#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h13 n GLU 241 N 0.00 1.71 -2.26 -0.52 2.13 -1.26 -4.94 120.64 115.50 3h13 n GLU 241 Ca 0.00 0.52 -0.38 0.00 0.66 0.00 0.00 57.16 57.96 3h13 n GLU 241 Cb 0.00 -2.79 -0.02 0.00 0.27 0.00 0.00 31.44 28.90 3h13 n GLU 241 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 3h13 s GLU 242 N 5.68 4.03 -0.01 5.31 2.02 -1.26 -4.98 118.70 129.48 3h13 s GLU 242 Ca 1.02 1.88 -0.01 0.00 0.02 0.00 0.00 54.97 57.88 3h13 s GLU 242 Cb -0.63 -2.68 0.01 0.00 0.10 0.00 0.00 34.13 30.93 3h13 s GLU 242 CO 0.45 -0.35 0.04 0.50 0.02 0.00 0.00 175.26 175.91 3h13 s ARG 243 N -2.30 0.03 0.33 1.61 3.52 -1.26 -1.71 118.95 119.17 3h13 s ARG 243 Ca 0.57 0.07 -0.29 0.00 -0.13 0.00 0.00 55.73 55.95 3h13 s ARG 243 Cb -0.32 -0.01 -0.11 0.00 -1.56 0.00 0.00 34.95 32.95 3h13 s ARG 243 CO 0.40 -0.02 1.51 0.71 -0.81 0.00 0.00 175.30 177.08 3h13 s TYR 244 N 0.15 2.73 0.08 5.12 2.02 -0.61 -4.88 117.35 121.95 3h13 s TYR 244 Ca -0.01 1.03 -0.31 0.00 -0.37 0.00 0.00 57.07 57.41 3h13 s TYR 244 Cb -0.02 -3.99 -0.08 0.00 -0.40 0.00 0.00 41.96 37.47 3h13 s TYR 244 CO -0.00 -3.08 1.60 0.21 -1.57 0.00 0.00 175.55 172.71 3h13 s LYS 245 N -1.29 4.21 -0.44 -0.62 2.20 -1.26 -4.85 119.74 117.69 3h13 s LYS 245 Ca 0.57 2.29 0.04 0.00 -0.36 0.00 0.00 55.97 58.51 3h13 s LYS 245 Cb -0.46 -3.52 0.17 0.00 -1.51 0.00 0.00 37.83 32.52 3h13 s LYS 245 CO 0.54 -0.69 0.37 -1.33 -0.36 0.00 0.00 175.35 173.89 3h13 n MET 246 N 5.29 0.40 0.00 4.03 2.81 -1.26 -4.80 117.12 123.59 3h13 n MET 246 Ca 0.15 -3.33 0.00 0.00 -1.81 0.00 0.00 57.70 52.72 3h13 n MET 246 Cb 0.41 -1.72 0.00 0.00 -0.71 0.00 0.00 33.22 31.20 3h13 n MET 246 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 3h13 n LYS 247 N 2.65 4.40 -1.11 0.03 4.01 -1.26 -4.22 118.16 122.65 3h13 n LYS 247 Ca 0.28 0.00 -0.34 0.00 -0.51 0.00 0.00 58.31 57.74 3h13 n LYS 247 Cb 0.47 -0.59 0.11 0.00 -0.51 0.00 0.00 35.03 34.51 3h13 n LYS 247 CO 0.00 0.00 0.00 -1.13 -1.11 0.00 0.00 177.40 175.16 3h13 n SER 248 N -0.35 -0.06 -3.89 4.39 3.41 -1.26 -4.93 113.62 110.93 3h13 n SER 248 Ca 0.00 0.55 -0.30 0.00 -0.26 0.00 0.00 58.87 58.86 3h13 n SER 248 Cb 0.00 -1.38 -0.16 0.00 -0.26 0.00 0.00 64.21 62.41 3h13 n SER 248 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3h13 s LYS 249 N -3.64 1.40 0.86 4.33 1.02 -1.26 -2.46 119.74 119.99 3h13 s LYS 249 Ca 0.69 -0.92 -0.12 0.00 0.02 0.00 0.00 55.97 55.64 3h13 s LYS 249 Cb -0.30 -2.49 0.11 0.00 -0.52 0.00 0.00 37.83 34.63 3h13 s LYS 249 CO 0.55 -0.64 1.14 -1.25 -0.92 0.00 0.00 175.35 174.24 3h13 s PRO 250 N 1.48 1.54 0.53 -1.68 0.04 -1.26 -5.03 135.00 130.61 3h13 s PRO 250 Ca -0.04 0.30 0.19 0.00 0.04 0.00 0.00 61.00 61.49 3h13 s PRO 250 Cb -0.18 -1.88 1.38 0.00 0.04 0.00 0.00 34.50 33.85 3h13 s PRO 250 CO -0.07 -1.92 2.16 -0.07 0.04 0.00 0.00 177.00 177.13 3h13 h LEU 251 N -1.30 0.00 0.00 -3.56 3.38 -0.51 -3.42 115.31 109.90 3h13 h LEU 251 Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.48 3h13 h LEU 251 Cb 1.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.07 3h13 h LEU 251 CO 0.63 0.02 0.00 0.61 0.09 0.00 0.00 178.44 179.78 3h13 n GLY 252 N -1.44 -1.74 3.84 0.83 0.00 -1.26 -2.07 105.19 103.36 3h13 n GLY 252 Ca -0.03 -1.16 -0.37 0.00 0.00 0.00 0.00 46.02 44.45 3h13 n GLY 252 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h13 s ILE 253 N -2.66 5.03 -0.30 -0.61 1.01 -1.25 -1.26 121.20 121.16 3h13 s ILE 253 Ca 0.00 0.78 0.01 0.00 0.00 0.00 0.00 60.65 61.44 3h13 s ILE 253 Cb 0.00 -3.70 0.07 0.00 0.01 0.00 0.00 42.46 38.83 3h13 s ILE 253 CO 0.00 0.52 -0.02 0.00 0.00 0.00 0.00 174.94 175.43 3h13 s LEU 255 N 1.12 4.11 -0.17 0.00 2.96 0.57 -1.67 118.68 125.60 3h13 s LEU 255 Ca -0.03 0.72 0.01 0.00 -0.22 0.00 0.00 54.13 54.61 3h13 s LEU 255 Cb -0.20 -2.81 0.02 0.00 0.50 0.00 0.00 46.19 43.70 3h13 s LEU 255 CO -0.04 -0.27 -0.20 -0.63 -1.32 0.00 0.00 176.35 173.89 3h13 s ILE 256 N 2.04 2.11 -0.29 6.68 1.01 0.05 -0.49 121.20 132.30 3h13 s ILE 256 Ca 0.26 -0.93 0.01 0.00 0.00 0.00 0.00 60.65 59.99 3h13 s ILE 256 Cb -0.16 -1.88 0.06 0.00 0.01 0.00 0.00 42.46 40.50 3h13 s ILE 256 CO 0.10 0.54 -0.03 -0.63 0.00 0.00 0.00 174.94 174.91 3h13 s ILE 257 N 1.19 2.58 -0.39 2.92 1.01 -0.03 -0.08 121.20 128.40 3h13 s ILE 257 Ca 0.02 -1.64 -0.03 0.00 0.00 0.00 0.00 60.65 59.00 3h13 s ILE 257 Cb -0.14 -2.56 0.10 0.00 0.01 0.00 0.00 42.46 39.87 3h13 s ILE 257 CO -0.10 -0.17 0.17 -0.62 0.00 0.00 0.00 174.94 174.22 3h13 s ASP 258 N 1.19 5.20 0.00 3.58 2.15 -0.25 -0.96 116.67 127.59 3h13 s ASP 258 Ca -0.04 -1.87 0.24 0.00 0.43 0.00 0.00 52.55 51.30 3h13 s ASP 258 Cb -0.20 -1.81 0.78 0.00 -0.30 0.00 0.00 42.92 41.39 3h13 s ASP 258 CO -0.04 -0.49 1.58 0.00 -0.17 0.00 0.00 175.17 176.05 3h13 n ILE 260 N 0.45 0.78 0.00 0.00 5.41 -1.25 -4.68 119.36 120.07 3h13 n ILE 260 Ca 0.17 -0.29 0.00 0.00 1.00 0.00 0.00 62.75 63.63 3h13 n ILE 260 Cb 0.38 -1.03 0.00 0.00 -0.71 0.00 0.00 39.64 38.28 3h13 n ILE 260 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3h13 n GLY 261 N 2.80 1.18 0.30 7.39 0.00 -1.26 -4.88 105.19 110.72 3h13 n GLY 261 Ca -0.24 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.81 3h13 n GLY 261 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3h13 n ASN 262 N 0.00 2.46 0.30 1.61 0.23 -1.25 -4.62 115.26 113.99 3h13 n ASN 262 Ca 0.00 -2.07 0.17 0.00 -0.53 0.00 0.00 54.58 52.15 3h13 n ASN 262 Cb 0.00 -0.13 0.95 0.00 -2.08 0.00 0.00 39.78 38.52 3h13 n ASN 262 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 3h13 h GLU 263 N 0.90 0.00 -2.68 -3.83 4.22 -1.92 -3.27 114.58 108.00 3h13 h GLU 263 Ca 0.00 0.00 -0.28 0.00 0.08 0.00 0.00 59.36 59.16 3h13 h GLU 263 Cb 0.65 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.84 3h13 h GLU 263 CO 0.01 0.03 -0.32 2.41 -2.18 0.00 0.00 179.01 178.96 3h13 n THR 264 N -3.51 -0.38 -0.85 0.32 -1.04 -1.26 -1.70 114.28 105.86 3h13 n THR 264 Ca -0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 3h13 n THR 264 Cb 0.13 -1.71 0.00 0.00 -1.82 0.00 0.00 70.33 66.93 3h13 n THR 264 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3h13 n GLU 265 N -2.45 -1.15 -0.03 -2.82 -0.58 -1.26 -4.86 120.64 107.49 3h13 n GLU 265 Ca -0.15 0.29 -0.09 0.00 -0.42 0.00 0.00 57.16 56.78 3h13 n GLU 265 Cb 0.55 -4.59 -0.03 0.00 -0.57 0.00 0.00 31.44 26.80 3h13 n GLU 265 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 3h13 h LEU 266 N 0.00 -0.10 0.00 -4.62 3.38 -1.71 0.16 115.31 112.42 3h13 h LEU 266 Ca 0.00 0.04 -0.12 0.00 0.09 0.00 0.00 57.88 57.89 3h13 h LEU 266 Cb 0.58 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 3h13 h LEU 266 CO 0.00 -0.03 -0.90 -0.07 0.09 0.00 0.00 178.44 177.53 3h13 h LEU 267 N 0.03 0.00 -0.11 1.67 3.38 -1.89 -1.74 115.31 116.65 3h13 h LEU 267 Ca 0.08 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 3h13 h LEU 267 Cb 0.11 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 3h13 h LEU 267 CO -0.15 0.47 0.04 -0.09 0.09 0.00 0.00 178.44 178.81 3h13 h ARG 268 N 0.00 0.16 -0.51 1.13 2.43 -1.85 -0.26 114.38 115.48 3h13 h ARG 268 Ca -0.07 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 58.99 3h13 h ARG 268 Cb 1.42 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.92 3h13 h ARG 268 CO 0.05 0.26 -0.01 -0.44 -1.51 0.00 0.00 179.97 178.32 3h13 h ASP 269 N 0.02 0.90 0.27 -3.80 3.32 -0.74 -1.12 116.42 115.27 3h13 h ASP 269 Ca 0.04 -0.31 -0.01 0.00 0.02 0.00 0.00 57.03 56.76 3h13 h ASP 269 Cb 0.16 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.47 3h13 h ASP 269 CO -0.00 0.99 -0.13 0.74 -1.72 0.00 0.00 179.24 179.12 3h13 h THR 270 N 0.78 0.76 0.00 0.35 2.02 -1.18 -0.80 112.91 114.84 3h13 h THR 270 Ca 0.14 -0.24 -0.10 0.00 0.77 0.00 0.00 66.41 66.99 3h13 h THR 270 Cb 0.54 0.90 -0.01 0.00 -1.74 0.00 0.00 68.15 67.83 3h13 h THR 270 CO 0.03 0.05 -0.49 -0.26 0.37 0.00 0.00 175.52 175.22 3h13 h PHE 271 N -0.49 0.00 -0.47 3.16 0.04 -1.09 -1.49 116.94 116.61 3h13 h PHE 271 Ca -0.04 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.70 3h13 h PHE 271 Cb 0.37 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.50 3h13 h PHE 271 CO -0.03 0.49 0.15 1.15 -0.60 0.00 0.00 178.31 179.48 3h13 h THR 272 N 0.00 1.22 0.00 -1.55 2.02 -1.07 -0.80 112.91 112.74 3h13 h THR 272 Ca -0.00 -0.74 -0.03 0.00 0.77 0.00 0.00 66.41 66.41 3h13 h THR 272 Cb 0.87 0.82 -0.00 0.00 -1.74 0.00 0.00 68.15 68.09 3h13 h THR 272 CO 0.06 0.27 -0.15 -1.28 0.37 0.00 0.00 175.52 174.79 3h13 h SER 273 N 0.62 0.00 1.42 4.18 0.87 -0.67 -1.89 113.55 118.08 3h13 h SER 273 Ca 0.15 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.71 3h13 h SER 273 Cb 0.26 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.22 3h13 h SER 273 CO -0.01 0.15 -0.01 0.18 -0.53 0.00 0.00 176.83 176.62 3h13 n LEU 274 N -4.16 0.73 0.00 2.23 4.77 -0.60 -4.92 117.00 115.05 3h13 n LEU 274 Ca -0.02 0.56 0.00 0.00 -0.03 0.00 0.00 56.01 56.52 3h13 n LEU 274 Cb 0.23 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 3h13 n LEU 274 CO 0.34 -0.16 0.00 0.61 -1.33 0.00 0.00 177.39 176.85 3h13 n GLY 275 N 1.33 1.58 3.95 -0.72 0.00 -0.71 -4.85 105.19 105.76 3h13 n GLY 275 Ca 0.06 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.83 3h13 n GLY 275 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3h13 s TYR 276 N -2.00 3.48 -0.43 1.61 1.51 -0.35 -0.57 117.35 120.59 3h13 s TYR 276 Ca 0.00 0.22 -0.16 0.00 -1.01 0.00 0.00 57.07 56.11 3h13 s TYR 276 Cb 0.00 -1.76 0.03 0.00 -0.11 0.00 0.00 41.96 40.12 3h13 s TYR 276 CO 0.00 0.34 0.41 -2.00 -1.11 0.00 0.00 175.55 173.19 3h13 s GLU 277 N -3.79 3.04 -0.04 -0.62 2.12 -0.39 -4.35 118.70 114.68 3h13 s GLU 277 Ca 0.37 -0.95 -0.17 0.00 0.36 0.00 0.00 54.97 54.58 3h13 s GLU 277 Cb -0.10 -4.01 -0.05 0.00 0.26 0.00 0.00 34.13 30.23 3h13 s GLU 277 CO 0.31 -0.89 0.48 0.08 -0.54 0.00 0.00 175.26 174.70 3h13 s VAL 278 N 1.97 5.05 -0.13 3.70 1.01 -1.26 -1.16 120.40 129.57 3h13 s VAL 278 Ca 0.09 0.98 -0.00 0.00 0.00 0.00 0.00 61.98 63.05 3h13 s VAL 278 Cb -0.19 -3.81 0.03 0.00 0.00 0.00 0.00 36.38 32.41 3h13 s VAL 278 CO 0.11 0.45 -0.07 -1.10 0.00 0.00 0.00 175.10 174.49 3h13 s GLN 279 N -0.23 1.52 -0.02 2.72 -0.21 -0.67 -4.96 119.66 117.80 3h13 s GLN 279 Ca 0.26 -0.33 0.05 0.00 0.02 0.00 0.00 55.36 55.36 3h13 s GLN 279 Cb -0.16 -1.71 -0.03 0.00 1.00 0.00 0.00 33.01 32.11 3h13 s GLN 279 CO 0.13 -0.31 -0.17 0.21 -2.12 0.00 0.00 175.29 173.03 3h13 s LYS 280 N 1.68 2.34 0.08 2.91 2.20 -1.26 -0.77 119.74 126.92 3h13 s LYS 280 Ca 0.04 -0.80 0.06 0.00 -0.36 0.00 0.00 55.97 54.91 3h13 s LYS 280 Cb -0.13 -2.28 -0.03 0.00 -1.51 0.00 0.00 37.83 33.88 3h13 s LYS 280 CO -0.08 0.59 -0.16 -0.06 -0.36 0.00 0.00 175.35 175.28 3h13 s PHE 281 N -0.75 1.39 0.24 4.03 0.40 0.89 -4.97 117.98 119.21 3h13 s PHE 281 Ca 0.12 -0.44 0.07 0.00 -0.60 0.00 0.00 56.93 56.08 3h13 s PHE 281 Cb -0.10 -0.78 -0.05 0.00 0.51 0.00 0.00 43.02 42.59 3h13 s PHE 281 CO 0.01 0.10 -0.09 -0.51 0.70 0.00 0.00 175.22 175.43 3h13 s LEU 282 N -1.75 2.50 -1.29 -0.37 1.43 -1.26 -1.09 118.68 116.85 3h13 s LEU 282 Ca 0.01 -1.12 -0.23 0.00 -1.03 0.00 0.00 54.13 51.76 3h13 s LEU 282 Cb -0.10 -0.63 0.02 0.00 0.03 0.00 0.00 46.19 45.51 3h13 s LEU 282 CO 0.03 -0.27 0.54 0.00 0.23 0.00 0.00 176.35 176.88 3h13 n HIS 283 N -0.48 -1.47 -4.21 0.29 1.44 -1.22 -4.97 115.22 104.59 3h13 n HIS 283 Ca -0.06 0.29 -0.35 0.00 -2.01 0.00 0.00 57.72 55.58 3h13 n HIS 283 Cb 0.62 -2.97 -0.08 0.00 0.12 0.00 0.00 29.99 27.68 3h13 n HIS 283 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 3h13 s LEU 284 N -7.26 3.83 0.87 2.39 1.43 -1.26 -4.93 118.68 113.75 3h13 s LEU 284 Ca 0.35 0.23 -0.11 0.00 -1.03 0.00 0.00 54.13 53.58 3h13 s LEU 284 Cb -0.18 -1.92 0.16 0.00 0.03 0.00 0.00 46.19 44.28 3h13 s LEU 284 CO 0.95 0.38 1.20 -0.94 0.23 0.00 0.00 176.35 178.17 3h13 s SER 285 N -1.00 3.65 0.21 2.29 1.04 -1.26 -0.93 113.70 117.70 3h13 s SER 285 Ca 0.15 0.13 -0.09 0.00 0.48 0.00 0.00 55.95 56.61 3h13 s SER 285 Cb -0.12 -0.33 0.22 0.00 0.10 0.00 0.00 66.02 65.90 3h13 s SER 285 CO 0.04 -2.37 1.83 0.24 0.98 0.00 0.00 173.24 173.96 3h13 h MET 286 N -1.23 0.78 -0.72 4.02 0.00 -1.91 0.12 114.93 115.99 3h13 h MET 286 Ca -0.42 -0.05 -0.04 0.00 0.00 0.00 0.00 59.70 59.19 3h13 h MET 286 Cb 1.25 -0.17 -0.03 0.00 0.00 0.00 0.00 31.60 32.65 3h13 h MET 286 CO 0.42 0.51 0.30 1.25 0.00 0.00 0.00 176.91 179.39 3h13 h HIS 287 N 0.80 1.08 -0.68 -0.22 -0.00 -1.93 -1.43 115.15 112.77 3h13 h HIS 287 Ca 0.30 -0.08 -0.04 0.00 -0.00 0.00 0.00 60.37 60.55 3h13 h HIS 287 Cb 0.10 -0.33 -0.03 0.00 -0.00 0.00 0.00 27.41 27.16 3h13 h HIS 287 CO -0.05 0.83 0.25 0.78 -0.00 0.00 0.00 177.93 179.74 3h13 h GLY 288 N 1.02 1.11 0.95 5.26 0.00 -1.62 -1.10 103.07 108.69 3h13 h GLY 288 Ca 0.24 -0.62 0.01 0.00 0.00 0.00 0.00 47.33 46.96 3h13 h GLY 288 CO -0.02 0.58 0.13 -2.22 0.00 0.00 0.00 176.54 175.01 3h13 h ILE 289 N 0.97 1.03 -0.72 2.60 2.04 -0.27 -1.49 117.51 121.67 3h13 h ILE 289 Ca 0.22 -0.09 -0.03 0.00 1.00 0.00 0.00 64.86 65.96 3h13 h ILE 289 Cb 0.24 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 37.01 3h13 h ILE 289 CO -0.01 0.05 0.31 0.28 0.00 0.00 0.00 178.15 178.78 3h13 h SER 290 N 0.27 0.97 0.03 1.72 0.02 -1.12 0.17 113.55 115.61 3h13 h SER 290 Ca 0.09 -0.16 0.01 0.00 -0.84 0.00 0.00 61.79 60.89 3h13 h SER 290 Cb -0.01 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.27 3h13 h SER 290 CO -0.04 0.86 -0.09 -0.61 -1.14 0.00 0.00 176.83 175.80 3h13 h GLN 291 N 1.02 -0.17 -0.35 3.45 5.75 -0.91 0.75 115.11 124.65 3h13 h GLN 291 Ca 0.24 0.01 -0.08 0.00 -0.15 0.00 0.00 58.65 58.67 3h13 h GLN 291 Cb 0.17 0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.75 3h13 h GLN 291 CO -0.02 -0.11 -0.11 0.82 -2.65 0.00 0.00 178.83 176.75 3h13 h ILE 292 N -0.17 1.28 -0.63 2.39 2.04 -1.08 -2.11 117.51 119.22 3h13 h ILE 292 Ca 0.03 -1.19 0.01 0.00 1.00 0.00 0.00 64.86 64.70 3h13 h ILE 292 Cb 0.20 1.33 -0.03 0.00 -0.74 0.00 0.00 36.82 37.58 3h13 h ILE 292 CO -0.07 0.39 0.41 -0.07 0.00 0.00 0.00 178.15 178.81 3h13 h LEU 293 N 0.48 0.71 -0.99 1.44 3.38 -0.53 -1.12 115.31 118.67 3h13 h LEU 293 Ca 0.08 -0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.09 3h13 h LEU 293 Cb 0.63 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 41.15 3h13 h LEU 293 CO 0.04 0.51 0.64 1.23 0.09 0.00 0.00 178.44 180.95 3h13 h GLY 294 N 0.84 1.47 1.39 0.83 0.00 -0.71 -0.82 103.07 106.08 3h13 h GLY 294 Ca 0.24 -0.48 -0.14 0.00 0.00 0.00 0.00 47.33 46.94 3h13 h GLY 294 CO -0.06 0.38 -0.42 1.46 0.00 0.00 0.00 176.54 177.91 3h13 h GLN 295 N 1.21 0.66 0.00 4.80 4.20 -0.69 -3.01 115.11 122.29 3h13 h GLN 295 Ca 0.41 -0.35 -0.13 0.00 0.06 0.00 0.00 58.65 58.64 3h13 h GLN 295 Cb 0.07 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.84 3h13 h GLN 295 CO -0.14 0.96 -0.60 0.74 -0.67 0.00 0.00 178.83 179.11 3h13 h PHE 296 N 0.54 0.00 0.00 2.96 -1.00 -0.60 -2.87 116.94 115.97 3h13 h PHE 296 Ca 0.04 0.00 -0.06 0.00 2.81 0.00 0.00 57.97 60.77 3h13 h PHE 296 Cb 0.95 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.50 3h13 h PHE 296 CO 0.04 0.60 -0.27 0.00 -1.61 0.00 0.00 178.31 177.08 3h13 h ALA 297 N 1.40 1.17 0.00 2.45 0.00 -1.11 -3.17 119.26 119.99 3h13 h ALA 297 Ca -0.01 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3h13 h ALA 297 Cb 1.17 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3h13 h ALA 297 CO 0.08 0.33 -0.65 0.00 0.00 0.00 0.00 179.25 179.01 3h13 n MET 299 N -1.75 2.50 0.16 0.00 2.00 -1.12 -4.86 117.12 114.06 3h13 n MET 299 Ca 0.04 0.90 0.13 0.00 0.00 0.00 0.00 57.70 58.78 3h13 n MET 299 Cb 0.38 -2.73 0.41 0.00 0.00 0.00 0.00 33.22 31.28 3h13 n MET 299 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 175.97 174.97 3h13 h PRO 300 N 6.79 0.00 0.00 0.03 0.13 -1.93 -3.16 132.00 133.86 3h13 h PRO 300 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 3h13 h PRO 300 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 3h13 h PRO 300 CO 0.93 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.85 3h13 n GLU 301 N -2.56 0.07 0.11 0.86 0.00 -1.26 -1.70 120.64 116.16 3h13 n GLU 301 Ca 0.04 0.42 0.04 0.00 0.00 0.00 0.00 57.16 57.66 3h13 n GLU 301 Cb 0.39 -1.68 0.45 0.00 0.00 0.00 0.00 31.44 30.61 3h13 n GLU 301 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 3h13 h HIS 302 N 0.00 0.28 -1.13 -1.84 3.86 -1.86 -1.81 115.15 112.66 3h13 h HIS 302 Ca 0.00 -0.01 0.31 0.00 -1.16 0.00 0.00 60.37 59.51 3h13 h HIS 302 Cb 0.18 -0.09 -0.09 0.00 1.06 0.00 0.00 27.41 28.47 3h13 h HIS 302 CO 0.00 0.28 0.74 -0.09 0.86 0.00 0.00 177.93 179.72 3h13 h ARG 303 N 0.29 0.25 -0.10 2.45 1.12 -1.44 0.44 114.38 117.38 3h13 h ARG 303 Ca 0.07 -0.02 0.00 0.00 -1.11 0.00 0.00 59.98 58.92 3h13 h ARG 303 Cb 0.16 -0.06 0.00 0.00 -0.01 0.00 0.00 29.97 30.06 3h13 h ARG 303 CO 0.00 0.17 0.00 -0.25 -3.11 0.00 0.00 179.97 176.78 3h13 n ASP 304 N -4.56 2.22 -4.71 -3.80 8.00 -0.68 -4.94 116.55 108.08 3h13 n ASP 304 Ca 0.28 -1.75 -0.24 0.00 0.71 0.00 0.00 54.79 53.79 3h13 n ASP 304 Cb 1.06 -0.05 -0.06 0.00 -0.02 0.00 0.00 41.12 42.04 3h13 n ASP 304 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3h13 s TYR 305 N -1.89 2.90 -0.85 1.24 4.12 0.15 -4.78 117.35 118.24 3h13 s TYR 305 Ca 0.34 -0.14 0.24 0.00 0.02 0.00 0.00 57.07 57.53 3h13 s TYR 305 Cb 0.20 -1.35 0.23 0.00 -1.52 0.00 0.00 41.96 39.53 3h13 s TYR 305 CO 0.31 0.55 1.20 -0.25 0.02 0.00 0.00 175.55 177.38 3h13 n ASP 306 N -0.64 0.63 -3.43 2.29 8.00 -1.05 -4.97 116.55 117.38 3h13 n ASP 306 Ca -0.08 -0.33 -0.06 0.00 0.71 0.00 0.00 54.79 55.02 3h13 n ASP 306 Cb 0.57 0.53 0.00 0.00 -0.02 0.00 0.00 41.12 42.20 3h13 n ASP 306 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3h13 s SER 307 N -3.38 -0.11 -0.04 -2.24 1.04 -0.88 -4.13 113.70 103.96 3h13 s SER 307 Ca 0.08 -0.77 -0.03 0.00 0.48 0.00 0.00 55.95 55.71 3h13 s SER 307 Cb 0.16 0.69 0.02 0.00 0.10 0.00 0.00 66.02 66.98 3h13 s SER 307 CO 0.76 -1.32 0.09 0.12 0.98 0.00 0.00 173.24 173.87 3h13 s PHE 308 N -2.94 -0.10 -0.05 5.02 5.36 -0.71 -3.94 117.98 120.62 3h13 s PHE 308 Ca 0.15 0.27 0.04 0.00 -0.96 0.00 0.00 56.93 56.42 3h13 s PHE 308 Cb -0.04 -0.01 0.00 0.00 -0.34 0.00 0.00 43.02 42.63 3h13 s PHE 308 CO 0.07 -0.07 -0.15 0.08 -1.46 0.00 0.00 175.22 173.69 3h13 s VAL 309 N 0.32 1.28 -0.08 3.12 1.01 -0.80 -0.47 120.40 124.79 3h13 s VAL 309 Ca -0.02 -0.62 0.01 0.00 0.00 0.00 0.00 61.98 61.35 3h13 s VAL 309 Cb -0.03 -1.12 0.02 0.00 0.00 0.00 0.00 36.38 35.25 3h13 s VAL 309 CO -0.01 0.38 -0.08 0.00 0.00 0.00 0.00 175.10 175.38 3h13 s VAL 311 N 1.14 2.64 -0.09 0.00 1.01 0.35 -0.75 120.40 124.71 3h13 s VAL 311 Ca -0.06 -0.79 0.01 0.00 0.00 0.00 0.00 61.98 61.14 3h13 s VAL 311 Cb -0.14 -2.10 0.02 0.00 0.00 0.00 0.00 36.38 34.16 3h13 s VAL 311 CO -0.02 0.52 -0.09 -0.22 0.00 0.00 0.00 175.10 175.30 3h13 s LEU 312 N 0.67 1.38 -0.18 3.92 2.96 -0.39 -0.85 118.68 126.19 3h13 s LEU 312 Ca -0.08 -0.28 0.01 0.00 -0.22 0.00 0.00 54.13 53.56 3h13 s LEU 312 Cb -0.16 -0.79 0.03 0.00 0.50 0.00 0.00 46.19 45.78 3h13 s LEU 312 CO 0.02 -0.05 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.19 3h13 s VAL 313 N 1.20 1.68 0.08 1.68 1.01 -0.13 -0.56 120.40 125.35 3h13 s VAL 313 Ca -0.05 -0.91 -0.26 0.00 0.00 0.00 0.00 61.98 60.77 3h13 s VAL 313 Cb -0.14 -1.67 0.08 0.00 0.00 0.00 0.00 36.38 34.64 3h13 s VAL 313 CO -0.02 0.29 0.70 -0.55 0.00 0.00 0.00 175.10 175.51 3h13 s SER 314 N 1.40 -0.52 0.57 3.32 0.15 -0.48 -0.48 113.70 117.66 3h13 s SER 314 Ca 0.01 0.11 -0.15 0.00 0.70 0.00 0.00 55.95 56.62 3h13 s SER 314 Cb -0.15 0.53 -0.05 0.00 -1.71 0.00 0.00 66.02 64.63 3h13 s SER 314 CO -0.09 -0.81 1.02 -0.13 1.20 0.00 0.00 173.24 174.42 3h13 s ARG 315 N -3.17 3.63 0.00 5.44 0.52 -1.26 -1.54 118.95 122.58 3h13 s ARG 315 Ca 0.00 1.00 0.00 0.00 -0.52 0.00 0.00 55.73 56.21 3h13 s ARG 315 Cb -0.01 -2.09 0.00 0.00 0.52 0.00 0.00 34.95 33.38 3h13 s ARG 315 CO -0.09 -0.54 0.00 0.41 0.02 0.00 0.00 175.30 175.11 3h13 n GLY 316 N -1.60 1.15 0.00 -3.53 0.00 0.36 -0.97 105.19 100.60 3h13 n GLY 316 Ca 0.07 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.33 3h13 n GLY 316 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h13 n GLY 317 N 0.00 4.06 3.70 -0.02 0.00 -0.65 -4.27 105.19 108.01 3h13 n GLY 317 Ca 0.00 -2.19 -0.42 0.00 0.00 0.00 0.00 46.02 43.41 3h13 n GLY 317 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3h13 s SER 318 N -0.89 7.00 -1.08 1.61 1.04 -1.26 -3.00 113.70 117.13 3h13 s SER 318 Ca 0.00 2.03 0.00 0.00 0.48 0.00 0.00 55.95 58.46 3h13 s SER 318 Cb 0.00 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.55 3h13 s SER 318 CO 0.00 -0.56 0.00 0.00 0.98 0.00 0.00 173.24 173.66 3h13 n GLN 319 N 4.42 -0.88 -3.59 4.02 6.02 -1.26 -4.99 117.38 121.12 3h13 n GLN 319 Ca 0.10 0.83 -0.13 0.00 -0.01 0.00 0.00 57.00 57.79 3h13 n GLN 319 Cb 0.45 -4.81 -0.05 0.00 1.02 0.00 0.00 30.24 26.85 3h13 n GLN 319 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 3h13 s SER 320 N -2.74 -0.37 0.03 1.08 1.04 -1.16 -0.48 113.70 111.10 3h13 s SER 320 Ca 0.00 -0.01 0.07 0.00 0.48 0.00 0.00 55.95 56.50 3h13 s SER 320 Cb 0.00 0.48 -0.02 0.00 0.10 0.00 0.00 66.02 66.58 3h13 s SER 320 CO 0.00 -0.77 -0.22 0.68 0.98 0.00 0.00 173.24 173.92 3h13 s VAL 321 N -2.93 1.74 -1.13 5.02 -7.23 -0.64 -1.64 120.40 113.59 3h13 s VAL 321 Ca -0.03 -1.16 0.22 0.00 -1.81 0.00 0.00 61.98 59.20 3h13 s VAL 321 Cb -0.00 -1.49 -0.18 0.00 0.56 0.00 0.00 36.38 35.27 3h13 s VAL 321 CO -0.06 0.29 0.97 -1.22 -0.31 0.00 0.00 175.10 174.77 3h13 n TYR 322 N 1.99 0.00 -4.81 2.82 4.01 -0.14 -0.83 117.16 120.20 3h13 n TYR 322 Ca -0.17 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.57 3h13 n TYR 322 Cb 0.53 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.54 3h13 n TYR 322 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3h13 n GLY 323 N 1.49 2.22 0.60 2.72 0.00 -1.25 -1.41 105.19 109.56 3h13 n GLY 323 Ca 0.05 -0.45 0.08 0.00 0.00 0.00 0.00 46.02 45.70 3h13 n GLY 323 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3h13 n VAL 324 N 0.00 0.33 -2.40 1.61 0.24 -0.11 -4.41 118.33 113.60 3h13 n VAL 324 Ca 0.00 -0.40 -0.37 0.00 -2.04 0.00 0.00 64.34 61.52 3h13 n VAL 324 Cb 0.00 0.31 -0.03 0.00 -1.47 0.00 0.00 33.84 32.65 3h13 n VAL 324 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 3h13 s ASP 325 N -1.31 6.55 -0.74 -1.34 1.01 -0.50 -4.98 116.67 115.37 3h13 s ASP 325 Ca 0.28 2.20 -0.19 0.00 0.71 0.00 0.00 52.55 55.56 3h13 s ASP 325 Cb 0.15 -2.60 0.13 0.00 1.01 0.00 0.00 42.92 41.61 3h13 s ASP 325 CO 0.22 -0.64 0.87 -1.10 0.21 0.00 0.00 175.17 174.72 3h13 s GLN 326 N -2.47 3.30 0.24 8.23 -1.52 -1.26 -4.89 119.66 121.30 3h13 s GLN 326 Ca 0.59 -1.57 -0.11 0.00 -1.95 0.00 0.00 55.36 52.32 3h13 s GLN 326 Cb -0.26 -4.48 -0.01 0.00 -0.22 0.00 0.00 33.01 28.04 3h13 s GLN 326 CO 0.33 -1.61 0.42 -0.08 -0.25 0.00 0.00 175.29 174.10 3h13 s THR 327 N 2.46 0.00 0.00 -0.19 -1.32 -1.26 -5.03 115.64 110.30 3h13 s THR 327 Ca 0.20 -1.51 0.00 0.00 -1.21 0.00 0.00 61.69 59.17 3h13 s THR 327 Cb -0.15 -2.27 0.00 0.00 -1.51 0.00 0.00 72.50 68.57 3h13 s THR 327 CO -0.00 0.00 0.23 1.41 -2.21 0.00 0.00 174.62 174.05 3h13 n HIS 328 N -0.37 0.00 -3.98 9.09 8.25 -1.26 -4.88 115.22 122.07 3h13 n HIS 328 Ca -0.01 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.14 3h13 n HIS 328 Cb 0.63 0.00 -0.15 0.00 1.12 0.00 0.00 29.99 31.58 3h13 n HIS 328 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3h13 s SER 329 N -0.50 4.42 0.59 0.41 1.04 -1.26 -4.99 113.70 113.41 3h13 s SER 329 Ca 0.00 -1.71 0.04 0.00 0.48 0.00 0.00 55.95 54.76 3h13 s SER 329 Cb 0.00 -1.43 0.10 0.00 0.10 0.00 0.00 66.02 64.79 3h13 s SER 329 CO 0.00 -0.31 0.77 0.61 0.98 0.00 0.00 173.24 175.29 3h13 n GLY 330 N 4.45 1.26 3.63 7.32 0.00 -1.26 -5.01 105.19 115.57 3h13 n GLY 330 Ca -0.04 -2.11 -0.43 0.00 0.00 0.00 0.00 46.02 43.44 3h13 n GLY 330 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3h13 s LEU 331 N 0.00 3.85 0.30 0.99 2.96 -0.01 -4.76 118.68 122.01 3h13 s LEU 331 Ca 0.54 1.27 -0.30 0.00 -0.22 0.00 0.00 54.13 55.42 3h13 s LEU 331 Cb -0.04 -3.54 -0.12 0.00 0.50 0.00 0.00 46.19 43.00 3h13 s LEU 331 CO 0.35 -1.17 1.50 -2.65 -1.32 0.00 0.00 176.35 173.06 3h13 n PRO 332 N 7.49 2.47 -0.09 0.98 -0.02 -1.26 -1.63 135.00 142.93 3h13 n PRO 332 Ca 0.16 0.87 -0.01 0.00 -2.02 0.00 0.00 63.50 62.50 3h13 n PRO 332 Cb 0.46 -2.60 0.24 0.00 -0.02 0.00 0.00 33.50 31.59 3h13 n PRO 332 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3h13 h LEU 333 N 4.14 0.69 -1.73 2.45 3.38 -1.14 -1.81 115.31 121.28 3h13 h LEU 333 Ca -0.47 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.37 3h13 h LEU 333 Cb 1.25 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.81 3h13 h LEU 333 CO 0.74 0.67 -0.13 1.12 0.09 0.00 0.00 178.44 180.93 3h13 h HIS 334 N 0.73 0.00 -0.01 1.13 2.07 -1.91 0.52 115.15 117.68 3h13 h HIS 334 Ca 0.17 0.00 -0.14 0.00 -2.85 0.00 0.00 60.37 57.55 3h13 h HIS 334 Cb 0.24 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.20 3h13 h HIS 334 CO 0.01 0.13 -0.63 0.45 -3.07 0.00 0.00 177.93 174.82 3h13 h HIS 335 N 0.00 0.05 0.47 6.12 3.86 -1.70 -1.65 115.15 122.29 3h13 h HIS 335 Ca -0.00 -0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.17 3h13 h HIS 335 Cb 0.44 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.90 3h13 h HIS 335 CO 0.00 0.66 -0.22 0.82 0.86 0.00 0.00 177.93 180.04 3h13 h ILE 336 N 0.02 0.26 -0.02 2.45 2.04 -0.68 -3.06 117.51 118.52 3h13 h ILE 336 Ca -0.01 -0.55 0.01 0.00 1.00 0.00 0.00 64.86 65.31 3h13 h ILE 336 Cb 1.13 0.40 -0.00 0.00 -0.74 0.00 0.00 36.82 37.60 3h13 h ILE 336 CO 0.08 0.05 0.02 0.08 0.00 0.00 0.00 178.15 178.38 3h13 h ARG 337 N -1.06 0.00 -0.64 2.37 0.11 -1.44 -1.06 114.38 112.67 3h13 h ARG 337 Ca -0.06 0.00 0.05 0.00 0.10 0.00 0.00 59.98 60.07 3h13 h ARG 337 Cb 0.56 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.61 3h13 h ARG 337 CO 0.11 0.00 0.42 -0.09 0.10 0.00 0.00 179.97 180.51 3h13 h ARG 338 N 0.00 0.64 0.00 0.08 2.43 -1.24 -1.41 114.38 114.89 3h13 h ARG 338 Ca 0.01 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3h13 h ARG 338 Cb 0.04 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 29.45 3h13 h ARG 338 CO -0.00 0.43 -0.02 0.52 -1.51 0.00 0.00 179.97 179.39 3h13 h MET 339 N 0.66 0.00 -0.45 0.20 2.86 -1.09 -3.05 114.93 114.07 3h13 h MET 339 Ca 0.27 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.91 3h13 h MET 339 Cb 0.22 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.88 3h13 h MET 339 CO -0.08 0.02 0.00 1.19 1.06 0.00 0.00 176.91 179.10 3h13 n PHE 340 N -3.14 0.70 -1.66 -0.22 3.01 -0.54 -4.28 117.46 111.33 3h13 n PHE 340 Ca -0.01 -0.54 -0.32 0.00 1.01 0.00 0.00 57.45 57.59 3h13 n PHE 340 Cb 0.24 -0.06 0.05 0.00 -0.01 0.00 0.00 39.48 39.70 3h13 n PHE 340 CO 0.00 0.00 0.00 -1.64 1.01 0.00 0.00 176.76 176.13 3h13 s MET 341 N -1.22 2.82 0.34 -1.08 -1.94 -1.15 -4.61 119.30 112.45 3h13 s MET 341 Ca 0.33 1.20 0.13 0.00 -1.71 0.00 0.00 55.69 55.64 3h13 s MET 341 Cb 0.19 -1.96 1.05 0.00 2.01 0.00 0.00 34.83 36.11 3h13 s MET 341 CO 0.20 -1.21 1.66 0.78 -0.01 0.00 0.00 175.02 176.44 3h13 h GLY 342 N -0.32 1.99 0.74 -0.03 0.00 -1.74 0.60 103.07 104.31 3h13 h GLY 342 Ca -0.45 -0.21 -0.06 0.00 0.00 0.00 0.00 47.33 46.61 3h13 h GLY 342 CO 0.55 -0.49 -0.14 1.29 0.00 0.00 0.00 176.54 177.75 3h13 h ASP 343 N 0.30 0.37 1.45 0.19 2.03 -1.91 -2.44 116.42 116.41 3h13 h ASP 343 Ca 0.72 -0.48 0.00 0.00 -0.73 0.00 0.00 57.03 56.53 3h13 h ASP 343 Cb 1.62 -0.10 0.00 0.00 -0.83 0.00 0.00 39.33 40.02 3h13 h ASP 343 CO -0.62 0.78 -0.16 0.77 -1.03 0.00 0.00 179.24 178.98 3h13 h SER 344 N -0.03 0.00 -2.12 4.15 4.64 -1.65 -3.38 113.55 115.16 3h13 h SER 344 Ca 0.02 -0.04 -0.57 0.00 -0.47 0.00 0.00 61.79 60.73 3h13 h SER 344 Cb 0.68 0.00 -0.39 0.00 -0.31 0.00 0.00 62.40 62.38 3h13 h SER 344 CO 0.04 0.02 -1.04 0.00 -0.87 0.00 0.00 176.83 174.97 3h13 h PRO 346 N 4.46 0.81 0.00 0.00 0.11 -1.64 -2.49 132.00 133.25 3h13 h PRO 346 Ca 0.13 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.19 3h13 h PRO 346 Cb 0.88 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.80 3h13 h PRO 346 CO 0.46 0.53 0.00 1.88 -0.21 0.00 0.00 178.00 180.66 3h13 h TYR 347 N 0.83 0.00 -0.14 0.65 -1.99 -1.91 -1.30 116.97 113.11 3h13 h TYR 347 Ca 0.42 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.15 3h13 h TYR 347 Cb 0.48 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.21 3h13 h TYR 347 CO -0.00 0.00 0.00 1.28 -0.00 0.00 0.00 178.16 179.44 3h13 n LEU 348 N -2.45 2.22 -4.67 3.88 4.77 -0.94 -3.90 117.00 115.91 3h13 n LEU 348 Ca -0.01 -1.65 -0.45 0.00 -0.03 0.00 0.00 56.01 53.87 3h13 n LEU 348 Cb 0.08 -0.09 -0.03 0.00 -2.33 0.00 0.00 43.42 41.04 3h13 n LEU 348 CO 0.14 0.53 1.06 0.00 -1.33 0.00 0.00 177.39 177.79 3h13 n ALA 349 N 0.22 1.08 -0.93 -1.18 0.00 -0.49 -0.56 120.51 118.64 3h13 n ALA 349 Ca 0.06 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.93 3h13 n ALA 349 Cb 0.29 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.46 3h13 n ALA 349 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h13 n GLY 350 N 2.57 0.52 3.52 0.00 0.00 -1.26 -5.00 105.19 105.53 3h13 n GLY 350 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 3h13 n GLY 350 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h13 s LYS 351 N -0.45 2.25 0.05 1.61 1.02 0.28 -5.02 119.74 119.48 3h13 s LYS 351 Ca 0.00 -0.89 -0.30 0.00 0.02 0.00 0.00 55.97 54.79 3h13 s LYS 351 Cb 0.00 -2.31 -0.08 0.00 -0.52 0.00 0.00 37.83 34.92 3h13 s LYS 351 CO 0.00 0.56 1.67 -1.25 -0.92 0.00 0.00 175.35 175.41 3h13 s PRO 352 N -1.51 4.19 -0.32 -1.68 0.04 -1.26 -4.79 135.00 129.68 3h13 s PRO 352 Ca 0.16 2.32 -0.01 0.00 0.04 0.00 0.00 61.00 63.52 3h13 s PRO 352 Cb -0.11 -3.68 0.07 0.00 0.04 0.00 0.00 34.50 30.82 3h13 s PRO 352 CO 0.07 -0.76 0.03 0.15 0.04 0.00 0.00 177.00 176.53 3h13 s LYS 353 N 2.91 2.22 -0.21 4.56 1.02 0.19 -1.73 119.74 128.70 3h13 s LYS 353 Ca 0.74 -1.45 -0.08 0.00 0.02 0.00 0.00 55.97 55.20 3h13 s LYS 353 Cb -0.39 -3.23 -0.04 0.00 -0.52 0.00 0.00 37.83 33.65 3h13 s LYS 353 CO 0.32 -0.74 0.09 -1.64 -0.92 0.00 0.00 175.35 172.47 3h13 s MET 354 N 1.18 3.93 -0.13 1.68 -1.94 0.38 -0.91 119.30 123.49 3h13 s MET 354 Ca -0.01 -0.35 0.02 0.00 -1.71 0.00 0.00 55.69 53.64 3h13 s MET 354 Cb -0.20 -3.32 0.01 0.00 2.01 0.00 0.00 34.83 33.32 3h13 s MET 354 CO -0.03 0.11 -0.21 -0.06 -0.01 0.00 0.00 175.02 174.82 3h13 s PHE 355 N 0.83 2.67 -0.21 -0.03 0.40 0.69 0.03 117.98 122.36 3h13 s PHE 355 Ca 0.05 -1.21 0.01 0.00 -0.60 0.00 0.00 56.93 55.18 3h13 s PHE 355 Cb -0.13 -1.80 0.05 0.00 0.51 0.00 0.00 43.02 41.64 3h13 s PHE 355 CO 0.02 -0.54 -0.11 -0.06 0.70 0.00 0.00 175.22 175.24 3h13 s PHE 356 N 0.69 2.62 -0.11 0.36 0.08 0.07 -0.80 117.98 120.89 3h13 s PHE 356 Ca -0.10 -1.77 0.03 0.00 0.12 0.00 0.00 56.93 55.21 3h13 s PHE 356 Cb -0.16 -1.72 0.01 0.00 -0.57 0.00 0.00 43.02 40.58 3h13 s PHE 356 CO 0.01 -0.78 -0.19 0.42 -0.10 0.00 0.00 175.22 174.58 3h13 s ILE 357 N 1.32 1.73 -0.32 0.64 1.01 0.19 -1.26 121.20 124.51 3h13 s ILE 357 Ca -0.03 -0.80 -0.05 0.00 0.00 0.00 0.00 60.65 59.77 3h13 s ILE 357 Cb -0.17 -1.54 0.04 0.00 0.01 0.00 0.00 42.46 40.80 3h13 s ILE 357 CO -0.08 0.49 0.07 -1.58 0.00 0.00 0.00 174.94 173.84 3h13 s GLN 358 N 0.74 2.62 0.01 2.79 2.00 0.27 0.33 119.66 128.42 3h13 s GLN 358 Ca -0.11 -1.16 0.02 0.00 -2.00 0.00 0.00 55.36 52.10 3h13 s GLN 358 Cb -0.16 -3.37 -0.04 0.00 0.80 0.00 0.00 33.01 30.24 3h13 s GLN 358 CO 0.02 -0.63 -0.00 1.21 -0.50 0.00 0.00 175.29 175.39 3h13 s ASN 359 N 1.38 5.09 -0.15 6.67 2.47 0.89 -1.38 114.94 129.91 3h13 s ASN 359 Ca -0.02 -0.03 0.02 0.00 0.42 0.00 0.00 52.86 53.25 3h13 s ASN 359 Cb -0.19 -1.31 0.01 0.00 -1.45 0.00 0.00 41.25 38.31 3h13 s ASN 359 CO 0.02 0.27 -0.20 -0.31 -3.72 0.00 0.00 177.10 173.15 3h13 s TYR 360 N -1.10 2.61 0.22 0.43 1.51 -0.59 -1.42 117.35 119.02 3h13 s TYR 360 Ca 0.20 -1.39 0.10 0.00 -1.01 0.00 0.00 57.07 54.97 3h13 s TYR 360 Cb -0.12 -1.80 -0.05 0.00 -0.11 0.00 0.00 41.96 39.89 3h13 s TYR 360 CO 0.11 -0.66 -0.19 0.08 -1.11 0.00 0.00 175.55 173.78 3h13 s VAL 361 N 1.01 2.14 -0.11 0.71 1.01 -0.00 -0.49 120.40 124.66 3h13 s VAL 361 Ca -0.03 -2.20 -0.26 0.00 0.00 0.00 0.00 61.98 59.50 3h13 s VAL 361 Cb -0.15 -2.11 -0.02 0.00 0.00 0.00 0.00 36.38 34.10 3h13 s VAL 361 CO -0.06 -0.39 0.82 -0.69 0.00 0.00 0.00 175.10 174.79 3h13 s VAL 362 N -2.40 4.92 -0.73 2.92 1.01 -1.26 0.04 120.40 124.91 3h13 s VAL 362 Ca 0.24 1.65 -0.26 0.00 0.00 0.00 0.00 61.98 63.61 3h13 s VAL 362 Cb -0.05 -4.14 -0.11 0.00 0.00 0.00 0.00 36.38 32.08 3h13 s VAL 362 CO 0.10 0.11 2.36 -0.94 0.00 0.00 0.00 175.10 176.73 3h13 s SER 363 N 1.03 4.14 0.21 3.32 1.04 -1.26 -4.99 113.70 117.20 3h13 s SER 363 Ca 0.40 0.24 -0.10 0.00 0.48 0.00 0.00 55.95 56.97 3h13 s SER 363 Cb -0.18 -2.54 0.29 0.00 0.10 0.00 0.00 66.02 63.70 3h13 s SER 363 CO 0.16 -3.53 1.28 1.57 0.98 0.00 0.00 173.24 173.70 3h13 n HIS 396 N 17.54 0.17 0.21 5.02 -0.00 -1.26 -5.16 115.22 131.73 3h13 n HIS 396 Ca 0.43 1.01 0.10 0.00 -0.00 0.00 0.00 57.72 59.26 3h13 n HIS 396 Cb 0.46 -0.90 0.51 0.00 -0.00 0.00 0.00 29.99 30.07 3h13 n HIS 396 CO 0.00 0.00 0.00 2.89 -0.00 0.00 0.00 176.34 179.23 3h13 n ARG 397 N -5.28 0.14 -0.42 1.57 1.85 -1.26 -1.82 116.66 111.43 3h13 n ARG 397 Ca 0.11 0.57 0.11 0.00 -1.00 0.00 0.00 57.85 57.64 3h13 n ARG 397 Cb 0.37 -1.89 0.33 0.00 -1.05 0.00 0.00 32.46 30.22 3h13 n ARG 397 CO 0.00 0.00 0.00 -0.85 -0.01 0.00 0.00 177.63 176.77 3h13 n GLU 398 N -2.17 2.95 -1.72 2.89 0.28 -1.26 -2.95 120.64 118.66 3h13 n GLU 398 Ca -0.00 -2.72 -0.31 0.00 -0.16 0.00 0.00 57.16 53.97 3h13 n GLU 398 Cb 0.08 -1.64 0.03 0.00 1.43 0.00 0.00 31.44 31.34 3h13 n GLU 398 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3h13 s ALA 399 N -1.18 2.88 -1.17 -1.84 0.00 -0.76 -4.17 121.76 115.53 3h13 s ALA 399 Ca 0.50 -0.02 0.00 0.00 0.00 0.00 0.00 51.96 52.43 3h13 s ALA 399 Cb 0.27 -3.12 0.00 0.00 0.00 0.00 0.00 23.12 20.27 3h13 s ALA 399 CO 0.32 -0.98 0.00 -0.25 0.00 0.00 0.00 175.76 174.84 3h13 n ASP 400 N -2.95 -4.24 -4.89 0.00 10.43 -0.23 -4.86 116.55 109.80 3h13 n ASP 400 Ca 0.07 0.22 -0.34 0.00 2.57 0.00 0.00 54.79 57.32 3h13 n ASP 400 Cb 0.54 -2.89 -0.05 0.00 1.84 0.00 0.00 41.12 40.55 3h13 n ASP 400 CO 0.00 0.00 0.00 -0.36 -1.07 0.00 0.00 177.20 175.77 3h13 s PHE 401 N -2.45 3.53 -0.09 1.24 0.08 -1.26 -0.64 117.98 118.39 3h13 s PHE 401 Ca 0.00 0.35 -0.01 0.00 0.12 0.00 0.00 56.93 57.39 3h13 s PHE 401 Cb 0.00 -1.83 0.03 0.00 -0.57 0.00 0.00 43.02 40.65 3h13 s PHE 401 CO 0.00 0.64 -0.03 0.12 -0.10 0.00 0.00 175.22 175.86 3h13 s PHE 402 N -1.29 0.99 -0.30 0.36 5.36 -0.08 -0.80 117.98 122.21 3h13 s PHE 402 Ca 0.26 -0.40 0.00 0.00 -0.96 0.00 0.00 56.93 55.83 3h13 s PHE 402 Cb -0.13 -0.97 0.09 0.00 -0.34 0.00 0.00 43.02 41.68 3h13 s PHE 402 CO 0.17 -0.41 0.06 -0.46 -1.46 0.00 0.00 175.22 173.13 3h13 s TRP 403 N 1.87 2.23 -0.26 10.12 -0.11 -0.02 -0.22 118.94 132.55 3h13 s TRP 403 Ca 0.05 -1.98 -0.07 0.00 1.22 0.00 0.00 56.10 55.33 3h13 s TRP 403 Cb -0.12 -1.93 -0.01 0.00 -1.50 0.00 0.00 33.47 29.90 3h13 s TRP 403 CO -0.06 -0.86 0.05 0.45 -4.62 0.00 0.00 176.95 171.91 3h13 s SER 404 N 1.44 4.98 -0.15 5.86 0.15 0.02 -1.45 113.70 124.55 3h13 s SER 404 Ca 0.07 -0.39 0.01 0.00 0.70 0.00 0.00 55.95 56.34 3h13 s SER 404 Cb -0.18 -1.88 0.02 0.00 -1.71 0.00 0.00 66.02 62.27 3h13 s SER 404 CO -0.18 -0.08 -0.19 -0.22 1.20 0.00 0.00 173.24 173.77 3h13 s LEU 405 N 1.56 1.96 -0.15 3.45 2.96 0.24 -0.64 118.68 128.06 3h13 s LEU 405 Ca 0.05 -0.56 -0.03 0.00 -0.22 0.00 0.00 54.13 53.37 3h13 s LEU 405 Cb -0.16 -1.34 -0.03 0.00 0.50 0.00 0.00 46.19 45.17 3h13 s LEU 405 CO 0.02 0.02 -0.05 0.00 -1.32 0.00 0.00 176.35 175.02 3h13 s THR 407 N 0.36 3.16 0.07 0.00 2.01 0.40 -0.07 115.64 121.56 3h13 s THR 407 Ca -0.05 -0.67 -0.02 0.00 0.31 0.00 0.00 61.69 61.26 3h13 s THR 407 Cb -0.14 -2.27 -0.04 0.00 0.01 0.00 0.00 72.50 70.06 3h13 s THR 407 CO 0.03 0.57 0.01 0.00 -0.69 0.00 0.00 174.62 174.55 3h13 s ALA 408 N -0.44 0.51 0.20 7.40 0.00 -0.51 -1.52 121.76 127.41 3h13 s ALA 408 Ca 0.06 -1.21 -0.30 0.00 0.00 0.00 0.00 51.96 50.51 3h13 s ALA 408 Cb -0.12 0.42 -0.08 0.00 0.00 0.00 0.00 23.12 23.34 3h13 s ALA 408 CO 0.02 -0.41 1.18 0.34 0.00 0.00 0.00 175.76 176.89 3h13 s ASP 409 N -2.94 7.11 0.55 0.00 -1.08 -1.26 -0.82 116.67 118.23 3h13 s ASP 409 Ca 0.10 2.25 0.26 0.00 -0.52 0.00 0.00 52.55 54.64 3h13 s ASP 409 Cb 0.08 -2.61 1.46 0.00 -1.46 0.00 0.00 42.92 40.38 3h13 s ASP 409 CO -0.07 -0.34 2.02 -0.03 0.52 0.00 0.00 175.17 177.27 3h13 h MET 410 N 4.97 0.00 -0.12 4.34 1.85 -0.69 -1.83 114.93 123.45 3h13 h MET 410 Ca -0.45 0.00 0.03 0.00 -0.61 0.00 0.00 59.70 58.67 3h13 h MET 410 Cb 1.21 0.00 -0.00 0.00 0.43 0.00 0.00 31.60 33.24 3h13 h MET 410 CO 0.73 0.00 0.11 0.66 -0.40 0.00 0.00 176.91 178.01 3h13 h SER 411 N 0.00 0.00 0.05 1.39 4.64 -1.91 -1.12 113.55 116.60 3h13 h SER 411 Ca 0.19 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.50 3h13 h SER 411 Cb 0.85 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.94 3h13 h SER 411 CO -0.00 0.00 -0.05 -0.07 -0.87 0.00 0.00 176.83 175.84 3h13 h LEU 412 N 0.00 0.00 -0.11 5.97 3.38 -1.60 -2.19 115.31 120.76 3h13 h LEU 412 Ca 0.06 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.84 3h13 h LEU 412 Cb 0.27 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 3h13 h LEU 412 CO -0.00 0.05 -0.88 -0.07 0.09 0.00 0.00 178.44 177.64 3h13 h LEU 413 N 0.00 0.00 -0.50 1.67 3.38 -1.40 -1.33 115.31 117.14 3h13 h LEU 413 Ca -0.00 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.82 3h13 h LEU 413 Cb 0.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3h13 h LEU 413 CO 0.01 0.88 -0.37 -0.33 0.09 0.00 0.00 178.44 178.71 3h13 h GLU 414 N 0.00 0.83 -0.02 1.13 5.08 -1.42 -2.44 114.58 117.74 3h13 h GLU 414 Ca -0.01 -0.42 -0.01 0.00 -1.00 0.00 0.00 59.36 57.92 3h13 h GLU 414 Cb 1.62 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.88 3h13 h GLU 414 CO 0.11 1.06 -0.02 0.37 -1.00 0.00 0.00 179.01 179.53 3h13 h GLN 415 N 0.68 0.04 -0.99 2.33 4.15 -1.38 -3.44 115.11 116.51 3h13 h GLN 415 Ca 0.06 -0.02 0.01 0.00 0.77 0.00 0.00 58.65 59.47 3h13 h GLN 415 Cb 0.93 0.00 -0.21 0.00 0.21 0.00 0.00 27.48 28.42 3h13 h GLN 415 CO 0.09 0.54 -0.39 0.45 -1.93 0.00 0.00 178.83 177.58 3h13 s SER 416 N -5.76 -1.61 0.00 -0.69 0.15 -0.51 -5.02 113.70 100.27 3h13 s SER 416 Ca -0.16 -0.00 0.28 0.00 0.70 0.00 0.00 55.95 56.77 3h13 s SER 416 Cb 0.02 2.02 1.40 0.00 -1.71 0.00 0.00 66.02 67.75 3h13 s SER 416 CO 0.68 -0.27 1.97 0.00 1.20 0.00 0.00 173.24 176.82 3h13 n HIS 417 N 5.22 0.00 0.94 3.44 1.44 -0.92 -3.15 115.22 122.19 3h13 n HIS 417 Ca 0.06 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.88 3h13 n HIS 417 Cb 0.55 -0.31 0.03 0.00 0.12 0.00 0.00 29.99 30.38 3h13 n HIS 417 CO 0.00 0.00 0.00 -1.13 -2.81 0.00 0.00 176.34 172.40 3h13 n SER 418 N -1.31 2.27 -4.66 4.39 3.41 -1.26 -3.84 113.62 112.63 3h13 n SER 418 Ca 0.13 -1.64 -0.41 0.00 -0.26 0.00 0.00 58.87 56.70 3h13 n SER 418 Cb 0.24 0.32 -0.05 0.00 -0.26 0.00 0.00 64.21 64.45 3h13 n SER 418 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3h13 s SER 419 N -2.21 6.74 0.38 4.04 0.01 -1.19 -4.63 113.70 116.85 3h13 s SER 419 Ca 0.20 0.91 -0.28 0.00 1.31 0.00 0.00 55.95 58.10 3h13 s SER 419 Cb 0.18 -2.38 -0.10 0.00 0.21 0.00 0.00 66.02 63.93 3h13 s SER 419 CO 0.45 -0.33 1.39 -2.16 0.41 0.00 0.00 173.24 173.01 3h13 s PRO 420 N 2.10 4.11 0.81 12.44 0.04 -1.23 -4.89 135.00 148.37 3h13 s PRO 420 Ca 0.31 2.38 -0.12 0.00 0.04 0.00 0.00 61.00 63.61 3h13 s PRO 420 Cb -0.16 -2.93 0.08 0.00 0.04 0.00 0.00 34.50 31.54 3h13 s PRO 420 CO 0.10 -0.46 1.14 -1.54 0.04 0.00 0.00 177.00 176.28 3h13 s SER 421 N -0.39 3.89 0.37 6.66 1.04 -1.26 -4.85 113.70 119.16 3h13 s SER 421 Ca 0.53 2.09 0.10 0.00 0.48 0.00 0.00 55.95 59.16 3h13 s SER 421 Cb -0.43 -2.56 0.73 0.00 0.10 0.00 0.00 66.02 63.87 3h13 s SER 421 CO 0.57 -2.46 1.86 -0.07 0.98 0.00 0.00 173.24 174.13 3h13 h LEU 422 N -1.13 0.14 0.13 2.42 3.38 -1.98 -2.16 115.31 116.11 3h13 h LEU 422 Ca -0.44 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.49 3h13 h LEU 422 Cb 1.26 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.97 3h13 h LEU 422 CO 0.47 0.40 -0.09 0.22 0.09 0.00 0.00 178.44 179.53 3h13 h TYR 423 N 0.14 -0.24 -0.56 1.13 3.20 -1.99 0.25 116.97 118.90 3h13 h TYR 423 Ca 0.02 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.85 3h13 h TYR 423 Cb 0.52 0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.85 3h13 h TYR 423 CO 0.01 -0.15 0.19 -0.07 -1.64 0.00 0.00 178.16 176.50 3h13 h LEU 424 N -0.22 0.76 -0.21 2.82 3.38 -1.87 -0.71 115.31 119.26 3h13 h LEU 424 Ca -0.01 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.80 3h13 h LEU 424 Cb 0.20 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3h13 h LEU 424 CO -0.00 0.71 -0.07 1.56 0.09 0.00 0.00 178.44 180.73 3h13 h GLN 425 N 0.81 0.41 -0.66 1.13 4.20 -1.01 -1.72 115.11 118.27 3h13 h GLN 425 Ca 0.19 -0.16 -0.06 0.00 0.06 0.00 0.00 58.65 58.67 3h13 h GLN 425 Cb 0.21 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.95 3h13 h GLN 425 CO -0.01 0.67 0.19 0.00 -0.67 0.00 0.00 178.83 179.01 3h13 h LEU 427 N 0.98 0.41 -0.39 0.00 5.85 -1.10 -0.52 115.31 120.54 3h13 h LEU 427 Ca 0.21 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.87 3h13 h LEU 427 Cb 0.33 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 3h13 h LEU 427 CO -0.00 0.35 0.25 -1.28 -0.34 0.00 0.00 178.44 177.42 3h13 h SER 428 N 0.43 0.46 0.03 1.25 0.87 -1.12 -1.87 113.55 113.61 3h13 h SER 428 Ca 0.12 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.65 3h13 h SER 428 Cb 0.02 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 61.87 3h13 h SER 428 CO -0.02 0.36 -0.03 -0.61 -0.53 0.00 0.00 176.83 176.00 3h13 h GLN 429 N 0.52 -0.06 0.33 2.24 4.15 -0.69 -1.33 115.11 120.27 3h13 h GLN 429 Ca 0.14 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.55 3h13 h GLN 429 Cb -0.03 0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.68 3h13 h GLN 429 CO -0.03 -0.04 -0.16 0.87 -1.93 0.00 0.00 178.83 177.54 3h13 h LYS 430 N -0.06 -0.43 -0.82 1.69 1.79 -1.05 0.98 116.57 118.67 3h13 h LYS 430 Ca -0.00 0.03 -0.04 0.00 -2.18 0.00 0.00 60.65 58.46 3h13 h LYS 430 Cb 0.06 0.10 -0.04 0.00 -1.58 0.00 0.00 32.23 30.77 3h13 h LYS 430 CO -0.00 -0.25 0.37 -0.07 -1.08 0.00 0.00 179.45 178.42 3h13 h LEU 431 N -0.50 1.10 -0.28 2.94 3.38 -1.35 0.14 115.31 120.74 3h13 h LEU 431 Ca -0.05 -0.15 -0.21 0.00 0.09 0.00 0.00 57.88 57.57 3h13 h LEU 431 Cb 0.38 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.85 3h13 h LEU 431 CO 0.07 0.94 -0.80 -0.09 0.09 0.00 0.00 178.44 178.65 3h13 h ARG 432 N 1.18 0.51 0.00 1.13 2.43 -1.18 -2.78 114.38 115.68 3h13 h ARG 432 Ca 0.28 -0.45 0.00 0.00 -0.81 0.00 0.00 59.98 59.00 3h13 h ARG 432 Cb 0.15 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 3h13 h ARG 432 CO -0.03 1.09 -0.98 1.04 -1.51 0.00 0.00 179.97 179.57 3h13 n GLN 433 N -3.84 0.49 -2.64 0.20 6.02 0.33 -4.44 117.38 113.49 3h13 n GLN 433 Ca -0.06 0.08 -0.06 0.00 -0.01 0.00 0.00 57.00 56.94 3h13 n GLN 433 Cb 0.75 -1.74 0.04 0.00 1.02 0.00 0.00 30.24 30.31 3h13 n GLN 433 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 3h13 n GLU 434 N -2.41 2.13 0.12 -1.09 1.02 0.48 -4.92 120.64 115.97 3h13 n GLU 434 Ca 0.01 -3.66 0.06 0.00 -0.02 0.00 0.00 57.16 53.55 3h13 n GLU 434 Cb 0.51 -1.74 0.30 0.00 -0.02 0.00 0.00 31.44 30.49 3h13 n GLU 434 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 3h13 n ARG 435 N -0.58 0.07 0.07 3.49 1.85 -1.05 -1.30 116.66 119.22 3h13 n ARG 435 Ca 0.16 0.52 0.12 0.00 -1.00 0.00 0.00 57.85 57.65 3h13 n ARG 435 Cb 0.83 -1.97 0.19 0.00 -1.05 0.00 0.00 32.46 30.46 3h13 n ARG 435 CO 0.00 0.00 0.00 0.87 -0.01 0.00 0.00 177.63 178.49 3h13 h LYS 436 N 0.00 0.00 -6.68 2.89 1.57 -1.90 -3.36 116.57 109.10 3h13 h LYS 436 Ca 0.00 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 58.28 3h13 h LYS 436 Cb 0.46 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.75 3h13 h LYS 436 CO 0.00 0.00 0.06 1.03 -0.57 0.00 0.00 179.45 179.97 3h13 s ARG 437 N -3.17 3.97 0.53 3.15 0.52 -0.42 -4.97 118.95 118.56 3h13 s ARG 437 Ca 0.06 0.60 -0.23 0.00 -0.52 0.00 0.00 55.73 55.65 3h13 s ARG 437 Cb 0.13 -2.47 -0.06 0.00 0.52 0.00 0.00 34.95 33.07 3h13 s ARG 437 CO 0.71 0.19 1.37 -0.35 0.02 0.00 0.00 175.30 177.23 3h13 n PRO 438 N -0.31 1.81 -0.29 3.54 -0.04 -1.26 -4.62 135.00 133.83 3h13 n PRO 438 Ca 0.03 0.66 0.05 0.00 -0.04 0.00 0.00 63.50 64.20 3h13 n PRO 438 Cb 0.53 -2.58 0.19 0.00 -0.04 0.00 0.00 33.50 31.60 3h13 n PRO 438 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3h13 h LEU 439 N 1.61 0.55 -0.90 1.53 5.85 -1.18 -1.76 115.31 121.02 3h13 h LEU 439 Ca -0.51 0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.31 3h13 h LEU 439 Cb 1.30 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 42.26 3h13 h LEU 439 CO 0.58 0.27 0.59 0.25 -0.34 0.00 0.00 178.44 179.79 3h13 h LEU 440 N 0.66 1.01 -0.83 2.25 5.85 -1.90 -0.09 115.31 122.26 3h13 h LEU 440 Ca 0.43 -0.02 -0.10 0.00 0.84 0.00 0.00 57.88 59.03 3h13 h LEU 440 Cb 0.53 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 3h13 h LEU 440 CO -0.32 0.72 -0.20 0.44 -0.34 0.00 0.00 178.44 178.73 3h13 h ASP 441 N 1.18 0.66 -0.46 1.25 3.32 -1.70 -1.79 116.42 118.89 3h13 h ASP 441 Ca 0.34 -0.22 -0.13 0.00 0.02 0.00 0.00 57.03 57.04 3h13 h ASP 441 Cb -0.08 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.27 3h13 h ASP 441 CO -0.09 0.86 -0.22 -0.07 -1.72 0.00 0.00 179.24 178.00 3h13 h LEU 442 N 0.58 1.00 -1.28 1.55 3.38 -0.82 -2.57 115.31 117.15 3h13 h LEU 442 Ca 0.09 -0.38 -0.07 0.00 0.09 0.00 0.00 57.88 57.61 3h13 h LEU 442 Cb 0.67 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 3h13 h LEU 442 CO 0.05 1.17 -0.27 -0.74 0.09 0.00 0.00 178.44 178.73 3h13 h HIS 443 N 0.84 0.16 -0.33 1.13 2.76 -0.76 0.35 115.15 119.29 3h13 h HIS 443 Ca 0.11 -0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.22 3h13 h HIS 443 Cb 0.79 -0.04 -0.01 0.00 1.55 0.00 0.00 27.41 29.69 3h13 h HIS 443 CO 0.05 0.41 0.09 0.82 -1.30 0.00 0.00 177.93 178.00 3h13 h ILE 444 N 0.13 1.21 -0.70 6.26 1.08 -1.02 0.57 117.51 125.04 3h13 h ILE 444 Ca 0.02 -0.71 -0.06 0.00 -0.39 0.00 0.00 64.86 63.73 3h13 h ILE 444 Cb 0.56 1.04 -0.03 0.00 -3.07 0.00 0.00 36.82 35.32 3h13 h ILE 444 CO 0.04 0.24 0.22 -0.33 -0.69 0.00 0.00 178.15 177.62 3h13 h GLU 445 N 0.39 1.08 -0.91 2.37 5.08 -1.06 -1.37 114.58 120.15 3h13 h GLU 445 Ca 0.11 -0.23 -0.02 0.00 -1.00 0.00 0.00 59.36 58.23 3h13 h GLU 445 Cb 0.27 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.32 3h13 h GLU 445 CO -0.00 0.92 0.51 1.25 -1.00 0.00 0.00 179.01 180.69 3h13 h LEU 446 N 1.04 1.13 -0.03 1.33 6.46 -0.48 0.81 115.31 125.58 3h13 h LEU 446 Ca 0.23 -0.10 0.03 0.00 -0.12 0.00 0.00 57.88 57.92 3h13 h LEU 446 Cb 0.30 -0.29 -0.04 0.00 -0.73 0.00 0.00 40.66 39.90 3h13 h LEU 446 CO -0.01 0.90 -0.17 0.78 -0.62 0.00 0.00 178.44 179.33 3h13 h ASN 447 N 1.28 -0.50 -0.84 1.25 2.35 -0.08 0.11 115.58 119.15 3h13 h ASN 447 Ca 0.32 0.08 0.01 0.00 -0.55 0.00 0.00 56.30 56.16 3h13 h ASN 447 Cb 0.01 0.21 -0.04 0.00 0.05 0.00 0.00 38.32 38.55 3h13 h ASN 447 CO -0.05 -0.23 0.55 1.23 -1.65 0.00 0.00 177.43 177.29 3h13 h GLY 448 N -0.26 1.19 0.97 2.83 0.00 -0.83 -0.69 103.07 106.27 3h13 h GLY 448 Ca 0.06 -0.44 -0.00 0.00 0.00 0.00 0.00 47.33 46.95 3h13 h GLY 448 CO -0.18 0.42 0.19 -1.82 0.00 0.00 0.00 176.54 175.15 3h13 h TYR 449 N 1.12 0.45 -0.27 5.60 3.20 -0.17 -1.80 116.97 125.10 3h13 h TYR 449 Ca 0.31 -0.01 -0.10 0.00 3.14 0.00 0.00 58.73 62.07 3h13 h TYR 449 Cb -0.10 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.01 3h13 h TYR 449 CO -0.02 0.35 -0.28 0.52 -1.64 0.00 0.00 178.16 177.10 3h13 h MET 450 N 0.43 0.53 -0.66 1.82 2.86 -0.39 -1.99 114.93 117.53 3h13 h MET 450 Ca 0.12 -0.22 -0.08 0.00 -2.06 0.00 0.00 59.70 57.46 3h13 h MET 450 Cb 0.04 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.65 3h13 h MET 450 CO -0.02 0.76 0.09 1.88 1.06 0.00 0.00 176.91 180.68 3h13 h TYR 451 N 0.46 1.18 -0.43 -0.22 -1.99 -0.97 -0.40 116.97 114.60 3h13 h TYR 451 Ca 0.06 -0.17 -0.08 0.00 2.00 0.00 0.00 58.73 60.54 3h13 h TYR 451 Cb 0.72 -0.32 -0.01 0.00 2.00 0.00 0.00 36.73 39.12 3h13 h TYR 451 CO 0.03 0.99 -0.05 0.22 -0.00 0.00 0.00 178.16 179.35 3h13 h ASP 452 N 1.02 0.80 -0.12 3.88 1.82 -1.13 -1.87 116.42 120.81 3h13 h ASP 452 Ca 0.20 -0.34 -0.00 0.00 -0.39 0.00 0.00 57.03 56.50 3h13 h ASP 452 Cb 0.46 -0.22 -0.01 0.00 0.68 0.00 0.00 39.33 40.25 3h13 h ASP 452 CO 0.02 0.94 0.07 -0.25 -1.61 0.00 0.00 179.24 178.41 3h13 h TRP 453 N 0.63 0.16 -0.49 0.28 2.91 -1.22 -2.78 115.95 115.45 3h13 h TRP 453 Ca 0.12 -0.00 0.06 0.00 1.13 0.00 0.00 58.89 60.19 3h13 h TRP 453 Cb 0.57 -0.05 -0.03 0.00 -0.51 0.00 0.00 29.16 29.14 3h13 h TRP 453 CO 0.04 0.15 0.33 -0.91 -1.03 0.00 0.00 178.44 177.03 3h13 h ASN 454 N 0.12 0.37 0.88 2.65 2.35 -0.93 -1.42 115.58 119.60 3h13 h ASN 454 Ca 0.04 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 3h13 h ASN 454 Cb 0.04 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.33 3h13 h ASN 454 CO -0.01 0.24 0.00 -1.54 -1.65 0.00 0.00 177.43 174.48 3h13 n SER 455 N -4.47 0.57 -0.49 5.81 3.41 -0.72 -3.30 113.62 114.44 3h13 n SER 455 Ca 0.07 0.61 0.08 0.00 -0.26 0.00 0.00 58.87 59.36 3h13 n SER 455 Cb 0.25 -0.74 0.03 0.00 -0.26 0.00 0.00 64.21 63.48 3h13 n SER 455 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3h13 n ARG 456 N -2.10 1.46 -4.53 4.33 1.74 -0.54 -5.04 116.66 111.98 3h13 n ARG 456 Ca 0.03 -1.11 -0.25 0.00 -0.77 0.00 0.00 57.85 55.75 3h13 n ARG 456 Cb 0.27 -1.27 -0.10 0.00 -1.02 0.00 0.00 32.46 30.35 3h13 n ARG 456 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3h13 s VAL 457 N -1.54 1.11 0.61 1.55 -7.23 -1.18 -5.13 120.40 108.59 3h13 s VAL 457 Ca 0.15 -2.00 -0.15 0.00 -1.81 0.00 0.00 61.98 58.17 3h13 s VAL 457 Cb 0.12 -2.60 -0.03 0.00 0.56 0.00 0.00 36.38 34.44 3h13 s VAL 457 CO 0.28 0.00 1.07 -0.94 -0.31 0.00 0.00 175.10 175.20 3h13 s SER 458 N -3.60 5.62 0.31 4.85 1.04 -1.26 -4.92 113.70 115.74 3h13 s SER 458 Ca 0.28 1.85 0.02 0.00 0.48 0.00 0.00 55.95 58.59 3h13 s SER 458 Cb 0.06 -2.54 0.76 0.00 0.10 0.00 0.00 66.02 64.41 3h13 s SER 458 CO 0.14 -1.28 1.58 0.00 0.98 0.00 0.00 173.24 174.66 3h13 h ALA 459 N 0.32 1.21 0.00 5.32 0.00 -2.00 0.28 119.26 124.39 3h13 h ALA 459 Ca -0.47 0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3h13 h ALA 459 Cb 1.23 0.55 0.00 0.00 0.00 0.00 0.00 17.79 19.56 3h13 h ALA 459 CO 0.57 -0.57 0.00 0.87 0.00 0.00 0.00 179.25 180.11 3h13 h LYS 460 N 0.03 0.00 -0.02 0.00 1.57 -2.00 -2.77 116.57 113.37 3h13 h LYS 460 Ca 0.60 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.38 3h13 h LYS 460 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.55 3h13 h LYS 460 CO -0.87 0.00 -0.00 0.39 -0.57 0.00 0.00 179.45 178.39 3h13 n GLU 461 N -2.67 2.02 -1.75 3.15 1.02 0.08 -4.42 120.64 118.08 3h13 n GLU 461 Ca 0.01 -1.49 -0.31 0.00 -0.02 0.00 0.00 57.16 55.34 3h13 n GLU 461 Cb 0.23 -1.47 0.03 0.00 -0.02 0.00 0.00 31.44 30.22 3h13 n GLU 461 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3h13 s LYS 462 N -2.00 3.18 -0.07 3.49 1.02 -1.05 -4.98 119.74 119.33 3h13 s LYS 462 Ca 0.32 0.95 0.02 0.00 0.02 0.00 0.00 55.97 57.29 3h13 s LYS 462 Cb 0.20 -2.02 0.01 0.00 -0.52 0.00 0.00 37.83 35.50 3h13 s LYS 462 CO 0.32 -0.90 -0.13 0.71 -0.92 0.00 0.00 175.35 174.43 3h13 s TYR 463 N -2.96 1.56 -0.20 3.18 1.51 -1.26 -4.37 117.35 114.80 3h13 s TYR 463 Ca 0.58 -0.60 -0.05 0.00 -1.01 0.00 0.00 57.07 55.99 3h13 s TYR 463 Cb -0.13 -1.14 -0.02 0.00 -0.11 0.00 0.00 41.96 40.55 3h13 s TYR 463 CO 0.51 -0.31 -0.01 0.71 -1.11 0.00 0.00 175.55 175.33 3h13 s TYR 464 N 0.72 3.02 -0.18 2.71 1.51 -0.57 -4.88 117.35 119.67 3h13 s TYR 464 Ca -0.13 -0.53 -0.02 0.00 -1.01 0.00 0.00 57.07 55.38 3h13 s TYR 464 Cb -0.16 -2.07 -0.01 0.00 -0.11 0.00 0.00 41.96 39.61 3h13 s TYR 464 CO 0.03 -0.27 -0.09 0.08 -1.11 0.00 0.00 175.55 174.19 3h13 s VAL 465 N 1.01 3.17 -0.15 0.71 1.01 -1.26 -0.46 120.40 124.43 3h13 s VAL 465 Ca 0.01 -0.59 -0.01 0.00 0.00 0.00 0.00 61.98 61.40 3h13 s VAL 465 Cb -0.14 -2.39 -0.01 0.00 0.00 0.00 0.00 36.38 33.83 3h13 s VAL 465 CO 0.01 0.48 -0.11 0.86 0.00 0.00 0.00 175.10 176.34 3h13 s TRP 466 N 0.97 2.86 -0.09 5.22 -0.00 0.60 -4.99 118.94 123.51 3h13 s TRP 466 Ca -0.01 -0.73 0.04 0.00 -0.00 0.00 0.00 56.10 55.40 3h13 s TRP 466 Cb -0.15 -1.91 0.00 0.00 -0.00 0.00 0.00 33.47 31.41 3h13 s TRP 466 CO -0.00 -0.30 -0.21 -1.17 -0.00 0.00 0.00 176.95 175.26 3h13 s LEU 467 N 0.63 1.99 -0.03 5.86 2.96 -1.26 -0.59 118.68 128.24 3h13 s LEU 467 Ca -0.06 -0.50 0.01 0.00 -0.22 0.00 0.00 54.13 53.36 3h13 s LEU 467 Cb -0.15 -1.27 0.02 0.00 0.50 0.00 0.00 46.19 45.28 3h13 s LEU 467 CO 0.03 0.13 -0.02 -1.58 -1.32 0.00 0.00 176.35 173.59 3h13 s GLN 468 N 0.39 0.43 0.14 1.98 2.00 -0.53 -5.04 119.66 119.03 3h13 s GLN 468 Ca -0.17 -0.01 -0.10 0.00 -2.00 0.00 0.00 55.36 53.08 3h13 s GLN 468 Cb -0.17 -0.53 -0.00 0.00 0.80 0.00 0.00 33.01 33.11 3h13 s GLN 468 CO 0.08 -0.08 0.28 -3.38 -0.50 0.00 0.00 175.29 171.69 3h13 s HIS 469 N 0.76 0.26 -0.21 1.67 -3.43 -1.26 -0.84 115.29 112.24 3h13 s HIS 469 Ca -0.08 -0.64 0.17 0.00 -0.80 0.00 0.00 55.06 53.71 3h13 s HIS 469 Cb -0.12 -0.01 0.46 0.00 -1.43 0.00 0.00 32.58 31.49 3h13 s HIS 469 CO -0.01 -0.68 1.16 0.25 -2.00 0.00 0.00 174.74 173.46 3h13 n THR 470 N -0.18 1.53 -2.00 -5.38 -2.24 0.02 -4.99 114.28 101.05 3h13 n THR 470 Ca -0.10 -2.96 -0.37 0.00 -2.27 0.00 0.00 64.05 58.36 3h13 n THR 470 Cb 0.63 0.29 0.03 0.00 -2.10 0.00 0.00 70.33 69.17 3h13 n THR 470 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3h13 s LEU 471 N -2.88 3.75 0.00 3.22 1.43 -1.25 -1.07 118.68 121.88 3h13 s LEU 471 Ca 0.37 2.46 0.00 0.00 -1.03 0.00 0.00 54.13 55.93 3h13 s LEU 471 Cb 0.37 -4.49 0.00 0.00 0.03 0.00 0.00 46.19 42.10 3h13 s LEU 471 CO -0.05 -1.51 0.21 0.54 0.23 0.00 0.00 176.35 175.78 3h13 n ARG 472 N -1.33 3.38 -4.00 1.70 1.74 -1.26 -4.87 116.66 112.02 3h13 n ARG 472 Ca 0.12 -0.21 -0.10 0.00 -0.77 0.00 0.00 57.85 56.89 3h13 n ARG 472 Cb 0.48 -0.71 -0.07 0.00 -1.02 0.00 0.00 32.46 31.15 3h13 n ARG 472 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3h13 s LYS 473 N -0.54 1.24 0.16 5.56 1.02 -1.26 -4.99 119.74 120.93 3h13 s LYS 473 Ca 0.00 -1.25 -0.31 0.00 0.02 0.00 0.00 55.97 54.43 3h13 s LYS 473 Cb 0.00 0.38 -0.09 0.00 -0.52 0.00 0.00 37.83 37.60 3h13 s LYS 473 CO 0.00 -0.46 1.48 0.21 -0.92 0.00 0.00 175.35 175.65 3h13 s LYS 474 N -4.00 4.26 -0.28 1.68 2.20 -0.69 -4.72 119.74 118.19 3h13 s LYS 474 Ca 0.21 2.25 -0.04 0.00 -0.36 0.00 0.00 55.97 58.03 3h13 s LYS 474 Cb 0.03 -3.18 0.02 0.00 -1.51 0.00 0.00 37.83 33.19 3h13 s LYS 474 CO 0.03 -0.51 0.01 -1.17 -0.36 0.00 0.00 175.35 173.35 3h13 s LEU 475 N 0.86 3.57 -0.11 5.43 2.96 -1.26 -1.58 118.68 128.55 3h13 s LEU 475 Ca 0.66 -0.88 0.01 0.00 -0.22 0.00 0.00 54.13 53.71 3h13 s LEU 475 Cb -0.41 -1.76 0.02 0.00 0.50 0.00 0.00 46.19 44.54 3h13 s LEU 475 CO 0.33 -0.18 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.42 3h13 s ILE 476 N 1.38 1.37 -1.54 6.68 1.01 -1.26 -0.49 121.20 128.35 3h13 s ILE 476 Ca 0.00 -0.55 -0.09 0.00 0.00 0.00 0.00 60.65 60.01 3h13 s ILE 476 Cb -0.17 -1.29 -0.06 0.00 0.01 0.00 0.00 42.46 40.95 3h13 s ILE 476 CO -0.01 0.42 2.88 0.18 0.00 0.00 0.00 174.94 178.41 3h13 n LEU 477 N 4.45 8.59 -3.81 2.97 4.77 -1.26 -4.80 117.00 127.92 3h13 n LEU 477 Ca -0.18 -4.43 0.04 0.00 -0.03 0.00 0.00 56.01 51.42 3h13 n LEU 477 Cb 0.51 -1.52 0.01 0.00 -2.33 0.00 0.00 43.42 40.08 3h13 n LEU 477 CO 0.22 2.07 1.22 -0.94 -1.33 0.00 0.00 177.39 178.62 3h13 s SER 478 N 1.86 -0.00 0.00 -1.43 1.04 -1.26 -4.89 113.70 109.02 3h13 s SER 478 Ca 0.67 -0.01 0.26 0.00 0.48 0.00 0.00 55.95 57.36 3h13 s SER 478 Cb 0.18 0.01 0.66 0.00 0.10 0.00 0.00 66.02 66.97 3h13 s SER 478 CO -0.07 -0.01 1.53 0.00 0.98 0.00 0.00 173.24 175.67