00 54.97 56.46 1qat s GLU 689 Cb -0.02 -0.08 -0.03 0.00 0.26 0.00 0.00 34.13 34.26 1qat s GLU 689 CO 0.21 -0.26 -0.24 -0.06 -0.54 0.00 0.00 175.26 174.37 1qat s PHE 690 N 2.17 2.40 -0.23 5.30 0.08 -0.08 -4.99 117.98 122.63 1qat s PHE 690 Ca -0.01 -0.36 -0.05 0.00 0.12 0.00 0.00 56.93 56.64 1qat s PHE 690 Cb -0.12 -1.39 -0.01 0.00 -0.57 0.00 0.00 43.02 40.93 1qat s PHE 690 CO -0.08 0.20 -0.01 -2.00 -0.10 0.00 0.00 175.22 173.23 1qat s GLU 691 N -1.45 3.47 -0.46 0.44 -6.30 -1.26 -0.42 118.70 112.72 1qat s GLU 691 Ca 0.13 -0.58 0.01 0.00 -2.50 0.00 0.00 54.97 52.03 1qat s GLU 691 Cb -0.10 -3.09 0.12 0.00 0.00 0.00 0.00 34.13 31.06 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 1.46 2.94 0.20 3.70 1.01 -1.14 -4.76 120.40 123.81 1qat s VAL 692 Ca 0.05 -2.61 -0.11 0.00 0.00 0.00 0.00 61.98 59.32 1qat s VAL 692 Cb -0.14 -3.03 0.14 0.00 0.00 0.00 0.00 36.38 33.35 1qat s VAL 692 CO -0.01 -0.73 1.87 0.71 0.00 0.00 0.00 175.10 176.94 1qat h THR 693 N 6.01 1.19 -3.11 3.92 1.35 -1.87 -2.22 112.91 118.18 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 0.14 -0.42 0.00 -1.73 0.00 0.00 68.15 67.13 1qat h THR 693 CO 0.65 0.19 -0.61 -0.69 -0.25 0.00 0.00 175.52 174.81 1qat s VAL 694 N -6.09 2.67 0.27 6.82 1.01 -1.26 -1.41 120.40 122.41 1qat s VAL 694 Ca -0.13 -3.96 -0.03 0.00 0.00 0.00 0.00 61.98 57.86 1qat s VAL 694 Cb 0.15 -2.78 0.17 0.00 0.00 0.00 0.00 36.38 33.92 1qat s VAL 694 CO 0.78 -0.97 1.84 -0.65 0.00 0.00 0.00 175.10 176.09 1qat h PRO 695 N 5.67 0.95 0.00 2.72 0.11 -1.80 -3.20 132.00 136.45 1qat h PRO 695 Ca 0.10 -0.17 0.00 0.00 0.11 0.00 0.00 66.00 66.04 1qat h PRO 695 Cb 0.79 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.75 1qat h PRO 695 CO 0.69 0.79 0.00 -0.44 -0.21 0.00 0.00 178.00 178.83 1qat h ASP 696 N 0.93 0.00 -0.29 -2.05 3.32 -1.93 -0.24 116.42 116.15 1qat h ASP 696 Ca 0.21 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.26 1qat h ASP 696 Cb 0.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.76 1qat h ASP 696 CO -0.02 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.68 1qat n LEU 697 N -2.58 2.79 -4.92 1.55 4.77 -1.21 -4.85 117.00 112.55 1qat n LEU 697 Ca -0.02 -1.70 -0.28 0.00 -0.03 0.00 0.00 56.01 53.98 1qat n LEU 697 Cb 0.07 -0.19 -0.03 0.00 -2.33 0.00 0.00 43.42 40.94 1qat n LEU 697 CO 0.15 0.66 0.07 0.00 -1.33 0.00 0.00 177.39 176.93 1qat s ALA 698 N -1.03 3.78 -0.04 -1.18 0.00 -0.10 -4.36 121.76 118.82 1qat s ALA 698 Ca 0.24 -0.71 -0.01 0.00 0.00 0.00 0.00 51.96 51.47 1qat s ALA 698 Cb 0.13 -2.09 0.03 0.00 0.00 0.00 0.00 23.12 21.19 1qat s ALA 698 CO 0.18 0.44 0.08 -0.51 0.00 0.00 0.00 175.76 175.96 1qat s LEU 699 N -3.23 0.98 -0.33 0.00 1.02 0.55 -0.86 118.68 116.81 1qat s LEU 699 Ca 0.40 0.16 -0.15 0.00 0.02 0.00 0.00 54.13 54.56 1qat s LEU 699 Cb -0.11 0.15 -0.02 0.00 0.02 0.00 0.00 46.19 46.23 1qat s LEU 699 CO 0.28 -0.13 0.36 -0.69 0.02 0.00 0.00 176.35 176.20 1qat s VAL 700 N 1.02 5.17 -0.30 -1.59 1.01 0.22 -1.03 120.40 124.90 1qat s VAL 700 Ca -0.08 0.13 -0.07 0.00 0.00 0.00 0.00 61.98 61.96 1qat s VAL 700 Cb -0.11 -3.80 0.01 0.00 0.00 0.00 0.00 36.38 32.48 1qat s VAL 700 CO -0.04 -0.06 0.08 -0.60 0.00 0.00 0.00 175.10 174.49 1qat s ARG 701 N 2.03 3.07 -0.31 2.72 3.52 -0.26 -0.31 118.95 129.42 1qat s ARG 701 Ca 0.12 -0.87 -0.13 0.00 -0.13 0.00 0.00 55.73 54.72 1qat s ARG 701 Cb -0.16 -3.38 -0.03 0.00 -1.56 0.00 0.00 34.95 29.82 1qat s ARG 701 CO 0.11 -0.45 0.29 -0.06 -0.81 0.00 0.00 175.30 174.38 1qat s PHE 702 N 1.50 3.22 -0.04 5.12 0.40 -0.02 -1.24 117.98 126.93 1qat s PHE 702 Ca 0.02 0.07 0.04 0.00 -0.60 0.00 0.00 56.93 56.47 1qat s PHE 702 Cb -0.17 -2.52 -0.00 0.00 0.51 0.00 0.00 43.02 40.83 1qat s PHE 702 CO 0.03 -0.29 -0.16 1.41 0.70 0.00 0.00 175.22 176.90 1qat s MET 703 N 1.89 1.61 -0.14 0.44 1.75 0.64 -0.46 119.30 125.03 1qat s MET 703 Ca 0.10 -0.57 -0.00 0.00 -1.25 0.00 0.00 55.69 53.97 1qat s MET 703 Cb -0.16 -1.43 -0.01 0.00 2.84 0.00 0.00 34.83 36.07 1qat s MET 703 CO 0.11 0.25 -0.14 0.08 -0.65 0.00 0.00 175.02 174.67 1qat s VAL 704 N -0.01 2.88 0.32 10.11 1.01 -0.07 0.92 120.40 135.55 1qat s VAL 704 Ca -0.02 -0.71 0.09 0.00 0.00 0.00 0.00 61.98 61.34 1qat s VAL 704 Cb -0.10 -2.21 -0.05 0.00 0.00 0.00 0.00 36.38 34.01 1qat s VAL 704 CO 0.01 0.52 0.01 -1.61 0.00 0.00 0.00 175.10 174.03 1qat s GLU 705 N 0.59 2.13 -0.51 2.72 2.02 0.31 -1.29 118.70 124.68 1qat s GLU 705 Ca -0.08 -1.65 0.01 0.00 0.02 0.00 0.00 54.97 53.27 1qat s GLU 705 Cb -0.16 -2.00 0.13 0.00 0.10 0.00 0.00 34.13 32.21 1qat s GLU 705 CO 0.03 0.19 0.27 0.34 0.02 0.00 0.00 175.26 176.11 1qat s ASP 706 N -3.71 4.76 0.20 -0.19 2.15 0.24 -1.50 116.67 118.62 1qat s ASP 706 Ca 0.34 -2.71 -0.32 0.00 0.43 0.00 0.00 52.55 50.29 1qat s ASP 706 Cb -0.02 -1.72 -0.15 0.00 -0.30 0.00 0.00 42.92 40.73 1qat s ASP 706 CO 0.20 -0.33 1.25 0.00 -0.17 0.00 0.00 175.17 176.12 1qat n TYR 707 N 3.57 1.63 -3.65 -5.34 9.36 0.23 -0.37 117.16 122.59 1qat n TYR 707 Ca 0.05 0.58 -0.07 0.00 3.32 0.00 0.00 57.90 61.79 1qat n TYR 707 Cb 0.36 -2.35 -0.07 0.00 -0.63 0.00 0.00 39.34 36.66 1qat n TYR 707 CO 0.00 0.00 0.00 -0.51 0.22 0.00 0.00 176.86 176.57 1qat s ASP 708 N 0.09 -0.93 0.00 2.98 1.01 -1.23 -4.51 116.67 114.07 1qat s ASP 708 Ca 0.71 1.48 0.29 0.00 0.71 0.00 0.00 52.55 55.73 1qat s ASP 708 Cb -0.77 1.44 1.26 0.00 1.01 0.00 0.00 42.92 45.87 1qat s ASP 708 CO 0.51 -0.23 1.87 -1.54 0.21 0.00 0.00 175.17 175.99 1qat n SER 709 N 4.45 1.00 -0.02 0.27 3.41 -1.26 -3.04 113.62 118.43 1qat n SER 709 Ca -0.19 -1.25 -0.01 0.00 -0.26 0.00 0.00 58.87 57.16 1qat n SER 709 Cb 0.58 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.53 1qat n SER 709 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1qat h SER 710 N 1.52 0.00 -2.08 4.04 0.02 -1.99 -3.44 113.55 111.61 1qat h SER 710 Ca 0.00 0.00 -0.55 0.00 -0.84 0.00 0.00 61.79 60.40 1qat h SER 710 Cb 0.36 0.00 -0.40 0.00 0.14 0.00 0.00 62.40 62.50 1qat h SER 710 CO 0.00 0.17 -0.97 -0.24 -1.14 0.00 0.00 176.83 174.65 1qat n SER 711 N -2.84 1.77 -1.24 3.07 2.88 -1.26 -5.11 113.62 110.90 1qat n SER 711 Ca -0.01 -3.10 0.16 0.00 -1.33 0.00 0.00 58.87 54.59 1qat n SER 711 Cb 0.03 -0.62 -0.05 0.00 -0.75 0.00 0.00 64.21 62.82 1qat n SER 711 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1qat n LYS 712 N 0.64 -2.49 -2.45 -1.46 0.00 -1.17 -4.40 118.16 106.84 1qat n LYS 712 Ca 0.26 1.73 -0.42 0.00 0.00 0.00 0.00 58.31 59.88 1qat n LYS 712 Cb 0.53 -3.04 -0.03 0.00 0.00 0.00 0.00 35.03 32.49 1qat n LYS 712 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 1qat s ASN 713 N -6.24 6.21 0.66 3.14 0.01 -1.26 -3.57 114.94 113.89 1qat s ASN 713 Ca 0.00 0.21 -0.17 0.00 -0.71 0.00 0.00 52.86 52.19 1qat s ASN 713 Cb 0.00 -2.55 -0.00 0.00 0.41 0.00 0.00 41.25 39.11 1qat s ASN 713 CO 0.00 -1.66 1.23 -1.81 -1.51 0.00 0.00 177.10 173.35 1qat s ASP 714 N 4.03 4.67 -0.01 -1.22 1.01 0.50 -4.49 116.67 121.16 1qat s ASP 714 Ca 0.49 2.44 -0.26 0.00 0.71 0.00 0.00 52.55 55.93 1qat s ASP 714 Cb -0.10 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 41.19 1qat s ASP 714 CO 0.25 -1.95 0.82 0.12 0.21 0.00 0.00 175.17 174.61 1qat s PHE 715 N -1.69 3.65 -0.21 4.23 5.36 -1.26 0.80 117.98 128.86 1qat s PHE 715 Ca 0.78 1.47 -0.11 0.00 -0.96 0.00 0.00 56.93 58.11 1qat s PHE 715 Cb -0.32 -2.92 -0.09 0.00 -0.34 0.00 0.00 43.02 39.35 1qat s PHE 715 CO 0.39 0.10 -0.28 -0.89 -1.46 0.00 0.00 175.22 173.09 1qat n ILE 716 N 3.55 1.19 -3.60 3.12 5.41 -0.41 -4.90 119.36 123.73 1qat n ILE 716 Ca 0.01 -0.26 0.01 0.00 1.00 0.00 0.00 62.75 63.51 1qat n ILE 716 Cb 0.51 -1.82 -0.01 0.00 -0.71 0.00 0.00 39.64 37.61 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 -5.34 -0.39 0.36 7.39 0.00 -1.20 -4.77 107.32 103.38 1qat s GLY 717 Ca -0.29 1.14 -0.16 0.00 0.00 0.00 0.00 44.72 45.40 1qat s GLY 717 CO 0.37 0.29 0.77 -0.86 0.00 0.00 0.00 173.10 173.67 1qat s GLN 718 N -2.23 2.14 -0.29 2.90 1.03 -1.03 -0.89 119.66 121.30 1qat s GLN 718 Ca 0.13 -1.36 -0.14 0.00 0.04 0.00 0.00 55.36 54.03 1qat s GLN 718 Cb 0.04 0.62 0.11 0.00 0.03 0.00 0.00 33.01 33.80 1qat s GLN 718 CO -0.05 -0.99 0.72 0.45 -2.54 0.00 0.00 175.29 172.88 1qat s SER 719 N -3.05 -0.96 -0.15 12.60 0.15 0.39 0.06 113.70 122.75 1qat s SER 719 Ca 0.15 1.44 -0.03 0.00 0.70 0.00 0.00 55.95 58.21 1qat s SER 719 Cb -0.05 1.68 -0.03 0.00 -1.71 0.00 0.00 66.02 65.91 1qat s SER 719 CO 0.11 -0.22 -0.04 -0.89 1.20 0.00 0.00 173.24 173.40 1qat s THR 720 N 2.05 3.85 -0.11 6.45 2.01 -1.26 -0.84 115.64 127.79 1qat s THR 720 Ca -0.08 -0.38 0.01 0.00 0.31 0.00 0.00 61.69 61.55 1qat s THR 720 Cb -0.07 -2.68 0.02 0.00 0.01 0.00 0.00 72.50 69.78 1qat s THR 720 CO -0.19 0.50 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.47 1qat s ILE 721 N 0.28 1.44 0.24 1.82 1.01 0.58 -4.62 121.20 121.94 1qat s ILE 721 Ca -0.04 -0.59 -0.30 0.00 0.00 0.00 0.00 60.65 59.72 1qat s ILE 721 Cb -0.14 -1.34 -0.11 0.00 0.01 0.00 0.00 42.46 40.89 1qat s ILE 721 CO 0.03 0.43 1.54 -2.84 0.00 0.00 0.00 174.94 174.11 1qat s PRO 722 N 1.15 4.19 0.06 2.79 0.02 -1.26 0.72 135.00 142.68 1qat s PRO 722 Ca -0.03 2.44 -0.12 0.00 0.02 0.00 0.00 61.00 63.30 1qat s PRO 722 Cb -0.14 -3.09 -0.03 0.00 0.02 0.00 0.00 34.50 31.26 1qat s PRO 722 CO -0.04 -0.56 0.97 1.87 -0.33 0.00 0.00 177.00 178.91 1qat n TRP 723 N 2.76 -0.17 0.40 6.54 -0.00 -0.04 0.28 117.44 127.21 1qat n TRP 723 Ca 0.09 0.48 0.03 0.00 -0.00 0.00 0.00 57.50 58.11 1qat n TRP 723 Cb 0.38 -0.47 0.16 0.00 -0.00 0.00 0.00 31.31 31.38 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 -3.88 0.00 -0.44 5.87 3.02 -1.26 -1.01 115.26 117.56 1qat n ASN 724 Ca 0.01 -0.23 0.07 0.00 -0.03 0.00 0.00 54.58 54.39 1qat n ASN 724 Cb 0.10 0.00 0.03 0.00 -0.61 0.00 0.00 39.78 39.30 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 -0.92 1.83 -4.72 6.41 7.64 0.14 -4.99 113.62 119.01 1qat n SER 725 Ca 0.04 -1.41 -0.42 0.00 1.01 0.00 0.00 58.87 58.09 1qat n SER 725 Cb 0.02 0.20 -0.04 0.00 -1.01 0.00 0.00 64.21 63.39 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 -1.44 4.43 -0.05 -3.43 2.96 -0.18 -0.44 118.68 120.52 1qat s LEU 726 Ca 0.14 1.86 -0.04 0.00 -0.22 0.00 0.00 54.13 55.87 1qat s LEU 726 Cb 0.11 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 43.18 1qat s LEU 726 CO 0.24 -0.25 0.15 -0.54 -1.32 0.00 0.00 176.35 174.63 1qat s LYS 727 N 0.49 3.38 0.69 1.98 1.02 -0.62 -4.87 119.74 121.80 1qat s LYS 727 Ca 0.52 -0.28 -0.02 0.00 0.02 0.00 0.00 55.97 56.21 1qat s LYS 727 Cb -0.25 -3.09 0.10 0.00 -0.52 0.00 0.00 37.83 34.07 1qat s LYS 727 CO 0.30 0.71 0.97 -0.65 -0.92 0.00 0.00 175.35 175.76 1qat s GLN 728 N -1.56 1.89 3.04 1.68 -0.21 -1.26 -4.64 119.66 118.61 1qat s GLN 728 Ca 0.22 -0.86 0.00 0.00 0.02 0.00 0.00 55.36 54.74 1qat s GLN 728 Cb -0.12 -2.31 0.00 0.00 1.00 0.00 0.00 33.01 31.58 1qat s GLN 728 CO 0.12 -1.30 0.00 0.41 -2.12 0.00 0.00 175.29 172.40 1qat n GLY 729 N -2.79 0.13 3.61 3.09 0.00 0.51 -4.61 105.19 105.13 1qat n GLY 729 Ca 0.12 -1.12 -0.39 0.00 0.00 0.00 0.00 46.02 44.63 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 0.11 117.35 123.22 1qat s TYR 730 Ca 0.00 0.46 -0.00 0.00 -0.37 0.00 0.00 57.07 57.16 1qat s TYR 730 Cb 0.00 -2.60 -0.04 0.00 -0.40 0.00 0.00 41.96 38.92 1qat s TYR 730 CO 0.00 -0.23 0.03 1.03 -1.57 0.00 0.00 175.55 174.81 1qat s ARG 731 N 2.09 0.94 -0.07 -0.62 1.81 -0.24 -4.92 118.95 117.93 1qat s ARG 731 Ca 0.16 -1.44 0.04 0.00 -1.72 0.00 0.00 55.73 52.78 1qat s ARG 731 Cb -0.16 0.09 -0.01 0.00 -0.45 0.00 0.00 34.95 34.42 1qat s ARG 731 CO 0.10 -0.20 -0.21 -1.01 -0.68 0.00 0.00 175.30 173.29 1qat s HIS 732 N -3.92 2.56 -0.34 -0.53 3.76 -1.17 -0.91 115.29 114.75 1qat s HIS 732 Ca 0.22 -0.65 -0.10 0.00 -0.15 0.00 0.00 55.06 54.37 1qat s HIS 732 Cb 0.07 -1.66 0.01 0.00 1.11 0.00 0.00 32.58 32.11 1qat s HIS 732 CO 0.01 -0.17 0.18 0.08 -0.85 0.00 0.00 174.74 173.98 1qat s VAL 733 N -0.11 4.62 -0.30 -0.90 1.01 0.83 -2.31 120.40 123.25 1qat s VAL 733 Ca -0.04 -0.57 -0.27 0.00 0.00 0.00 0.00 61.98 61.09 1qat s VAL 733 Cb -0.14 -3.44 0.01 0.00 0.00 0.00 0.00 36.38 32.81 1qat s VAL 733 CO 0.04 -0.05 0.98 -1.00 0.00 0.00 0.00 175.10 175.08 1qat s HIS 734 N 1.60 3.20 -0.07 5.22 3.76 -1.26 -1.11 115.29 126.63 1qat s HIS 734 Ca 0.04 1.14 -0.30 0.00 -0.15 0.00 0.00 55.06 55.79 1qat s HIS 734 Cb -0.18 -3.46 -0.03 0.00 1.11 0.00 0.00 32.58 30.02 1qat s HIS 734 CO 0.07 -0.65 1.17 -0.51 -0.85 0.00 0.00 174.74 173.97 1qat s LEU 735 N 3.35 4.26 0.44 0.89 1.43 -0.36 -4.70 118.68 124.01 1qat s LEU 735 Ca 0.41 1.75 -0.05 0.00 -1.03 0.00 0.00 54.13 55.21 1qat s LEU 735 Cb -0.13 -3.56 -0.04 0.00 0.03 0.00 0.00 46.19 42.49 1qat s LEU 735 CO 0.13 -0.57 0.73 -0.76 0.23 0.00 0.00 176.35 176.11 1qat s LEU 736 N 2.27 3.74 0.00 1.79 1.43 0.11 -0.67 118.68 127.34 1qat s LEU 736 Ca 0.54 0.87 -0.01 0.00 -1.03 0.00 0.00 54.13 54.51 1qat s LEU 736 Cb -0.23 -3.79 0.01 0.00 0.03 0.00 0.00 46.19 42.20 1qat s LEU 736 CO 0.21 -0.49 0.07 -1.54 0.23 0.00 0.00 176.35 174.83 1qat n SER 737 N -1.98 0.03 0.27 2.29 3.41 0.48 -2.45 113.62 115.67 1qat n SER 737 Ca -0.00 -1.04 0.16 0.00 -0.26 0.00 0.00 58.87 57.73 1qat n SER 737 Cb 0.55 -0.05 0.68 0.00 -0.26 0.00 0.00 64.21 65.12 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 -2.63 116.57 119.67 1qat h LYS 738 Ca -0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1qat h LYS 738 Cb 0.07 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 1qat h LYS 738 CO 0.02 0.03 0.00 0.27 -2.27 0.00 0.00 179.45 177.50 1qat n ASN 739 N -3.15 3.42 0.00 4.20 6.94 -1.26 -4.66 115.26 120.75 1qat n ASN 739 Ca 0.00 -1.99 0.00 0.00 -0.02 0.00 0.00 54.58 52.58 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 1.46 0.78 3.59 4.83 0.00 -0.99 -5.01 105.19 109.84 1qat n GLY 740 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.78 6.61 -0.14 1.61 1.11 -1.26 -4.55 116.67 117.26 1qat s ASP 741 Ca 0.00 0.39 -0.37 0.00 0.18 0.00 0.00 52.55 52.75 1qat s ASP 741 Cb 0.00 -2.49 -0.14 0.00 1.07 0.00 0.00 42.92 41.36 1qat s ASP 741 CO 0.00 -1.05 1.73 1.67 1.18 0.00 0.00 175.17 178.70 1qat n GLN 742 N 7.25 1.55 -1.66 8.23 7.27 -1.26 -0.39 117.38 138.37 1qat n GLN 742 Ca 0.08 0.57 -0.38 0.00 0.07 0.00 0.00 57.00 57.34 1qat n GLN 742 Cb 0.48 -2.31 0.05 0.00 2.41 0.00 0.00 30.24 30.88 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 5.30 1.36 -0.25 3.69 8.25 0.15 -4.82 115.22 128.90 1qat n HIS 743 Ca 0.24 0.44 0.02 0.00 -0.26 0.00 0.00 57.72 58.15 1qat n HIS 743 Cb 0.20 -2.21 0.09 0.00 1.12 0.00 0.00 29.99 29.19 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 0.70 0.01 -0.06 -0.41 0.13 -1.90 -3.34 132.00 127.13 1qat h PRO 744 Ca -0.49 -0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.47 1qat h PRO 744 Cb 1.35 -0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.25 1qat h PRO 744 CO 0.53 0.01 -0.56 -1.13 -0.23 0.00 0.00 178.00 176.61 1qat n SER 745 N -5.47 -0.34 -4.61 1.44 3.41 -1.26 -5.10 113.62 101.68 1qat n SER 745 Ca 0.10 -2.06 -0.39 0.00 -0.26 0.00 0.00 58.87 56.26 1qat n SER 745 Cb 0.38 0.17 -0.08 0.00 -0.26 0.00 0.00 64.21 64.42 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 -0.52 3.58 0.21 7.33 0.00 -1.25 -4.54 121.76 126.57 1qat s ALA 746 Ca 0.13 -0.71 -0.03 0.00 0.00 0.00 0.00 51.96 51.35 1qat s ALA 746 Cb 0.25 -2.78 -0.03 0.00 0.00 0.00 0.00 23.12 20.55 1qat s ALA 746 CO -0.08 -0.68 0.21 0.95 0.00 0.00 0.00 175.76 176.17 1qat s THR 747 N 2.14 0.00 -0.14 0.00 -4.23 -0.90 -1.22 115.64 111.29 1qat s THR 747 Ca 0.18 -1.87 -0.00 0.00 -1.18 0.00 0.00 61.69 58.81 1qat s THR 747 Cb -0.16 -2.44 0.03 0.00 1.34 0.00 0.00 72.50 71.27 1qat s THR 747 CO 0.09 0.00 -0.07 -0.76 -0.54 0.00 0.00 174.62 173.35 1qat s LEU 748 N -3.13 1.37 -0.01 4.79 1.43 -0.27 -0.37 118.68 122.49 1qat s LEU 748 Ca 0.36 -0.45 -0.26 0.00 -1.03 0.00 0.00 54.13 52.74 1qat s LEU 748 Cb 0.05 -0.88 -0.04 0.00 0.03 0.00 0.00 46.19 45.35 1qat s LEU 748 CO 0.12 -0.14 0.82 0.12 0.23 0.00 0.00 176.35 177.50 1qat s PHE 749 N 1.67 3.65 0.15 0.29 5.36 0.12 -0.12 117.98 129.11 1qat s PHE 749 Ca 0.03 1.48 -0.05 0.00 -0.96 0.00 0.00 56.93 57.43 1qat s PHE 749 Cb -0.14 -2.92 -0.02 0.00 -0.34 0.00 0.00 43.02 39.60 1qat s PHE 749 CO -0.08 0.11 0.18 0.14 -1.46 0.00 0.00 175.22 174.11 1qat s VAL 750 N 0.62 0.08 -0.21 3.12 -7.23 -0.09 -1.58 120.40 115.11 1qat s VAL 750 Ca 0.43 -1.62 0.01 0.00 -1.81 0.00 0.00 61.98 58.99 1qat s VAL 750 Cb -0.20 -1.93 0.05 0.00 0.56 0.00 0.00 36.38 34.86 1qat s VAL 750 CO 0.23 -0.37 -0.09 -0.75 -0.31 0.00 0.00 175.10 173.81 1qat s LYS 751 N -4.00 1.94 0.01 4.82 2.20 -0.94 -1.08 119.74 122.69 1qat s LYS 751 Ca 0.20 -0.90 -0.10 0.00 -0.36 0.00 0.00 55.97 54.81 1qat s LYS 751 Cb 0.05 -2.48 -0.05 0.00 -1.51 0.00 0.00 37.83 33.84 1qat s LYS 751 CO 0.01 -0.48 0.33 0.42 -0.36 0.00 0.00 175.35 175.27 1qat s ILE 752 N 1.38 5.19 -0.08 5.43 1.01 0.12 -1.24 121.20 133.01 1qat s ILE 752 Ca -0.03 0.44 -0.06 0.00 0.00 0.00 0.00 60.65 61.00 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 0.43 0.20 -0.55 0.00 0.00 0.00 174.94 174.95 1qat s SER 753 N -1.46 -0.21 -0.14 3.58 0.15 -0.03 -0.37 113.70 115.23 1qat s SER 753 Ca 0.26 0.41 -0.02 0.00 0.70 0.00 0.00 55.95 57.31 1qat s SER 753 Cb -0.14 0.38 0.04 0.00 -1.71 0.00 0.00 66.02 64.59 1qat s SER 753 CO 0.14 -0.10 0.00 -0.63 1.20 0.00 0.00 173.24 173.86 1qat s ILE 754 N 0.49 0.58 0.29 6.45 1.01 -1.26 0.01 121.20 128.76 1qat s ILE 754 Ca -0.03 -0.27 0.10 0.00 0.00 0.00 0.00 60.65 60.45 1qat s ILE 754 Cb -0.05 -0.87 -0.05 0.00 0.01 0.00 0.00 42.46 41.51 1qat s ILE 754 CO -0.02 0.06 -0.08 -1.10 0.00 0.00 0.00 174.94 173.80 1qat s GLN 755 N 1.86 2.00 0.00 2.79 -1.52 -0.73 -4.92 119.66 119.14 1qat s GLN 755 Ca 0.02 -1.63 0.26 0.00 -1.95 0.00 0.00 55.36 52.06 1qat s GLN 755 Cb -0.15 -1.95 0.54 0.00 -0.22 0.00 0.00 33.01 31.24 1qat s GLN 755 CO -0.07 0.31 1.46 -0.25 -0.25 0.00 0.00 175.29 176.49