#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wot s GLY 199 N 0.00 2.33 0.00 -0.02 0.00 -1.26 -4.96 107.32 103.41 2wot s GLY 199 Ca 0.00 0.94 0.16 0.00 0.00 0.00 0.00 44.72 45.82 2wot s GLY 199 CO 0.00 1.36 0.98 -1.30 0.00 0.00 0.00 173.10 174.13 2wot n THR 200 N -2.95 0.00 0.00 0.90 -2.24 -1.26 -4.64 114.28 104.09 2wot n THR 200 Ca 0.14 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 2wot n THR 200 Cb 0.50 1.30 0.00 0.00 -2.10 0.00 0.00 70.33 70.03 2wot n THR 200 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 2wot n ILE 201 N 0.68 0.00 -0.31 2.28 2.08 -1.26 -4.71 119.36 118.12 2wot n ILE 201 Ca 0.09 0.00 0.07 0.00 0.56 0.00 0.00 62.75 63.46 2wot n ILE 201 Cb 0.39 -0.09 0.27 0.00 -0.75 0.00 0.00 39.64 39.46 2wot n ILE 201 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2wot h ALA 202 N -0.03 1.59 -0.29 -1.39 0.00 -1.90 -0.55 119.26 116.69 2wot h ALA 202 Ca 0.00 -0.00 0.08 0.00 0.00 0.00 0.00 54.91 54.99 2wot h ALA 202 Cb 0.00 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 2wot h ALA 202 CO 0.00 0.22 0.22 -0.09 0.00 0.00 0.00 179.25 179.60 2wot h ARG 203 N 0.94 0.00 -0.47 0.00 2.43 -1.84 -2.77 114.38 112.67 2wot h ARG 203 Ca 0.43 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.60 2wot h ARG 203 Cb 0.39 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 2wot h ARG 203 CO -0.19 0.00 0.00 0.25 -1.51 0.00 0.00 179.97 178.52 2wot n THR 204 N -4.37 0.94 -4.34 0.20 -2.24 -0.22 -4.96 114.28 99.29 2wot n THR 204 Ca 0.04 -0.97 -0.34 0.00 -2.27 0.00 0.00 64.05 60.51 2wot n THR 204 Cb 0.38 0.55 -0.11 0.00 -2.10 0.00 0.00 70.33 69.05 2wot n THR 204 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2wot s ILE 205 N -1.02 4.21 -0.23 2.28 1.01 -1.05 -4.52 121.20 121.89 2wot s ILE 205 Ca 0.32 -0.26 -0.06 0.00 0.00 0.00 0.00 60.65 60.65 2wot s ILE 205 Cb 0.17 -2.82 -0.02 0.00 0.01 0.00 0.00 42.46 39.80 2wot s ILE 205 CO 0.22 0.54 0.02 -0.69 0.00 0.00 0.00 174.94 175.03 2wot s VAL 206 N -0.20 3.98 0.23 2.92 1.01 -0.90 -4.93 120.40 122.50 2wot s VAL 206 Ca 0.05 -0.29 -0.30 0.00 0.00 0.00 0.00 61.98 61.44 2wot s VAL 206 Cb -0.13 -2.83 -0.09 0.00 0.00 0.00 0.00 36.38 33.34 2wot s VAL 206 CO 0.02 0.39 1.11 -0.76 0.00 0.00 0.00 175.10 175.86 2wot s LEU 207 N 1.39 4.52 0.00 3.92 1.43 -1.26 -0.91 118.68 127.76 2wot s LEU 207 Ca 0.05 2.21 0.00 0.00 -1.03 0.00 0.00 54.13 55.35 2wot s LEU 207 Cb -0.15 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.46 2wot s LEU 207 CO 0.01 -0.19 0.00 0.00 0.23 0.00 0.00 176.35 176.40 2wot n GLN 208 N 1.74 2.88 -3.67 1.70 6.02 0.14 -4.96 117.38 121.24 2wot n GLN 208 Ca 0.01 0.00 -0.08 0.00 -0.01 0.00 0.00 57.00 56.91 2wot n GLN 208 Cb 0.45 -0.97 -0.09 0.00 1.02 0.00 0.00 30.24 30.65 2wot n GLN 208 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 2wot s GLU 209 N -1.94 0.53 -0.06 -1.09 2.12 -1.06 -5.00 118.70 112.19 2wot s GLU 209 Ca 0.00 1.03 -0.30 0.00 0.36 0.00 0.00 54.97 56.06 2wot s GLU 209 Cb 0.00 0.12 -0.03 0.00 0.26 0.00 0.00 34.13 34.48 2wot s GLU 209 CO 0.00 -0.16 1.11 0.45 -0.54 0.00 0.00 175.26 176.12 2wot s SER 210 N 1.67 7.15 -0.23 -1.70 0.15 -1.26 -0.63 113.70 118.85 2wot s SER 210 Ca -0.09 1.71 -0.11 0.00 0.70 0.00 0.00 55.95 58.16 2wot s SER 210 Cb -0.07 -2.56 -0.18 0.00 -1.71 0.00 0.00 66.02 61.50 2wot s SER 210 CO -0.16 -0.50 -0.04 -0.38 1.20 0.00 0.00 173.24 173.36 2wot n ILE 211 N 4.50 1.57 0.00 6.45 2.08 0.21 -4.93 119.36 129.24 2wot n ILE 211 Ca 0.10 -0.38 0.00 0.00 0.56 0.00 0.00 62.75 63.02 2wot n ILE 211 Cb 0.47 -1.80 0.00 0.00 -0.75 0.00 0.00 39.64 37.57 2wot n ILE 211 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2wot n GLY 212 N 1.66 1.86 3.72 7.39 0.00 -1.07 -4.97 105.19 113.78 2wot n GLY 212 Ca -0.42 -1.54 -0.38 0.00 0.00 0.00 0.00 46.02 43.67 2wot n GLY 212 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wot s LYS 213 N -1.80 4.36 0.00 1.61 1.02 -1.26 -0.48 119.74 123.18 2wot s LYS 213 Ca 0.00 0.53 0.00 0.00 0.02 0.00 0.00 55.97 56.52 2wot s LYS 213 Cb 0.00 -3.44 0.00 0.00 -0.52 0.00 0.00 37.83 33.87 2wot s LYS 213 CO 0.00 0.15 0.00 0.41 -0.92 0.00 0.00 175.35 174.99 2wot n GLY 214 N 3.22 1.68 0.12 -3.33 0.00 -1.21 -4.99 105.19 100.68 2wot n GLY 214 Ca -0.06 -1.79 -0.11 0.00 0.00 0.00 0.00 46.02 44.06 2wot n GLY 214 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2wot h ARG 215 N 0.00 0.31 -4.88 1.61 2.43 -2.04 -3.44 114.38 108.38 2wot h ARG 215 Ca 0.00 -0.06 -0.36 0.00 -0.81 0.00 0.00 59.98 58.75 2wot h ARG 215 Cb 0.00 -0.05 -0.24 0.00 -0.42 0.00 0.00 29.97 29.26 2wot h ARG 215 CO 0.00 0.39 -0.76 -0.06 -1.51 0.00 0.00 179.97 178.02 2wot s PHE 216 N -5.50 0.90 0.00 2.20 0.08 -1.26 -5.11 117.98 109.29 2wot s PHE 216 Ca -0.14 -0.37 0.00 0.00 0.12 0.00 0.00 56.93 56.55 2wot s PHE 216 Cb 0.07 -0.53 0.00 0.00 -0.57 0.00 0.00 43.02 41.99 2wot s PHE 216 CO 0.71 -0.01 0.00 0.41 -0.10 0.00 0.00 175.22 176.23 2wot n GLY 217 N 1.88 -0.67 3.26 4.36 0.00 -1.26 -4.96 105.19 107.80 2wot n GLY 217 Ca -0.19 -1.11 -0.13 0.00 0.00 0.00 0.00 46.02 44.59 2wot n GLY 217 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wot s GLU 218 N 0.00 0.42 -0.09 1.61 2.12 -0.15 -3.32 118.70 119.29 2wot s GLU 218 Ca 0.00 0.56 -0.08 0.00 0.36 0.00 0.00 54.97 55.81 2wot s GLU 218 Cb 0.00 0.17 -0.04 0.00 0.26 0.00 0.00 34.13 34.52 2wot s GLU 218 CO 0.00 -0.07 0.19 0.08 -0.54 0.00 0.00 175.26 174.92 2wot s VAL 219 N 0.40 5.42 0.08 3.70 1.01 0.37 -0.10 120.40 131.27 2wot s VAL 219 Ca -0.02 0.32 0.02 0.00 0.00 0.00 0.00 61.98 62.31 2wot s VAL 219 Cb -0.04 -3.46 -0.03 0.00 0.00 0.00 0.00 36.38 32.85 2wot s VAL 219 CO -0.02 0.60 -0.08 0.26 0.00 0.00 0.00 175.10 175.87 2wot s TRP 220 N -1.05 0.86 -0.12 5.22 0.52 0.16 -0.62 118.94 123.92 2wot s TRP 220 Ca 0.17 -0.68 -0.15 0.00 0.02 0.00 0.00 56.10 55.47 2wot s TRP 220 Cb -0.13 -0.49 -0.05 0.00 -1.15 0.00 0.00 33.47 31.65 2wot s TRP 220 CO 0.06 -0.08 0.35 0.50 0.02 0.00 0.00 176.95 177.80 2wot s ARG 221 N -2.64 4.16 0.32 4.98 3.52 0.19 -0.47 118.95 129.02 2wot s ARG 221 Ca 0.01 0.23 0.04 0.00 -0.13 0.00 0.00 55.73 55.88 2wot s ARG 221 Cb -0.03 -3.37 -0.04 0.00 -1.56 0.00 0.00 34.95 29.95 2wot s ARG 221 CO -0.01 0.34 0.16 0.20 -0.81 0.00 0.00 175.30 175.18 2wot s GLY 222 N 0.11 2.15 -0.12 8.12 0.00 -0.20 -0.69 107.32 116.69 2wot s GLY 222 Ca 0.20 -1.72 0.03 0.00 0.00 0.00 0.00 44.72 43.23 2wot s GLY 222 CO 0.07 -1.62 -0.22 1.25 0.00 0.00 0.00 173.10 172.59 2wot s LYS 223 N -3.78 3.07 -0.09 2.90 2.20 -0.09 -0.92 119.74 123.03 2wot s LYS 223 Ca 0.34 -0.85 -0.01 0.00 -0.36 0.00 0.00 55.97 55.10 2wot s LYS 223 Cb 0.05 -2.40 0.03 0.00 -1.51 0.00 0.00 37.83 34.00 2wot s LYS 223 CO 0.18 0.10 -0.03 -0.46 -0.36 0.00 0.00 175.35 174.77 2wot s TRP 224 N 0.56 1.05 -1.54 4.03 -0.00 0.11 -2.13 118.94 121.01 2wot s TRP 224 Ca -0.13 -0.45 -0.11 0.00 -0.00 0.00 0.00 56.10 55.42 2wot s TRP 224 Cb -0.17 -1.00 0.08 0.00 -0.00 0.00 0.00 33.47 32.38 2wot s TRP 224 CO 0.04 -0.42 0.74 0.54 -0.00 0.00 0.00 176.95 177.84 2wot n ARG 225 N 5.05 -4.03 -3.11 5.86 1.74 -1.26 -1.11 116.66 119.80 2wot n ARG 225 Ca -0.09 0.47 -0.13 0.00 -0.77 0.00 0.00 57.85 57.32 2wot n ARG 225 Cb 0.50 -5.06 0.05 0.00 -1.02 0.00 0.00 32.46 26.92 2wot n ARG 225 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wot n GLY 226 N -1.66 0.11 3.45 -0.13 0.00 -1.26 -5.05 105.19 100.65 2wot n GLY 226 Ca -0.07 -0.15 -0.14 0.00 0.00 0.00 0.00 46.02 45.65 2wot n GLY 226 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wot s GLU 227 N -5.72 0.70 0.18 1.61 2.12 -0.27 -5.15 118.70 112.18 2wot s GLU 227 Ca 0.32 0.63 -0.30 0.00 0.36 0.00 0.00 54.97 55.99 2wot s GLU 227 Cb -0.14 0.34 -0.08 0.00 0.26 0.00 0.00 34.13 34.51 2wot s GLU 227 CO 0.41 -0.12 1.16 -1.21 -0.54 0.00 0.00 175.26 174.97 2wot s GLU 228 N -0.02 4.52 0.15 4.30 0.41 -1.26 0.04 118.70 126.84 2wot s GLU 228 Ca -0.02 1.82 0.01 0.00 -0.41 0.00 0.00 54.97 56.37 2wot s GLU 228 Cb -0.04 -3.25 -0.04 0.00 -1.78 0.00 0.00 34.13 29.02 2wot s GLU 228 CO 0.02 -0.04 0.00 0.14 -0.49 0.00 0.00 175.26 174.90 2wot s VAL 229 N -0.10 0.52 -0.10 2.63 -7.23 -0.10 -4.38 120.40 111.66 2wot s VAL 229 Ca 0.52 -1.95 -0.05 0.00 -1.81 0.00 0.00 61.98 58.69 2wot s VAL 229 Cb -0.31 -2.01 -0.04 0.00 0.56 0.00 0.00 36.38 34.58 2wot s VAL 229 CO 0.36 -0.56 0.12 0.00 -0.31 0.00 0.00 175.10 174.71 2wot s ALA 230 N -3.76 3.77 -0.06 1.32 0.00 -0.27 -1.03 121.76 121.72 2wot s ALA 230 Ca 0.21 -0.70 0.03 0.00 0.00 0.00 0.00 51.96 51.51 2wot s ALA 230 Cb 0.06 -1.85 0.01 0.00 0.00 0.00 0.00 23.12 21.34 2wot s ALA 230 CO 0.01 0.63 -0.14 0.08 0.00 0.00 0.00 175.76 176.35 2wot s VAL 231 N -1.05 1.23 -0.20 0.00 1.01 0.38 -1.24 120.40 120.53 2wot s VAL 231 Ca 0.16 -0.55 -0.04 0.00 0.00 0.00 0.00 61.98 61.55 2wot s VAL 231 Cb -0.12 -1.10 -0.02 0.00 0.00 0.00 0.00 36.38 35.14 2wot s VAL 231 CO 0.06 0.37 -0.02 -0.75 0.00 0.00 0.00 175.10 174.76 2wot s LYS 232 N 0.51 3.52 -0.12 2.72 2.20 -0.06 0.39 119.74 128.90 2wot s LYS 232 Ca -0.12 -0.57 -0.01 0.00 -0.36 0.00 0.00 55.97 54.91 2wot s LYS 232 Cb -0.15 -3.04 -0.02 0.00 -1.51 0.00 0.00 37.83 33.11 2wot s LYS 232 CO 0.04 -0.06 -0.09 0.42 -0.36 0.00 0.00 175.35 175.30 2wot s ILE 233 N 1.15 3.46 0.12 5.43 1.01 0.86 -0.86 121.20 132.37 2wot s ILE 233 Ca 0.02 -0.53 0.10 0.00 0.00 0.00 0.00 60.65 60.25 2wot s ILE 233 Cb -0.14 -2.46 -0.04 0.00 0.01 0.00 0.00 42.46 39.83 2wot s ILE 233 CO 0.00 0.53 -0.25 -0.36 0.00 0.00 0.00 174.94 174.86 2wot s PHE 234 N 0.06 2.18 0.76 3.97 0.40 0.83 -0.97 117.98 125.21 2wot s PHE 234 Ca -0.03 -0.39 -0.11 0.00 -0.60 0.00 0.00 56.93 55.80 2wot s PHE 234 Cb -0.14 -1.18 0.05 0.00 0.51 0.00 0.00 43.02 42.26 2wot s PHE 234 CO 0.04 0.31 1.13 -1.54 0.70 0.00 0.00 175.22 175.86 2wot s SER 235 N -2.03 4.87 0.34 1.36 1.04 -1.26 -0.81 113.70 117.21 2wot s SER 235 Ca 0.12 0.87 0.05 0.00 0.48 0.00 0.00 55.95 57.47 2wot s SER 235 Cb -0.10 -1.49 0.69 0.00 0.10 0.00 0.00 66.02 65.22 2wot s SER 235 CO 0.06 -1.67 1.93 0.77 0.98 0.00 0.00 173.24 175.31 2wot h SER 236 N -0.87 0.73 0.62 7.02 4.64 -1.97 -0.98 113.55 122.75 2wot h SER 236 Ca -0.46 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 2wot h SER 236 Cb 1.30 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 2wot h SER 236 CO 0.65 0.46 0.00 -2.11 -0.87 0.00 0.00 176.83 174.96 2wot n ARG 237 N -4.49 0.16 -0.95 4.77 1.85 -1.26 -2.67 116.66 114.07 2wot n ARG 237 Ca 0.12 0.09 -0.02 0.00 -1.00 0.00 0.00 57.85 57.04 2wot n ARG 237 Cb 0.25 -1.50 0.33 0.00 -1.05 0.00 0.00 32.46 30.49 2wot n ARG 237 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 2wot n GLU 238 N -1.40 3.92 -0.32 2.89 1.02 -0.37 -4.70 120.64 121.68 2wot n GLU 238 Ca 0.08 -3.10 -0.00 0.00 -0.02 0.00 0.00 57.16 54.12 2wot n GLU 238 Cb 0.23 -2.19 0.17 0.00 -0.02 0.00 0.00 31.44 29.63 2wot n GLU 238 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 2wot h GLU 239 N 2.89 1.17 -0.61 3.49 4.81 -1.57 -1.97 114.58 122.79 2wot h GLU 239 Ca 0.18 -0.07 0.02 0.00 -0.13 0.00 0.00 59.36 59.36 2wot h GLU 239 Cb 2.17 -0.26 -0.03 0.00 0.63 0.00 0.00 28.75 31.25 2wot h GLU 239 CO 0.63 0.77 0.39 0.00 -0.73 0.00 0.00 179.01 180.08 2wot h ARG 240 N 1.20 0.77 -0.28 1.92 -0.00 -1.88 0.49 114.38 116.61 2wot h ARG 240 Ca 0.35 -0.05 -0.19 0.00 -0.50 0.00 0.00 59.98 59.60 2wot h ARG 240 Cb -0.08 -0.17 0.00 0.00 0.00 0.00 0.00 29.97 29.72 2wot h ARG 240 CO -0.09 0.51 -0.56 0.77 0.00 0.00 0.00 179.97 180.60 2wot h SER 241 N 0.79 0.97 0.09 7.04 0.02 -1.84 -2.11 113.55 118.50 2wot h SER 241 Ca 0.23 -0.54 0.00 0.00 -0.84 0.00 0.00 61.79 60.65 2wot h SER 241 Cb -0.04 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.21 2wot h SER 241 CO -0.07 1.33 -0.07 -0.25 -1.14 0.00 0.00 176.83 176.62 2wot h TRP 242 N 0.64 -0.19 -0.67 3.45 7.01 -1.13 -2.18 115.95 122.88 2wot h TRP 242 Ca 0.01 0.00 -0.02 0.00 2.11 0.00 0.00 58.89 60.99 2wot h TRP 242 Cb 1.17 0.07 -0.03 0.00 -2.10 0.00 0.00 29.16 28.27 2wot h TRP 242 CO 0.08 -0.12 0.36 0.35 -2.79 0.00 0.00 178.44 176.32 2wot h PHE 243 N -0.17 0.93 -0.26 2.65 3.57 -0.90 -1.16 116.94 121.60 2wot h PHE 243 Ca 0.00 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.46 2wot h PHE 243 Cb 0.16 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 38.59 2wot h PHE 243 CO -0.10 0.67 0.10 -0.09 -2.23 0.00 0.00 178.31 176.66 2wot h ARG 244 N 0.92 0.39 -0.55 1.11 9.65 -1.30 0.38 114.38 124.98 2wot h ARG 244 Ca 0.24 -0.07 -0.04 0.00 -1.10 0.00 0.00 59.98 59.00 2wot h ARG 244 Cb 0.06 -0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 28.55 2wot h ARG 244 CO -0.04 0.43 0.20 1.49 2.80 0.00 0.00 179.97 184.86 2wot h GLU 245 N 0.26 0.84 -0.67 0.20 4.81 -1.29 -0.92 114.58 117.81 2wot h GLU 245 Ca 0.09 -0.17 0.09 0.00 -0.13 0.00 0.00 59.36 59.24 2wot h GLU 245 Cb 0.19 -0.13 -0.07 0.00 0.63 0.00 0.00 28.75 29.37 2wot h GLU 245 CO -0.01 0.75 0.31 0.00 -0.73 0.00 0.00 179.01 179.33 2wot h ALA 246 N 1.05 0.91 -0.10 2.92 0.00 -0.94 -1.82 119.26 121.29 2wot h ALA 246 Ca 0.18 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 2wot h ALA 246 Cb 0.24 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 2wot h ALA 246 CO -0.01 -0.10 0.05 1.49 0.00 0.00 0.00 179.25 180.69 2wot h GLU 247 N 0.54 0.14 -0.32 0.00 4.81 0.28 -2.27 114.58 117.75 2wot h GLU 247 Ca 0.33 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.56 2wot h GLU 247 Cb 0.37 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.70 2wot h GLU 247 CO -0.28 0.18 0.18 0.82 -0.73 0.00 0.00 179.01 179.19 2wot h ILE 248 N 0.06 1.03 0.00 2.32 1.08 -0.97 -2.72 117.51 118.31 2wot h ILE 248 Ca 0.04 -0.13 -0.02 0.00 -0.39 0.00 0.00 64.86 64.36 2wot h ILE 248 Cb 0.09 0.62 -0.00 0.00 -3.07 0.00 0.00 36.82 34.45 2wot h ILE 248 CO -0.01 0.07 -0.08 1.88 -0.69 0.00 0.00 178.15 179.33 2wot h TYR 249 N 0.38 0.00 -0.07 1.37 0.05 -1.23 -2.22 116.97 115.24 2wot h TYR 249 Ca 0.13 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.91 2wot h TYR 249 Cb 0.01 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.75 2wot h TYR 249 CO -0.08 0.08 0.00 1.04 -1.05 0.00 0.00 178.16 178.15 2wot n GLN 250 N -3.32 1.84 -1.64 4.88 6.02 -0.86 -4.91 117.38 119.38 2wot n GLN 250 Ca -0.01 -1.23 -0.47 0.00 -0.01 0.00 0.00 57.00 55.28 2wot n GLN 250 Cb 0.26 -1.46 -0.04 0.00 1.02 0.00 0.00 30.24 30.02 2wot n GLN 250 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 2wot n THR 251 N 0.47 0.39 -1.69 5.09 -1.04 -0.84 -4.90 114.28 111.76 2wot n THR 251 Ca 0.18 -0.10 -0.41 0.00 -2.04 0.00 0.00 64.05 61.67 2wot n THR 251 Cb 0.40 -1.28 0.01 0.00 -1.82 0.00 0.00 70.33 67.64 2wot n THR 251 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 2wot n VAL 252 N 2.55 2.36 -1.28 12.58 0.24 -1.26 -2.69 118.33 130.83 2wot n VAL 252 Ca 0.15 -0.50 -0.10 0.00 -2.04 0.00 0.00 64.34 61.86 2wot n VAL 252 Cb 0.27 -1.54 -0.04 0.00 -1.47 0.00 0.00 33.84 31.06 2wot n VAL 252 CO 0.00 0.00 0.00 0.23 -2.14 0.00 0.00 176.83 174.92 2wot n MET 253 N 0.22 -1.30 0.06 7.34 2.81 -1.26 -4.46 117.12 120.53 2wot n MET 253 Ca 0.06 0.79 -0.08 0.00 -1.81 0.00 0.00 57.70 56.66 2wot n MET 253 Cb 0.38 -4.97 0.06 0.00 -0.71 0.00 0.00 33.22 27.99 2wot n MET 253 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 2wot h LEU 254 N 0.00 0.41 -9.66 4.03 5.85 -1.86 -3.46 115.31 110.62 2wot h LEU 254 Ca -0.20 -0.25 -0.57 0.00 0.84 0.00 0.00 57.88 57.70 2wot h LEU 254 Cb 0.94 -0.12 0.08 0.00 0.37 0.00 0.00 40.66 41.93 2wot h LEU 254 CO 0.29 0.96 0.71 0.54 -0.34 0.00 0.00 178.44 180.61 2wot n ARG 255 N -3.86 2.28 -3.55 1.25 1.74 -1.26 -4.91 116.66 108.34 2wot n ARG 255 Ca -0.03 0.81 -0.17 0.00 -0.77 0.00 0.00 57.85 57.69 2wot n ARG 255 Cb 0.67 -2.52 -0.06 0.00 -1.02 0.00 0.00 32.46 29.53 2wot n ARG 255 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 2wot s HIS 256 N -0.01 -0.68 0.64 -1.55 2.46 -1.26 -5.04 115.29 109.85 2wot s HIS 256 Ca 0.67 1.31 0.38 0.00 0.47 0.00 0.00 55.06 57.89 2wot s HIS 256 Cb -0.59 0.38 2.17 0.00 -0.13 0.00 0.00 32.58 34.41 2wot s HIS 256 CO 0.49 -0.54 2.32 1.05 -2.47 0.00 0.00 174.74 175.59 2wot h GLU 257 N 3.49 0.00 -0.43 2.88 4.11 -1.96 -1.89 114.58 120.78 2wot h GLU 257 Ca -0.27 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.04 2wot h GLU 257 Cb 1.15 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.33 2wot h GLU 257 CO 0.30 0.00 0.07 0.09 0.07 0.00 0.00 179.01 179.54 2wot n ASN 258 N -3.40 3.81 -4.14 3.06 5.03 -1.26 -4.68 115.26 113.69 2wot n ASN 258 Ca -0.03 -3.28 -0.26 0.00 0.87 0.00 0.00 54.58 51.88 2wot n ASN 258 Cb 0.08 -0.63 -0.16 0.00 -1.02 0.00 0.00 39.78 38.05 2wot n ASN 258 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2wot s ILE 259 N -2.99 1.42 0.02 2.41 1.01 -0.71 -0.75 121.20 121.60 2wot s ILE 259 Ca 0.47 -0.72 -0.37 0.00 0.00 0.00 0.00 60.65 60.03 2wot s ILE 259 Cb 0.39 -1.21 -0.16 0.00 0.01 0.00 0.00 42.46 41.49 2wot s ILE 259 CO 0.08 0.41 1.46 -0.11 0.00 0.00 0.00 174.94 176.78 2wot n LEU 260 N 3.06 2.03 -4.63 2.97 7.94 -0.36 -4.51 117.00 123.49 2wot n LEU 260 Ca -0.17 1.10 -0.43 0.00 -1.11 0.00 0.00 56.01 55.40 2wot n LEU 260 Cb 0.53 -1.22 -0.02 0.00 0.53 0.00 0.00 43.42 43.24 2wot n LEU 260 CO 0.25 -0.80 1.20 -0.83 -1.11 0.00 0.00 177.39 176.09 2wot s GLY 261 N 1.23 1.32 -0.06 -3.96 0.00 -1.26 -4.95 107.32 99.64 2wot s GLY 261 Ca 0.87 0.17 -0.18 0.00 0.00 0.00 0.00 44.72 45.57 2wot s GLY 261 CO 0.49 2.70 0.50 -0.12 0.00 0.00 0.00 173.10 176.67 2wot s PHE 262 N 4.65 3.61 -0.17 1.90 5.36 -1.26 -1.11 117.98 130.96 2wot s PHE 262 Ca 0.60 1.01 -0.16 0.00 -0.96 0.00 0.00 56.93 57.42 2wot s PHE 262 Cb -0.18 -2.51 -0.05 0.00 -0.34 0.00 0.00 43.02 39.93 2wot s PHE 262 CO 0.25 0.33 -0.32 -0.89 -1.46 0.00 0.00 175.22 173.13 2wot n ILE 263 N 2.99 1.44 -3.50 3.12 5.41 0.44 -4.94 119.36 124.32 2wot n ILE 263 Ca -0.08 0.16 -0.11 0.00 1.00 0.00 0.00 62.75 63.72 2wot n ILE 263 Cb 0.52 -2.33 -0.03 0.00 -0.71 0.00 0.00 39.64 37.08 2wot n ILE 263 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2wot s ALA 264 N -2.89 -1.79 -0.04 -1.39 0.00 -0.92 -4.99 121.76 109.74 2wot s ALA 264 Ca -0.26 1.04 -0.00 0.00 0.00 0.00 0.00 51.96 52.74 2wot s ALA 264 Cb 0.04 0.27 -0.03 0.00 0.00 0.00 0.00 23.12 23.39 2wot s ALA 264 CO 0.39 -0.60 0.01 0.00 0.00 0.00 0.00 175.76 175.56 2wot s ALA 265 N -2.67 3.33 0.33 0.00 0.00 -1.26 -0.34 121.76 121.15 2wot s ALA 265 Ca 0.01 -0.87 -0.18 0.00 0.00 0.00 0.00 51.96 50.92 2wot s ALA 265 Cb -0.01 -1.44 0.05 0.00 0.00 0.00 0.00 23.12 21.72 2wot s ALA 265 CO -0.06 0.63 0.81 0.34 0.00 0.00 0.00 175.76 177.48 2wot s ASP 266 N -1.27 -0.06 0.16 0.00 3.68 -0.53 -5.01 116.67 113.65 2wot s ASP 266 Ca 0.17 -0.96 0.05 0.00 2.13 0.00 0.00 52.55 53.94 2wot s ASP 266 Cb -0.11 0.78 -0.05 0.00 -1.45 0.00 0.00 42.92 42.09 2wot s ASP 266 CO 0.07 -1.52 -0.10 0.54 0.13 0.00 0.00 175.17 174.29 2wot s ASN 267 N -3.07 1.92 -0.02 -0.34 2.20 -1.26 -0.43 114.94 113.93 2wot s ASN 267 Ca 0.15 -1.04 0.00 0.00 -0.94 0.00 0.00 52.86 51.04 2wot s ASN 267 Cb -0.05 -0.03 0.03 0.00 -2.00 0.00 0.00 41.25 39.20 2wot s ASN 267 CO 0.10 -0.33 0.01 -0.75 -2.94 0.00 0.00 177.10 173.19 2wot s LYS 268 N -3.74 0.15 -0.26 3.55 2.20 -0.28 -4.72 119.74 116.63 2wot s LYS 268 Ca 0.19 0.12 -0.05 0.00 -0.36 0.00 0.00 55.97 55.87 2wot s LYS 268 Cb 0.02 -0.37 0.01 0.00 -1.51 0.00 0.00 37.83 35.98 2wot s LYS 268 CO 0.02 -0.14 0.02 0.34 -0.36 0.00 0.00 175.35 175.23 2wot s ASP 269 N 0.99 4.73 0.00 1.43 -1.08 -1.26 -0.70 116.67 120.78 2wot s ASP 269 Ca -0.09 -0.63 0.30 0.00 -0.52 0.00 0.00 52.55 51.60 2wot s ASP 269 Cb -0.13 -1.80 1.49 0.00 -1.46 0.00 0.00 42.92 41.02 2wot s ASP 269 CO -0.02 -0.12 1.99 -0.46 0.52 0.00 0.00 175.17 177.08 2wot n ASN 270 N 4.81 0.62 0.00 -0.34 0.23 -1.07 -4.89 115.26 114.61 2wot n ASN 270 Ca -0.16 -1.11 0.00 0.00 -0.53 0.00 0.00 54.58 52.78 2wot n ASN 270 Cb 0.49 -0.01 0.00 0.00 -2.08 0.00 0.00 39.78 38.17 2wot n ASN 270 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2wot n GLY 271 N 1.11 0.47 0.99 4.83 0.00 -1.26 -4.87 105.19 106.45 2wot n GLY 271 Ca 0.21 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.22 2wot n GLY 271 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2wot n THR 272 N -1.79 0.07 -4.15 2.61 -1.04 -1.26 -5.11 114.28 103.61 2wot n THR 272 Ca 0.00 0.01 -0.09 0.00 -2.04 0.00 0.00 64.05 61.92 2wot n THR 272 Cb 0.00 -1.51 -0.10 0.00 -1.82 0.00 0.00 70.33 66.90 2wot n THR 272 CO 0.00 0.00 0.00 -1.66 -0.64 0.00 0.00 175.07 172.77 2wot s TRP 273 N -2.01 0.81 -0.15 -1.42 -2.14 -1.26 -5.15 118.94 107.62 2wot s TRP 273 Ca -0.01 -1.13 -0.10 0.00 2.66 0.00 0.00 56.10 57.53 2wot s TRP 273 Cb 0.00 -0.49 -0.05 0.00 -3.10 0.00 0.00 33.47 29.84 2wot s TRP 273 CO 0.01 -0.40 0.17 0.99 -2.66 0.00 0.00 176.95 175.06 2wot s THR 274 N -3.92 5.41 -0.03 0.66 2.01 -1.26 -2.59 115.64 115.92 2wot s THR 274 Ca 0.18 0.28 -0.01 0.00 0.31 0.00 0.00 61.69 62.45 2wot s THR 274 Cb 0.07 -3.48 -0.04 0.00 0.01 0.00 0.00 72.50 69.07 2wot s THR 274 CO -0.02 0.51 0.04 -1.10 -0.69 0.00 0.00 174.62 173.36 2wot s GLN 275 N -0.23 3.00 -0.24 4.92 -0.21 0.12 -4.08 119.66 122.94 2wot s GLN 275 Ca 0.13 -0.47 -0.09 0.00 0.02 0.00 0.00 55.36 54.95 2wot s GLN 275 Cb -0.12 -2.82 -0.04 0.00 1.00 0.00 0.00 33.01 31.04 2wot s GLN 275 CO 0.02 0.67 0.11 -0.51 -2.12 0.00 0.00 175.29 173.46 2wot s LEU 276 N -1.40 3.76 -0.03 2.90 1.43 0.01 -1.12 118.68 124.22 2wot s LEU 276 Ca 0.19 -0.05 0.04 0.00 -1.03 0.00 0.00 54.13 53.27 2wot s LEU 276 Cb -0.12 -2.01 -0.03 0.00 0.03 0.00 0.00 46.19 44.07 2wot s LEU 276 CO 0.09 0.02 -0.12 0.26 0.23 0.00 0.00 176.35 176.83 2wot s TRP 277 N 1.30 2.76 0.00 0.29 0.52 0.42 -0.12 118.94 124.12 2wot s TRP 277 Ca 0.06 -0.12 0.07 0.00 0.02 0.00 0.00 56.10 56.14 2wot s TRP 277 Cb -0.15 -1.62 -0.03 0.00 -1.15 0.00 0.00 33.47 30.53 2wot s TRP 277 CO 0.05 0.26 -0.22 -0.51 0.02 0.00 0.00 176.95 176.54 2wot s LEU 278 N -0.97 2.32 -0.04 2.99 1.43 -0.04 -1.45 118.68 122.91 2wot s LEU 278 Ca 0.13 -0.44 0.04 0.00 -1.03 0.00 0.00 54.13 52.83 2wot s LEU 278 Cb -0.11 -1.40 -0.00 0.00 0.03 0.00 0.00 46.19 44.71 2wot s LEU 278 CO 0.03 0.30 -0.15 -0.69 0.23 0.00 0.00 176.35 176.06 2wot s VAL 279 N -0.74 1.26 0.30 -1.59 1.01 0.54 -0.88 120.40 120.29 2wot s VAL 279 Ca 0.12 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.47 2wot s VAL 279 Cb -0.10 -1.09 -0.02 0.00 0.00 0.00 0.00 36.38 35.17 2wot s VAL 279 CO 0.01 0.37 0.33 -0.94 0.00 0.00 0.00 175.10 174.87 2wot s SER 280 N 0.05 0.92 0.63 3.32 1.04 -0.37 -0.42 113.70 118.86 2wot s SER 280 Ca -0.03 -1.51 -0.17 0.00 0.48 0.00 0.00 55.95 54.72 2wot s SER 280 Cb -0.10 0.56 -0.05 0.00 0.10 0.00 0.00 66.02 66.52 2wot s SER 280 CO 0.02 -1.10 0.77 0.47 0.98 0.00 0.00 173.24 174.38 2wot n ASP 281 N -1.11 -0.10 -4.51 7.02 8.00 -0.27 -1.12 116.55 124.47 2wot n ASP 281 Ca 0.03 0.73 -0.34 0.00 0.71 0.00 0.00 54.79 55.93 2wot n ASP 281 Cb 0.63 -1.30 -0.12 0.00 -0.02 0.00 0.00 41.12 40.30 2wot n ASP 281 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 2wot s TYR 282 N -1.67 2.98 -0.25 1.24 5.04 -1.26 -3.97 117.35 119.46 2wot s TYR 282 Ca 0.72 -0.24 0.03 0.00 -2.44 0.00 0.00 57.07 55.14 2wot s TYR 282 Cb -0.40 -1.87 0.06 0.00 0.35 0.00 0.00 41.96 40.09 2wot s TYR 282 CO 0.51 0.06 -0.11 -1.01 -1.34 0.00 0.00 175.55 173.65 2wot s HIS 283 N 0.01 3.23 0.38 4.97 3.76 -1.26 -4.97 115.29 121.41 2wot s HIS 283 Ca -0.00 -2.24 0.08 0.00 -0.15 0.00 0.00 55.06 52.75 2wot s HIS 283 Cb -0.13 -1.94 0.83 0.00 1.11 0.00 0.00 32.58 32.45 2wot s HIS 283 CO 0.03 -0.87 1.97 1.49 -0.85 0.00 0.00 174.74 176.51 2wot h GLU 284 N 7.80 0.63 0.00 1.40 4.81 -1.98 -2.10 114.58 125.13 2wot h GLU 284 Ca -0.22 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.98 2wot h GLU 284 Cb 1.05 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.29 2wot h GLU 284 CO 0.48 0.41 0.00 0.45 -0.73 0.00 0.00 179.01 179.62 2wot h HIS 285 N 0.65 0.00 0.00 0.92 3.86 -1.94 -3.49 115.15 115.15 2wot h HIS 285 Ca 0.29 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.50 2wot h HIS 285 Cb 0.32 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.79 2wot h HIS 285 CO -0.00 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.20 2wot n GLY 286 N 0.11 0.08 3.87 2.45 0.00 -0.79 -4.43 105.19 106.48 2wot n GLY 286 Ca 0.01 -0.98 -0.31 0.00 0.00 0.00 0.00 46.02 44.75 2wot n GLY 286 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wot s SER 287 N -4.00 6.17 0.37 1.61 1.04 -1.26 -1.22 113.70 116.41 2wot s SER 287 Ca 0.00 1.41 0.05 0.00 0.48 0.00 0.00 55.95 57.89 2wot s SER 287 Cb 0.00 -2.44 0.74 0.00 0.10 0.00 0.00 66.02 64.42 2wot s SER 287 CO 0.00 -0.91 2.01 0.25 0.98 0.00 0.00 173.24 175.57 2wot h LEU 288 N -0.34 0.63 -0.19 2.42 5.85 0.40 -0.58 115.31 123.50 2wot h LEU 288 Ca -0.44 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.31 2wot h LEU 288 Cb 1.19 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 42.03 2wot h LEU 288 CO 0.62 0.44 -0.08 0.15 -0.34 0.00 0.00 178.44 179.23 2wot h PHE 289 N 0.73 -0.17 -0.32 1.25 3.57 -1.65 0.86 116.94 121.21 2wot h PHE 289 Ca 0.24 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.74 2wot h PHE 289 Cb 0.05 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.88 2wot h PHE 289 CO -0.00 -0.12 0.15 -0.44 -2.23 0.00 0.00 178.31 175.66 2wot h ASP 290 N -0.05 0.43 -0.30 0.41 3.32 -1.67 -2.00 116.42 116.55 2wot h ASP 290 Ca 0.10 -0.14 0.03 0.00 0.02 0.00 0.00 57.03 57.04 2wot h ASP 290 Cb 0.20 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.61 2wot h ASP 290 CO -0.22 0.45 0.13 0.22 -1.72 0.00 0.00 179.24 178.10 2wot h TYR 291 N 0.38 0.24 0.00 4.55 3.20 -0.86 -1.34 116.97 123.14 2wot h TYR 291 Ca 0.11 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.93 2wot h TYR 291 Cb 0.14 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.34 2wot h TYR 291 CO -0.01 0.12 -0.31 -0.07 -1.64 0.00 0.00 178.16 176.24 2wot h LEU 292 N 0.28 0.00 -0.45 2.82 3.38 -0.76 0.36 115.31 120.94 2wot h LEU 292 Ca 0.13 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.94 2wot h LEU 292 Cb 0.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2wot h LEU 292 CO -0.11 0.31 -0.43 0.78 0.09 0.00 0.00 178.44 179.08 2wot h ASN 293 N 0.00 0.88 0.25 -0.43 2.35 -0.96 -3.34 115.58 114.33 2wot h ASN 293 Ca -0.00 -0.42 -0.28 0.00 -0.55 0.00 0.00 56.30 55.05 2wot h ASN 293 Cb 0.75 -0.25 0.02 0.00 0.05 0.00 0.00 38.32 38.90 2wot h ASN 293 CO 0.04 1.18 -1.18 0.03 -1.65 0.00 0.00 177.43 175.86 2wot h ARG 294 N 0.65 0.53 -5.42 0.81 3.08 -0.75 -3.48 114.38 109.79 2wot h ARG 294 Ca 0.04 -0.69 -0.41 0.00 0.07 0.00 0.00 59.98 58.99 2wot h ARG 294 Cb 1.01 0.23 -0.16 0.00 0.08 0.00 0.00 29.97 31.12 2wot h ARG 294 CO 0.10 1.29 -0.74 0.71 -1.07 0.00 0.00 179.97 180.26 2wot s TYR 295 N -3.00 1.49 0.43 3.04 2.02 0.07 -5.11 117.35 116.30 2wot s TYR 295 Ca -0.08 -0.60 0.03 0.00 -0.37 0.00 0.00 57.07 56.05 2wot s TYR 295 Cb 0.07 -0.74 0.00 0.00 -0.40 0.00 0.00 41.96 40.88 2wot s TYR 295 CO 0.91 0.21 0.62 0.95 -1.57 0.00 0.00 175.55 176.67 2wot s THR 296 N -2.65 3.67 0.18 -0.71 -4.23 -1.26 -4.56 115.64 106.08 2wot s THR 296 Ca 0.15 -0.73 0.07 0.00 -1.18 0.00 0.00 61.69 60.01 2wot s THR 296 Cb -0.02 -3.32 -0.04 0.00 1.34 0.00 0.00 72.50 70.46 2wot s THR 296 CO 0.04 -0.18 -0.15 0.68 -0.54 0.00 0.00 174.62 174.47 2wot s VAL 297 N -2.46 1.64 0.89 2.29 -7.23 0.46 -4.97 120.40 111.01 2wot s VAL 297 Ca 0.50 -2.08 -0.14 0.00 -1.81 0.00 0.00 61.98 58.44 2wot s VAL 297 Cb -0.10 -1.92 0.14 0.00 0.56 0.00 0.00 36.38 35.06 2wot s VAL 297 CO 0.35 -0.54 1.25 0.42 -0.31 0.00 0.00 175.10 176.27 2wot s THR 298 N -2.75 2.00 0.17 5.32 -4.23 -1.26 -0.52 115.64 114.38 2wot s THR 298 Ca 0.19 -0.00 -0.14 0.00 -1.18 0.00 0.00 61.69 60.56 2wot s THR 298 Cb -0.02 -3.00 0.06 0.00 1.34 0.00 0.00 72.50 70.89 2wot s THR 298 CO 0.06 0.00 1.79 0.58 -0.54 0.00 0.00 174.62 176.51 2wot h VAL 299 N -1.35 0.98 -0.45 2.29 2.07 -1.95 -0.56 116.25 117.29 2wot h VAL 299 Ca -0.45 -0.17 0.03 0.00 0.82 0.00 0.00 66.70 66.93 2wot h VAL 299 Cb 1.28 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 31.46 2wot h VAL 299 CO 0.52 0.09 0.24 -0.08 0.02 0.00 0.00 177.57 178.36 2wot h GLU 300 N 0.50 0.47 -0.62 1.57 4.81 -1.99 -1.63 114.58 117.69 2wot h GLU 300 Ca 0.20 -0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.43 2wot h GLU 300 Cb 0.09 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.33 2wot h GLU 300 CO -0.13 0.31 0.38 0.78 -0.73 0.00 0.00 179.01 179.62 2wot h GLY 301 N 0.49 0.88 0.91 1.92 0.00 -1.81 -0.79 103.07 104.67 2wot h GLY 301 Ca 0.19 -0.29 0.01 0.00 0.00 0.00 0.00 47.33 47.24 2wot h GLY 301 CO -0.11 0.25 0.16 1.98 0.00 0.00 0.00 176.54 178.82 2wot h MET 302 N 0.75 0.33 -0.56 4.80 1.85 -0.81 -1.69 114.93 119.59 2wot h MET 302 Ca 0.25 -0.02 -0.06 0.00 -0.61 0.00 0.00 59.70 59.26 2wot h MET 302 Cb 0.01 -0.07 -0.02 0.00 0.43 0.00 0.00 31.60 31.94 2wot h MET 302 CO -0.10 0.22 0.13 0.82 -0.40 0.00 0.00 176.91 177.58 2wot h ILE 303 N 0.34 1.25 -0.44 1.77 2.04 -0.91 -0.78 117.51 120.77 2wot h ILE 303 Ca 0.12 -0.89 0.01 0.00 1.00 0.00 0.00 64.86 65.09 2wot h ILE 303 Cb 0.01 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 36.82 2wot h ILE 303 CO -0.06 0.33 0.29 0.11 0.00 0.00 0.00 178.15 178.81 2wot h LYS 304 N 0.80 0.58 -0.33 2.37 1.57 -1.00 0.11 116.57 120.66 2wot h LYS 304 Ca 0.18 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.88 2wot h LYS 304 Cb 0.35 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 2wot h LYS 304 CO 0.00 0.38 0.06 -0.07 -0.57 0.00 0.00 179.45 179.25 2wot h LEU 305 N 0.59 0.52 -0.08 2.94 3.38 -1.05 -1.61 115.31 120.01 2wot h LEU 305 Ca 0.16 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 2wot h LEU 305 Cb -0.06 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.55 2wot h LEU 305 CO -0.04 0.64 -0.03 0.00 0.09 0.00 0.00 178.44 179.10 2wot h ALA 306 N 0.90 0.11 -0.41 1.53 0.00 -1.05 -2.32 119.26 118.02 2wot h ALA 306 Ca 0.10 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 2wot h ALA 306 Cb 0.34 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 2wot h ALA 306 CO 0.01 -0.14 0.23 1.25 0.00 0.00 0.00 179.25 180.60 2wot h LEU 307 N -0.20 0.51 -0.93 0.00 5.85 -0.82 -1.05 115.31 118.66 2wot h LEU 307 Ca 0.02 -0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.61 2wot h LEU 307 Cb 0.47 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.34 2wot h LEU 307 CO 0.01 0.44 0.20 0.77 -0.34 0.00 0.00 178.44 179.52 2wot h SER 308 N 0.53 0.91 -0.14 1.25 4.64 -1.34 0.49 113.55 119.90 2wot h SER 308 Ca 0.15 -0.16 -0.00 0.00 -0.47 0.00 0.00 61.79 61.30 2wot h SER 308 Cb 0.04 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 61.88 2wot h SER 308 CO -0.02 0.85 0.07 0.74 -0.87 0.00 0.00 176.83 177.60 2wot h THR 309 N 0.95 1.12 -0.82 2.95 2.02 -1.15 -1.66 112.91 116.32 2wot h THR 309 Ca 0.21 -0.34 -0.02 0.00 0.77 0.00 0.00 66.41 67.03 2wot h THR 309 Cb 0.27 1.08 -0.04 0.00 -1.74 0.00 0.00 68.15 67.73 2wot h THR 309 CO -0.01 0.11 0.42 0.00 0.37 0.00 0.00 175.52 176.41 2wot h ALA 310 N 0.94 1.06 -0.53 6.16 0.00 -0.85 -1.36 119.26 124.68 2wot h ALA 310 Ca 0.05 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 2wot h ALA 310 Cb 0.11 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 2wot h ALA 310 CO -0.01 0.59 0.12 1.03 0.00 0.00 0.00 179.25 180.99 2wot h SER 311 N 1.16 0.82 -0.33 0.00 0.87 -0.82 0.90 113.55 116.14 2wot h SER 311 Ca 0.29 -0.24 0.01 0.00 -1.23 0.00 0.00 61.79 60.62 2wot h SER 311 Cb 0.08 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 61.80 2wot h SER 311 CO -0.04 0.85 0.20 1.23 -0.53 0.00 0.00 176.83 178.53 2wot h GLY 312 N 0.75 0.46 1.14 5.77 0.00 -1.04 -1.64 103.07 108.51 2wot h GLY 312 Ca 0.17 -0.15 -0.08 0.00 0.00 0.00 0.00 47.33 47.26 2wot h GLY 312 CO 0.00 0.13 0.06 -2.00 0.00 0.00 0.00 176.54 174.73 2wot h LEU 313 N 0.40 1.00 -1.09 3.11 5.85 -1.03 -2.18 115.31 121.37 2wot h LEU 313 Ca 0.13 -0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.58 2wot h LEU 313 Cb -0.00 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.72 2wot h LEU 313 CO -0.06 1.02 0.43 0.00 -0.34 0.00 0.00 178.44 179.49 2wot h ALA 314 N 1.09 1.31 -0.10 1.25 0.00 -0.62 -0.31 119.26 121.87 2wot h ALA 314 Ca 0.18 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 2wot h ALA 314 Cb 0.48 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 2wot h ALA 314 CO 0.02 0.57 0.00 1.25 0.00 0.00 0.00 179.25 181.09 2wot h HIS 315 N 1.07 0.19 -0.13 0.00 -0.00 -1.02 -1.07 115.15 114.19 2wot h HIS 315 Ca 0.27 -0.03 0.05 0.00 -0.00 0.00 0.00 60.37 60.66 2wot h HIS 315 Cb 0.01 -0.05 -0.06 0.00 -0.00 0.00 0.00 27.41 27.32 2wot h HIS 315 CO 0.01 0.42 -0.27 -0.07 -0.00 0.00 0.00 177.93 178.01 2wot h LEU 316 N -0.09 -0.84 -1.74 0.26 3.38 -1.21 -2.90 115.31 112.17 2wot h LEU 316 Ca 0.03 0.13 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 2wot h LEU 316 Cb 0.34 0.36 -0.00 0.00 0.09 0.00 0.00 40.66 41.45 2wot h LEU 316 CO 0.00 -0.32 -0.15 0.45 0.09 0.00 0.00 178.44 178.52 2wot h HIS 317 N -0.34 0.00 -3.23 1.13 3.86 -0.95 0.95 115.15 116.56 2wot h HIS 317 Ca 0.10 0.00 -0.58 0.00 -1.16 0.00 0.00 60.37 58.73 2wot h HIS 317 Cb 0.49 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 28.90 2wot h HIS 317 CO -0.36 0.15 0.55 1.41 0.86 0.00 0.00 177.93 180.53 2wot s MET 318 N -4.64 4.30 0.20 2.45 -2.45 -0.42 -4.14 119.30 114.60 2wot s MET 318 Ca -0.04 1.18 -0.30 0.00 -1.25 0.00 0.00 55.69 55.29 2wot s MET 318 Cb 0.16 -3.59 -0.08 0.00 1.25 0.00 0.00 34.83 32.56 2wot s MET 318 CO 0.68 -0.43 1.10 -2.00 1.05 0.00 0.00 175.02 175.42 2wot s GLU 319 N 2.47 4.60 -0.16 4.11 2.12 -1.26 -4.50 118.70 126.08 2wot s GLU 319 Ca 0.42 1.73 0.00 0.00 0.36 0.00 0.00 54.97 57.48 2wot s GLU 319 Cb -0.16 -3.26 0.00 0.00 0.26 0.00 0.00 34.13 30.97 2wot s GLU 319 CO 0.11 0.10 -0.15 0.42 -0.54 0.00 0.00 175.26 175.20 2wot s ILE 320 N -0.40 2.61 0.85 -3.70 1.01 0.10 -4.96 121.20 116.71 2wot s ILE 320 Ca 0.48 -0.78 -0.12 0.00 0.00 0.00 0.00 60.65 60.24 2wot s ILE 320 Cb -0.30 -2.11 0.10 0.00 0.01 0.00 0.00 42.46 40.17 2wot s ILE 320 CO 0.36 0.51 1.12 0.68 0.00 0.00 0.00 174.94 177.61 2wot s VAL 321 N 0.95 2.45 0.00 2.92 -7.23 -1.26 -1.38 120.40 116.84 2wot s VAL 321 Ca -0.03 0.14 0.00 0.00 -1.81 0.00 0.00 61.98 60.29 2wot s VAL 321 Cb -0.15 -2.92 0.00 0.00 0.56 0.00 0.00 36.38 33.87 2wot s VAL 321 CO -0.02 -0.19 0.00 0.61 -0.31 0.00 0.00 175.10 175.19 2wot n GLY 322 N -2.28 -0.03 0.36 2.32 0.00 -1.26 -4.63 105.19 99.67 2wot n GLY 322 Ca 0.07 -2.29 -0.04 0.00 0.00 0.00 0.00 46.02 43.76 2wot n GLY 322 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2wot h THR 323 N 0.00 1.26 -1.05 2.61 1.35 -2.06 -2.51 112.91 112.51 2wot h THR 323 Ca 0.00 -0.64 -0.74 0.00 -0.55 0.00 0.00 66.41 64.49 2wot h THR 323 Cb 0.00 0.04 -0.11 0.00 -1.73 0.00 0.00 68.15 66.35 2wot h THR 323 CO 0.00 0.29 2.54 0.00 -0.25 0.00 0.00 175.52 178.10 2wot n GLN 324 N -4.34 4.45 -2.32 4.72 1.13 -1.26 -4.97 117.38 114.79 2wot n GLN 324 Ca 0.10 -3.34 -0.43 0.00 -1.94 0.00 0.00 57.00 51.38 2wot n GLN 324 Cb 0.09 -2.67 -0.02 0.00 0.11 0.00 0.00 30.24 27.75 2wot n GLN 324 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 2wot s GLY 325 N 0.59 1.15 -0.24 1.08 0.00 -0.95 -4.73 107.32 104.22 2wot s GLY 325 Ca 0.55 -0.01 -0.19 0.00 0.00 0.00 0.00 44.72 45.07 2wot s GLY 325 CO -0.09 2.78 0.54 1.25 0.00 0.00 0.00 173.10 177.59 2wot s LYS 326 N 4.79 4.12 0.78 2.90 2.20 -0.48 -4.82 119.74 129.22 2wot s LYS 326 Ca 0.62 0.40 -0.11 0.00 -0.36 0.00 0.00 55.97 56.52 2wot s LYS 326 Cb -0.16 -3.62 0.06 0.00 -1.51 0.00 0.00 37.83 32.60 2wot s LYS 326 CO 0.30 -0.30 1.09 -1.25 -0.36 0.00 0.00 175.35 174.83 2wot s PRO 327 N 2.14 2.23 0.36 4.03 0.04 -1.26 -0.72 135.00 141.81 2wot s PRO 327 Ca 0.23 0.76 -0.28 0.00 0.04 0.00 0.00 61.00 61.76 2wot s PRO 327 Cb -0.16 -1.92 -0.10 0.00 0.04 0.00 0.00 34.50 32.36 2wot s PRO 327 CO 0.09 -1.55 1.32 0.00 0.04 0.00 0.00 177.00 176.90 2wot s ALA 328 N -3.09 3.43 -0.08 8.56 0.00 -1.18 -4.52 121.76 124.88 2wot s ALA 328 Ca 0.60 1.28 0.01 0.00 0.00 0.00 0.00 51.96 53.85 2wot s ALA 328 Cb -0.15 -3.49 0.02 0.00 0.00 0.00 0.00 23.12 19.50 2wot s ALA 328 CO 0.55 -0.73 -0.10 0.42 0.00 0.00 0.00 175.76 175.89 2wot s ILE 329 N -1.18 1.06 -0.08 0.00 1.01 0.33 -1.13 121.20 121.22 2wot s ILE 329 Ca 0.52 -0.40 -0.02 0.00 0.00 0.00 0.00 60.65 60.74 2wot s ILE 329 Cb -0.40 -1.00 -0.03 0.00 0.01 0.00 0.00 42.46 41.04 2wot s ILE 329 CO 0.52 0.35 0.03 0.00 0.00 0.00 0.00 174.94 175.84 2wot s ALA 330 N 0.95 3.39 -0.13 9.38 0.00 -0.42 -2.98 121.76 131.95 2wot s ALA 330 Ca -0.09 -0.80 -0.18 0.00 0.00 0.00 0.00 51.96 50.89 2wot s ALA 330 Cb -0.15 -1.54 -0.16 0.00 0.00 0.00 0.00 23.12 21.27 2wot s ALA 330 CO 0.00 0.61 0.45 1.25 0.00 0.00 0.00 175.76 178.07 2wot h HIS 331 N 4.98 0.00 0.00 0.00 2.76 -1.87 -1.00 115.15 120.02 2wot h HIS 331 Ca -0.51 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.66 2wot h HIS 331 Cb 1.20 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.16 2wot h HIS 331 CO 0.65 0.63 0.00 0.54 -1.30 0.00 0.00 177.93 178.45 2wot n ARG 332 N -4.67 -0.01 -2.72 5.26 1.74 -1.26 -3.18 116.66 111.82 2wot n ARG 332 Ca -0.07 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 56.97 2wot n ARG 332 Cb 0.31 -2.83 0.09 0.00 -1.02 0.00 0.00 32.46 29.01 2wot n ARG 332 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2wot n ASP 333 N -0.01 -0.25 -4.70 0.55 2.03 -1.26 -4.09 116.55 108.82 2wot n ASP 333 Ca 0.00 -2.33 -0.42 0.00 0.52 0.00 0.00 54.79 52.56 2wot n ASP 333 Cb 0.00 0.24 -0.03 0.00 -0.72 0.00 0.00 41.12 40.61 2wot n ASP 333 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 2wot s LEU 334 N -3.62 4.34 0.16 -2.67 2.96 -1.26 -4.86 118.68 113.73 2wot s LEU 334 Ca 0.20 2.05 -0.24 0.00 -0.22 0.00 0.00 54.13 55.91 2wot s LEU 334 Cb 0.41 -3.57 0.06 0.00 0.50 0.00 0.00 46.19 43.59 2wot s LEU 334 CO -0.06 -0.57 0.81 -1.59 -1.32 0.00 0.00 176.35 173.61 2wot s LYS 335 N 1.58 1.30 0.49 1.98 -2.85 -1.26 -4.78 119.74 116.20 2wot s LYS 335 Ca 0.60 -0.64 0.20 0.00 -1.00 0.00 0.00 55.97 55.14 2wot s LYS 335 Cb -0.30 0.49 1.27 0.00 -2.06 0.00 0.00 37.83 37.23 2wot s LYS 335 CO 0.27 -0.59 2.06 0.66 0.10 0.00 0.00 175.35 177.86 2wot h SER 336 N 2.00 0.00 0.94 0.03 4.64 -1.94 -1.53 113.55 117.70 2wot h SER 336 Ca -0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 2wot h SER 336 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 2wot h SER 336 CO 0.28 0.13 0.00 0.29 -0.87 0.00 0.00 176.83 176.66 2wot n LYS 337 N -4.06 0.16 -0.25 4.77 5.02 -1.26 -1.99 118.16 120.55 2wot n LYS 337 Ca -0.02 0.29 0.08 0.00 -2.02 0.00 0.00 58.31 56.63 2wot n LYS 337 Cb 0.21 -1.75 0.22 0.00 -0.02 0.00 0.00 35.03 33.69 2wot n LYS 337 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2wot n ASN 338 N -2.05 3.33 -4.32 4.39 3.02 -0.58 -4.83 115.26 114.21 2wot n ASN 338 Ca 0.04 -2.00 -0.32 0.00 -0.03 0.00 0.00 54.58 52.26 2wot n ASN 338 Cb 0.29 -0.33 -0.15 0.00 -0.61 0.00 0.00 39.78 38.98 2wot n ASN 338 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2wot s ILE 339 N -1.01 2.65 0.04 2.41 1.01 -1.17 -1.00 121.20 124.13 2wot s ILE 339 Ca 0.33 -0.82 -0.00 0.00 0.00 0.00 0.00 60.65 60.16 2wot s ILE 339 Cb 0.17 -2.07 -0.04 0.00 0.01 0.00 0.00 42.46 40.54 2wot s ILE 339 CO 0.22 0.54 0.16 -0.76 0.00 0.00 0.00 174.94 175.11 2wot s LEU 340 N 0.22 4.19 -0.23 2.97 1.43 0.25 0.51 118.68 128.04 2wot s LEU 340 Ca -0.11 0.22 -0.06 0.00 -1.03 0.00 0.00 54.13 53.14 2wot s LEU 340 Cb -0.16 -2.68 -0.03 0.00 0.03 0.00 0.00 46.19 43.35 2wot s LEU 340 CO 0.06 0.21 0.04 -0.69 0.23 0.00 0.00 176.35 176.21 2wot s VAL 341 N -1.39 4.23 0.71 -1.59 1.01 -0.36 -1.07 120.40 121.94 2wot s VAL 341 Ca 0.30 -0.21 -0.10 0.00 0.00 0.00 0.00 61.98 61.97 2wot s VAL 341 Cb -0.13 -2.95 0.03 0.00 0.00 0.00 0.00 36.38 33.34 2wot s VAL 341 CO 0.22 0.38 1.08 -0.54 0.00 0.00 0.00 175.10 176.25 2wot s LYS 342 N 1.27 2.65 0.53 2.72 1.02 0.47 -4.14 119.74 124.27 2wot s LYS 342 Ca 0.04 0.28 0.18 0.00 0.02 0.00 0.00 55.97 56.50 2wot s LYS 342 Cb -0.15 -2.05 1.33 0.00 -0.52 0.00 0.00 37.83 36.45 2wot s LYS 342 CO 0.03 -1.11 2.14 -0.22 -0.92 0.00 0.00 175.35 175.27 2wot h LYS 343 N -0.66 0.00 -0.00 1.68 3.64 -1.97 -1.36 116.57 117.89 2wot h LYS 343 Ca -0.45 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 2wot h LYS 343 Cb 1.27 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 2wot h LYS 343 CO 0.64 0.00 0.00 0.27 -2.27 0.00 0.00 179.45 178.09 2wot n ASN 344 N -4.46 0.02 0.00 4.20 0.23 -1.26 -4.87 115.26 109.12 2wot n ASN 344 Ca -0.02 -1.59 0.00 0.00 -0.53 0.00 0.00 54.58 52.44 2wot n ASN 344 Cb 0.14 -0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.84 2wot n ASN 344 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2wot n GLY 345 N 0.71 0.49 3.68 4.83 0.00 -0.51 -5.05 105.19 109.34 2wot n GLY 345 Ca 0.10 -0.45 -0.23 0.00 0.00 0.00 0.00 46.02 45.44 2wot n GLY 345 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wot s THR 346 N -2.00 3.70 0.22 2.61 -4.23 -1.26 -4.16 115.64 110.52 2wot s THR 346 Ca 0.00 -1.72 0.01 0.00 -1.18 0.00 0.00 61.69 58.80 2wot s THR 346 Cb 0.00 -2.96 -0.04 0.00 1.34 0.00 0.00 72.50 70.84 2wot s THR 346 CO 0.00 -0.32 0.40 0.00 -0.54 0.00 0.00 174.62 174.16 2wot s ILE 349 N -0.04 4.51 0.00 0.00 1.01 0.07 -0.58 121.20 126.16 2wot s ILE 349 Ca 0.01 1.86 0.00 0.00 0.00 0.00 0.00 60.65 62.52 2wot s ILE 349 Cb -0.02 -4.22 0.00 0.00 0.01 0.00 0.00 42.46 38.23 2wot s ILE 349 CO -0.00 0.39 0.00 0.00 0.00 0.00 0.00 174.94 175.32 2wot n ALA 350 N 2.46 0.00 -3.21 9.38 0.00 -0.17 -1.22 120.51 127.75 2wot n ALA 350 Ca -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.30 2wot n ALA 350 Cb 0.49 0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.00 2wot n ALA 350 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2wot n ASP 351 N -1.92 -6.79 -0.81 0.00 4.64 -1.26 -4.81 116.55 105.60 2wot n ASP 351 Ca 0.00 -0.61 0.09 0.00 -1.38 0.00 0.00 54.79 52.88 2wot n ASP 351 Cb 0.00 -5.20 0.24 0.00 -1.04 0.00 0.00 41.12 35.13 2wot n ASP 351 CO 0.00 0.00 0.00 0.18 -0.82 0.00 0.00 177.20 176.56 2wot n LEU 352 N -3.00 2.38 0.27 -2.67 4.77 -1.26 -4.42 117.00 113.07 2wot n LEU 352 Ca -0.06 -1.13 0.14 0.00 -0.03 0.00 0.00 56.01 54.92 2wot n LEU 352 Cb 0.60 -0.26 0.76 0.00 -2.33 0.00 0.00 43.42 42.20 2wot n LEU 352 CO 0.58 0.57 1.00 1.23 -1.33 0.00 0.00 177.39 179.43 2wot h GLY 353 N 4.95 0.00 -1.78 -0.72 0.00 -1.90 -2.00 103.07 101.63 2wot h GLY 353 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2wot h GLY 353 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.58 2wot n LEU 354 N -3.60 2.82 -4.73 3.11 4.77 -1.26 -4.63 117.00 113.49 2wot n LEU 354 Ca -0.02 -1.18 -0.32 0.00 -0.03 0.00 0.00 56.01 54.46 2wot n LEU 354 Cb 0.22 -0.18 0.11 0.00 -2.33 0.00 0.00 43.42 41.24 2wot n LEU 354 CO 0.29 0.59 0.73 0.00 -1.33 0.00 0.00 177.39 177.68 2wot s ALA 355 N -1.64 2.01 0.03 -1.18 0.00 -0.75 -4.68 121.76 115.55 2wot s ALA 355 Ca 0.36 0.61 0.05 0.00 0.00 0.00 0.00 51.96 52.98 2wot s ALA 355 Cb 0.21 -3.40 -0.02 0.00 0.00 0.00 0.00 23.12 19.91 2wot s ALA 355 CO 0.30 -2.02 -0.16 0.14 0.00 0.00 0.00 175.76 174.02 2wot s VAL 356 N -2.44 1.25 0.02 0.00 -7.23 -0.38 -4.99 120.40 106.64 2wot s VAL 356 Ca 0.68 -0.95 0.08 0.00 -1.81 0.00 0.00 61.98 59.98 2wot s VAL 356 Cb -0.23 -1.10 -0.03 0.00 0.56 0.00 0.00 36.38 35.58 2wot s VAL 356 CO 0.51 0.13 -0.24 -0.13 -0.31 0.00 0.00 175.10 175.06 2wot s ARG 357 N -0.95 1.98 -0.05 4.82 0.52 -1.26 -1.30 118.95 122.71 2wot s ARG 357 Ca 0.04 -1.01 0.06 0.00 -0.52 0.00 0.00 55.73 54.29 2wot s ARG 357 Cb -0.08 -2.07 -0.01 0.00 0.52 0.00 0.00 34.95 33.32 2wot s ARG 357 CO 0.01 0.54 -0.22 -1.58 0.02 0.00 0.00 175.30 174.07 2wot s HIS 358 N -0.78 2.13 -0.31 -0.53 5.65 -0.28 -1.09 115.29 120.07 2wot s HIS 358 Ca 0.12 -0.59 -0.09 0.00 0.25 0.00 0.00 55.06 54.76 2wot s HIS 358 Cb -0.10 -1.40 0.01 0.00 -1.18 0.00 0.00 32.58 29.90 2wot s HIS 358 CO 0.02 -0.17 0.13 0.34 -0.65 0.00 0.00 174.74 174.41 2wot s ASP 359 N -0.16 5.39 0.22 9.88 2.15 -0.17 -3.08 116.67 130.90 2wot s ASP 359 Ca -0.02 -0.68 0.05 0.00 0.43 0.00 0.00 52.55 52.33 2wot s ASP 359 Cb -0.12 -1.95 0.18 0.00 -0.30 0.00 0.00 42.92 40.73 2wot s ASP 359 CO 0.02 -0.22 1.51 0.77 -0.17 0.00 0.00 175.17 177.08 2wot h SER 360 N 8.31 0.21 -0.02 -0.34 4.64 -1.96 0.21 113.55 124.60 2wot h SER 360 Ca -0.31 -0.14 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 2wot h SER 360 Cb 1.13 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 63.15 2wot h SER 360 CO 0.62 0.84 0.00 0.00 -0.87 0.00 0.00 176.83 177.42 2wot h ALA 361 N 1.16 0.02 -0.01 5.18 0.00 -1.98 -3.10 119.26 120.53 2wot h ALA 361 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2wot h ALA 361 Cb 1.23 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2wot h ALA 361 CO 0.10 -0.49 -0.54 0.25 0.00 0.00 0.00 179.25 178.57 2wot n THR 362 N -5.09 0.00 -3.62 0.00 -2.24 -1.22 -4.99 114.28 97.11 2wot n THR 362 Ca -0.07 -0.14 -0.21 0.00 -2.27 0.00 0.00 64.05 61.36 2wot n THR 362 Cb 0.04 0.89 0.04 0.00 -2.10 0.00 0.00 70.33 69.20 2wot n THR 362 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2wot n ASP 363 N -0.65 -2.36 -4.19 3.42 2.03 0.69 -5.01 116.55 110.48 2wot n ASP 363 Ca 0.08 -0.81 -0.24 0.00 0.52 0.00 0.00 54.79 54.34 2wot n ASP 363 Cb 0.40 -4.20 -0.15 0.00 -0.72 0.00 0.00 41.12 36.45 2wot n ASP 363 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 2wot s THR 364 N -3.59 1.44 0.08 5.18 -4.23 -0.94 -4.97 115.64 108.61 2wot s THR 364 Ca 0.11 -0.96 -0.04 0.00 -1.18 0.00 0.00 61.69 59.62 2wot s THR 364 Cb -0.03 -1.23 -0.05 0.00 1.34 0.00 0.00 72.50 72.53 2wot s THR 364 CO 0.80 0.26 0.30 -0.63 -0.54 0.00 0.00 174.62 174.81 2wot s ILE 365 N -0.63 5.26 -0.15 2.99 1.01 -1.26 -1.00 121.20 127.42 2wot s ILE 365 Ca 0.06 -0.01 0.26 0.00 0.00 0.00 0.00 60.65 60.96 2wot s ILE 365 Cb -0.08 -3.61 0.31 0.00 0.01 0.00 0.00 42.46 39.09 2wot s ILE 365 CO 0.01 0.17 1.74 -2.24 0.00 0.00 0.00 174.94 174.62 2wot h ASP 366 N 3.27 0.00 -3.98 3.58 2.03 -1.50 -3.44 116.42 116.37 2wot h ASP 366 Ca -0.47 0.00 -0.34 0.00 -0.73 0.00 0.00 57.03 55.49 2wot h ASP 366 Cb 1.17 0.00 -0.14 0.00 -0.83 0.00 0.00 39.33 39.53 2wot h ASP 366 CO 0.71 0.10 -0.69 0.27 -1.03 0.00 0.00 179.24 178.60 2wot s ILE 367 N -3.39 1.07 -0.47 4.15 -4.36 -1.26 -5.05 121.20 111.88 2wot s ILE 367 Ca 0.04 -2.04 -0.27 0.00 -0.26 0.00 0.00 60.65 58.12 2wot s ILE 367 Cb 0.07 -2.08 0.03 0.00 1.25 0.00 0.00 42.46 41.74 2wot s ILE 367 CO 0.63 -0.55 1.01 0.00 0.24 0.00 0.00 174.94 176.27 2wot s ALA 368 N -3.40 3.20 0.25 2.27 0.00 -1.26 -5.02 121.76 117.79 2wot s ALA 368 Ca 0.22 -0.70 -0.30 0.00 0.00 0.00 0.00 51.96 51.19 2wot s ALA 368 Cb 0.04 -3.75 -0.09 0.00 0.00 0.00 0.00 23.12 19.33 2wot s ALA 368 CO 0.04 -2.16 1.01 -1.25 0.00 0.00 0.00 175.76 173.40 2wot s PRO 369 N 4.04 4.76 0.45 0.00 0.04 -1.26 -5.06 135.00 137.97 2wot s PRO 369 Ca 0.41 1.62 -0.01 0.00 0.04 0.00 0.00 61.00 63.05 2wot s PRO 369 Cb -0.09 -3.25 -0.01 0.00 0.04 0.00 0.00 34.50 31.19 2wot s PRO 369 CO 0.28 0.37 0.69 -0.80 0.04 0.00 0.00 177.00 177.58 2wot s ASN 370 N -0.97 5.97 0.45 6.66 0.01 -1.26 -5.10 114.94 120.69 2wot s ASN 370 Ca 0.43 0.46 -0.20 0.00 -0.71 0.00 0.00 52.86 52.83 2wot s ASN 370 Cb -0.28 -1.76 -0.10 0.00 0.41 0.00 0.00 41.25 39.52 2wot s ASN 370 CO 0.35 -0.64 0.96 -1.00 -1.51 0.00 0.00 177.10 175.27 2wot s HIS 371 N -2.58 3.31 -1.10 2.20 3.76 -1.26 -4.52 115.29 115.10 2wot s HIS 371 Ca 0.47 1.59 -0.22 0.00 -0.15 0.00 0.00 55.06 56.75 2wot s HIS 371 Cb -0.10 -2.86 0.01 0.00 1.11 0.00 0.00 32.58 30.74 2wot s HIS 371 CO 0.39 -0.20 0.73 0.54 -0.85 0.00 0.00 174.74 175.35 2wot n ARG 372 N -0.81 -0.94 0.07 1.40 1.74 -1.26 -4.91 116.66 111.95 2wot n ARG 372 Ca 0.07 0.43 0.06 0.00 -0.77 0.00 0.00 57.85 57.64 2wot n ARG 372 Cb 0.54 -3.43 -0.04 0.00 -1.02 0.00 0.00 32.46 28.51 2wot n ARG 372 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 2wot n VAL 373 N -4.12 0.86 -1.22 1.55 0.24 -1.26 -4.99 118.33 109.39 2wot n VAL 373 Ca -0.12 -0.61 0.00 0.00 -2.04 0.00 0.00 64.34 61.56 2wot n VAL 373 Cb 0.59 -0.51 0.00 0.00 -1.47 0.00 0.00 33.84 32.45 2wot n VAL 373 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wot n GLY 374 N 1.28 1.24 3.67 7.63 0.00 -1.26 -5.03 105.19 112.72 2wot n GLY 374 Ca -0.05 -1.88 -0.43 0.00 0.00 0.00 0.00 46.02 43.67 2wot n GLY 374 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wot s THR 375 N 1.58 4.72 0.23 2.61 2.01 -1.26 -4.94 115.64 120.60 2wot s THR 375 Ca 0.00 1.99 -0.06 0.00 0.31 0.00 0.00 61.69 63.92 2wot s THR 375 Cb 0.00 -4.29 0.19 0.00 0.01 0.00 0.00 72.50 68.40 2wot s THR 375 CO 0.00 -0.12 1.80 0.11 -0.69 0.00 0.00 174.62 175.72 2wot h LYS 376 N 7.37 0.67 -0.97 4.92 1.57 -1.96 -2.19 116.57 125.99 2wot h LYS 376 Ca -0.23 -0.04 0.16 0.00 -1.87 0.00 0.00 60.65 58.68 2wot h LYS 376 Cb 1.09 -0.15 -0.09 0.00 0.08 0.00 0.00 32.23 33.16 2wot h LYS 376 CO 0.94 0.44 0.61 -0.09 -0.57 0.00 0.00 179.45 180.78 2wot h ARG 377 N 0.69 0.74 -0.33 3.15 2.43 -1.92 -2.24 114.38 116.89 2wot h ARG 377 Ca 0.36 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.49 2wot h ARG 377 Cb 0.34 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 2wot h ARG 377 CO -0.25 0.49 0.00 0.66 -1.51 0.00 0.00 179.97 179.36 2wot n TYR 378 N -4.64 0.42 -2.27 2.20 4.02 -0.83 -4.96 117.16 111.10 2wot n TYR 378 Ca 0.20 -0.21 -0.41 0.00 -0.01 0.00 0.00 57.90 57.47 2wot n TYR 378 Cb 0.51 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.80 2wot n TYR 378 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 176.86 174.21 2wot s MET 379 N -1.58 4.42 0.75 -0.72 -1.94 -0.85 -4.37 119.30 115.02 2wot s MET 379 Ca 0.36 2.00 -0.13 0.00 -1.71 0.00 0.00 55.69 56.21 2wot s MET 379 Cb 0.21 -3.21 0.05 0.00 2.01 0.00 0.00 34.83 33.89 2wot s MET 379 CO 0.30 -0.19 1.15 0.00 -0.01 0.00 0.00 175.02 176.27 2wot s ALA 380 N 0.00 2.13 0.21 3.03 0.00 -1.26 -4.71 121.76 121.16 2wot s ALA 380 Ca 0.55 0.64 -0.11 0.00 0.00 0.00 0.00 51.96 53.05 2wot s ALA 380 Cb -0.35 -3.39 0.29 0.00 0.00 0.00 0.00 23.12 19.66 2wot s ALA 380 CO 0.38 -1.84 1.67 -1.35 0.00 0.00 0.00 175.76 174.63 2wot h PRO 381 N -0.59 0.14 0.00 0.00 0.10 -1.92 0.92 132.00 130.65 2wot h PRO 381 Ca -0.46 -0.01 -0.01 0.00 0.10 0.00 0.00 66.00 65.62 2wot h PRO 381 Cb 1.27 -0.03 -0.00 0.00 0.10 0.00 0.00 31.00 32.33 2wot h PRO 381 CO 0.50 0.10 -0.07 1.05 0.10 0.00 0.00 178.00 179.67 2wot h GLU 382 N 0.15 0.00 0.04 1.05 9.09 -1.92 -0.96 114.58 122.02 2wot h GLU 382 Ca 0.31 0.00 -0.08 0.00 0.05 0.00 0.00 59.36 59.64 2wot h GLU 382 Cb 0.50 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.61 2wot h GLU 382 CO -0.49 0.07 -0.35 0.28 0.05 0.00 0.00 179.01 178.57 2wot h VAL 383 N 0.00 1.60 -0.87 -1.06 2.07 -1.38 -1.28 116.25 115.33 2wot h VAL 383 Ca -0.00 -2.22 0.07 0.00 0.82 0.00 0.00 66.70 65.37 2wot h VAL 383 Cb 0.27 3.04 -0.06 0.00 -1.52 0.00 0.00 31.29 33.02 2wot h VAL 383 CO 0.01 0.61 0.54 -0.07 0.02 0.00 0.00 177.57 178.68 2wot h LEU 384 N -0.58 0.84 -2.69 2.57 3.38 -0.28 -2.56 115.31 116.00 2wot h LEU 384 Ca -0.05 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2wot h LEU 384 Cb 1.19 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.78 2wot h LEU 384 CO 0.07 0.53 0.00 -0.90 0.09 0.00 0.00 178.44 178.23 2wot n ASP 385 N -4.62 3.96 -0.31 -0.43 5.68 -0.42 -4.93 116.55 115.48 2wot n ASP 385 Ca 0.13 -2.10 -0.04 0.00 -0.50 0.00 0.00 54.79 52.29 2wot n ASP 385 Cb 0.20 -0.49 -0.02 0.00 -1.14 0.00 0.00 41.12 39.66 2wot n ASP 385 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 2wot n ASP 386 N 1.46 -5.29 0.02 -1.12 10.43 -0.97 -4.84 116.55 116.25 2wot n ASP 386 Ca 0.24 0.10 0.13 0.00 2.57 0.00 0.00 54.79 57.83 2wot n ASP 386 Cb 0.65 -3.14 0.49 0.00 1.84 0.00 0.00 41.12 40.96 2wot n ASP 386 CO 0.00 0.00 0.00 -1.54 -1.07 0.00 0.00 177.20 174.59 2wot n SER 387 N -0.77 0.29 -4.69 -2.24 3.41 -0.75 -4.88 113.62 104.00 2wot n SER 387 Ca -0.04 0.37 -0.44 0.00 -0.26 0.00 0.00 58.87 58.50 2wot n SER 387 Cb 0.43 -0.40 -0.03 0.00 -0.26 0.00 0.00 64.21 63.96 2wot n SER 387 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wot n ILE 388 N -1.69 0.90 -2.98 -1.33 3.06 -0.56 -4.94 119.36 111.82 2wot n ILE 388 Ca 0.06 -0.23 -0.44 0.00 -2.50 0.00 0.00 62.75 59.65 2wot n ILE 388 Cb 0.36 -1.58 -0.04 0.00 0.54 0.00 0.00 39.64 38.92 2wot n ILE 388 CO 0.00 0.00 0.00 0.21 -2.50 0.00 0.00 176.55 174.26 2wot s ASN 389 N 0.37 6.19 0.00 9.51 2.47 -1.26 -4.91 114.94 127.32 2wot s ASN 389 Ca 0.68 -1.24 0.31 0.00 0.42 0.00 0.00 52.86 53.03 2wot s ASN 389 Cb -0.62 -2.36 1.75 0.00 -1.45 0.00 0.00 41.25 38.57 2wot s ASN 389 CO 0.49 -1.28 2.16 0.23 -3.72 0.00 0.00 177.10 174.98 2wot n MET 390 N 7.01 0.77 -0.08 0.43 2.81 -1.26 -1.77 117.12 125.04 2wot n MET 390 Ca -0.06 -0.01 0.10 0.00 -1.81 0.00 0.00 57.70 55.93 2wot n MET 390 Cb 0.44 -1.50 0.38 0.00 -0.71 0.00 0.00 33.22 31.83 2wot n MET 390 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 2wot n LYS 391 N -1.11 1.71 -4.02 0.03 4.01 -1.26 -4.68 118.16 112.84 2wot n LYS 391 Ca 0.20 -1.06 -0.32 0.00 -0.51 0.00 0.00 58.31 56.62 2wot n LYS 391 Cb 0.16 -1.39 -0.15 0.00 -0.51 0.00 0.00 35.03 33.15 2wot n LYS 391 CO 0.00 0.00 0.00 -1.58 -1.11 0.00 0.00 177.40 174.71 2wot s HIS 392 N -1.79 3.66 0.48 2.13 5.04 -0.73 -5.00 115.29 119.07 2wot s HIS 392 Ca 0.32 -2.83 0.13 0.00 -1.54 0.00 0.00 55.06 51.14 2wot s HIS 392 Cb 0.17 -2.73 1.12 0.00 0.04 0.00 0.00 32.58 31.18 2wot s HIS 392 CO 0.26 -0.94 2.11 0.35 -2.34 0.00 0.00 174.74 174.19 2wot h PHE 393 N 7.67 0.19 -0.77 3.88 3.57 -1.83 -0.13 116.94 129.52 2wot h PHE 393 Ca -0.08 0.00 0.18 0.00 3.53 0.00 0.00 57.97 61.61 2wot h PHE 393 Cb 1.03 -0.06 -0.05 0.00 2.79 0.00 0.00 35.95 39.66 2wot h PHE 393 CO 0.50 0.12 0.53 0.93 -2.23 0.00 0.00 178.31 178.16 2wot h GLU 394 N 0.20 0.26 -0.90 1.11 4.39 -1.94 -1.58 114.58 116.13 2wot h GLU 394 Ca 0.06 -0.02 0.07 0.00 0.34 0.00 0.00 59.36 59.82 2wot h GLU 394 Cb -0.01 -0.06 -0.07 0.00 -0.10 0.00 0.00 28.75 28.52 2wot h GLU 394 CO -0.01 0.18 0.56 0.77 -1.16 0.00 0.00 179.01 179.34 2wot h SER 395 N 0.27 0.86 -0.46 1.42 0.02 -1.28 -0.79 113.55 113.59 2wot h SER 395 Ca 0.38 0.02 -0.07 0.00 -0.84 0.00 0.00 61.79 61.29 2wot h SER 395 Cb 1.09 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 63.46 2wot h SER 395 CO -0.10 0.53 0.02 -0.26 -1.14 0.00 0.00 176.83 175.88 2wot h PHE 396 N 0.98 0.87 -0.66 3.45 0.04 -1.43 -1.71 116.94 118.48 2wot h PHE 396 Ca 0.40 -0.14 -0.00 0.00 2.80 0.00 0.00 57.97 61.03 2wot h PHE 396 Cb 0.24 -0.23 -0.03 0.00 2.20 0.00 0.00 35.95 38.13 2wot h PHE 396 CO -0.03 0.83 0.40 0.87 -0.60 0.00 0.00 178.31 179.79 2wot h LYS 397 N 0.65 0.90 -0.39 1.51 1.57 -1.41 -2.16 116.57 117.24 2wot h LYS 397 Ca 0.13 -0.08 -0.05 0.00 -1.87 0.00 0.00 60.65 58.78 2wot h LYS 397 Cb 0.47 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 2wot h LYS 397 CO 0.02 0.64 0.03 0.00 -0.57 0.00 0.00 179.45 179.57 2wot h ARG 398 N 0.90 0.60 -0.40 3.15 3.08 -0.94 -2.03 114.38 118.75 2wot h ARG 398 Ca 0.24 -0.13 -0.14 0.00 0.07 0.00 0.00 59.98 60.03 2wot h ARG 398 Cb -0.03 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 2wot h ARG 398 CO -0.05 0.60 -0.29 0.00 -1.07 0.00 0.00 179.97 179.16 2wot h ALA 399 N 1.46 0.73 -0.90 0.04 0.00 -1.07 -2.68 119.26 116.85 2wot h ALA 399 Ca 0.13 -0.41 0.02 0.00 0.00 0.00 0.00 54.91 54.65 2wot h ALA 399 Cb 0.32 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.92 2wot h ALA 399 CO 0.01 0.66 0.59 -0.44 0.00 0.00 0.00 179.25 180.07 2wot h ASP 400 N 0.73 0.99 -0.29 0.00 3.32 -1.02 -2.76 116.42 117.40 2wot h ASP 400 Ca 0.08 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.10 2wot h ASP 400 Cb 0.85 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.15 2wot h ASP 400 CO 0.07 0.70 0.10 0.40 -1.72 0.00 0.00 179.24 178.79 2wot h ILE 401 N 1.16 1.19 -0.50 0.35 1.08 -1.18 -0.13 117.51 119.49 2wot h ILE 401 Ca 0.35 -0.59 0.09 0.00 -0.39 0.00 0.00 64.86 64.32 2wot h ILE 401 Cb -0.05 1.04 -0.08 0.00 -3.07 0.00 0.00 36.82 34.66 2wot h ILE 401 CO -0.10 0.20 0.03 0.22 -0.69 0.00 0.00 178.15 177.80 2wot h TYR 402 N 0.31 0.02 -0.63 1.37 5.03 -1.40 -0.55 116.97 121.11 2wot h TYR 402 Ca 0.09 0.04 -0.03 0.00 2.58 0.00 0.00 58.73 61.41 2wot h TYR 402 Cb 0.21 0.07 -0.03 0.00 1.55 0.00 0.00 36.73 38.53 2wot h TYR 402 CO -0.00 -0.09 0.28 0.00 -1.32 0.00 0.00 178.16 177.03 2wot h ALA 403 N 1.43 0.81 -0.63 1.82 0.00 -1.18 -2.34 119.26 119.17 2wot h ALA 403 Ca 0.25 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2wot h ALA 403 Cb 0.37 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 2wot h ALA 403 CO -0.40 0.40 0.40 1.98 0.00 0.00 0.00 179.25 181.64 2wot h MET 404 N 0.87 0.84 -0.65 0.00 1.85 -0.43 -1.56 114.93 115.86 2wot h MET 404 Ca 0.21 -0.06 0.05 0.00 -0.61 0.00 0.00 59.70 59.29 2wot h MET 404 Cb 0.16 -0.19 -0.05 0.00 0.43 0.00 0.00 31.60 31.95 2wot h MET 404 CO -0.02 0.58 0.37 0.78 -0.40 0.00 0.00 176.91 178.21 2wot h GLY 405 N 0.88 0.94 0.98 1.39 0.00 -0.60 0.10 103.07 106.77 2wot h GLY 405 Ca 0.23 -0.27 -0.01 0.00 0.00 0.00 0.00 47.33 47.29 2wot h GLY 405 CO -0.05 0.19 0.29 1.41 0.00 0.00 0.00 176.54 178.38 2wot h LEU 406 N 0.70 0.64 -0.71 3.11 3.38 -0.97 -1.92 115.31 119.54 2wot h LEU 406 Ca 0.28 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.17 2wot h LEU 406 Cb 0.13 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 2wot h LEU 406 CO -0.15 0.53 0.45 0.58 0.09 0.00 0.00 178.44 179.94 2wot h VAL 407 N 0.69 1.20 -0.84 1.22 2.07 -0.84 -2.09 116.25 117.65 2wot h VAL 407 Ca 0.18 -0.40 0.07 0.00 0.82 0.00 0.00 66.70 67.37 2wot h VAL 407 Cb 0.03 0.18 -0.06 0.00 -1.52 0.00 0.00 31.29 29.92 2wot h VAL 407 CO -0.03 0.20 0.51 -0.26 0.02 0.00 0.00 177.57 178.01 2wot h PHE 408 N 0.97 0.95 -0.87 1.57 -1.00 -0.51 -1.55 116.94 116.50 2wot h PHE 408 Ca 0.26 0.03 0.00 0.00 2.81 0.00 0.00 57.97 61.07 2wot h PHE 408 Cb -0.06 -0.30 -0.04 0.00 3.61 0.00 0.00 35.95 39.15 2wot h PHE 408 CO -0.02 0.46 0.55 2.35 -1.61 0.00 0.00 178.31 180.05 2wot h TRP 409 N 0.92 1.12 -0.91 -0.55 7.01 -0.83 -0.87 115.95 121.84 2wot h TRP 409 Ca 0.38 0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.37 2wot h TRP 409 Cb 0.21 -0.37 -0.04 0.00 -2.10 0.00 0.00 29.16 26.86 2wot h TRP 409 CO -0.04 0.72 0.50 0.93 -2.79 0.00 0.00 178.44 177.76 2wot h GLU 410 N 1.19 1.26 0.05 2.65 5.08 -0.65 -2.60 114.58 121.55 2wot h GLU 410 Ca 0.32 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.53 2wot h GLU 410 Cb -0.09 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 28.91 2wot h GLU 410 CO -0.06 0.92 -0.02 0.82 -1.00 0.00 0.00 179.01 179.66 2wot h ILE 411 N 1.27 1.19 -0.72 3.13 2.04 -0.90 -3.29 117.51 120.23 2wot h ILE 411 Ca 0.32 -0.78 0.03 0.00 1.00 0.00 0.00 64.86 65.43 2wot h ILE 411 Cb 0.02 1.70 -0.04 0.00 -0.74 0.00 0.00 36.82 37.77 2wot h ILE 411 CO -0.05 0.20 0.48 0.00 0.00 0.00 0.00 178.15 178.77 2wot h ALA 412 N 0.52 1.57 -0.94 1.87 0.00 -1.06 -0.46 119.26 120.77 2wot h ALA 412 Ca -0.01 -0.04 0.20 0.00 0.00 0.00 0.00 54.91 55.06 2wot h ALA 412 Cb 0.37 -0.25 -0.08 0.00 0.00 0.00 0.00 17.79 17.83 2wot h ALA 412 CO 0.01 0.36 0.60 0.00 0.00 0.00 0.00 179.25 180.22 2wot h ARG 413 N 0.89 0.51 -0.14 0.00 3.08 -1.53 -2.02 114.38 115.17 2wot h ARG 413 Ca 0.28 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.30 2wot h ARG 413 Cb 0.04 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 29.97 2wot h ARG 413 CO -0.08 0.34 0.00 0.54 -1.07 0.00 0.00 179.97 179.70 2wot n ARG 414 N -4.58 1.85 -2.40 0.04 5.12 -0.19 -1.05 116.66 115.46 2wot n ARG 414 Ca 0.20 -1.26 -0.43 0.00 -1.93 0.00 0.00 57.85 54.43 2wot n ARG 414 Cb 0.65 -1.44 -0.02 0.00 -1.16 0.00 0.00 32.46 30.49 2wot n ARG 414 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2wot s SER 416 N 3.38 5.91 -0.12 0.00 0.15 0.33 -4.59 113.70 118.75 2wot s SER 416 Ca 0.58 -0.03 0.01 0.00 0.70 0.00 0.00 55.95 57.22 2wot s SER 416 Cb -0.14 -2.09 0.02 0.00 -1.71 0.00 0.00 66.02 62.09 2wot s SER 416 CO 0.29 -0.04 -0.14 -0.63 1.20 0.00 0.00 173.24 173.92 2wot s ILE 417 N 1.68 1.47 -1.69 6.45 1.01 -0.94 -4.66 121.20 124.51 2wot s ILE 417 Ca 0.07 -0.61 -0.01 0.00 0.00 0.00 0.00 60.65 60.10 2wot s ILE 417 Cb -0.16 -1.36 0.00 0.00 0.01 0.00 0.00 42.46 40.96 2wot s ILE 417 CO 0.09 0.44 0.17 0.61 0.00 0.00 0.00 174.94 176.26 2wot n GLY 418 N 4.37 -0.51 2.72 6.18 0.00 -1.26 -1.55 105.19 115.14 2wot n GLY 418 Ca -0.18 0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.88 2wot n GLY 418 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wot n GLY 419 N -1.15 0.68 3.61 -0.02 0.00 -1.26 -5.01 105.19 102.02 2wot n GLY 419 Ca -0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.45 2wot n GLY 419 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wot s ILE 420 N -2.85 5.03 0.33 -0.61 1.01 -0.60 -5.06 121.20 118.45 2wot s ILE 420 Ca 0.00 0.06 -0.19 0.00 0.00 0.00 0.00 60.65 60.53 2wot s ILE 420 Cb 0.00 -3.34 0.04 0.00 0.01 0.00 0.00 42.46 39.17 2wot s ILE 420 CO 0.00 0.36 0.76 -1.38 0.00 0.00 0.00 174.94 174.68 2wot s HIS 421 N 1.10 -0.05 0.20 3.97 -3.43 -1.26 -2.21 115.29 113.61 2wot s HIS 421 Ca 0.06 -0.51 0.04 0.00 -0.80 0.00 0.00 55.06 53.85 2wot s HIS 421 Cb -0.14 0.77 -0.03 0.00 -1.43 0.00 0.00 32.58 31.75 2wot s HIS 421 CO 0.04 -1.38 0.29 -1.21 -2.00 0.00 0.00 174.74 170.48 2wot s GLU 422 N -3.16 3.33 0.72 -0.38 8.01 -0.21 -5.06 118.70 121.95 2wot s GLU 422 Ca 0.13 -0.75 -0.13 0.00 0.01 0.00 0.00 54.97 54.24 2wot s GLU 422 Cb -0.05 -2.86 0.03 0.00 -4.31 0.00 0.00 34.13 26.94 2wot s GLU 422 CO 0.09 0.46 1.11 -0.51 0.01 0.00 0.00 175.26 176.42 2wot s ASP 423 N -3.62 4.68 0.19 -0.19 1.01 -1.26 -4.44 116.67 113.03 2wot s ASP 423 Ca 0.34 1.97 -0.31 0.00 0.71 0.00 0.00 52.55 55.25 2wot s ASP 423 Cb -0.10 -2.54 -0.10 0.00 1.01 0.00 0.00 42.92 41.19 2wot s ASP 423 CO 0.28 -1.92 1.52 -0.47 0.21 0.00 0.00 175.17 174.79 2wot s TYR 424 N -2.55 3.06 0.02 4.23 5.04 -1.26 -4.87 117.35 121.01 2wot s TYR 424 Ca 0.65 0.77 -0.02 0.00 -2.44 0.00 0.00 57.07 56.03 2wot s TYR 424 Cb -0.20 -3.88 -0.01 0.00 0.35 0.00 0.00 41.96 38.22 2wot s TYR 424 CO 0.48 -3.13 0.02 -0.65 -1.34 0.00 0.00 175.55 170.94 2wot s GLN 425 N 0.70 0.37 0.56 4.97 -1.52 -1.26 -5.08 119.66 118.40 2wot s GLN 425 Ca 0.67 -0.57 -0.18 0.00 -1.95 0.00 0.00 55.36 53.33 2wot s GLN 425 Cb -0.43 0.14 -0.05 0.00 -0.22 0.00 0.00 33.01 32.45 2wot s GLN 425 CO 0.35 -0.07 1.08 -0.51 -0.25 0.00 0.00 175.29 175.88 2wot s LEU 426 N -1.49 3.65 0.34 2.90 1.43 -1.26 -4.78 118.68 119.47 2wot s LEU 426 Ca -0.15 1.97 -0.29 0.00 -1.03 0.00 0.00 54.13 54.64 2wot s LEU 426 Cb -0.09 -4.56 -0.11 0.00 0.03 0.00 0.00 46.19 41.46 2wot s LEU 426 CO -0.01 -1.15 1.54 -2.16 0.23 0.00 0.00 176.35 174.81 2wot s PRO 427 N -3.63 4.10 -0.49 1.29 0.04 -1.26 -2.08 135.00 132.98 2wot s PRO 427 Ca 0.68 2.59 0.00 0.00 0.04 0.00 0.00 61.00 64.31 2wot s PRO 427 Cb -0.19 -2.98 0.00 0.00 0.04 0.00 0.00 34.50 31.37 2wot s PRO 427 CO 0.30 -0.59 0.00 0.66 0.04 0.00 0.00 177.00 177.41 2wot n TYR 428 N 1.14 0.00 -0.24 0.56 4.01 -1.26 -4.90 117.16 116.47 2wot n TYR 428 Ca 0.04 0.00 0.26 0.00 -0.16 0.00 0.00 57.90 58.04 2wot n TYR 428 Cb 0.38 -1.32 0.63 0.00 -0.31 0.00 0.00 39.34 38.72 2wot n TYR 428 CO 0.00 0.00 0.00 0.10 -0.46 0.00 0.00 176.86 176.50 2wot h TYR 429 N 0.00 0.28 -0.01 -0.72 -0.00 -1.72 -1.03 116.97 113.77 2wot h TYR 429 Ca -0.09 0.01 0.00 0.00 -0.00 0.00 0.00 58.73 58.64 2wot h TYR 429 Cb 0.50 -0.08 0.00 0.00 -0.00 0.00 0.00 36.73 37.15 2wot h TYR 429 CO 0.26 0.05 -0.09 -0.40 -0.00 0.00 0.00 178.16 177.97 2wot n ASP 430 N -4.39 0.61 0.00 0.10 5.75 -1.26 -4.41 116.55 112.95 2wot n ASP 430 Ca 0.21 -0.79 0.00 0.00 -0.01 0.00 0.00 54.79 54.20 2wot n ASP 430 Cb 0.91 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.97 2wot n ASP 430 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 2wot n LEU 431 N -0.77 0.00 -4.25 -2.12 4.77 -0.45 -5.11 117.00 109.08 2wot n LEU 431 Ca 0.16 -0.01 -0.14 0.00 -0.03 0.00 0.00 56.01 55.99 2wot n LEU 431 Cb 0.27 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.26 2wot n LEU 431 CO 0.22 0.00 -0.33 0.68 -1.33 0.00 0.00 177.39 176.63 2wot s VAL 432 N -0.48 0.72 0.93 4.08 -7.23 -0.86 -5.01 120.40 112.55 2wot s VAL 432 Ca 0.00 -1.99 -0.12 0.00 -1.81 0.00 0.00 61.98 58.06 2wot s VAL 432 Cb 0.00 -2.14 0.15 0.00 0.56 0.00 0.00 36.38 34.95 2wot s VAL 432 CO 0.00 -0.46 1.09 -2.84 -0.31 0.00 0.00 175.10 172.59 2wot s PRO 433 N -3.91 0.97 0.34 4.82 0.02 -1.26 -4.77 135.00 131.21 2wot s PRO 433 Ca 0.24 0.66 0.02 0.00 0.02 0.00 0.00 61.00 61.95 2wot s PRO 433 Cb 0.06 -1.79 0.60 0.00 0.02 0.00 0.00 34.50 33.39 2wot s PRO 433 CO 0.04 -2.40 1.98 0.77 -0.33 0.00 0.00 177.00 177.07 2wot h SER 434 N -1.66 0.79 -2.72 2.53 0.02 -1.97 -3.12 113.55 107.41 2wot h SER 434 Ca -0.51 -0.01 -0.61 0.00 -0.84 0.00 0.00 61.79 59.81 2wot h SER 434 Cb 1.30 -0.19 -0.42 0.00 0.14 0.00 0.00 62.40 63.24 2wot h SER 434 CO 0.56 0.55 -0.62 -0.67 -1.14 0.00 0.00 176.83 175.52 2wot n ASP 435 N -4.45 2.99 -4.79 3.07 2.03 -1.26 -5.10 116.55 109.05 2wot n ASP 435 Ca 0.09 -3.23 -0.36 0.00 0.52 0.00 0.00 54.79 51.81 2wot n ASP 435 Cb 0.09 -0.72 -0.05 0.00 -0.72 0.00 0.00 41.12 39.72 2wot n ASP 435 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2wot s PRO 436 N -1.71 4.30 0.80 -0.67 0.04 -1.18 -5.05 135.00 131.53 2wot s PRO 436 Ca 0.30 1.41 -0.12 0.00 0.04 0.00 0.00 61.00 62.64 2wot s PRO 436 Cb 0.03 -2.57 0.07 0.00 0.04 0.00 0.00 34.50 32.07 2wot s PRO 436 CO -0.12 -0.00 1.14 -1.54 0.04 0.00 0.00 177.00 176.52 2wot s SER 437 N -1.66 4.59 0.24 6.66 1.04 -1.26 -4.75 113.70 118.56 2wot s SER 437 Ca 0.56 0.95 -0.05 0.00 0.48 0.00 0.00 55.95 57.89 2wot s SER 437 Cb -0.19 -1.55 0.26 0.00 0.10 0.00 0.00 66.02 64.64 2wot s SER 437 CO 0.25 -1.87 1.79 0.58 0.98 0.00 0.00 173.24 174.97 2wot h VAL 438 N -1.03 1.25 -0.57 5.02 2.07 -1.96 -2.08 116.25 118.95 2wot h VAL 438 Ca -0.47 -0.84 -0.08 0.00 0.82 0.00 0.00 66.70 66.14 2wot h VAL 438 Cb 1.31 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 31.54 2wot h VAL 438 CO 0.64 0.33 0.04 -0.33 0.02 0.00 0.00 177.57 178.27 2wot h GLU 439 N 1.00 0.94 -0.47 1.57 4.39 -1.93 0.81 114.58 120.88 2wot h GLU 439 Ca 0.22 -0.26 -0.08 0.00 0.34 0.00 0.00 59.36 59.59 2wot h GLU 439 Cb 0.27 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.79 2wot h GLU 439 CO -0.01 0.91 -0.01 0.93 -1.16 0.00 0.00 179.01 179.67 2wot h GLU 440 N 0.88 0.84 -0.33 2.33 5.08 -1.88 -1.87 114.58 119.63 2wot h GLU 440 Ca 0.17 -0.27 -0.03 0.00 -1.00 0.00 0.00 59.36 58.23 2wot h GLU 440 Cb 0.46 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 2wot h GLU 440 CO 0.02 0.89 0.09 0.52 -1.00 0.00 0.00 179.01 179.53 2wot h MET 441 N 0.69 0.53 -0.54 2.33 2.86 -1.20 -3.07 114.93 116.53 2wot h MET 441 Ca 0.13 -0.12 0.02 0.00 -2.06 0.00 0.00 59.70 57.67 2wot h MET 441 Cb 0.52 -0.07 -0.04 0.00 0.06 0.00 0.00 31.60 32.07 2wot h MET 441 CO 0.03 0.58 0.32 -0.09 1.06 0.00 0.00 176.91 178.81 2wot h ARG 442 N 0.38 0.63 -0.79 1.72 2.43 -0.73 0.15 114.38 118.17 2wot h ARG 442 Ca 0.11 -0.04 0.04 0.00 -0.81 0.00 0.00 59.98 59.28 2wot h ARG 442 Cb 0.28 -0.14 -0.05 0.00 -0.42 0.00 0.00 29.97 29.64 2wot h ARG 442 CO -0.00 0.41 0.52 0.87 -1.51 0.00 0.00 179.97 180.26 2wot h LYS 443 N 0.64 0.93 0.00 0.20 1.57 -1.33 0.37 116.57 118.95 2wot h LYS 443 Ca 0.22 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.94 2wot h LYS 443 Cb 0.02 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.12 2wot h LYS 443 CO -0.09 0.61 -0.00 0.28 -0.57 0.00 0.00 179.45 179.68 2wot h VAL 444 N 0.95 1.44 0.24 0.50 2.07 -1.30 -0.93 116.25 119.22 2wot h VAL 444 Ca 0.32 -2.05 -0.34 0.00 0.82 0.00 0.00 66.70 65.45 2wot h VAL 444 Cb 0.08 2.71 0.03 0.00 -1.52 0.00 0.00 31.29 32.59 2wot h VAL 444 CO -0.10 0.48 -1.52 0.58 0.02 0.00 0.00 177.57 177.04 2wot h VAL 445 N -0.99 1.21 0.07 2.57 2.07 -0.68 -1.15 116.25 119.34 2wot h VAL 445 Ca -0.00 -2.64 -0.34 0.00 0.82 0.00 0.00 66.70 64.53 2wot h VAL 445 Cb 0.80 2.99 -0.03 0.00 -1.52 0.00 0.00 31.29 33.52 2wot h VAL 445 CO 0.00 0.82 -1.92 0.00 0.02 0.00 0.00 177.57 176.48 2wot h GLU 447 N -0.29 0.00 0.00 0.00 5.08 -1.47 -3.37 114.58 114.53 2wot h GLU 447 Ca -0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 2wot h GLU 447 Cb 1.80 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.05 2wot h GLU 447 CO -0.05 0.17 0.00 0.37 -1.00 0.00 0.00 179.01 178.50 2wot h GLN 448 N -1.00 0.00 -4.71 2.33 4.15 -1.21 -3.48 115.11 111.20 2wot h GLN 448 Ca -0.05 0.00 -0.33 0.00 0.77 0.00 0.00 58.65 59.04 2wot h GLN 448 Cb 0.56 0.00 0.10 0.00 0.21 0.00 0.00 27.48 28.35 2wot h GLN 448 CO -0.03 0.00 -0.55 1.63 -1.93 0.00 0.00 178.83 177.95 2wot n LYS 449 N -3.07 -6.00 -3.44 1.69 5.02 -0.52 -5.00 118.16 106.84 2wot n LYS 449 Ca 0.02 0.71 -0.32 0.00 -2.02 0.00 0.00 58.31 56.70 2wot n LYS 449 Cb 0.42 -5.31 -0.05 0.00 -0.02 0.00 0.00 35.03 30.07 2wot n LYS 449 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2wot s LEU 450 N -6.08 4.17 0.32 -0.35 1.43 -0.68 -5.00 118.68 112.49 2wot s LEU 450 Ca 0.43 0.86 0.04 0.00 -1.03 0.00 0.00 54.13 54.43 2wot s LEU 450 Cb -0.19 -3.63 -0.06 0.00 0.03 0.00 0.00 46.19 42.34 2wot s LEU 450 CO 0.53 -0.07 0.05 -0.13 0.23 0.00 0.00 176.35 176.96 2wot s ARG 451 N -2.86 1.64 0.39 1.70 1.81 -1.26 -4.48 118.95 115.90 2wot s ARG 451 Ca 0.46 -1.90 -0.26 0.00 -1.72 0.00 0.00 55.73 52.31 2wot s ARG 451 Cb -0.11 -0.90 -0.11 0.00 -0.45 0.00 0.00 34.95 33.38 2wot s ARG 451 CO 0.22 -0.16 1.30 -2.30 -0.68 0.00 0.00 175.30 173.68 2wot n PRO 452 N -0.68 2.06 -2.12 3.54 -0.02 -1.26 -4.91 135.00 131.62 2wot n PRO 452 Ca -0.03 0.73 -0.41 0.00 -2.02 0.00 0.00 63.50 61.77 2wot n PRO 452 Cb 0.66 -2.39 -0.03 0.00 -0.02 0.00 0.00 33.50 31.72 2wot n PRO 452 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2wot s ASN 453 N -0.42 6.78 -0.41 2.55 2.47 -1.26 -5.00 114.94 119.64 2wot s ASN 453 Ca 0.58 2.53 -0.11 0.00 0.42 0.00 0.00 52.86 56.28 2wot s ASN 453 Cb -0.52 -2.62 0.05 0.00 -1.45 0.00 0.00 41.25 36.71 2wot s ASN 453 CO 0.60 -0.62 0.26 -0.63 -3.72 0.00 0.00 177.10 173.00 2wot s ILE 454 N 0.09 4.62 0.54 -5.21 1.01 -1.26 -5.08 121.20 115.91 2wot s ILE 454 Ca 0.58 -1.06 -0.21 0.00 0.00 0.00 0.00 60.65 59.96 2wot s ILE 454 Cb -0.39 -3.69 -0.07 0.00 0.01 0.00 0.00 42.46 38.32 2wot s ILE 454 CO 0.40 -0.39 1.06 -2.65 0.00 0.00 0.00 174.94 173.36 2wot n PRO 455 N 5.02 1.20 0.26 2.79 -0.02 -1.26 -4.91 135.00 138.07 2wot n PRO 455 Ca -0.11 0.45 0.14 0.00 -2.02 0.00 0.00 63.50 61.96 2wot n PRO 455 Cb 0.45 -2.22 0.58 0.00 -0.02 0.00 0.00 33.50 32.29 2wot n PRO 455 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 2wot h ASN 456 N 0.99 0.00 0.42 2.55 2.35 -2.03 -2.90 115.58 116.97 2wot h ASN 456 Ca -0.48 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.27 2wot h ASN 456 Cb 1.34 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.71 2wot h ASN 456 CO 0.54 0.09 0.00 -2.11 -1.65 0.00 0.00 177.43 174.29 2wot n ARG 457 N -3.22 0.08 0.20 0.81 -4.01 -1.26 -1.45 116.66 107.81 2wot n ARG 457 Ca 0.00 0.40 0.12 0.00 -1.04 0.00 0.00 57.85 57.34 2wot n ARG 457 Cb 0.36 -1.68 0.23 0.00 -3.04 0.00 0.00 32.46 28.33 2wot n ARG 457 CO 0.00 0.00 0.00 -1.49 -3.04 0.00 0.00 177.63 173.10 2wot h TRP 458 N 0.00 0.00 0.00 2.89 4.06 -1.88 -3.19 115.95 117.83 2wot h TRP 458 Ca 0.00 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 60.91 2wot h TRP 458 Cb 0.21 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.37 2wot h TRP 458 CO 0.00 0.00 -0.19 1.96 -3.56 0.00 0.00 178.44 176.65 2wot h GLN 459 N 0.00 0.00 -0.01 0.49 7.50 -1.43 -2.88 115.11 118.78 2wot h GLN 459 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 2wot h GLN 459 Cb 0.93 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.46 2wot h GLN 459 CO 0.00 0.19 0.00 0.43 -1.50 0.00 0.00 178.83 177.95 2wot n SER 460 N -3.51 0.21 -3.75 1.46 7.64 -1.21 -4.75 113.62 109.71 2wot n SER 460 Ca -0.01 -1.18 -0.16 0.00 1.01 0.00 0.00 58.87 58.54 2wot n SER 460 Cb 0.35 -0.00 -0.16 0.00 -1.01 0.00 0.00 64.21 63.39 2wot n SER 460 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2wot h GLU 462 N 7.48 1.02 -0.32 0.00 4.57 -1.86 0.24 114.58 125.71 2wot h GLU 462 Ca -0.41 -0.08 -0.00 0.00 -1.18 0.00 0.00 59.36 57.69 2wot h GLU 462 Cb 1.12 -0.22 -0.02 0.00 -0.16 0.00 0.00 28.75 29.48 2wot h GLU 462 CO 0.43 0.71 0.19 0.00 -1.18 0.00 0.00 179.01 179.16 2wot h ALA 463 N 1.25 0.40 0.00 2.92 0.00 -1.97 -0.72 119.26 121.14 2wot h ALA 463 Ca 0.27 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 55.02 2wot h ALA 463 Cb -0.06 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 2wot h ALA 463 CO -0.05 -0.10 -0.53 -0.07 0.00 0.00 0.00 179.25 178.50 2wot h LEU 464 N 0.41 0.00 -0.35 0.00 3.38 -1.70 -1.79 115.31 115.25 2wot h LEU 464 Ca 0.11 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 2wot h LEU 464 Cb 0.01 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2wot h LEU 464 CO -0.02 0.53 0.08 -0.09 0.09 0.00 0.00 178.44 179.03 2wot h ARG 465 N 0.00 0.56 -0.41 1.13 2.43 -0.27 -0.67 114.38 117.15 2wot h ARG 465 Ca -0.01 -0.14 -0.05 0.00 -0.81 0.00 0.00 59.98 58.97 2wot h ARG 465 Cb 0.95 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.41 2wot h ARG 465 CO 0.07 0.61 0.05 0.28 -1.51 0.00 0.00 179.97 179.47 2wot h VAL 466 N 0.41 1.25 -0.52 0.20 2.07 -0.95 -2.26 116.25 116.44 2wot h VAL 466 Ca 0.11 -0.92 -0.01 0.00 0.82 0.00 0.00 66.70 66.70 2wot h VAL 466 Cb 0.30 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 2wot h VAL 466 CO 0.00 0.32 0.30 0.24 0.02 0.00 0.00 177.57 178.45 2wot h MET 467 N 0.55 0.72 -0.97 1.57 2.86 -1.30 -1.68 114.93 116.68 2wot h MET 467 Ca 0.12 -0.08 0.01 0.00 -2.06 0.00 0.00 59.70 57.69 2wot h MET 467 Cb 0.41 -0.15 -0.05 0.00 0.06 0.00 0.00 31.60 31.88 2wot h MET 467 CO 0.01 0.54 0.62 0.00 1.06 0.00 0.00 176.91 179.15 2wot h ALA 468 N 1.14 1.23 -0.45 6.32 0.00 -1.04 -1.19 119.26 125.27 2wot h ALA 468 Ca 0.19 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 2wot h ALA 468 Cb 0.02 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.40 2wot h ALA 468 CO -0.03 0.64 0.05 -0.22 0.00 0.00 0.00 179.25 179.68 2wot h LYS 469 N 1.32 0.76 -0.48 0.00 3.64 -1.17 -2.46 116.57 118.18 2wot h LYS 469 Ca 0.35 -0.22 0.02 0.00 -1.27 0.00 0.00 60.65 59.54 2wot h LYS 469 Cb -0.13 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.58 2wot h LYS 469 CO -0.07 0.80 0.28 0.82 -2.27 0.00 0.00 179.45 179.01 2wot h ILE 470 N 0.62 1.04 -0.03 2.00 2.04 -0.88 -1.90 117.51 120.40 2wot h ILE 470 Ca 0.13 -0.19 0.03 0.00 1.00 0.00 0.00 64.86 65.83 2wot h ILE 470 Cb 0.43 0.43 -0.04 0.00 -0.74 0.00 0.00 36.82 36.90 2wot h ILE 470 CO 0.01 0.10 -0.18 0.24 0.00 0.00 0.00 178.15 178.33 2wot h MET 471 N 0.56 -0.27 -0.89 2.37 2.86 -1.11 -0.47 114.93 117.99 2wot h MET 471 Ca 0.19 0.02 0.11 0.00 -2.06 0.00 0.00 59.70 57.96 2wot h MET 471 Cb 0.02 0.06 -0.08 0.00 0.06 0.00 0.00 31.60 31.66 2wot h MET 471 CO -0.09 -0.18 0.52 0.00 1.06 0.00 0.00 176.91 178.22 2wot h ARG 472 N -0.28 0.81 -0.00 1.72 3.08 -1.25 -1.19 114.38 117.26 2wot h ARG 472 Ca 0.06 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.06 2wot h ARG 472 Cb 0.36 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.23 2wot h ARG 472 CO -0.19 0.53 -0.02 0.39 -1.07 0.00 0.00 179.97 179.62 2wot n GLU 473 N -4.72 0.94 0.02 0.04 1.02 -0.73 -1.80 120.64 115.39 2wot n GLU 473 Ca 0.16 -0.18 0.11 0.00 -0.02 0.00 0.00 57.16 57.23 2wot n GLU 473 Cb 0.33 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.25 2wot n GLU 473 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2wot n TRP 475 N -1.85 0.00 -1.68 0.00 8.01 -0.75 -3.79 117.44 117.39 2wot n TRP 475 Ca 0.02 0.00 -0.41 0.00 -1.31 0.00 0.00 57.50 55.80 2wot n TRP 475 Cb 0.42 0.00 0.01 0.00 -2.01 0.00 0.00 31.31 29.73 2wot n TRP 475 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.69 177.34 2wot n TYR 476 N 0.76 1.86 -0.21 -5.99 4.01 -1.23 -4.90 117.16 111.46 2wot n TYR 476 Ca 0.09 0.52 -0.01 0.00 -0.16 0.00 0.00 57.90 58.33 2wot n TYR 476 Cb 0.40 -2.33 0.20 0.00 -0.31 0.00 0.00 39.34 37.29 2wot n TYR 476 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2wot h ALA 477 N 1.90 1.33 -1.87 -0.72 0.00 -1.96 -3.39 119.26 114.55 2wot h ALA 477 Ca -0.47 -0.11 -0.58 0.00 0.00 0.00 0.00 54.91 53.74 2wot h ALA 477 Cb 1.31 -0.29 -0.09 0.00 0.00 0.00 0.00 17.79 18.72 2wot h ALA 477 CO 0.59 0.54 0.72 1.21 0.00 0.00 0.00 179.25 182.31 2wot s ASN 478 N -6.41 6.59 0.47 0.00 3.84 -1.26 -4.58 114.94 113.58 2wot s ASN 478 Ca -0.11 0.35 0.18 0.00 0.21 0.00 0.00 52.86 53.50 2wot s ASN 478 Cb 0.17 -2.49 1.17 0.00 -0.55 0.00 0.00 41.25 39.55 2wot s ASN 478 CO 0.80 -1.08 1.97 1.23 -2.79 0.00 0.00 177.10 177.23 2wot h GLY 479 N 10.69 0.40 2.00 1.21 0.00 -1.94 -1.66 103.07 113.77 2wot h GLY 479 Ca -0.23 -0.11 -0.01 0.00 0.00 0.00 0.00 47.33 46.98 2wot h GLY 479 CO 1.05 0.05 -0.05 0.00 0.00 0.00 0.00 176.54 177.60 2wot h ALA 480 N 1.71 1.12 0.00 3.60 0.00 -1.94 -1.88 119.26 121.87 2wot h ALA 480 Ca 0.28 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2wot h ALA 480 Cb 0.76 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2wot h ALA 480 CO -0.06 0.06 -0.14 0.00 0.00 0.00 0.00 179.25 179.11 2wot n ALA 481 N -2.17 2.45 -1.66 0.00 0.00 -0.62 -4.94 120.51 113.58 2wot n ALA 481 Ca -0.02 -0.08 -0.33 0.00 0.00 0.00 0.00 53.44 53.02 2wot n ALA 481 Cb 0.20 -1.40 0.01 0.00 0.00 0.00 0.00 19.45 18.27 2wot n ALA 481 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2wot s ARG 482 N -3.10 3.28 0.81 0.00 0.52 -0.71 -4.96 118.95 114.79 2wot s ARG 482 Ca 0.10 1.19 -0.11 0.00 -0.52 0.00 0.00 55.73 56.39 2wot s ARG 482 Cb 0.13 -2.03 0.08 0.00 0.52 0.00 0.00 34.95 33.66 2wot s ARG 482 CO 0.62 -0.84 1.13 -0.51 0.02 0.00 0.00 175.30 175.72 2wot s LEU 483 N -4.58 3.03 0.45 2.53 1.43 -0.67 -5.02 118.68 115.85 2wot s LEU 483 Ca 0.63 2.06 -0.03 0.00 -1.03 0.00 0.00 54.13 55.76 2wot s LEU 483 Cb -0.16 -4.55 -0.03 0.00 0.03 0.00 0.00 46.19 41.48 2wot s LEU 483 CO 0.38 -2.46 0.72 0.42 0.23 0.00 0.00 176.35 175.64 2wot s THR 484 N -2.62 4.80 0.25 5.49 -4.23 -1.26 -4.95 115.64 113.12 2wot s THR 484 Ca 0.66 -0.07 -0.05 0.00 -1.18 0.00 0.00 61.69 61.05 2wot s THR 484 Cb -0.21 -3.80 0.19 0.00 1.34 0.00 0.00 72.50 70.01 2wot s THR 484 CO 0.54 -0.70 1.84 0.00 -0.54 0.00 0.00 174.62 175.77 2wot h ALA 485 N 0.36 1.17 -0.62 3.99 0.00 -1.94 -2.09 119.26 120.13 2wot h ALA 485 Ca -0.48 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.23 2wot h ALA 485 Cb 1.22 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 2wot h ALA 485 CO 0.61 0.63 0.18 1.25 0.00 0.00 0.00 179.25 181.92 2wot h LEU 486 N 1.13 0.92 -0.51 0.00 5.85 -1.91 -0.30 115.31 120.48 2wot h LEU 486 Ca 0.27 -0.22 -0.03 0.00 0.84 0.00 0.00 57.88 58.75 2wot h LEU 486 Cb 0.12 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.88 2wot h LEU 486 CO -0.03 0.89 0.20 -0.09 -0.34 0.00 0.00 178.44 179.07 2wot h ARG 487 N 0.90 0.77 -0.60 1.25 9.65 -1.91 -0.87 114.38 123.56 2wot h ARG 487 Ca 0.20 -0.14 -0.02 0.00 -1.10 0.00 0.00 59.98 58.92 2wot h ARG 487 Cb 0.31 -0.12 -0.03 0.00 -1.39 0.00 0.00 29.97 28.74 2wot h ARG 487 CO -0.00 0.68 0.31 0.82 2.80 0.00 0.00 179.97 184.57 2wot h ILE 488 N 0.69 1.21 -0.69 1.20 2.04 -1.16 -1.15 117.51 119.65 2wot h ILE 488 Ca 0.17 -0.56 0.03 0.00 1.00 0.00 0.00 64.86 65.50 2wot h ILE 488 Cb 0.20 0.47 -0.04 0.00 -0.74 0.00 0.00 36.82 36.70 2wot h ILE 488 CO -0.01 0.23 0.44 0.50 0.00 0.00 0.00 178.15 179.30 2wot h LYS 489 N 0.82 0.83 -0.20 2.37 3.64 -0.83 -1.24 116.57 121.96 2wot h LYS 489 Ca 0.21 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 2wot h LYS 489 Cb 0.09 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 2wot h LYS 489 CO -0.03 0.55 0.09 0.87 -2.27 0.00 0.00 179.45 178.66 2wot h LYS 490 N 0.86 0.30 -0.04 1.90 6.56 -0.77 -0.40 116.57 124.97 2wot h LYS 490 Ca 0.27 -0.05 0.01 0.00 -1.06 0.00 0.00 60.65 59.82 2wot h LYS 490 Cb 0.00 -0.05 -0.01 0.00 -0.57 0.00 0.00 32.23 31.61 2wot h LYS 490 CO -0.10 0.34 0.01 1.15 -2.06 0.00 0.00 179.45 178.78 2wot h THR 491 N 0.19 0.98 -0.14 -0.16 2.02 -1.04 -0.40 112.91 114.36 2wot h THR 491 Ca 0.07 -0.01 -0.10 0.00 0.77 0.00 0.00 66.41 67.14 2wot h THR 491 Cb 0.14 0.95 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 2wot h THR 491 CO -0.01 0.00 -0.34 -0.07 0.37 0.00 0.00 175.52 175.48 2wot h LEU 492 N 0.03 0.29 -0.61 2.58 3.38 -1.20 -0.59 115.31 119.18 2wot h LEU 492 Ca 0.02 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 57.83 2wot h LEU 492 Cb 0.02 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 2wot h LEU 492 CO -0.03 0.61 0.15 0.28 0.09 0.00 0.00 178.44 179.55 2wot h SER 493 N 0.24 0.92 -0.60 -0.43 0.02 -0.85 0.36 113.55 113.21 2wot h SER 493 Ca 0.03 -0.23 -0.01 0.00 -0.84 0.00 0.00 61.79 60.74 2wot h SER 493 Cb 0.72 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.99 2wot h SER 493 CO 0.05 0.91 0.34 -0.61 -1.14 0.00 0.00 176.83 176.38 2wot h GLN 494 N 0.88 0.83 -0.57 3.45 4.15 -0.66 -1.90 115.11 121.29 2wot h GLN 494 Ca 0.19 -0.09 -0.09 0.00 0.77 0.00 0.00 58.65 59.43 2wot h GLN 494 Cb 0.34 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 27.85 2wot h GLN 494 CO 0.00 0.63 -0.00 1.25 -1.93 0.00 0.00 178.83 178.78 2wot h LEU 495 N 0.81 1.00 -1.10 -2.39 5.85 -0.84 -2.96 115.31 115.67 2wot h LEU 495 Ca 0.21 -0.31 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 2wot h LEU 495 Cb 0.03 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.75 2wot h LEU 495 CO -0.04 1.06 0.45 -1.28 -0.34 0.00 0.00 178.44 178.29 2wot h SER 496 N 0.90 0.95 -0.28 1.25 0.87 -0.05 -1.97 113.55 115.22 2wot h SER 496 Ca 0.16 -0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.65 2wot h SER 496 Cb 0.55 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.26 2wot h SER 496 CO 0.03 0.74 0.15 1.56 -0.53 0.00 0.00 176.83 178.78 2wot h GLN 497 N 1.08 0.40 -0.26 2.24 4.20 -1.28 -2.98 115.11 118.50 2wot h GLN 497 Ca 0.28 -0.05 -0.08 0.00 0.06 0.00 0.00 58.65 58.86 2wot h GLN 497 Cb -0.01 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.68 2wot h GLN 497 CO -0.05 0.35 -0.18 1.96 -0.67 0.00 0.00 178.83 180.24 2wot h GLN 498 N 0.34 0.46 0.03 1.46 4.20 -1.29 -3.32 115.11 116.98 2wot h GLN 498 Ca 0.10 -0.15 -0.00 0.00 0.06 0.00 0.00 58.65 58.66 2wot h GLN 498 Cb 0.07 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.81 2wot h GLN 498 CO -0.02 0.63 -0.01 0.93 -0.67 0.00 0.00 178.83 179.69 2wot h GLU 499 N 0.42 -0.04 0.00 1.46 4.39 -1.37 -3.52 114.58 115.93 2wot h GLU 499 Ca 0.07 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.77 2wot h GLU 499 Cb 0.56 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.22 2wot h GLU 499 CO 0.04 0.54 0.00 0.41 -1.16 0.00 0.00 179.01 178.84