#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jva s ILE 280 N 0.00 5.32 -0.22 1.39 1.01 -1.26 -5.07 121.20 122.36 1jva s ILE 280 Ca 0.00 0.50 -0.01 0.00 0.00 0.00 0.00 60.65 61.14 1jva s ILE 280 Cb 0.00 -3.61 0.02 0.00 0.01 0.00 0.00 42.46 38.88 1jva s ILE 280 CO 0.00 0.40 -0.10 -0.31 0.00 0.00 0.00 174.94 174.93 1jva s TYR 281 N 0.40 2.97 -0.18 3.97 1.51 -1.25 -5.04 117.35 119.73 1jva s TYR 281 Ca 0.15 -1.51 -0.07 0.00 -1.01 0.00 0.00 57.07 54.63 1jva s TYR 281 Cb -0.13 -2.02 0.08 0.00 -0.11 0.00 0.00 41.96 39.78 1jva s TYR 281 CO 0.03 -0.73 0.40 0.54 -1.11 0.00 0.00 175.55 174.69 1jva s VAL 282 N 1.33 -0.44 0.65 0.71 0.11 -1.26 0.79 120.40 122.28 1jva s VAL 282 Ca 0.02 0.16 -0.18 0.00 -2.93 0.00 0.00 61.98 59.05 1jva s VAL 282 Cb -0.15 -0.63 -0.01 0.00 -1.53 0.00 0.00 36.38 34.06 1jva s VAL 282 CO -0.07 0.06 1.26 -0.83 -3.33 0.00 0.00 175.10 172.19 1jva s GLY 283 N 2.23 2.74 0.17 6.54 0.00 -1.20 -4.74 107.32 113.06 1jva s GLY 283 Ca -0.04 1.10 -0.14 0.00 0.00 0.00 0.00 44.72 45.65 1jva s GLY 283 CO -0.12 1.52 0.69 1.44 0.00 0.00 0.00 173.10 176.62 1jva n SER 284 N -1.97 -1.34 -4.33 1.64 7.64 -1.26 -4.43 113.62 109.57 1jva n SER 284 Ca 0.15 -1.77 -0.18 0.00 1.01 0.00 0.00 58.87 58.08 1jva n SER 284 Cb 0.49 2.19 -0.10 0.00 -1.01 0.00 0.00 64.21 65.78 1jva n SER 284 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1jva s PHE 285 N -3.48 1.65 0.68 1.43 0.40 1.10 -1.55 117.98 118.21 1jva s PHE 285 Ca 0.15 -0.59 -0.13 0.00 -0.60 0.00 0.00 56.93 55.76 1jva s PHE 285 Cb -0.02 -0.78 0.01 0.00 0.51 0.00 0.00 43.02 42.73 1jva s PHE 285 CO 0.05 0.32 1.08 0.00 0.70 0.00 0.00 175.22 177.37 1jva s ALA 286 N -2.97 2.54 0.58 5.36 0.00 -0.31 0.16 121.76 127.13 1jva s ALA 286 Ca 0.21 0.32 -0.21 0.00 0.00 0.00 0.00 51.96 52.29 1jva s ALA 286 Cb -0.01 -3.25 -0.04 0.00 0.00 0.00 0.00 23.12 19.83 1jva s ALA 286 CO 0.06 -1.25 1.33 0.21 0.00 0.00 0.00 175.76 176.11 1jva s LYS 287 N -4.52 2.97 0.00 0.00 2.20 -1.26 -2.64 119.74 116.49 1jva s LYS 287 Ca 0.62 2.17 0.00 0.00 -0.36 0.00 0.00 55.97 58.40 1jva s LYS 287 Cb -0.17 -2.13 0.00 0.00 -1.51 0.00 0.00 37.83 34.02 1jva s LYS 287 CO 0.47 -1.30 0.00 0.41 -0.36 0.00 0.00 175.35 174.57 1jva n GLY 288 N 0.77 3.07 3.63 5.54 0.00 -1.26 -5.00 105.19 111.94 1jva n GLY 288 Ca 0.12 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.63 1jva n GLY 288 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1jva n THR 289 N -2.00 0.09 -3.25 2.61 -1.04 -1.08 -4.70 114.28 104.91 1jva n THR 289 Ca 0.00 -0.02 -0.39 0.00 -2.04 0.00 0.00 64.05 61.61 1jva n THR 289 Cb 0.00 -1.13 -0.06 0.00 -1.82 0.00 0.00 70.33 67.32 1jva n THR 289 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 1jva s ASN 290 N 1.30 7.04 0.07 8.00 0.01 -1.26 -0.39 114.94 129.71 1jva s ASN 290 Ca 0.86 1.23 0.09 0.00 -0.71 0.00 0.00 52.86 54.33 1jva s ASN 290 Cb -0.88 -2.36 -0.03 0.00 0.41 0.00 0.00 41.25 38.38 1jva s ASN 290 CO 0.48 0.22 -0.24 -0.69 -1.51 0.00 0.00 177.10 175.35 1jva s VAL 291 N -0.81 1.99 -0.25 1.60 1.01 0.28 -1.52 120.40 122.70 1jva s VAL 291 Ca 0.30 -1.45 -0.19 0.00 0.00 0.00 0.00 61.98 60.64 1jva s VAL 291 Cb -0.19 -1.74 -0.02 0.00 0.00 0.00 0.00 36.38 34.43 1jva s VAL 291 CO 0.18 0.21 0.56 -0.22 0.00 0.00 0.00 175.10 175.83 1jva s LEU 292 N -1.50 4.06 0.48 3.92 2.96 -0.69 -1.31 118.68 126.61 1jva s LEU 292 Ca 0.10 0.61 -0.09 0.00 -0.22 0.00 0.00 54.13 54.53 1jva s LEU 292 Cb -0.10 -2.74 -0.05 0.00 0.50 0.00 0.00 46.19 43.80 1jva s LEU 292 CO 0.03 -0.31 0.84 -0.04 -1.32 0.00 0.00 176.35 175.55 1jva s MET 293 N 2.34 3.68 0.61 1.98 -1.94 0.22 -0.77 119.30 125.42 1jva s MET 293 Ca 0.23 0.47 0.30 0.00 -1.71 0.00 0.00 55.69 54.98 1jva s MET 293 Cb -0.16 -2.31 1.64 0.00 2.01 0.00 0.00 34.83 36.01 1jva s MET 293 CO 0.09 -0.20 2.01 0.00 -0.01 0.00 0.00 175.02 176.90 1jva h ALA 294 N 0.61 1.78 -0.04 3.03 0.00 -0.83 0.12 119.26 123.92 1jva h ALA 294 Ca -0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1jva h ALA 294 Cb 1.19 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1jva h ALA 294 CO 0.63 -0.42 0.00 -0.40 0.00 0.00 0.00 179.25 179.05 1jva n ASP 295 N -3.53 1.26 0.00 0.00 5.75 -1.26 -4.81 116.55 113.96 1jva n ASP 295 Ca 0.03 -1.47 0.00 0.00 -0.01 0.00 0.00 54.79 53.34 1jva n ASP 295 Cb 0.43 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.50 1jva n ASP 295 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1jva n GLY 296 N 1.13 0.61 3.90 6.12 0.00 0.42 -4.97 105.19 112.40 1jva n GLY 296 Ca 0.19 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.93 1jva n GLY 296 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jva s SER 297 N -2.72 6.40 0.14 1.61 1.04 -1.25 -4.78 113.70 114.14 1jva s SER 297 Ca 0.00 0.89 0.03 0.00 0.48 0.00 0.00 55.95 57.35 1jva s SER 297 Cb 0.00 -2.22 -0.04 0.00 0.10 0.00 0.00 66.02 63.86 1jva s SER 297 CO 0.00 -0.39 0.24 -0.63 0.98 0.00 0.00 173.24 173.44 1jva s ILE 298 N -2.40 5.12 -0.28 -1.02 1.01 -1.26 0.73 121.20 123.10 1jva s ILE 298 Ca 0.47 -0.75 -0.23 0.00 0.00 0.00 0.00 60.65 60.15 1jva s ILE 298 Cb -0.10 -3.62 0.09 0.00 0.01 0.00 0.00 42.46 38.84 1jva s ILE 298 CO 0.35 -0.07 0.82 -0.70 0.00 0.00 0.00 174.94 175.35 1jva s GLU 299 N -3.11 0.69 0.23 2.79 2.12 -0.42 -4.91 118.70 116.09 1jva s GLU 299 Ca 0.34 0.90 -0.30 0.00 0.36 0.00 0.00 54.97 56.27 1jva s GLU 299 Cb -0.11 0.29 -0.10 0.00 0.26 0.00 0.00 34.13 34.48 1jva s GLU 299 CO 0.27 -0.10 1.40 0.00 -0.54 0.00 0.00 175.26 176.30 1jva h ILE 301 N 3.61 0.42 0.00 0.00 2.10 -1.00 -0.50 117.51 122.14 1jva h ILE 301 Ca -0.45 -0.15 -0.01 0.00 1.08 0.00 0.00 64.86 65.33 1jva h ILE 301 Cb 1.22 -0.06 -0.00 0.00 -1.09 0.00 0.00 36.82 36.89 1jva h ILE 301 CO 0.78 0.08 -0.04 1.05 -1.08 0.00 0.00 178.15 178.93 1jva h GLU 302 N 0.43 0.00 -0.00 2.19 9.09 -1.90 -2.21 114.58 122.18 1jva h GLU 302 Ca 0.67 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.08 1jva h GLU 302 Cb 1.39 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.49 1jva h GLU 302 CO -0.55 0.04 -0.21 0.09 0.05 0.00 0.00 179.01 178.44 1jva n ASN 303 N -4.24 0.28 -4.74 3.06 5.03 -0.20 -4.88 115.26 109.56 1jva n ASN 303 Ca -0.03 0.01 -0.41 0.00 0.87 0.00 0.00 54.58 55.02 1jva n ASN 303 Cb 0.13 -0.14 -0.03 0.00 -1.02 0.00 0.00 39.78 38.72 1jva n ASN 303 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1jva s ILE 304 N -2.90 3.46 0.27 2.41 1.01 -0.83 -5.03 121.20 119.60 1jva s ILE 304 Ca 0.16 1.28 0.10 0.00 0.00 0.00 0.00 60.65 62.19 1jva s ILE 304 Cb 0.19 -3.81 -0.05 0.00 0.01 0.00 0.00 42.46 38.80 1jva s ILE 304 CO 0.58 0.23 -0.08 -1.61 0.00 0.00 0.00 174.94 174.06 1jva s GLU 305 N -0.52 2.05 0.46 2.79 2.02 -1.26 -5.07 118.70 119.18 1jva s GLU 305 Ca 0.52 -1.56 -0.25 0.00 0.02 0.00 0.00 54.97 53.69 1jva s GLU 305 Cb -0.33 -2.00 -0.08 0.00 0.10 0.00 0.00 34.13 31.81 1jva s GLU 305 CO 0.39 0.34 1.41 0.28 0.02 0.00 0.00 175.26 177.70 1jva n VAL 306 N -0.79 2.94 0.00 2.63 0.31 -1.26 -1.86 118.33 120.30 1jva n VAL 306 Ca -0.06 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.77 1jva n VAL 306 Cb 0.59 -1.80 0.00 0.00 -0.91 0.00 0.00 33.84 31.72 1jva n VAL 306 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1jva n GLY 307 N 0.62 3.22 3.75 2.92 0.00 -0.57 -5.02 105.19 110.11 1jva n GLY 307 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 1jva n GLY 307 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1jva s ASN 308 N -0.41 4.59 -0.14 1.61 0.02 -0.78 -4.72 114.94 115.11 1jva s ASN 308 Ca 0.00 2.11 0.02 0.00 -1.02 0.00 0.00 52.86 53.97 1jva s ASN 308 Cb 0.00 -2.56 0.00 0.00 0.02 0.00 0.00 41.25 38.71 1jva s ASN 308 CO 0.00 -1.98 -0.19 -0.54 0.02 0.00 0.00 177.10 174.41 1jva s LYS 309 N -4.15 3.11 0.47 -0.60 1.02 -1.26 -1.10 119.74 117.22 1jva s LYS 309 Ca 0.69 -0.81 0.07 0.00 0.02 0.00 0.00 55.97 55.93 1jva s LYS 309 Cb -0.23 -2.51 0.02 0.00 -0.52 0.00 0.00 37.83 34.59 1jva s LYS 309 CO 0.45 0.02 0.64 0.14 -0.92 0.00 0.00 175.35 175.68 1jva s VAL 310 N 0.77 2.84 -0.06 3.17 -7.23 0.80 -0.46 120.40 120.24 1jva s VAL 310 Ca -0.07 -0.92 -0.30 0.00 -1.81 0.00 0.00 61.98 58.88 1jva s VAL 310 Cb -0.16 -2.92 -0.02 0.00 0.56 0.00 0.00 36.38 33.84 1jva s VAL 310 CO -0.00 0.00 1.01 -0.32 -0.31 0.00 0.00 175.10 175.48 1jva s MET 311 N -4.48 4.47 0.09 4.82 1.75 0.05 -0.08 119.30 125.92 1jva s MET 311 Ca 0.56 1.42 -0.10 0.00 -1.25 0.00 0.00 55.69 56.32 1jva s MET 311 Cb -0.10 -3.51 -0.06 0.00 2.84 0.00 0.00 34.83 34.01 1jva s MET 311 CO 0.35 -0.22 0.42 0.20 -0.65 0.00 0.00 175.02 175.12 1jva s GLY 312 N 1.08 2.35 0.61 2.11 0.00 0.80 -0.92 107.32 113.36 1jva s GLY 312 Ca 0.50 -0.35 0.19 0.00 0.00 0.00 0.00 44.72 45.06 1jva s GLY 312 CO 0.22 -0.12 1.55 0.07 0.00 0.00 0.00 173.10 174.82 1jva h LYS 313 N 3.66 0.00 -0.05 2.90 2.10 -1.84 0.70 116.57 124.04 1jva h LYS 313 Ca -0.49 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.16 1jva h LYS 313 Cb 1.19 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.52 1jva h LYS 313 CO 0.66 0.00 0.00 -0.40 -2.00 0.00 0.00 179.45 177.71 1jva n ASP 314 N -2.64 1.78 0.00 7.07 5.75 -1.26 -4.76 116.55 122.50 1jva n ASP 314 Ca -0.01 -1.61 0.00 0.00 -0.01 0.00 0.00 54.79 53.15 1jva n ASP 314 Cb 0.56 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.63 1jva n ASP 314 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1jva n GLY 315 N 1.20 0.96 3.94 6.12 0.00 0.24 -4.75 105.19 112.90 1jva n GLY 315 Ca 0.18 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.94 1jva n GLY 315 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jva s ARG 316 N -0.56 3.49 0.58 1.61 1.81 -1.25 -4.39 118.95 120.23 1jva s ARG 316 Ca 0.00 -0.46 -0.17 0.00 -1.72 0.00 0.00 55.73 53.38 1jva s ARG 316 Cb 0.00 -2.86 -0.04 0.00 -0.45 0.00 0.00 34.95 31.60 1jva s ARG 316 CO 0.00 0.41 1.07 -1.25 -0.68 0.00 0.00 175.30 174.85 1jva s PRO 317 N -3.48 3.31 -0.16 3.54 0.04 -1.26 -0.14 135.00 136.85 1jva s PRO 317 Ca 0.37 1.33 -0.00 0.00 0.04 0.00 0.00 61.00 62.74 1jva s PRO 317 Cb -0.11 -2.02 0.04 0.00 0.04 0.00 0.00 34.50 32.45 1jva s PRO 317 CO 0.30 -0.83 -0.08 1.03 0.04 0.00 0.00 177.00 177.46 1jva s ARG 318 N -3.81 1.69 0.01 4.56 1.81 0.88 -4.75 118.95 119.34 1jva s ARG 318 Ca 0.66 -0.55 -0.30 0.00 -1.72 0.00 0.00 55.73 53.82 1jva s ARG 318 Cb -0.18 -2.04 -0.04 0.00 -0.45 0.00 0.00 34.95 32.24 1jva s ARG 318 CO 0.33 -0.38 1.19 -2.00 -0.68 0.00 0.00 175.30 173.76 1jva s GLU 319 N 1.58 4.40 -0.39 3.54 2.12 -1.26 -0.14 118.70 128.54 1jva s GLU 319 Ca 0.02 1.71 -0.25 0.00 0.36 0.00 0.00 54.97 56.80 1jva s GLU 319 Cb -0.15 -3.45 0.02 0.00 0.26 0.00 0.00 34.13 30.81 1jva s GLU 319 CO -0.08 -0.33 0.91 0.08 -0.54 0.00 0.00 175.26 175.30 1jva s VAL 320 N 1.59 4.57 -0.13 3.70 1.01 -0.26 -3.49 120.40 127.39 1jva s VAL 320 Ca 0.57 1.05 -0.10 0.00 0.00 0.00 0.00 61.98 63.50 1jva s VAL 320 Cb -0.27 -4.35 -0.26 0.00 0.00 0.00 0.00 36.38 31.51 1jva s VAL 320 CO 0.26 -0.60 0.38 0.16 0.00 0.00 0.00 175.10 175.30 1jva h ILE 321 N 5.88 0.72 -1.58 2.22 3.07 -0.39 -1.50 117.51 125.92 1jva h ILE 321 Ca -0.24 -2.33 -0.61 0.00 1.55 0.00 0.00 64.86 63.23 1jva h ILE 321 Cb 1.08 2.49 -0.13 0.00 -0.27 0.00 0.00 36.82 39.99 1jva h ILE 321 CO 0.99 0.80 -0.56 -0.75 -1.05 0.00 0.00 178.15 177.57 1jva s LYS 322 N -2.53 1.98 -0.43 0.16 2.20 -1.19 -4.81 119.74 115.13 1jva s LYS 322 Ca -0.23 -2.19 0.05 0.00 -0.36 0.00 0.00 55.97 53.24 1jva s LYS 322 Cb 0.06 -1.29 0.18 0.00 -1.51 0.00 0.00 37.83 35.27 1jva s LYS 322 CO 0.75 -0.25 0.42 1.28 -0.36 0.00 0.00 175.35 177.19 1jva n LEU 323 N -1.01 -1.01 -4.64 5.43 4.77 -1.26 -2.09 117.00 117.18 1jva n LEU 323 Ca -0.10 -4.12 -0.44 0.00 -0.03 0.00 0.00 56.01 51.33 1jva n LEU 323 Cb 0.67 0.59 -0.01 0.00 -2.33 0.00 0.00 43.42 42.34 1jva n LEU 323 CO 0.42 1.88 0.74 -2.65 -1.33 0.00 0.00 177.39 176.46 1jva n PRO 324 N 2.79 1.74 -4.09 3.23 -0.02 -1.24 -4.80 135.00 132.62 1jva n PRO 324 Ca 0.27 0.61 -0.12 0.00 -2.02 0.00 0.00 63.50 62.24 1jva n PRO 324 Cb 0.50 -2.09 -0.11 0.00 -0.02 0.00 0.00 33.50 31.78 1jva n PRO 324 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1jva s ARG 325 N -1.65 0.59 0.00 -0.52 1.81 -1.26 -2.40 118.95 115.53 1jva s ARG 325 Ca 0.58 -0.91 0.00 0.00 -1.72 0.00 0.00 55.73 53.68 1jva s ARG 325 Cb -0.64 -0.24 0.00 0.00 -0.45 0.00 0.00 34.95 33.62 1jva s ARG 325 CO 0.61 0.02 0.00 0.41 -0.68 0.00 0.00 175.30 175.66 1jva n GLY 326 N 1.06 -1.03 3.25 -3.53 0.00 -1.18 -5.00 105.19 98.76 1jva n GLY 326 Ca -0.20 -1.37 -0.17 0.00 0.00 0.00 0.00 46.02 44.28 1jva n GLY 326 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jva s ARG 327 N -1.98 1.05 0.00 1.61 0.52 -1.26 -0.33 118.95 118.55 1jva s ARG 327 Ca 0.00 -1.31 0.00 0.00 -0.52 0.00 0.00 55.73 53.90 1jva s ARG 327 Cb 0.00 -0.83 0.00 0.00 0.52 0.00 0.00 34.95 34.64 1jva s ARG 327 CO 0.00 0.14 0.00 -1.91 0.02 0.00 0.00 175.30 173.55 1jva n GLU 328 N 0.28 0.00 -1.72 3.54 2.13 -1.13 -4.96 120.64 118.79 1jva n GLU 328 Ca -0.14 0.00 -0.40 0.00 0.66 0.00 0.00 57.16 57.28 1jva n GLU 328 Cb 0.58 0.00 0.02 0.00 0.27 0.00 0.00 31.44 32.31 1jva n GLU 328 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 1jva n THR 329 N -0.25 2.73 -4.29 6.31 -1.04 -1.26 -2.89 114.28 113.59 1jva n THR 329 Ca 0.00 -0.50 -0.24 0.00 -2.04 0.00 0.00 64.05 61.27 1jva n THR 329 Cb 0.00 -1.63 -0.08 0.00 -1.82 0.00 0.00 70.33 66.80 1jva n THR 329 CO 0.00 0.00 0.00 -0.04 -0.64 0.00 0.00 175.07 174.39 1jva s MET 330 N -2.32 2.24 -0.04 -2.82 1.00 -1.24 -1.37 119.30 114.74 1jva s MET 330 Ca 0.62 -1.35 0.01 0.00 0.00 0.00 0.00 55.69 54.98 1jva s MET 330 Cb -0.49 -2.18 0.02 0.00 0.00 0.00 0.00 34.83 32.19 1jva s MET 330 CO 0.57 0.39 -0.06 0.71 0.00 0.00 0.00 175.02 176.64 1jva s TYR 331 N -2.09 0.82 -0.19 -0.03 2.02 0.29 -0.02 117.35 118.15 1jva s TYR 331 Ca 0.29 -0.24 -0.13 0.00 -0.37 0.00 0.00 57.07 56.62 1jva s TYR 331 Cb -0.07 -0.69 -0.05 0.00 -0.40 0.00 0.00 41.96 40.75 1jva s TYR 331 CO 0.18 -0.18 0.28 -1.54 -1.57 0.00 0.00 175.55 172.72 1jva s SER 332 N 0.80 6.36 -0.20 2.29 1.04 -0.91 -0.08 113.70 123.00 1jva s SER 332 Ca -0.11 0.42 -0.08 0.00 0.48 0.00 0.00 55.95 56.66 1jva s SER 332 Cb -0.14 -2.17 -0.04 0.00 0.10 0.00 0.00 66.02 63.77 1jva s SER 332 CO 0.01 0.07 0.08 -0.69 0.98 0.00 0.00 173.24 173.69 1jva s VAL 333 N 0.72 4.88 -0.02 5.02 1.01 0.31 -2.08 120.40 130.23 1jva s VAL 333 Ca 0.15 0.00 0.01 0.00 0.00 0.00 0.00 61.98 62.14 1jva s VAL 333 Cb -0.13 -3.22 0.01 0.00 0.00 0.00 0.00 36.38 33.04 1jva s VAL 333 CO 0.04 0.43 -0.02 -0.69 0.00 0.00 0.00 175.10 174.86 1jva s VAL 334 N 0.61 0.23 0.27 2.92 1.01 -0.61 -2.02 120.40 122.80 1jva s VAL 334 Ca 0.04 -0.04 -0.30 0.00 0.00 0.00 0.00 61.98 61.69 1jva s VAL 334 Cb -0.13 -0.25 -0.10 0.00 0.00 0.00 0.00 36.38 35.90 1jva s VAL 334 CO 0.01 0.11 1.39 -1.58 0.00 0.00 0.00 175.10 175.03 1jva s GLN 335 N 0.44 4.30 0.21 2.72 0.74 -0.85 0.91 119.66 128.14 1jva s GLN 335 Ca -0.04 2.26 -0.30 0.00 0.05 0.00 0.00 55.36 57.32 1jva s GLN 335 Cb -0.07 -3.11 -0.09 0.00 1.10 0.00 0.00 33.01 30.84 1jva s GLN 335 CO -0.01 -0.35 1.34 0.15 -0.55 0.00 0.00 175.29 175.87 1jva s LYS 336 N -0.72 4.36 0.00 1.67 1.02 -0.58 -4.79 119.74 120.70 1jva s LYS 336 Ca 0.56 2.11 0.00 0.00 0.02 0.00 0.00 55.97 58.67 1jva s LYS 336 Cb -0.41 -3.17 0.00 0.00 -0.52 0.00 0.00 37.83 33.73 1jva s LYS 336 CO 0.45 -0.29 0.00 -1.13 -0.92 0.00 0.00 175.35 173.46 1jva n SER 337 N 2.57 0.00 0.00 2.83 3.41 -1.26 -4.89 113.62 116.27 1jva n SER 337 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 1jva n SER 337 Cb 0.42 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 1jva n SER 337 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 1jva n PRO 351 N 0.00 0.00 -0.37 4.33 -0.02 -1.26 -5.26 135.00 132.43 1jva n PRO 351 Ca 0.00 0.00 0.08 0.00 -2.02 0.00 0.00 63.50 61.56 1jva n PRO 351 Cb 0.00 0.00 0.23 0.00 -0.02 0.00 0.00 33.50 33.71 1jva n PRO 351 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1jva n GLU 352 N 0.00 2.82 -1.71 -0.52 0.00 -1.26 -5.03 120.64 114.94 1jva n GLU 352 Ca 0.00 -2.67 -0.43 0.00 0.00 0.00 0.00 57.16 54.07 1jva n GLU 352 Cb 0.00 -1.71 -0.03 0.00 0.00 0.00 0.00 31.44 29.70 1jva n GLU 352 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1jva n LEU 353 N -0.38 3.87 -4.78 -1.84 4.77 -1.26 -4.98 117.00 112.40 1jva n LEU 353 Ca 0.19 1.09 -0.37 0.00 -0.03 0.00 0.00 56.01 56.89 1jva n LEU 353 Cb 0.79 -1.55 -0.04 0.00 -2.33 0.00 0.00 43.42 40.29 1jva n LEU 353 CO 0.13 0.06 0.73 -0.76 -1.33 0.00 0.00 177.39 176.23 1jva s LEU 354 N 0.75 4.20 0.09 2.23 1.43 -1.26 -4.88 118.68 121.24 1jva s LEU 354 Ca 0.73 2.04 -0.26 0.00 -1.03 0.00 0.00 54.13 55.61 1jva s LEU 354 Cb -0.54 -4.11 0.08 0.00 0.03 0.00 0.00 46.19 41.65 1jva s LEU 354 CO 0.37 -0.41 0.92 -1.59 0.23 0.00 0.00 176.35 175.87 1jva s LYS 355 N -2.34 1.04 -0.11 1.70 -2.85 -1.26 -2.00 119.74 113.92 1jva s LYS 355 Ca 0.56 -0.50 -0.33 0.00 -1.00 0.00 0.00 55.97 54.69 1jva s LYS 355 Cb -0.23 0.40 0.13 0.00 -2.06 0.00 0.00 37.83 36.07 1jva s LYS 355 CO 0.29 -0.47 1.21 -0.59 0.10 0.00 0.00 175.35 175.88 1jva s PHE 356 N -3.24 -0.11 -0.07 1.78 -0.71 -0.86 -4.98 117.98 109.79 1jva s PHE 356 Ca 0.09 0.03 0.04 0.00 -1.04 0.00 0.00 56.93 56.04 1jva s PHE 356 Cb -0.01 0.53 0.00 0.00 -1.21 0.00 0.00 43.02 42.33 1jva s PHE 356 CO -0.03 -0.27 -0.18 0.99 -1.34 0.00 0.00 175.22 174.38 1jva s THR 357 N -2.49 1.59 0.40 -4.49 2.01 -1.26 0.11 115.64 111.51 1jva s THR 357 Ca 0.11 -0.77 0.05 0.00 0.31 0.00 0.00 61.69 61.39 1jva s THR 357 Cb 0.01 -1.39 -0.02 0.00 0.01 0.00 0.00 72.50 71.11 1jva s THR 357 CO -0.04 0.45 0.17 0.00 -0.69 0.00 0.00 174.62 174.51 1jva s ASN 359 N -3.57 5.43 0.40 0.00 2.20 -0.59 0.11 114.94 118.91 1jva s ASN 359 Ca 0.26 0.03 0.11 0.00 -0.94 0.00 0.00 52.86 52.32 1jva s ASN 359 Cb 0.02 -1.01 0.92 0.00 -2.00 0.00 0.00 41.25 39.18 1jva s ASN 359 CO 0.17 -1.02 1.94 0.00 -2.94 0.00 0.00 177.10 175.26 1jva h ALA 360 N 0.18 1.93 0.00 3.54 0.00 -1.55 -1.85 119.26 121.51 1jva h ALA 360 Ca -0.43 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1jva h ALA 360 Cb 1.29 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1jva h ALA 360 CO 0.53 -0.09 -0.12 -2.37 0.00 0.00 0.00 179.25 177.19 1jva n THR 361 N -4.49 0.18 -1.73 0.00 5.66 -1.26 -2.24 114.28 110.40 1jva n THR 361 Ca 0.12 -0.09 -0.42 0.00 -3.05 0.00 0.00 64.05 60.61 1jva n THR 361 Cb 0.39 -0.38 -0.02 0.00 -1.55 0.00 0.00 70.33 68.77 1jva n THR 361 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 1jva n ASN 362 N -1.74 3.74 -4.59 1.09 2.85 -0.70 -4.09 115.26 111.83 1jva n ASN 362 Ca 0.06 1.13 -0.41 0.00 -0.11 0.00 0.00 54.58 55.25 1jva n ASN 362 Cb 0.37 -1.57 -0.06 0.00 1.24 0.00 0.00 39.78 39.76 1jva n ASN 362 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 1jva s GLU 363 N -0.24 3.80 0.10 1.20 2.02 -1.26 -1.17 118.70 123.13 1jva s GLU 363 Ca 0.66 0.20 -0.30 0.00 0.02 0.00 0.00 54.97 55.55 1jva s GLU 363 Cb -0.52 -3.77 -0.06 0.00 0.10 0.00 0.00 34.13 29.89 1jva s GLU 363 CO 0.46 -0.66 1.04 -0.51 0.02 0.00 0.00 175.26 175.61 1jva s LEU 364 N 2.69 4.45 -0.47 1.80 1.43 0.17 -3.86 118.68 124.88 1jva s LEU 364 Ca 0.25 1.87 -0.26 0.00 -1.03 0.00 0.00 54.13 54.96 1jva s LEU 364 Cb -0.15 -3.59 0.03 0.00 0.03 0.00 0.00 46.19 42.52 1jva s LEU 364 CO 0.13 -0.21 0.99 -0.69 0.23 0.00 0.00 176.35 176.81 1jva s VAL 365 N 0.32 4.39 0.22 -1.59 1.01 -1.26 -1.97 120.40 121.52 1jva s VAL 365 Ca 0.50 0.89 0.05 0.00 0.00 0.00 0.00 61.98 63.42 1jva s VAL 365 Cb -0.25 -4.49 -0.05 0.00 0.00 0.00 0.00 36.38 31.59 1jva s VAL 365 CO 0.31 -0.89 -0.05 0.68 0.00 0.00 0.00 175.10 175.15 1jva s VAL 366 N 3.96 1.29 0.01 2.92 -7.23 -0.54 -4.20 120.40 116.62 1jva s VAL 366 Ca 0.40 -2.08 0.02 0.00 -1.81 0.00 0.00 61.98 58.51 1jva s VAL 366 Cb -0.09 -2.25 -0.01 0.00 0.56 0.00 0.00 36.38 34.59 1jva s VAL 366 CO 0.28 -0.43 -0.06 -0.13 -0.31 0.00 0.00 175.10 174.46 1jva s ARG 367 N -3.78 0.43 -0.03 4.82 0.52 -0.25 -1.64 118.95 119.01 1jva s ARG 367 Ca 0.26 -0.34 0.01 0.00 -0.52 0.00 0.00 55.73 55.14 1jva s ARG 367 Cb 0.04 -0.35 0.02 0.00 0.52 0.00 0.00 34.95 35.18 1jva s ARG 367 CO 0.08 0.09 -0.04 0.99 0.02 0.00 0.00 175.30 176.44 1jva s THR 368 N -0.47 0.44 0.63 0.02 2.01 -1.04 -0.82 115.64 116.40 1jva s THR 368 Ca -0.02 -0.10 -0.18 0.00 0.31 0.00 0.00 61.69 61.70 1jva s THR 368 Cb -0.04 -0.46 -0.02 0.00 0.01 0.00 0.00 72.50 71.99 1jva s THR 368 CO -0.00 0.19 1.20 -2.16 -0.69 0.00 0.00 174.62 173.15 1jva s PRO 369 N 0.70 2.79 0.49 4.92 0.04 -1.26 -0.17 135.00 142.50 1jva s PRO 369 Ca -0.09 1.77 -0.16 0.00 0.04 0.00 0.00 61.00 62.56 1jva s PRO 369 Cb -0.12 -1.91 -0.08 0.00 0.04 0.00 0.00 34.50 32.43 1jva s PRO 369 CO -0.00 -1.34 0.95 1.03 0.04 0.00 0.00 177.00 177.68 1jva s ARG 370 N -3.52 3.97 -0.23 4.56 0.52 -0.86 -4.74 118.95 118.65 1jva s ARG 370 Ca 0.76 0.91 -0.22 0.00 -0.52 0.00 0.00 55.73 56.66 1jva s ARG 370 Cb -0.29 -2.18 0.06 0.00 0.52 0.00 0.00 34.95 33.06 1jva s ARG 370 CO 0.36 -0.20 0.63 0.45 0.02 0.00 0.00 175.30 176.56 1jva s SER 371 N -2.94 -0.65 -0.08 0.23 0.15 -1.26 -4.91 113.70 104.23 1jva s SER 371 Ca 0.58 1.25 -0.20 0.00 0.70 0.00 0.00 55.95 58.28 1jva s SER 371 Cb -0.10 1.27 0.05 0.00 -1.71 0.00 0.00 66.02 65.53 1jva s SER 371 CO 0.28 -0.22 0.48 0.54 1.20 0.00 0.00 173.24 175.53 1jva s VAL 372 N 0.31 0.02 -0.12 4.45 0.11 -1.26 -1.44 120.40 122.47 1jva s VAL 372 Ca -0.00 -0.18 -0.30 0.00 -2.93 0.00 0.00 61.98 58.57 1jva s VAL 372 Cb -0.04 -0.76 0.12 0.00 -1.53 0.00 0.00 36.38 34.16 1jva s VAL 372 CO 0.01 -0.10 0.94 0.00 -3.33 0.00 0.00 175.10 172.62 1jva s ARG 373 N -0.75 0.69 0.20 1.54 1.70 -0.82 -5.00 118.95 116.51 1jva s ARG 373 Ca -0.08 0.08 0.07 0.00 -0.47 0.00 0.00 55.73 55.32 1jva s ARG 373 Cb -0.03 0.32 -0.04 0.00 -0.57 0.00 0.00 34.95 34.63 1jva s ARG 373 CO 0.05 -0.23 0.09 1.03 -1.08 0.00 0.00 175.30 175.16 1jva s ARG 374 N -1.48 2.68 -0.19 3.89 0.52 -1.26 -1.99 118.95 121.12 1jva s ARG 374 Ca -0.02 -1.06 -0.30 0.00 -0.52 0.00 0.00 55.73 53.84 1jva s ARG 374 Cb -0.00 -2.48 0.15 0.00 0.52 0.00 0.00 34.95 33.14 1jva s ARG 374 CO 0.01 0.44 1.12 -0.48 0.02 0.00 0.00 175.30 176.40 1jva s LEU 375 N -3.30 -0.25 0.20 2.53 2.34 -1.09 -5.02 118.68 114.09 1jva s LEU 375 Ca 0.30 0.25 -0.13 0.00 0.06 0.00 0.00 54.13 54.62 1jva s LEU 375 Cb -0.09 1.60 -0.07 0.00 -0.56 0.00 0.00 46.19 47.07 1jva s LEU 375 CO 0.22 -0.25 0.58 -0.94 -1.06 0.00 0.00 176.35 174.90 1jva s SER 376 N -1.21 6.75 -0.24 1.48 1.04 -1.26 -1.36 113.70 118.89 1jva s SER 376 Ca 0.02 1.05 -0.22 0.00 0.48 0.00 0.00 55.95 57.29 1jva s SER 376 Cb -0.01 -2.28 0.06 0.00 0.10 0.00 0.00 66.02 63.90 1jva s SER 376 CO -0.02 -0.01 0.64 -0.60 0.98 0.00 0.00 173.24 174.23 1jva s ARG 377 N -2.43 0.74 -0.19 4.02 3.52 0.16 -4.92 118.95 119.85 1jva s ARG 377 Ca 0.44 0.92 -0.11 0.00 -0.13 0.00 0.00 55.73 56.84 1jva s ARG 377 Cb -0.13 0.34 -0.05 0.00 -1.56 0.00 0.00 34.95 33.56 1jva s ARG 377 CO 0.20 -0.10 0.19 0.95 -0.81 0.00 0.00 175.30 175.73 1jva s THR 378 N 0.45 5.37 -0.42 4.11 -4.23 -1.26 0.11 115.64 119.78 1jva s THR 378 Ca -0.01 0.31 0.02 0.00 -1.18 0.00 0.00 61.69 60.84 1jva s THR 378 Cb -0.05 -3.53 0.12 0.00 1.34 0.00 0.00 72.50 70.39 1jva s THR 378 CO -0.01 0.41 0.19 -0.63 -0.54 0.00 0.00 174.62 174.04 1jva s ILE 379 N 0.50 1.66 -0.59 2.99 1.01 0.85 -4.84 121.20 122.79 1jva s ILE 379 Ca 0.11 -2.45 -0.03 0.00 0.00 0.00 0.00 60.65 58.28 1jva s ILE 379 Cb -0.12 -2.18 -0.04 0.00 0.01 0.00 0.00 42.46 40.13 1jva s ILE 379 CO 0.01 -0.79 0.52 0.29 0.00 0.00 0.00 174.94 174.96 1jva n LYS 380 N 3.81 -1.25 0.00 2.79 5.02 -1.26 -3.74 118.16 123.53 1jva n LYS 380 Ca 0.05 0.51 0.00 0.00 -2.02 0.00 0.00 58.31 56.85 1jva n LYS 380 Cb 0.36 -3.95 0.00 0.00 -0.02 0.00 0.00 35.03 31.43 1jva n LYS 380 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1jva n GLY 381 N -1.35 2.97 3.88 0.72 0.00 -1.26 -5.00 105.19 105.15 1jva n GLY 381 Ca -0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 1jva n GLY 381 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jva s VAL 382 N -1.02 5.44 -0.14 1.61 1.01 -1.25 -5.09 120.40 120.97 1jva s VAL 382 Ca 0.00 0.08 -0.14 0.00 0.00 0.00 0.00 61.98 61.92 1jva s VAL 382 Cb 0.00 -3.42 -0.05 0.00 0.00 0.00 0.00 36.38 32.91 1jva s VAL 382 CO 0.00 0.53 0.31 -1.61 0.00 0.00 0.00 175.10 174.33 1jva s GLU 383 N -1.30 4.21 0.23 2.72 2.02 -1.26 -0.10 118.70 125.21 1jva s GLU 383 Ca 0.19 0.15 0.06 0.00 0.02 0.00 0.00 54.97 55.38 1jva s GLU 383 Cb -0.12 -3.40 -0.05 0.00 0.10 0.00 0.00 34.13 30.66 1jva s GLU 383 CO 0.08 0.28 -0.08 0.71 0.02 0.00 0.00 175.26 176.28 1jva s TYR 384 N 0.31 1.69 -0.27 1.61 1.51 0.31 -1.64 117.35 120.86 1jva s TYR 384 Ca 0.18 -0.71 -0.12 0.00 -1.01 0.00 0.00 57.07 55.41 1jva s TYR 384 Cb -0.13 -0.90 -0.05 0.00 -0.11 0.00 0.00 41.96 40.77 1jva s TYR 384 CO 0.05 0.21 0.21 -0.06 -1.11 0.00 0.00 175.55 174.85 1jva s PHE 385 N -3.13 3.24 -0.11 2.71 0.08 -0.12 -0.67 117.98 119.98 1jva s PHE 385 Ca 0.25 0.18 0.01 0.00 0.12 0.00 0.00 56.93 57.49 1jva s PHE 385 Cb 0.02 -2.39 -0.02 0.00 -0.57 0.00 0.00 43.02 40.07 1jva s PHE 385 CO 0.08 -0.14 -0.14 -2.00 -0.10 0.00 0.00 175.22 172.92 1jva s GLU 386 N 1.71 3.21 -0.20 0.44 2.12 -0.47 -2.61 118.70 122.90 1jva s GLU 386 Ca 0.08 -0.70 -0.03 0.00 0.36 0.00 0.00 54.97 54.68 1jva s GLU 386 Cb -0.16 -2.56 -0.01 0.00 0.26 0.00 0.00 34.13 31.66 1jva s GLU 386 CO 0.10 0.28 -0.07 0.08 -0.54 0.00 0.00 175.26 175.12 1jva s VAL 387 N 0.16 3.28 -0.11 3.70 1.01 0.11 -2.69 120.40 125.86 1jva s VAL 387 Ca -0.08 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 61.37 1jva s VAL 387 Cb -0.15 -2.46 -0.02 0.00 0.00 0.00 0.00 36.38 33.74 1jva s VAL 387 CO 0.05 0.45 -0.12 -0.63 0.00 0.00 0.00 175.10 174.86 1jva s ILE 388 N 1.18 3.21 0.06 2.22 1.01 -0.84 -0.40 121.20 127.64 1jva s ILE 388 Ca 0.02 -0.62 -0.10 0.00 0.00 0.00 0.00 60.65 59.95 1jva s ILE 388 Cb -0.14 -2.34 0.00 0.00 0.01 0.00 0.00 42.46 39.99 1jva s ILE 388 CO -0.02 0.54 0.21 0.42 0.00 0.00 0.00 174.94 176.09 1jva s THR 389 N 0.03 0.12 -0.11 2.92 -4.23 0.02 -1.94 115.64 112.44 1jva s THR 389 Ca -0.04 -0.96 -0.13 0.00 -1.18 0.00 0.00 61.69 59.38 1jva s THR 389 Cb -0.14 -1.08 -0.05 0.00 1.34 0.00 0.00 72.50 72.57 1jva s THR 389 CO 0.04 -0.53 0.29 -0.36 -0.54 0.00 0.00 174.62 173.52 1jva s PHE 390 N -3.07 3.55 0.09 3.99 0.40 -0.52 0.54 117.98 122.96 1jva s PHE 390 Ca -0.01 0.68 -0.25 0.00 -0.60 0.00 0.00 56.93 56.75 1jva s PHE 390 Cb 0.01 -2.25 0.07 0.00 0.51 0.00 0.00 43.02 41.36 1jva s PHE 390 CO -0.07 0.43 0.60 -1.83 0.70 0.00 0.00 175.22 175.06 1jva s GLU 391 N -0.19 1.18 0.02 0.44 -1.05 -0.18 -4.38 118.70 114.54 1jva s GLU 391 Ca 0.18 -0.26 -0.30 0.00 -0.15 0.00 0.00 54.97 54.44 1jva s GLU 391 Cb -0.14 0.54 -0.06 0.00 -0.44 0.00 0.00 34.13 34.04 1jva s GLU 391 CO 0.06 -0.47 1.38 -1.64 0.95 0.00 0.00 175.26 175.55 1jva s MET 392 N -2.89 4.30 0.00 -4.83 -1.94 -1.26 -0.37 119.30 112.31 1jva s MET 392 Ca -0.03 1.96 0.00 0.00 -1.71 0.00 0.00 55.69 55.91 1jva s MET 392 Cb -0.01 -3.52 0.00 0.00 2.01 0.00 0.00 34.83 33.32 1jva s MET 392 CO -0.05 -0.54 0.00 0.41 -0.01 0.00 0.00 175.02 174.83 1jva n GLY 393 N 3.59 5.51 3.49 -0.03 0.00 0.01 -4.91 105.19 112.86 1jva n GLY 393 Ca 0.13 -1.11 -0.17 0.00 0.00 0.00 0.00 46.02 44.86 1jva n GLY 393 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1jva s GLN 394 N 3.16 0.99 -0.02 1.61 1.03 -1.26 -2.41 119.66 122.76 1jva s GLN 394 Ca 0.00 0.26 -0.06 0.00 0.04 0.00 0.00 55.36 55.61 1jva s GLN 394 Cb 0.00 0.47 0.00 0.00 0.03 0.00 0.00 33.01 33.51 1jva s GLN 394 CO 0.00 -0.29 0.12 0.21 -2.54 0.00 0.00 175.29 172.79 1jva s LYS 395 N -1.08 0.34 -0.07 9.60 2.20 -0.13 -4.94 119.74 125.65 1jva s LYS 395 Ca -0.10 -0.18 -0.30 0.00 -0.36 0.00 0.00 55.97 55.03 1jva s LYS 395 Cb -0.01 0.14 -0.04 0.00 -1.51 0.00 0.00 37.83 36.41 1jva s LYS 395 CO 0.09 -0.07 1.49 0.21 -0.36 0.00 0.00 175.35 176.70 1jva s LYS 396 N -0.81 4.22 0.32 4.03 2.47 -1.26 -1.99 119.74 126.71 1jva s LYS 396 Ca -0.09 1.99 -0.15 0.00 -1.56 0.00 0.00 55.97 56.16 1jva s LYS 396 Cb -0.05 -3.83 -0.09 0.00 -1.46 0.00 0.00 37.83 32.40 1jva s LYS 396 CO 0.01 -0.75 0.74 0.00 0.16 0.00 0.00 175.35 175.51 1jva s ALA 397 N 3.52 3.32 0.29 3.13 0.00 0.15 -4.93 121.76 127.24 1jva s ALA 397 Ca 0.66 0.05 0.11 0.00 0.00 0.00 0.00 51.96 52.78 1jva s ALA 397 Cb -0.30 -2.77 0.61 0.00 0.00 0.00 0.00 23.12 20.66 1jva s ALA 397 CO 0.24 0.33 1.23 -1.35 0.00 0.00 0.00 175.76 176.22 1jva h PRO 398 N 2.27 0.00 -0.46 0.00 0.11 -1.95 1.12 132.00 133.09 1jva h PRO 398 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1jva h PRO 398 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1jva h PRO 398 CO 0.65 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.04 1jva n ASP 399 N -2.18 4.36 0.00 -2.05 5.75 -1.26 -4.94 116.55 116.23 1jva n ASP 399 Ca -0.01 -2.64 0.00 0.00 -0.01 0.00 0.00 54.79 52.14 1jva n ASP 399 Cb 0.52 -0.53 0.00 0.00 -1.03 0.00 0.00 41.12 40.08 1jva n ASP 399 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1jva n GLY 400 N 0.42 2.38 3.75 6.12 0.00 0.39 -5.02 105.19 113.24 1jva n GLY 400 Ca 0.22 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.89 1jva n GLY 400 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jva s ARG 401 N -0.23 2.90 -0.80 1.61 0.52 -1.24 -4.65 118.95 117.06 1jva s ARG 401 Ca 0.00 1.73 -0.09 0.00 -0.52 0.00 0.00 55.73 56.85 1jva s ARG 401 Cb 0.00 -1.93 0.21 0.00 0.52 0.00 0.00 34.95 33.75 1jva s ARG 401 CO 0.00 -1.24 0.71 0.42 0.02 0.00 0.00 175.30 175.21 1jva s ILE 402 N -1.76 4.98 -0.01 1.52 -1.09 -1.26 0.32 121.20 123.90 1jva s ILE 402 Ca 0.75 -2.84 -0.27 0.00 -2.23 0.00 0.00 60.65 56.06 1jva s ILE 402 Cb -0.28 -4.11 -0.04 0.00 -1.58 0.00 0.00 42.46 36.46 1jva s ILE 402 CO 0.35 -1.01 0.85 -0.69 -1.23 0.00 0.00 174.94 173.21 1jva s VAL 403 N -0.18 4.90 -0.24 2.92 1.01 -0.84 -4.87 120.40 123.10 1jva s VAL 403 Ca 0.20 1.79 -0.16 0.00 0.00 0.00 0.00 61.98 63.80 1jva s VAL 403 Cb -0.13 -4.19 -0.03 0.00 0.00 0.00 0.00 36.38 32.02 1jva s VAL 403 CO -0.07 0.22 0.43 -1.83 0.00 0.00 0.00 175.10 173.85 1jva s GLU 404 N 0.76 4.10 0.14 2.72 -1.05 -1.26 -0.96 118.70 123.14 1jva s GLU 404 Ca 0.45 0.20 -0.06 0.00 -0.15 0.00 0.00 54.97 55.41 1jva s GLU 404 Cb -0.20 -3.61 -0.02 0.00 -0.44 0.00 0.00 34.13 29.86 1jva s GLU 404 CO 0.24 -0.21 0.18 -0.48 0.95 0.00 0.00 175.26 175.94 1jva s LEU 405 N 1.86 1.36 0.28 1.83 0.05 -1.01 -4.93 118.68 118.12 1jva s LEU 405 Ca 0.19 -0.97 -0.29 0.00 0.05 0.00 0.00 54.13 53.11 1jva s LEU 405 Cb -0.15 0.83 -0.10 0.00 -2.05 0.00 0.00 46.19 44.72 1jva s LEU 405 CO 0.09 -0.81 1.22 -0.69 -0.55 0.00 0.00 176.35 175.62 1jva s VAL 406 N -3.98 3.12 0.07 1.48 1.01 -1.26 -0.81 120.40 120.03 1jva s VAL 406 Ca 0.18 1.08 0.01 0.00 0.00 0.00 0.00 61.98 63.25 1jva s VAL 406 Cb 0.05 -3.69 -0.04 0.00 0.00 0.00 0.00 36.38 32.70 1jva s VAL 406 CO -0.01 0.24 -0.05 -0.54 0.00 0.00 0.00 175.10 174.73 1jva s LYS 407 N -1.33 0.71 -0.28 2.72 1.02 0.51 -4.80 119.74 118.29 1jva s LYS 407 Ca 0.49 -1.21 -0.16 0.00 0.02 0.00 0.00 55.97 55.10 1jva s LYS 407 Cb -0.36 -0.07 -0.03 0.00 -0.52 0.00 0.00 37.83 36.85 1jva s LYS 407 CO 0.45 -0.04 0.43 -2.00 -0.92 0.00 0.00 175.35 173.28 1jva s GLU 408 N -3.53 3.98 -0.08 1.68 2.12 -1.26 -1.01 118.70 120.60 1jva s GLU 408 Ca 0.07 0.10 -0.00 0.00 0.36 0.00 0.00 54.97 55.50 1jva s GLU 408 Cb 0.04 -3.67 -0.03 0.00 0.26 0.00 0.00 34.13 30.72 1jva s GLU 408 CO -0.06 -0.35 -0.04 0.08 -0.54 0.00 0.00 175.26 174.36 1jva s VAL 409 N 2.18 3.96 -0.08 3.70 1.01 0.19 -4.94 120.40 126.43 1jva s VAL 409 Ca 0.17 -0.38 0.05 0.00 0.00 0.00 0.00 61.98 61.83 1jva s VAL 409 Cb -0.16 -2.64 -0.01 0.00 0.00 0.00 0.00 36.38 33.57 1jva s VAL 409 CO 0.10 0.60 -0.24 -0.55 0.00 0.00 0.00 175.10 175.00 1jva s SER 410 N -0.80 3.09 -0.07 3.32 0.15 -1.26 -0.80 113.70 117.32 1jva s SER 410 Ca 0.12 -0.53 0.03 0.00 0.70 0.00 0.00 55.95 56.27 1jva s SER 410 Cb -0.11 -1.10 0.01 0.00 -1.71 0.00 0.00 66.02 63.10 1jva s SER 410 CO 0.02 0.21 -0.17 -0.54 1.20 0.00 0.00 173.24 173.96 1jva s LYS 411 N 0.06 2.12 0.11 5.44 -0.14 0.46 -4.97 119.74 122.82 1jva s LYS 411 Ca -0.10 -0.60 0.03 0.00 -1.36 0.00 0.00 55.97 53.93 1jva s LYS 411 Cb -0.16 -1.71 -0.04 0.00 -1.68 0.00 0.00 37.83 34.25 1jva s LYS 411 CO 0.06 0.13 -0.08 -1.12 -0.76 0.00 0.00 175.35 173.58 1jva s SER 412 N 0.41 1.38 -0.25 2.83 0.01 -1.26 0.04 113.70 116.86 1jva s SER 412 Ca -0.13 -0.99 -0.27 0.00 1.31 0.00 0.00 55.95 55.88 1jva s SER 412 Cb -0.15 0.05 0.13 0.00 0.21 0.00 0.00 66.02 66.26 1jva s SER 412 CO 0.05 -0.40 1.07 -0.72 0.41 0.00 0.00 173.24 173.65 1jva s TYR 413 N -3.39 -0.39 0.23 2.43 -0.85 -1.07 -4.98 117.35 109.32 1jva s TYR 413 Ca 0.13 0.87 -0.31 0.00 -0.52 0.00 0.00 57.07 57.23 1jva s TYR 413 Cb 0.03 0.40 -0.14 0.00 0.38 0.00 0.00 41.96 42.64 1jva s TYR 413 CO -0.03 -0.24 1.25 -2.30 -1.52 0.00 0.00 175.55 172.71 1jva n PRO 414 N 1.64 1.61 0.29 -3.49 -0.02 -1.26 -0.94 135.00 132.83 1jva n PRO 414 Ca -0.11 0.57 0.18 0.00 -2.02 0.00 0.00 63.50 62.12 1jva n PRO 414 Cb 0.57 -2.12 1.00 0.00 -0.02 0.00 0.00 33.50 32.92 1jva n PRO 414 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1jva h ILE 415 N 2.71 0.26 -1.02 4.25 1.08 -1.63 -2.42 117.51 120.76 1jva h ILE 415 Ca -0.44 0.00 0.27 0.00 -0.39 0.00 0.00 64.86 64.30 1jva h ILE 415 Cb 1.31 0.92 -0.13 0.00 -3.07 0.00 0.00 36.82 35.86 1jva h ILE 415 CO 0.70 0.00 0.60 0.28 -0.69 0.00 0.00 178.15 179.05 1jva h SER 416 N 0.00 0.61 -0.40 1.72 0.02 -1.89 -0.04 113.55 113.57 1jva h SER 416 Ca 0.02 0.14 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 1jva h SER 416 Cb 0.20 0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.79 1jva h SER 416 CO -0.00 0.05 0.00 -1.84 -1.14 0.00 0.00 176.83 173.90 1jva n GLU 417 N -4.88 2.10 -0.91 3.45 0.28 -0.91 -5.05 120.64 114.71 1jva n GLU 417 Ca 0.28 -1.50 0.11 0.00 -0.16 0.00 0.00 57.16 55.89 1jva n GLU 417 Cb 0.83 -1.39 -0.06 0.00 1.43 0.00 0.00 31.44 32.24 1jva n GLU 417 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1jva n GLY 418 N 1.04 -3.13 0.12 -1.84 0.00 -0.03 -4.33 105.19 97.01 1jva n GLY 418 Ca 0.14 -1.19 0.06 0.00 0.00 0.00 0.00 46.02 45.03 1jva n GLY 418 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1jva n PRO 419 N -3.46 0.08 -0.19 1.61 -0.02 -1.26 -3.89 135.00 127.86 1jva n PRO 419 Ca -0.06 0.53 -0.00 0.00 -2.02 0.00 0.00 63.50 61.94 1jva n PRO 419 Cb 0.43 -1.93 0.02 0.00 -0.02 0.00 0.00 33.50 32.01 1jva n PRO 419 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1jva n GLU 420 N -1.90 -0.12 0.10 -0.52 4.07 -1.26 -0.41 120.64 120.60 1jva n GLU 420 Ca -0.01 0.77 -0.20 0.00 -0.06 0.00 0.00 57.16 57.66 1jva n GLU 420 Cb 0.20 -1.15 -0.12 0.00 -0.06 0.00 0.00 31.44 30.30 1jva n GLU 420 CO 0.00 0.00 0.00 -0.09 -0.06 0.00 0.00 177.13 176.98 1jva h ARG 421 N 0.00 0.53 0.53 5.31 2.43 -1.86 -3.18 114.38 118.14 1jva h ARG 421 Ca 0.18 -0.74 -0.02 0.00 -0.81 0.00 0.00 59.98 58.59 1jva h ARG 421 Cb 0.30 0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 30.10 1jva h ARG 421 CO -0.50 1.33 -0.35 0.00 -1.51 0.00 0.00 179.97 178.94 1jva h ALA 422 N 0.38 -0.86 -0.43 2.80 0.00 -1.00 -1.74 119.26 118.41 1jva h ALA 422 Ca -0.18 -0.17 0.06 0.00 0.00 0.00 0.00 54.91 54.63 1jva h ALA 422 Cb 1.92 0.44 -0.02 0.00 0.00 0.00 0.00 17.79 20.13 1jva h ALA 422 CO 0.23 -1.00 0.29 -0.91 0.00 0.00 0.00 179.25 177.86 1jva h ASN 423 N -0.84 0.28 -0.46 0.00 4.21 -1.42 -1.60 115.58 115.76 1jva h ASN 423 Ca -0.06 0.00 -0.09 0.00 1.21 0.00 0.00 56.30 57.36 1jva h ASN 423 Cb 0.69 -0.06 -0.02 0.00 -1.12 0.00 0.00 38.32 37.82 1jva h ASN 423 CO 0.05 0.19 -0.05 -0.08 -1.29 0.00 0.00 177.43 176.25 1jva h GLU 424 N 0.33 0.84 -0.06 0.81 4.81 -1.45 -1.49 114.58 118.37 1jva h GLU 424 Ca 0.19 -0.29 -0.01 0.00 -0.13 0.00 0.00 59.36 59.12 1jva h GLU 424 Cb 0.34 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.65 1jva h GLU 424 CO -0.04 0.92 0.00 1.25 -0.73 0.00 0.00 179.01 180.41 1jva h LEU 425 N 0.68 0.11 -0.59 1.64 6.46 -0.47 -0.21 115.31 122.93 1jva h LEU 425 Ca 0.12 -0.29 0.10 0.00 -0.12 0.00 0.00 57.88 57.69 1jva h LEU 425 Cb 0.57 -0.03 -0.08 0.00 -0.73 0.00 0.00 40.66 40.40 1jva h LEU 425 CO 0.03 0.37 0.16 0.58 -0.62 0.00 0.00 178.44 178.96 1jva h VAL 426 N -0.16 0.69 -0.14 1.05 2.07 -1.27 -0.18 116.25 118.31 1jva h VAL 426 Ca 0.02 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 1jva h VAL 426 Cb 0.32 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 1jva h VAL 426 CO 0.00 0.05 0.04 -0.08 0.02 0.00 0.00 177.57 177.61 1jva h GLU 427 N 0.30 0.21 -0.10 1.57 4.22 -1.10 -1.03 114.58 118.65 1jva h GLU 427 Ca 0.30 -0.05 0.03 0.00 0.08 0.00 0.00 59.36 59.72 1jva h GLU 427 Cb 0.42 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.64 1jva h GLU 427 CO -0.36 0.35 0.13 1.03 -2.18 0.00 0.00 179.01 177.98 1jva h SER 428 N 0.04 0.00 0.31 1.04 0.87 -0.27 -0.42 113.55 115.12 1jva h SER 428 Ca 0.04 0.00 -0.33 0.00 -1.23 0.00 0.00 61.79 60.27 1jva h SER 428 Cb 0.23 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.21 1jva h SER 428 CO -0.00 0.00 -1.53 0.22 -0.53 0.00 0.00 176.83 174.99 1jva h TYR 429 N 0.00 0.80 -0.87 2.24 3.20 -0.42 -3.17 116.97 118.76 1jva h TYR 429 Ca 0.05 -0.59 0.04 0.00 3.14 0.00 0.00 58.73 61.37 1jva h TYR 429 Cb 0.31 -0.03 -0.05 0.00 1.54 0.00 0.00 36.73 38.50 1jva h TYR 429 CO 0.00 1.54 0.57 0.00 -1.64 0.00 0.00 178.16 178.63 1jva h ARG 430 N 0.12 1.04 -0.63 1.82 2.47 0.22 -2.28 114.38 117.14 1jva h ARG 430 Ca -0.26 -0.06 0.00 0.00 -1.26 0.00 0.00 59.98 58.40 1jva h ARG 430 Cb 2.12 -0.23 0.00 0.00 -1.65 0.00 0.00 29.97 30.20 1jva h ARG 430 CO 0.23 0.69 0.00 0.36 0.56 0.00 0.00 179.97 181.81 1jva n LYS 431 N -4.45 3.85 0.18 0.04 2.85 -0.99 -4.32 118.16 115.32 1jva n LYS 431 Ca 0.12 -2.92 0.09 0.00 -1.05 0.00 0.00 58.31 54.55 1jva n LYS 431 Cb 0.12 -1.93 0.10 0.00 -0.65 0.00 0.00 35.03 32.67 1jva n LYS 431 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1jva h ALA 432 N 4.00 0.84 -2.55 0.58 0.00 -1.37 -3.47 119.26 117.29 1jva h ALA 432 Ca 0.00 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.64 1jva h ALA 432 Cb 1.51 -0.01 -0.17 0.00 0.00 0.00 0.00 17.79 19.12 1jva h ALA 432 CO 0.26 0.20 -0.45 0.45 0.00 0.00 0.00 179.25 179.71 1jva s SER 433 N -6.16 0.13 0.05 0.00 0.15 -1.26 -5.03 113.70 101.58 1jva s SER 433 Ca 0.05 -0.51 0.23 0.00 0.70 0.00 0.00 55.95 56.41 1jva s SER 433 Cb 0.06 0.27 -0.05 0.00 -1.71 0.00 0.00 66.02 64.59 1jva s SER 433 CO 0.71 -0.57 0.92 -0.46 1.20 0.00 0.00 173.24 175.04 1jva n ASN 434 N 0.56 0.56 -4.90 5.45 6.94 -1.26 -4.93 115.26 117.69 1jva n ASN 434 Ca -0.18 -0.17 -0.22 0.00 -0.02 0.00 0.00 54.58 53.99 1jva n ASN 434 Cb 0.59 0.99 -0.03 0.00 -2.36 0.00 0.00 39.78 38.97 1jva n ASN 434 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1jva s LYS 435 N -3.26 3.18 -0.11 -3.83 1.02 -1.26 -5.01 119.74 110.48 1jva s LYS 435 Ca 0.01 -0.89 0.15 0.00 0.02 0.00 0.00 55.97 55.26 1jva s LYS 435 Cb 0.14 -2.73 0.61 0.00 -0.52 0.00 0.00 37.83 35.33 1jva s LYS 435 CO 0.83 0.42 1.49 0.00 -0.92 0.00 0.00 175.35 177.17 1jva n ALA 436 N -1.24 3.08 -3.48 5.17 0.00 -1.26 -4.93 120.51 117.84 1jva n ALA 436 Ca -0.08 -1.34 -0.09 0.00 0.00 0.00 0.00 53.44 51.93 1jva n ALA 436 Cb 0.57 -1.03 -0.03 0.00 0.00 0.00 0.00 19.45 18.95 1jva n ALA 436 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1jva s TYR 437 N -1.87 -0.08 -0.11 0.00 -0.85 -1.26 -2.02 117.35 111.15 1jva s TYR 437 Ca 0.43 -0.29 -0.08 0.00 -0.52 0.00 0.00 57.07 56.61 1jva s TYR 437 Cb 0.28 0.48 -0.04 0.00 0.38 0.00 0.00 41.96 43.06 1jva s TYR 437 CO 0.20 -1.04 0.16 -0.06 -1.52 0.00 0.00 175.55 173.29 1jva s PHE 438 N -3.91 3.60 -0.26 -3.49 0.08 0.76 -4.81 117.98 109.95 1jva s PHE 438 Ca 0.12 0.56 -0.01 0.00 0.12 0.00 0.00 56.93 57.72 1jva s PHE 438 Cb -0.03 -1.97 0.04 0.00 -0.57 0.00 0.00 43.02 40.49 1jva s PHE 438 CO 0.02 0.72 -0.06 -1.21 -0.10 0.00 0.00 175.22 174.59 1jva s GLU 439 N -1.00 2.61 0.00 0.44 2.02 -1.26 -2.49 118.70 119.02 1jva s GLU 439 Ca 0.15 -1.13 0.00 0.00 0.02 0.00 0.00 54.97 54.02 1jva s GLU 439 Cb -0.12 -3.00 0.00 0.00 0.10 0.00 0.00 34.13 31.11 1jva s GLU 439 CO 0.05 -0.49 0.00 -2.67 0.02 0.00 0.00 175.26 172.17 1jva n TRP 440 N 4.61 -0.45 -3.95 1.61 4.27 -0.65 -5.05 117.44 117.82 1jva n TRP 440 Ca -0.15 0.00 -0.09 0.00 -3.89 0.00 0.00 57.50 53.36 1jva n TRP 440 Cb 0.45 0.00 -0.10 0.00 -1.36 0.00 0.00 31.31 30.30 1jva n TRP 440 CO 0.00 0.00 0.00 0.95 -2.29 0.00 0.00 177.69 176.35 1jva s THR 441 N -2.45 0.12 -0.09 -1.67 -4.23 -1.26 -1.47 115.64 104.60 1jva s THR 441 Ca 0.00 -1.00 -0.07 0.00 -1.18 0.00 0.00 61.69 59.44 1jva s THR 441 Cb 0.00 -0.58 0.03 0.00 1.34 0.00 0.00 72.50 73.29 1jva s THR 441 CO 0.00 -0.55 0.23 -0.51 -0.54 0.00 0.00 174.62 173.25 1jva s ILE 442 N -1.97 -0.01 0.59 2.99 2.07 -0.83 -4.91 121.20 119.12 1jva s ILE 442 Ca -0.11 0.04 -0.19 0.00 -1.41 0.00 0.00 60.65 58.98 1jva s ILE 442 Cb -0.06 -0.33 -0.04 0.00 0.13 0.00 0.00 42.46 42.17 1jva s ILE 442 CO -0.02 0.02 1.19 -1.61 -1.91 0.00 0.00 174.94 172.60 1jva s GLU 443 N 0.40 3.03 0.19 3.50 2.02 -1.26 0.41 118.70 127.00 1jva s GLU 443 Ca -0.02 1.76 -0.14 0.00 0.02 0.00 0.00 54.97 56.58 1jva s GLU 443 Cb -0.04 -1.95 0.18 0.00 0.10 0.00 0.00 34.13 32.43 1jva s GLU 443 CO -0.02 -1.14 1.67 0.00 0.02 0.00 0.00 175.26 175.79 1jva h ALA 444 N 0.89 0.41 0.00 5.21 0.00 -0.68 -1.50 119.26 123.61 1jva h ALA 444 Ca -0.50 0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 1jva h ALA 444 Cb 1.29 0.31 -0.00 0.00 0.00 0.00 0.00 17.79 19.38 1jva h ALA 444 CO 0.55 -0.41 -0.12 0.07 0.00 0.00 0.00 179.25 179.34 1jva h ARG 445 N 0.06 0.00 -0.00 0.00 0.11 -1.79 -2.92 114.38 109.85 1jva h ARG 445 Ca 0.25 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.33 1jva h ARG 445 Cb 0.38 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.46 1jva h ARG 445 CO -0.46 0.12 -0.01 -0.25 0.10 0.00 0.00 179.97 179.47 1jva n ASP 446 N -3.45 0.03 -0.03 0.08 8.00 -0.57 -4.01 116.55 116.59 1jva n ASP 446 Ca -0.01 0.05 -0.01 0.00 0.71 0.00 0.00 54.79 55.53 1jva n ASP 446 Cb 0.28 -0.34 0.26 0.00 -0.02 0.00 0.00 41.12 41.31 1jva n ASP 446 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1jva h LEU 447 N 0.02 0.56 -0.78 0.64 5.85 -1.46 -1.54 115.31 118.60 1jva h LEU 447 Ca 0.00 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.61 1jva h LEU 447 Cb 0.36 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.25 1jva h LEU 447 CO 0.00 0.62 0.00 -1.54 -0.34 0.00 0.00 178.44 177.18 1jva n SER 448 N -4.27 0.51 0.26 1.25 3.41 -1.26 -2.02 113.62 111.51 1jva n SER 448 Ca 0.02 0.66 0.15 0.00 -0.26 0.00 0.00 58.87 59.44 1jva n SER 448 Cb 0.25 -0.76 0.62 0.00 -0.26 0.00 0.00 64.21 64.06 1jva n SER 448 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1jva h LEU 449 N 0.00 0.00-10.14 1.04 3.38 -1.54 -3.45 115.31 104.60 1jva h LEU 449 Ca 0.00 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.47 1jva h LEU 449 Cb 0.22 0.00 0.08 0.00 0.09 0.00 0.00 40.66 41.06 1jva h LEU 449 CO 0.00 0.07 0.40 -0.76 0.09 0.00 0.00 178.44 178.24 1jva s LEU 450 N -6.39 3.58 0.70 1.67 1.43 -0.86 -5.03 118.68 113.78 1jva s LEU 450 Ca 0.01 2.08 -0.11 0.00 -1.03 0.00 0.00 54.13 55.08 1jva s LEU 450 Cb 0.09 -4.57 0.01 0.00 0.03 0.00 0.00 46.19 41.76 1jva s LEU 450 CO 0.57 -1.40 1.06 -0.83 0.23 0.00 0.00 176.35 175.99 1jva s GLY 451 N -2.18 1.67 0.15 -3.19 0.00 -1.26 -4.76 107.32 97.74 1jva s GLY 451 Ca 0.70 0.09 -0.18 0.00 0.00 0.00 0.00 44.72 45.32 1jva s GLY 451 CO 0.34 0.40 1.68 0.23 0.00 0.00 0.00 173.10 175.74 1jva h SER 452 N -0.73 -0.31 -0.27 1.64 0.87 -1.97 0.14 113.55 112.93 1jva h SER 452 Ca -0.44 0.10 -0.00 0.00 -1.23 0.00 0.00 61.79 60.22 1jva h SER 452 Cb 1.21 0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 63.36 1jva h SER 452 CO 0.57 -0.11 0.16 0.45 -0.53 0.00 0.00 176.83 177.36 1jva h HIS 453 N -0.01 0.36 -0.34 2.24 3.86 -2.00 -2.18 115.15 117.09 1jva h HIS 453 Ca 0.15 -0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.30 1jva h HIS 453 Cb 0.24 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 28.58 1jva h HIS 453 CO -0.30 0.28 -0.01 0.28 0.86 0.00 0.00 177.93 179.04 1jva h VAL 454 N 0.33 1.26 -0.75 2.45 2.07 -1.88 -2.54 116.25 117.19 1jva h VAL 454 Ca 0.10 -1.00 0.05 0.00 0.82 0.00 0.00 66.70 66.66 1jva h VAL 454 Cb 0.03 1.24 -0.05 0.00 -1.52 0.00 0.00 31.29 31.00 1jva h VAL 454 CO -0.02 0.33 0.46 -0.09 0.02 0.00 0.00 177.57 178.27 1jva h ARG 455 N 0.40 0.85 -0.15 1.57 9.65 -0.63 -2.08 114.38 124.00 1jva h ARG 455 Ca 0.09 -0.05 -0.11 0.00 -1.10 0.00 0.00 59.98 58.81 1jva h ARG 455 Cb 0.47 -0.19 -0.01 0.00 -1.39 0.00 0.00 29.97 28.85 1jva h ARG 455 CO 0.02 0.56 -0.40 0.87 2.80 0.00 0.00 179.97 183.83 1jva h LYS 456 N 0.88 0.33 -0.06 0.20 1.57 -1.32 -3.03 116.57 115.14 1jva h LYS 456 Ca 0.32 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1jva h LYS 456 Cb 0.10 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.40 1jva h LYS 456 CO -0.14 0.68 0.00 0.00 -0.57 0.00 0.00 179.45 179.42 1jva n ALA 457 N -2.48 2.57 -2.57 3.86 0.00 -0.96 -4.85 120.51 116.07 1jva n ALA 457 Ca -0.01 -0.45 -0.38 0.00 0.00 0.00 0.00 53.44 52.60 1jva n ALA 457 Cb 0.48 -1.17 -0.06 0.00 0.00 0.00 0.00 19.45 18.70 1jva n ALA 457 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1jva s THR 458 N -1.94 5.09 0.07 0.00 2.01 -0.81 -4.15 115.64 115.91 1jva s THR 458 Ca 0.37 0.84 -0.00 0.00 0.31 0.00 0.00 61.69 63.21 1jva s THR 458 Cb 0.20 -3.73 -0.04 0.00 0.01 0.00 0.00 72.50 68.94 1jva s THR 458 CO 0.31 0.50 -0.03 -0.72 -0.69 0.00 0.00 174.62 174.00 1jva s TYR 459 N -0.53 0.65 0.59 4.92 1.13 -0.00 -4.71 117.35 119.40 1jva s TYR 459 Ca 0.24 -1.06 0.08 0.00 -1.41 0.00 0.00 57.07 54.92 1jva s TYR 459 Cb -0.16 -0.43 0.09 0.00 -1.10 0.00 0.00 41.96 40.35 1jva s TYR 459 CO 0.12 -0.35 0.81 -0.65 -2.51 0.00 0.00 175.55 172.97 1jva s GLN 460 N -3.92 2.24 0.08 -3.49 -0.21 -0.88 -1.09 119.66 112.40 1jva s GLN 460 Ca 0.10 -1.52 -0.04 0.00 0.02 0.00 0.00 55.36 53.93 1jva s GLN 460 Cb 0.07 -2.60 -0.03 0.00 1.00 0.00 0.00 33.01 31.45 1jva s GLN 460 CO -0.07 -0.91 0.07 0.95 -2.12 0.00 0.00 175.29 173.20 1jva s THR 461 N -2.72 0.17 0.03 -0.19 -4.23 -1.26 -0.30 115.64 107.14 1jva s THR 461 Ca 0.62 -1.62 0.06 0.00 -1.18 0.00 0.00 61.69 59.57 1jva s THR 461 Cb -0.06 -1.57 -0.02 0.00 1.34 0.00 0.00 72.50 72.19 1jva s THR 461 CO 0.39 -0.77 -0.16 -0.72 -0.54 0.00 0.00 174.62 172.82 1jva s TYR 462 N -3.92 1.45 0.12 3.99 -0.85 0.56 -0.70 117.35 118.00 1jva s TYR 462 Ca 0.10 -0.34 0.04 0.00 -0.52 0.00 0.00 57.07 56.35 1jva s TYR 462 Cb 0.07 -0.88 -0.04 0.00 0.38 0.00 0.00 41.96 41.49 1jva s TYR 462 CO -0.08 0.04 0.12 0.00 -1.52 0.00 0.00 175.55 174.11 1jva s ALA 463 N -0.72 3.59 0.62 9.51 0.00 -0.13 -1.01 121.76 133.62 1jva s ALA 463 Ca 0.04 -1.10 -0.15 0.00 0.00 0.00 0.00 51.96 50.75 1jva s ALA 463 Cb -0.08 -1.43 -0.02 0.00 0.00 0.00 0.00 23.12 21.59 1jva s ALA 463 CO 0.01 0.63 1.07 -1.25 0.00 0.00 0.00 175.76 176.23 1jva s PRO 464 N -2.74 3.15 -0.56 0.00 0.04 -1.26 -4.85 135.00 128.78 1jva s PRO 464 Ca 0.30 1.25 -0.25 0.00 0.04 0.00 0.00 61.00 62.34 1jva s PRO 464 Cb -0.11 -2.01 0.04 0.00 0.04 0.00 0.00 34.50 32.46 1jva s PRO 464 CO 0.23 -0.95 0.99 0.42 0.04 0.00 0.00 177.00 177.73 1jva s ILE 465 N -2.45 4.32 -0.19 0.56 1.01 0.29 -4.87 121.20 119.87 1jva s ILE 465 Ca 0.64 0.40 0.18 0.00 0.00 0.00 0.00 60.65 61.87 1jva s ILE 465 Cb -0.17 -4.58 0.01 0.00 0.01 0.00 0.00 42.46 37.73 1jva s ILE 465 CO 0.39 -1.16 1.17 -0.07 0.00 0.00 0.00 174.94 175.27 1jva h LEU 466 N 11.16 0.00-10.01 2.97 3.38 -1.85 -3.45 115.31 117.50 1jva h LEU 466 Ca -0.26 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.16 1jva h LEU 466 Cb 1.07 0.00 0.13 0.00 0.09 0.00 0.00 40.66 41.95 1jva h LEU 466 CO 1.11 0.40 0.64 0.00 0.09 0.00 0.00 178.44 180.68 1jva n TYR 467 N -3.00 2.48 -3.85 1.13 9.36 -1.26 -4.93 117.16 117.09 1jva n TYR 467 Ca -0.02 0.43 -0.28 0.00 3.32 0.00 0.00 57.90 61.35 1jva n TYR 467 Cb 0.72 -2.41 -0.16 0.00 -0.63 0.00 0.00 39.34 36.86 1jva n TYR 467 CO 0.00 0.00 0.00 -1.21 0.22 0.00 0.00 176.86 175.87 1jva s GLU 468 N -2.68 1.18 0.64 2.98 2.02 -1.26 -4.54 118.70 117.04 1jva s GLU 468 Ca 0.67 -0.48 -0.08 0.00 0.02 0.00 0.00 54.97 55.10 1jva s GLU 468 Cb -0.43 -1.98 0.14 0.00 0.10 0.00 0.00 34.13 31.95 1jva s GLU 468 CO 0.53 -0.49 0.87 0.27 0.02 0.00 0.00 175.26 176.47 1jva n ASN 469 N 4.92 0.36 -1.59 -0.19 0.23 0.50 -4.80 115.26 114.70 1jva n ASN 469 Ca -0.11 -1.50 0.03 0.00 -0.53 0.00 0.00 54.58 52.47 1jva n ASN 469 Cb 0.47 -0.64 0.05 0.00 -2.08 0.00 0.00 39.78 37.59 1jva n ASN 469 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1jva n ASP 470 N -3.39 1.33 -0.35 0.53 8.00 -1.26 -2.83 116.55 118.57 1jva n ASP 470 Ca 0.12 -2.35 0.09 0.00 0.71 0.00 0.00 54.79 53.36 1jva n ASP 470 Cb 0.41 -0.36 0.27 0.00 -0.02 0.00 0.00 41.12 41.42 1jva n ASP 470 CO 0.00 0.00 0.00 -0.74 -0.39 0.00 0.00 177.20 176.07 1jva h HIS 471 N 1.29 1.11 0.05 1.24 -0.00 -1.94 0.16 115.15 117.05 1jva h HIS 471 Ca -0.16 0.03 -0.00 0.00 -0.00 0.00 0.00 60.37 60.24 1jva h HIS 471 Cb 1.66 -0.35 0.00 0.00 -0.00 0.00 0.00 27.41 28.72 1jva h HIS 471 CO 0.34 0.39 -0.02 0.35 -0.00 0.00 0.00 177.93 178.98 1jva h PHE 472 N 0.92 -0.06 -0.51 5.26 3.57 -1.98 0.15 116.94 124.28 1jva h PHE 472 Ca 0.52 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 62.01 1jva h PHE 472 Cb 0.61 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.35 1jva h PHE 472 CO -0.00 -0.03 0.30 0.35 -2.23 0.00 0.00 178.31 176.70 1jva h PHE 473 N -0.08 0.69 -0.18 0.41 3.04 -1.74 -2.69 116.94 116.38 1jva h PHE 473 Ca -0.01 -0.01 0.04 0.00 3.98 0.00 0.00 57.97 61.98 1jva h PHE 473 Cb 0.06 -0.22 -0.04 0.00 2.56 0.00 0.00 35.95 38.31 1jva h PHE 473 CO -0.07 0.49 -0.08 -0.44 -2.02 0.00 0.00 178.31 176.19 1jva h ASP 474 N 0.69 -0.27 -0.05 0.41 3.32 -0.27 -2.60 116.42 117.65 1jva h ASP 474 Ca 0.18 0.07 0.04 0.00 0.02 0.00 0.00 57.03 57.34 1jva h ASP 474 Cb 0.01 0.16 -0.05 0.00 0.22 0.00 0.00 39.33 39.67 1jva h ASP 474 CO -0.03 -0.11 -0.22 0.22 -1.72 0.00 0.00 179.24 177.38 1jva h TYR 475 N -0.05 -0.58 -0.01 4.55 3.20 -0.54 -2.97 116.97 120.56 1jva h TYR 475 Ca 0.10 0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.02 1jva h TYR 475 Cb 0.20 0.26 -0.05 0.00 1.54 0.00 0.00 36.73 38.69 1jva h TYR 475 CO -0.24 -0.30 -0.28 0.52 -1.64 0.00 0.00 178.16 176.23 1jva h MET 476 N -0.32 -0.40 -0.82 1.82 2.86 -1.25 -2.60 114.93 114.21 1jva h MET 476 Ca 0.08 0.03 0.15 0.00 -2.06 0.00 0.00 59.70 57.89 1jva h MET 476 Cb 0.42 0.09 -0.10 0.00 0.06 0.00 0.00 31.60 32.08 1jva h MET 476 CO -0.23 -0.27 0.40 1.96 1.06 0.00 0.00 176.91 179.82 1jva h GLN 477 N -0.42 0.54 0.00 1.72 1.08 -1.44 0.36 115.11 116.97 1jva h GLN 477 Ca 0.07 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.23 1jva h GLN 477 Cb 0.51 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 27.81 1jva h GLN 477 CO -0.25 0.36 0.00 1.17 -0.95 0.00 0.00 178.83 179.16 1jva n LYS 478 N -4.92 0.30 -0.04 1.46 4.81 -1.00 -4.82 118.16 113.95 1jva n LYS 478 Ca 0.16 0.10 0.00 0.00 -0.87 0.00 0.00 58.31 57.70 1jva n LYS 478 Cb 0.44 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 33.99 1jva n LYS 478 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1jva n SER 479 N -1.20 1.73 -4.15 3.14 3.41 0.13 -5.09 113.62 111.58 1jva n SER 479 Ca 0.09 -0.02 -0.38 0.00 -0.26 0.00 0.00 58.87 58.30 1jva n SER 479 Cb 0.10 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 63.95 1jva n SER 479 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1jva s LYS 480 N 0.94 2.28 0.00 4.33 -0.14 -1.26 -4.67 119.74 121.22 1jva s LYS 480 Ca 0.00 -1.91 0.00 0.00 -1.36 0.00 0.00 55.97 52.70 1jva s LYS 480 Cb 0.00 -3.74 0.00 0.00 -1.68 0.00 0.00 37.83 32.41 1jva s LYS 480 CO 0.00 -1.14 0.00 1.19 -0.76 0.00 0.00 175.35 174.64 1jva n PHE 481 N 4.55 0.00 -2.27 3.18 3.72 -1.26 -4.84 117.46 120.53 1jva n PHE 481 Ca -0.03 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.35 1jva n PHE 481 Cb 0.41 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.93 1jva n PHE 481 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 176.76 178.29 1jva n HIS 482 N 0.00 -3.96 -1.27 1.38 -0.00 -1.26 -4.61 115.22 105.49 1jva n HIS 482 Ca 0.00 2.34 -0.42 0.00 -0.00 0.00 0.00 57.72 59.63 1jva n HIS 482 Cb 0.02 -3.56 -0.01 0.00 -0.00 0.00 0.00 29.99 26.43 1jva n HIS 482 CO 0.00 0.00 0.00 1.47 -0.00 0.00 0.00 176.34 177.81 1jva n LEU 483 N 1.50 -2.09 -3.61 0.27 -0.00 -1.26 -4.99 117.00 106.81 1jva n LEU 483 Ca -0.17 0.90 -0.16 0.00 -0.00 0.00 0.00 56.01 56.57 1jva n LEU 483 Cb 0.27 -0.87 -0.07 0.00 -0.00 0.00 0.00 43.42 42.75 1jva n LEU 483 CO 0.16 -3.52 0.30 -0.89 -0.00 0.00 0.00 177.39 173.44 1jva s THR 484 N -1.33 0.02 0.25 1.47 2.01 -1.26 -5.00 115.64 111.80 1jva s THR 484 Ca 0.58 -0.13 -0.03 0.00 0.31 0.00 0.00 61.69 62.42 1jva s THR 484 Cb -0.72 -0.86 0.14 0.00 0.01 0.00 0.00 72.50 71.06 1jva s THR 484 CO 0.57 -0.07 1.78 -0.29 -0.69 0.00 0.00 174.62 175.92 1jva h ILE 485 N 3.44 1.24 -0.10 1.82 6.09 -2.00 -2.62 117.51 125.37 1jva h ILE 485 Ca -0.28 -0.89 0.00 0.00 -1.37 0.00 0.00 64.86 62.32 1jva h ILE 485 Cb 1.15 0.66 0.00 0.00 0.47 0.00 0.00 36.82 39.10 1jva h ILE 485 CO 0.35 0.33 0.00 -1.84 -3.07 0.00 0.00 178.15 173.92 1jva n GLU 486 N -4.25 2.03 -0.31 2.19 0.00 -1.26 -4.67 120.64 114.37 1jva n GLU 486 Ca 0.04 -1.51 -0.04 0.00 0.00 0.00 0.00 57.16 55.65 1jva n GLU 486 Cb 0.25 -1.46 0.01 0.00 0.00 0.00 0.00 31.44 30.23 1jva n GLU 486 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.13 177.91 1jva h GLY 487 N 4.79 -0.13 1.38 -1.84 0.00 -1.85 -1.68 103.07 103.73 1jva h GLY 487 Ca 0.00 0.52 -0.01 0.00 0.00 0.00 0.00 47.33 47.85 1jva h GLY 487 CO 0.00 -0.18 0.34 -2.55 0.00 0.00 0.00 176.54 174.15 1jva h PRO 488 N -0.08 0.83 -0.08 4.80 0.11 -1.83 -2.29 132.00 133.46 1jva h PRO 488 Ca 0.27 -0.08 -0.03 0.00 0.11 0.00 0.00 66.00 66.28 1jva h PRO 488 Cb 0.57 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 31.50 1jva h PRO 488 CO -0.85 0.60 -0.06 0.87 -0.21 0.00 0.00 178.00 178.35 1jva h LYS 489 N 0.84 0.18 -0.34 1.05 6.56 -1.71 0.01 116.57 123.16 1jva h LYS 489 Ca 0.22 -0.09 0.04 0.00 -1.06 0.00 0.00 60.65 59.76 1jva h LYS 489 Cb 0.00 -0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 31.63 1jva h LYS 489 CO -0.04 0.59 0.11 0.28 -2.06 0.00 0.00 179.45 178.33 1jva h VAL 490 N -0.23 0.89 -0.50 0.50 2.07 -1.21 0.47 116.25 118.25 1jva h VAL 490 Ca 0.01 -0.08 -0.08 0.00 0.82 0.00 0.00 66.70 67.37 1jva h VAL 490 Cb 0.55 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 1jva h VAL 490 CO 0.02 0.05 0.00 0.25 0.02 0.00 0.00 177.57 177.90 1jva h LEU 491 N 0.25 0.86 -1.28 2.57 5.85 -1.46 -1.85 115.31 120.26 1jva h LEU 491 Ca 0.15 -0.31 0.01 0.00 0.84 0.00 0.00 57.88 58.58 1jva h LEU 491 Cb 0.14 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 40.90 1jva h LEU 491 CO -0.17 0.96 0.48 0.00 -0.34 0.00 0.00 178.44 179.37 1jva h ALA 492 N 0.93 1.48 -0.12 1.25 0.00 -0.24 -0.42 119.26 122.15 1jva h ALA 492 Ca 0.14 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1jva h ALA 492 Cb 0.52 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1jva h ALA 492 CO 0.03 0.49 0.01 -0.92 0.00 0.00 0.00 179.25 178.85 1jva h TYR 493 N 0.99 0.22 -0.43 0.00 3.20 0.36 -1.96 116.97 119.34 1jva h TYR 493 Ca 0.27 -0.03 -0.05 0.00 3.14 0.00 0.00 58.73 62.06 1jva h TYR 493 Cb -0.11 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.08 1jva h TYR 493 CO 0.00 0.41 0.07 -0.07 -1.64 0.00 0.00 178.16 176.93 1jva h LEU 494 N -0.04 0.62 -0.86 2.82 3.38 -0.94 -1.50 115.31 118.79 1jva h LEU 494 Ca 0.04 -0.11 -0.11 0.00 0.09 0.00 0.00 57.88 57.79 1jva h LEU 494 Cb 0.31 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1jva h LEU 494 CO 0.00 0.65 -0.33 -0.07 0.09 0.00 0.00 178.44 178.78 1jva h LEU 495 N 0.64 0.47 -0.40 1.67 3.38 -1.05 -2.05 115.31 117.98 1jva h LEU 495 Ca 0.14 -0.18 0.02 0.00 0.09 0.00 0.00 57.88 57.95 1jva h LEU 495 Cb 0.30 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 1jva h LEU 495 CO 0.00 0.77 0.23 1.23 0.09 0.00 0.00 178.44 180.76 1jva h GLY 496 N 1.07 0.55 1.35 0.83 0.00 -0.49 -0.62 103.07 105.76 1jva h GLY 496 Ca 0.05 -0.17 -0.07 0.00 0.00 0.00 0.00 47.33 47.14 1jva h GLY 496 CO 0.06 0.14 0.02 1.41 0.00 0.00 0.00 176.54 178.18 1jva h LEU 497 N 0.46 0.76 -0.03 3.11 3.38 -1.04 -1.42 115.31 120.54 1jva h LEU 497 Ca 0.16 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1jva h LEU 497 Cb 0.02 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 1jva h LEU 497 CO -0.08 0.81 0.00 -0.25 0.09 0.00 0.00 178.44 179.02 1jva h TRP 498 N 0.75 0.05 -0.65 1.13 7.01 -0.97 -1.36 115.95 121.91 1jva h TRP 498 Ca 0.15 -0.01 0.05 0.00 2.11 0.00 0.00 58.89 61.20 1jva h TRP 498 Cb 0.42 -0.01 -0.04 0.00 -2.10 0.00 0.00 29.16 27.43 1jva h TRP 498 CO 0.02 0.31 0.43 0.82 -2.79 0.00 0.00 178.44 177.23 1jva h ILE 499 N -0.22 1.03 -0.52 2.65 1.08 -1.02 0.15 117.51 120.65 1jva h ILE 499 Ca 0.01 -0.24 -0.02 0.00 -0.39 0.00 0.00 64.86 64.22 1jva h ILE 499 Cb 0.28 0.28 -0.02 0.00 -3.07 0.00 0.00 36.82 34.29 1jva h ILE 499 CO 0.00 0.13 0.26 1.23 -0.69 0.00 0.00 178.15 179.08 1jva h GLY 500 N 0.69 0.80 0.00 5.37 0.00 -0.49 -3.42 103.07 106.03 1jva h GLY 500 Ca 0.28 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 47.22 1jva h GLY 500 CO -0.08 0.37 0.00 2.09 0.00 0.00 0.00 176.54 178.92 1jva n ASP 501 N -4.60 0.00 -4.52 0.19 5.68 -0.58 -4.44 116.55 108.27 1jva n ASP 501 Ca 0.02 0.00 -0.36 0.00 -0.50 0.00 0.00 54.79 53.96 1jva n ASP 501 Cb 0.11 0.00 0.08 0.00 -1.14 0.00 0.00 41.12 40.17 1jva n ASP 501 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1jva n GLY 502 N 0.00 -1.13 3.75 6.12 0.00 0.50 -4.54 105.19 109.88 1jva n GLY 502 Ca 0.00 -0.41 -0.41 0.00 0.00 0.00 0.00 46.02 45.20 1jva n GLY 502 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jva s LEU 503 N -1.56 4.47 0.00 0.99 1.02 -0.41 -4.87 118.68 118.33 1jva s LEU 503 Ca 0.68 2.31 0.08 0.00 0.02 0.00 0.00 54.13 57.21 1jva s LEU 503 Cb -0.33 -3.62 0.38 0.00 0.02 0.00 0.00 46.19 42.64 1jva s LEU 503 CO 0.56 -0.34 1.13 -1.20 0.02 0.00 0.00 176.35 176.52 1jva n SER 504 N 1.97 0.00 -0.18 2.29 7.64 -1.26 -3.04 113.62 121.03 1jva n SER 504 Ca 0.03 0.22 0.02 0.00 1.01 0.00 0.00 58.87 60.14 1jva n SER 504 Cb 0.44 -0.32 0.04 0.00 -1.01 0.00 0.00 64.21 63.37 1jva n SER 504 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1jva n ASP 505 N -1.32 2.24 -3.49 6.43 5.68 -1.26 -4.93 116.55 119.89 1jva n ASP 505 Ca 0.03 -1.97 -0.13 0.00 -0.50 0.00 0.00 54.79 52.22 1jva n ASP 505 Cb 0.07 -0.06 -0.04 0.00 -1.14 0.00 0.00 41.12 39.94 1jva n ASP 505 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1jva s ARG 506 N -0.98 1.02 -0.51 0.11 1.70 -1.17 -4.99 118.95 114.13 1jva s ARG 506 Ca 0.07 -0.10 -0.05 0.00 -0.47 0.00 0.00 55.73 55.17 1jva s ARG 506 Cb 0.03 0.47 -0.10 0.00 -0.57 0.00 0.00 34.95 34.78 1jva s ARG 506 CO 0.04 -0.39 2.25 0.00 -1.08 0.00 0.00 175.30 176.12 1jva n ALA 507 N 0.24 4.55 -2.68 7.88 0.00 -1.00 -4.44 120.51 125.06 1jva n ALA 507 Ca -0.15 -1.61 -0.18 0.00 0.00 0.00 0.00 53.44 51.49 1jva n ALA 507 Cb 0.61 -2.68 -0.15 0.00 0.00 0.00 0.00 19.45 17.23 1jva n ALA 507 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1jva s THR 508 N 2.62 0.71 0.21 0.00 2.01 -1.26 -4.31 115.64 115.63 1jva s THR 508 Ca 0.40 -0.41 0.01 0.00 0.31 0.00 0.00 61.69 62.00 1jva s THR 508 Cb 0.14 -0.60 -0.05 0.00 0.01 0.00 0.00 72.50 72.01 1jva s THR 508 CO -0.02 0.18 0.08 0.72 -0.69 0.00 0.00 174.62 174.90 1jva s PHE 509 N -0.25 1.31 0.17 4.92 -0.12 -1.18 -1.28 117.98 121.55 1jva s PHE 509 Ca 0.03 -1.21 0.08 0.00 -0.05 0.00 0.00 56.93 55.78 1jva s PHE 509 Cb -0.04 -0.73 -0.04 0.00 -0.63 0.00 0.00 43.02 41.58 1jva s PHE 509 CO -0.00 -0.41 -0.06 -1.12 -0.05 0.00 0.00 175.22 173.58 1jva s SER 510 N -3.22 4.47 -0.02 1.98 0.01 -1.26 0.52 113.70 116.18 1jva s SER 510 Ca 0.34 -0.49 0.00 0.00 1.31 0.00 0.00 55.95 57.12 1jva s SER 510 Cb 0.07 -0.85 0.02 0.00 0.21 0.00 0.00 66.02 65.47 1jva s SER 510 CO 0.10 0.10 -0.01 -0.69 0.41 0.00 0.00 173.24 173.16 1jva s VAL 511 N -1.67 0.15 -0.41 3.43 1.01 0.26 -4.84 120.40 118.32 1jva s VAL 511 Ca 0.26 0.03 -0.27 0.00 0.00 0.00 0.00 61.98 61.99 1jva s VAL 511 Cb -0.09 -0.20 -0.07 0.00 0.00 0.00 0.00 36.38 36.02 1jva s VAL 511 CO 0.16 0.10 2.36 -0.67 0.00 0.00 0.00 175.10 177.05 1jva n ASP 512 N 3.69 2.57 -0.27 3.32 -0.08 -1.26 -1.38 116.55 123.14 1jva n ASP 512 Ca -0.21 -0.25 0.33 0.00 -1.51 0.00 0.00 54.79 53.15 1jva n ASP 512 Cb 0.54 -1.56 0.72 0.00 2.34 0.00 0.00 41.12 43.16 1jva n ASP 512 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 1jva h SER 513 N 17.89 0.00 0.07 1.67 4.64 -1.75 0.17 113.55 136.23 1jva h SER 513 Ca -0.29 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.94 1jva h SER 513 Cb 1.26 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.34 1jva h SER 513 CO 1.10 0.00 -0.29 0.03 -0.87 0.00 0.00 176.83 176.80 1jva h ARG 514 N 0.00 0.35 -5.86 4.77 3.08 -1.87 -3.39 114.38 111.46 1jva h ARG 514 Ca 0.52 -0.13 -0.60 0.00 0.07 0.00 0.00 59.98 59.83 1jva h ARG 514 Cb 2.24 -0.02 -0.12 0.00 0.08 0.00 0.00 29.97 32.15 1jva h ARG 514 CO -0.01 0.61 0.62 0.34 -1.07 0.00 0.00 179.97 180.47 1jva s ASP 515 N -6.85 6.30 0.04 7.04 -1.08 0.59 -4.87 116.67 117.85 1jva s ASP 515 Ca -0.06 -0.45 0.07 0.00 -0.52 0.00 0.00 52.55 51.59 1jva s ASP 515 Cb 0.14 -2.45 -0.23 0.00 -1.46 0.00 0.00 42.92 38.92 1jva s ASP 515 CO 0.77 -1.33 0.99 0.71 0.52 0.00 0.00 175.17 176.84 1jva h THR 516 N 6.02 1.32 0.00 1.71 1.35 -1.83 -3.00 112.91 118.49 1jva h THR 516 Ca -0.27 -3.06 -0.03 0.00 -0.55 0.00 0.00 66.41 62.51 1jva h THR 516 Cb 1.07 2.69 -0.00 0.00 -1.73 0.00 0.00 68.15 70.18 1jva h THR 516 CO 1.13 0.78 -0.13 0.77 -0.25 0.00 0.00 175.52 177.83 1jva h SER 517 N 0.01 0.00 0.00 5.36 4.64 -1.90 0.17 113.55 121.84 1jva h SER 517 Ca -0.15 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.16 1jva h SER 517 Cb 1.90 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.99 1jva h SER 517 CO 0.12 0.13 -0.04 0.25 -0.87 0.00 0.00 176.83 176.41 1jva h LEU 518 N 0.00 0.03 -1.33 5.97 5.85 -1.64 -2.49 115.31 121.71 1jva h LEU 518 Ca -0.00 -0.85 -0.05 0.00 0.84 0.00 0.00 57.88 57.82 1jva h LEU 518 Cb 0.33 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 1jva h LEU 518 CO 0.02 0.88 -0.07 0.24 -0.34 0.00 0.00 178.44 179.17 1jva h MET 519 N -0.81 0.37 -0.71 1.25 2.86 -1.31 -0.09 114.93 116.48 1jva h MET 519 Ca -0.01 -0.08 -0.03 0.00 -2.06 0.00 0.00 59.70 57.52 1jva h MET 519 Cb 0.89 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.47 1jva h MET 519 CO 0.01 0.45 0.32 0.93 1.06 0.00 0.00 176.91 179.68 1jva h GLU 520 N 0.36 1.04 -0.43 1.72 5.08 -0.73 -1.51 114.58 120.10 1jva h GLU 520 Ca 0.08 -0.17 -0.03 0.00 -1.00 0.00 0.00 59.36 58.24 1jva h GLU 520 Cb 0.35 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 1jva h GLU 520 CO 0.02 0.83 0.16 -0.09 -1.00 0.00 0.00 179.01 178.93 1jva h ARG 521 N 1.00 0.66 -0.34 2.33 9.65 -0.64 -1.38 114.38 125.66 1jva h ARG 521 Ca 0.24 -0.13 -0.01 0.00 -1.10 0.00 0.00 59.98 58.98 1jva h ARG 521 Cb 0.15 -0.10 -0.02 0.00 -1.39 0.00 0.00 29.97 28.61 1jva h ARG 521 CO -0.03 0.62 0.16 0.28 2.80 0.00 0.00 179.97 183.79 1jva h VAL 522 N 0.56 1.17 -0.01 0.20 2.07 -0.81 0.09 116.25 119.52 1jva h VAL 522 Ca 0.14 -0.50 -0.00 0.00 0.82 0.00 0.00 66.70 67.17 1jva h VAL 522 Cb 0.21 0.87 -0.00 0.00 -1.52 0.00 0.00 31.29 30.85 1jva h VAL 522 CO -0.01 0.18 0.00 0.74 0.02 0.00 0.00 177.57 178.50 1jva h THR 523 N 0.41 1.04 -0.32 2.57 2.02 -1.25 0.14 112.91 117.53 1jva h THR 523 Ca 0.12 -0.12 0.04 0.00 0.77 0.00 0.00 66.41 67.22 1jva h THR 523 Cb 0.14 1.11 -0.04 0.00 -1.74 0.00 0.00 68.15 67.62 1jva h THR 523 CO -0.01 0.03 0.10 -0.08 0.37 0.00 0.00 175.52 175.93 1jva h GLU 524 N -0.04 0.23 -0.52 6.66 4.81 -1.03 0.33 114.58 125.01 1jva h GLU 524 Ca 0.00 -0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.10 1jva h GLU 524 Cb 0.05 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 1jva h GLU 524 CO -0.00 0.15 -0.14 1.88 -0.73 0.00 0.00 179.01 180.17 1jva h TYR 525 N 0.23 1.15 -0.56 0.92 -1.99 -0.85 -1.94 116.97 113.93 1jva h TYR 525 Ca 0.14 -0.25 -0.01 0.00 2.00 0.00 0.00 58.73 60.62 1jva h TYR 525 Cb 0.13 -0.28 -0.03 0.00 2.00 0.00 0.00 36.73 38.55 1jva h TYR 525 CO -0.15 1.08 0.32 0.00 -0.00 0.00 0.00 178.16 179.41 1jva h ALA 526 N 0.90 0.72 -0.41 3.88 0.00 -0.42 -2.07 119.26 121.86 1jva h ALA 526 Ca 0.13 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.97 1jva h ALA 526 Cb 0.72 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1jva h ALA 526 CO 0.05 0.22 0.27 1.49 0.00 0.00 0.00 179.25 181.29 1jva h GLU 527 N 0.76 0.50 0.00 0.00 4.57 -0.69 0.38 114.58 120.09 1jva h GLU 527 Ca 0.20 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.34 1jva h GLU 527 Cb 0.02 -0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 28.50 1jva h GLU 527 CO -0.03 0.33 -0.07 0.87 -1.18 0.00 0.00 179.01 178.93 1jva h LYS 528 N 0.51 0.00 -0.57 1.92 1.57 -0.63 -2.40 116.57 116.97 1jva h LYS 528 Ca 0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1jva h LYS 528 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.32 1jva h LYS 528 CO -0.04 0.07 0.00 1.28 -0.57 0.00 0.00 179.45 180.19 1jva n LEU 529 N -3.19 4.46 -1.11 2.94 4.77 -0.85 -4.90 117.00 119.12 1jva n LEU 529 Ca 0.01 -2.45 -0.11 0.00 -0.03 0.00 0.00 56.01 53.43 1jva n LEU 529 Cb 0.35 -0.53 -0.02 0.00 -2.33 0.00 0.00 43.42 40.89 1jva n LEU 529 CO 0.29 0.79 -0.13 0.59 -1.33 0.00 0.00 177.39 177.61 1jva n ASN 530 N 0.88 -3.74 -4.79 -1.43 4.13 -0.90 -4.77 115.26 104.64 1jva n ASN 530 Ca 0.24 0.07 -0.25 0.00 1.68 0.00 0.00 54.58 56.31 1jva n ASN 530 Cb 0.84 -2.76 -0.05 0.00 -1.54 0.00 0.00 39.78 36.26 1jva n ASN 530 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1jva s LEU 531 N -2.91 3.74 -0.14 3.41 2.01 0.13 -4.54 118.68 120.38 1jva s LEU 531 Ca 0.00 -0.21 0.01 0.00 0.01 0.00 0.00 54.13 53.95 1jva s LEU 531 Cb 0.00 -2.33 -0.00 0.00 0.01 0.00 0.00 46.19 43.87 1jva s LEU 531 CO 0.00 0.04 -0.18 0.00 1.01 0.00 0.00 176.35 177.22 1jva s ALA 533 N 0.65 2.33 -0.28 0.00 0.00 -1.26 -0.65 121.76 122.55 1jva s ALA 533 Ca -0.09 -1.04 -0.24 0.00 0.00 0.00 0.00 51.96 50.59 1jva s ALA 533 Cb -0.16 -0.75 0.11 0.00 0.00 0.00 0.00 23.12 22.33 1jva s ALA 533 CO 0.02 0.48 0.97 -2.00 0.00 0.00 0.00 175.76 175.23 1jva s GLU 534 N -0.44 0.55 0.37 0.00 2.12 -1.14 -4.88 118.70 115.28 1jva s GLU 534 Ca 0.05 0.69 -0.28 0.00 0.36 0.00 0.00 54.97 55.79 1jva s GLU 534 Cb -0.12 0.25 -0.11 0.00 0.26 0.00 0.00 34.13 34.41 1jva s GLU 534 CO 0.01 -0.07 1.38 2.48 -0.54 0.00 0.00 175.26 178.52 1jva n TYR 535 N 2.52 2.60 -0.24 5.30 0.18 -1.26 -3.19 117.16 123.07 1jva n TYR 535 Ca -0.14 0.50 -0.04 0.00 1.88 0.00 0.00 57.90 60.10 1jva n TYR 535 Cb 0.56 -2.47 0.12 0.00 -0.38 0.00 0.00 39.34 37.18 1jva n TYR 535 CO 0.00 0.00 0.00 -0.22 -2.08 0.00 0.00 176.86 174.56 1jva h LYS 536 N 2.69 1.08 -0.88 -3.48 3.64 -1.66 -3.42 116.57 114.55 1jva h LYS 536 Ca -0.48 -0.18 -0.00 0.00 -1.27 0.00 0.00 60.65 58.71 1jva h LYS 536 Cb 1.27 -0.18 -0.19 0.00 -0.41 0.00 0.00 32.23 32.71 1jva h LYS 536 CO 0.63 0.87 -0.37 0.34 -2.27 0.00 0.00 179.45 178.64 1jva s ASP 537 N -6.41 -1.38 0.57 4.20 -1.08 -1.26 -5.03 116.67 106.28 1jva s ASP 537 Ca -0.11 -0.43 0.39 0.00 -0.52 0.00 0.00 52.55 51.87 1jva s ASP 537 Cb 0.16 1.78 1.47 0.00 -1.46 0.00 0.00 42.92 44.88 1jva s ASP 537 CO 0.82 -0.18 1.62 0.03 0.52 0.00 0.00 175.17 177.98 1jva h ARG 538 N 7.09 0.00 -0.01 4.34 -0.00 -1.96 0.12 114.38 123.96 1jva h ARG 538 Ca 0.02 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.50 1jva h ARG 538 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.16 1jva h ARG 538 CO 0.08 0.00 -0.07 1.63 0.00 0.00 0.00 179.97 181.61 1jva n LYS 539 N -3.83 0.99 -1.63 0.04 5.02 -1.26 -4.93 118.16 112.56 1jva n LYS 539 Ca 0.30 -0.37 -0.44 0.00 -2.02 0.00 0.00 58.31 55.78 1jva n LYS 539 Cb 1.52 -1.49 -0.02 0.00 -0.02 0.00 0.00 35.03 35.02 1jva n LYS 539 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1jva n GLU 540 N -0.68 1.61 0.00 1.97 2.13 0.40 -4.84 120.64 121.23 1jva n GLU 540 Ca 0.17 0.57 0.02 0.00 0.66 0.00 0.00 57.16 58.58 1jva n GLU 540 Cb 0.26 -2.03 0.12 0.00 0.27 0.00 0.00 31.44 30.06 1jva n GLU 540 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 1jva n PRO 541 N 0.91 0.11 -3.99 5.31 -0.04 -1.26 -4.76 135.00 131.28 1jva n PRO 541 Ca 0.09 0.07 -0.32 0.00 -0.04 0.00 0.00 63.50 63.30 1jva n PRO 541 Cb 0.32 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.23 1jva n PRO 541 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1jva s GLN 542 N -2.17 3.25 0.09 0.54 -0.21 -1.26 -5.00 119.66 114.90 1jva s GLN 542 Ca 0.06 -0.44 -0.15 0.00 0.02 0.00 0.00 55.36 54.84 1jva s GLN 542 Cb 0.03 -2.96 -0.10 0.00 1.00 0.00 0.00 33.01 30.97 1jva s GLN 542 CO 0.05 0.64 1.39 0.28 -2.12 0.00 0.00 175.29 175.53 1jva h VAL 543 N 2.77 1.31 -3.52 1.09 2.07 -1.96 -3.39 116.25 114.61 1jva h VAL 543 Ca -0.48 -1.55 -0.56 0.00 0.82 0.00 0.00 66.70 64.93 1jva h VAL 543 Cb 1.18 1.70 -0.07 0.00 -1.52 0.00 0.00 31.29 32.58 1jva h VAL 543 CO 0.68 0.49 0.97 0.00 0.02 0.00 0.00 177.57 179.73 1jva s ALA 544 N -4.22 3.09 -0.14 1.67 0.00 -1.26 -1.95 121.76 118.95 1jva s ALA 544 Ca -0.12 -0.46 -0.07 0.00 0.00 0.00 0.00 51.96 51.31 1jva s ALA 544 Cb 0.08 -3.93 -0.04 0.00 0.00 0.00 0.00 23.12 19.23 1jva s ALA 544 CO 0.84 -2.38 0.09 0.15 0.00 0.00 0.00 175.76 174.46 1jva s LYS 545 N 4.68 3.62 -0.00 0.00 1.02 -0.48 -4.74 119.74 123.83 1jva s LYS 545 Ca 0.51 -0.25 -0.30 0.00 0.02 0.00 0.00 55.97 55.95 1jva s LYS 545 Cb -0.09 -3.17 -0.08 0.00 -0.52 0.00 0.00 37.83 33.98 1jva s LYS 545 CO 0.31 0.56 1.99 0.99 -0.92 0.00 0.00 175.35 178.29 1jva s THR 546 N -0.43 3.04 -0.17 2.17 2.01 -1.26 -0.57 115.64 120.42 1jva s THR 546 Ca 0.11 0.04 -0.03 0.00 0.31 0.00 0.00 61.69 62.12 1jva s THR 546 Cb -0.12 -3.03 -0.02 0.00 0.01 0.00 0.00 72.50 69.34 1jva s THR 546 CO 0.02 -0.01 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.20 1jva s VAL 547 N 5.01 3.63 -0.12 3.82 1.01 0.18 -1.54 120.40 132.40 1jva s VAL 547 Ca 0.90 -0.44 -0.04 0.00 0.00 0.00 0.00 61.98 62.39 1jva s VAL 547 Cb -0.41 -2.60 -0.04 0.00 0.00 0.00 0.00 36.38 33.33 1jva s VAL 547 CO 0.40 0.47 0.05 0.20 0.00 0.00 0.00 175.10 176.23 1jva s ASN 548 N 0.72 5.64 -0.23 3.32 0.02 -1.19 -3.08 114.94 120.13 1jva s ASN 548 Ca -0.02 0.22 -0.02 0.00 -1.02 0.00 0.00 52.86 52.02 1jva s ASN 548 Cb -0.15 -1.75 0.01 0.00 0.02 0.00 0.00 41.25 39.39 1jva s ASN 548 CO 0.02 0.34 -0.07 -0.76 0.02 0.00 0.00 177.10 176.65 1jva s LEU 549 N -0.65 2.96 0.28 0.60 1.02 -1.26 -2.89 118.68 118.73 1jva s LEU 549 Ca 0.11 -0.69 0.10 0.00 0.02 0.00 0.00 54.13 53.67 1jva s LEU 549 Cb -0.12 -1.66 -0.05 0.00 0.02 0.00 0.00 46.19 44.38 1jva s LEU 549 CO 0.02 -0.08 -0.03 -0.31 0.02 0.00 0.00 176.35 175.97 1jva s TYR 550 N 1.37 2.61 0.00 0.29 2.02 0.18 -4.72 117.35 119.09 1jva s TYR 550 Ca 0.03 -0.27 0.00 0.00 -0.37 0.00 0.00 57.07 56.46 1jva s TYR 550 Cb -0.15 -1.20 0.00 0.00 -0.40 0.00 0.00 41.96 40.20 1jva s TYR 550 CO -0.05 0.61 0.00 -1.13 -1.57 0.00 0.00 175.55 173.41 1jva n SER 551 N -0.86 3.08 -0.00 2.29 3.41 -1.26 0.14 113.62 120.41 1jva n SER 551 Ca -0.06 0.00 -0.00 0.00 -0.26 0.00 0.00 58.87 58.55 1jva n SER 551 Cb 0.60 0.17 -0.01 0.00 -0.26 0.00 0.00 64.21 64.70 1jva n SER 551 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1jva n LEU 563 N -1.87 0.00 0.00 1.04 4.77 -1.26 -4.93 117.00 114.75 1jva n LEU 563 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1jva n LEU 563 Cb 0.34 0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 1jva n LEU 563 CO 0.00 0.02 0.00 0.59 -1.33 0.00 0.00 177.39 176.67 1jva n ASN 564 N -1.89 0.00 -4.66 -1.43 3.02 -1.26 -2.37 115.26 106.67 1jva n ASN 564 Ca -0.01 0.00 -0.32 0.00 -0.03 0.00 0.00 54.58 54.22 1jva n ASN 564 Cb 0.38 0.00 0.16 0.00 -0.61 0.00 0.00 39.78 39.71 1jva n ASN 564 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1jva n THR 565 N 0.00 0.47 0.00 3.41 -2.24 -1.26 -2.23 114.28 112.44 1jva n THR 565 Ca 0.00 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 1jva n THR 565 Cb 0.00 -1.02 0.00 0.00 -2.10 0.00 0.00 70.33 67.21 1jva n THR 565 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1jva n GLU 566 N -3.87 0.00 -2.08 -0.78 -0.58 -1.26 -4.91 120.64 107.16 1jva n GLU 566 Ca 0.12 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.44 1jva n GLU 566 Cb 0.52 -1.22 -0.03 0.00 -0.57 0.00 0.00 31.44 30.14 1jva n GLU 566 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 1jva s ASN 567 N -0.29 6.73 0.27 1.62 3.84 -0.94 -4.91 114.94 121.25 1jva s ASN 567 Ca 0.00 2.25 -0.00 0.00 0.21 0.00 0.00 52.86 55.32 1jva s ASN 567 Cb 0.00 -2.55 0.59 0.00 -0.55 0.00 0.00 41.25 38.74 1jva s ASN 567 CO 0.00 -0.83 1.72 1.55 -2.79 0.00 0.00 177.10 176.75 1jva h PRO 568 N 8.45 0.43 -0.18 0.43 0.13 -1.88 -0.15 132.00 139.23 1jva h PRO 568 Ca -0.39 -0.03 -0.11 0.00 -0.87 0.00 0.00 66.00 64.60 1jva h PRO 568 Cb 1.18 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1jva h PRO 568 CO 0.93 0.28 -0.33 1.25 -0.23 0.00 0.00 178.00 179.90 1jva h LEU 569 N 0.44 0.60 -0.90 1.56 5.85 -1.92 -2.71 115.31 118.22 1jva h LEU 569 Ca 0.49 -0.55 -0.10 0.00 0.84 0.00 0.00 57.88 58.56 1jva h LEU 569 Cb 0.83 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 1jva h LEU 569 CO -0.46 1.03 -0.25 -0.25 -0.34 0.00 0.00 178.44 178.17 1jva h TRP 570 N 0.19 0.59 -0.49 1.25 2.91 -1.71 -1.75 115.95 116.94 1jva h TRP 570 Ca 0.01 -0.13 -0.06 0.00 1.13 0.00 0.00 58.89 59.84 1jva h TRP 570 Cb 0.93 -0.14 -0.02 0.00 -0.51 0.00 0.00 29.16 29.41 1jva h TRP 570 CO 0.09 0.73 0.04 -0.44 -1.03 0.00 0.00 178.44 177.83 1jva h ASP 571 N 0.46 0.75 -0.30 2.65 3.32 -1.04 -2.15 116.42 120.12 1jva h ASP 571 Ca 0.07 -0.16 -0.15 0.00 0.02 0.00 0.00 57.03 56.80 1jva h ASP 571 Cb 0.68 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 40.03 1jva h ASP 571 CO 0.05 0.79 -0.41 0.00 -1.72 0.00 0.00 179.24 177.95 1jva h ALA 572 N 1.30 0.45 -0.63 3.45 0.00 -1.23 0.95 119.26 123.55 1jva h ALA 572 Ca 0.15 -0.46 0.05 0.00 0.00 0.00 0.00 54.91 54.65 1jva h ALA 572 Cb 0.40 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 1jva h ALA 572 CO 0.01 0.56 0.36 0.82 0.00 0.00 0.00 179.25 181.00 1jva h ILE 573 N 0.56 1.00 0.14 0.00 2.04 -1.03 0.50 117.51 120.73 1jva h ILE 573 Ca 0.03 -0.23 -0.30 0.00 1.00 0.00 0.00 64.86 65.36 1jva h ILE 573 Cb 1.00 0.26 0.01 0.00 -0.74 0.00 0.00 36.82 37.35 1jva h ILE 573 CO 0.10 0.12 -1.40 0.58 0.00 0.00 0.00 178.15 177.55 1jva h VAL 574 N 0.68 1.33 -0.49 1.67 2.07 -1.32 0.64 116.25 120.83 1jva h VAL 574 Ca 0.27 -2.90 -0.04 0.00 0.82 0.00 0.00 66.70 64.85 1jva h VAL 574 Cb 0.12 2.89 -0.02 0.00 -1.52 0.00 0.00 31.29 32.76 1jva h VAL 574 CO -0.15 0.85 0.15 1.23 0.02 0.00 0.00 177.57 179.68 1jva h GLY 575 N 1.39 0.82 -0.57 2.17 0.00 0.14 -2.86 103.07 104.18 1jva h GLY 575 Ca -0.20 -0.49 0.00 0.00 0.00 0.00 0.00 47.33 46.65 1jva h GLY 575 CO 0.20 0.45 0.00 1.04 0.00 0.00 0.00 176.54 178.23 1jva n LEU 576 N -4.51 1.49 -0.16 3.11 4.77 0.17 -4.95 117.00 116.93 1jva n LEU 576 Ca 0.01 -0.57 -0.02 0.00 -0.03 0.00 0.00 56.01 55.40 1jva n LEU 576 Cb 0.19 -0.06 -0.01 0.00 -2.33 0.00 0.00 43.42 41.22 1jva n LEU 576 CO 0.39 0.28 -0.02 0.61 -1.33 0.00 0.00 177.39 177.32 1jva n GLY 577 N 1.13 0.55 0.00 -0.72 0.00 -1.08 -4.69 105.19 100.38 1jva n GLY 577 Ca 0.18 -0.90 0.09 0.00 0.00 0.00 0.00 46.02 45.39 1jva n GLY 577 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1jva n PHE 578 N -2.93 0.00 -3.64 1.61 3.72 0.21 -4.27 117.46 112.16 1jva n PHE 578 Ca -0.02 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.15 1jva n PHE 578 Cb 0.07 -0.05 -0.17 0.00 -0.94 0.00 0.00 39.48 38.39 1jva n PHE 578 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 1jva s LEU 579 N -2.10 0.24 -0.02 4.37 2.96 -1.17 -0.76 118.68 122.20 1jva s LEU 579 Ca 0.25 -0.29 0.03 0.00 -0.22 0.00 0.00 54.13 53.91 1jva s LEU 579 Cb 0.12 -0.18 -0.00 0.00 0.50 0.00 0.00 46.19 46.63 1jva s LEU 579 CO 0.22 -0.30 -0.10 -1.59 -1.32 0.00 0.00 176.35 173.25 1jva s LYS 580 N 2.16 0.95 -2.04 1.98 -2.85 -0.16 -4.75 119.74 115.03 1jva s LYS 580 Ca 0.03 -0.36 0.00 0.00 -1.00 0.00 0.00 55.97 54.64 1jva s LYS 580 Cb -0.14 -0.90 0.00 0.00 -2.06 0.00 0.00 37.83 34.73 1jva s LYS 580 CO -0.06 0.19 0.00 -0.25 0.10 0.00 0.00 175.35 175.32 1jva n ASP 581 N 3.01 -5.37 0.00 0.03 8.00 -1.26 -0.87 116.55 120.08 1jva n ASP 581 Ca -0.16 0.44 0.00 0.00 0.71 0.00 0.00 54.79 55.78 1jva n ASP 581 Cb 0.55 -4.58 0.00 0.00 -0.02 0.00 0.00 41.12 37.08 1jva n ASP 581 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jva n GLY 582 N -0.61 0.90 3.49 0.44 0.00 -1.26 -5.02 105.19 103.13 1jva n GLY 582 Ca -0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.52 1jva n GLY 582 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1jva s VAL 583 N -3.60 2.88 0.63 1.61 -7.23 -0.05 -4.96 120.40 109.68 1jva s VAL 583 Ca 0.00 -1.41 -0.18 0.00 -1.81 0.00 0.00 61.98 58.58 1jva s VAL 583 Cb 0.00 -2.30 -0.02 0.00 0.56 0.00 0.00 36.38 34.62 1jva s VAL 583 CO 0.00 0.16 1.23 0.29 -0.31 0.00 0.00 175.10 176.47 1jva n LYS 584 N 0.97 1.12 -3.54 4.82 5.02 -1.26 -0.98 118.16 124.31 1jva n LYS 584 Ca -0.16 0.44 -0.12 0.00 -2.02 0.00 0.00 58.31 56.45 1jva n LYS 584 Cb 0.53 -2.46 -0.04 0.00 -0.02 0.00 0.00 35.03 33.03 1jva n LYS 584 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1jva s ASN 585 N -1.31 -0.43 -0.42 4.39 2.47 0.06 -4.43 114.94 115.26 1jva s ASN 585 Ca 0.80 -0.01 -0.06 0.00 0.42 0.00 0.00 52.86 54.01 1jva s ASN 585 Cb -0.39 0.52 0.10 0.00 -1.45 0.00 0.00 41.25 40.04 1jva s ASN 585 CO 0.42 -0.84 0.25 -0.63 -3.72 0.00 0.00 177.10 172.58 1jva s ILE 586 N -3.24 3.80 0.46 -5.21 -1.09 -1.26 -4.31 121.20 110.35 1jva s ILE 586 Ca -0.01 -1.76 -0.21 0.00 -2.23 0.00 0.00 60.65 56.44 1jva s ILE 586 Cb -0.00 -3.47 -0.12 0.00 -1.58 0.00 0.00 42.46 37.29 1jva s ILE 586 CO -0.08 -0.63 0.51 -2.65 -1.23 0.00 0.00 174.94 170.86 1jva n PRO 587 N 4.78 0.55 0.13 2.79 -0.02 -1.26 -4.73 135.00 137.23 1jva n PRO 587 Ca -0.07 0.20 0.01 0.00 -2.02 0.00 0.00 63.50 61.62 1jva n PRO 587 Cb 0.42 -1.54 0.08 0.00 -0.02 0.00 0.00 33.50 32.44 1jva n PRO 587 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1jva h SER 588 N 0.65 0.00 -0.16 2.55 4.64 -1.95 -3.23 113.55 116.05 1jva h SER 588 Ca -0.42 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 60.95 1jva h SER 588 Cb 1.40 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.48 1jva h SER 588 CO 0.50 0.60 0.13 2.19 -0.87 0.00 0.00 176.83 179.38 1jva h PHE 589 N 0.00 0.00 -0.58 4.77 -5.15 -1.95 -2.47 116.94 111.57 1jva h PHE 589 Ca -0.01 0.00 0.03 0.00 -0.20 0.00 0.00 57.97 57.80 1jva h PHE 589 Cb 1.34 0.00 -0.03 0.00 0.22 0.00 0.00 35.95 37.47 1jva h PHE 589 CO 0.00 0.00 0.38 1.25 -2.00 0.00 0.00 178.31 177.94 1jva h LEU 590 N 0.00 0.58 -2.71 2.10 5.85 -1.93 -2.30 115.31 116.90 1jva h LEU 590 Ca 0.08 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 1jva h LEU 590 Cb 0.34 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.24 1jva h LEU 590 CO -0.00 0.40 -0.00 0.28 -0.34 0.00 0.00 178.44 178.78 1jva h SER 591 N 0.67 0.00 0.00 1.25 0.02 -1.67 -1.95 113.55 111.87 1jva h SER 591 Ca 0.23 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.18 1jva h SER 591 Cb 0.08 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 1jva h SER 591 CO -0.06 0.00 -0.18 0.35 -1.14 0.00 0.00 176.83 175.80 1jva n THR 592 N -3.43 1.87 -2.81 -2.27 -2.24 -0.88 -4.82 114.28 99.70 1jva n THR 592 Ca -0.03 -2.44 -0.21 0.00 -2.27 0.00 0.00 64.05 59.10 1jva n THR 592 Cb 0.09 -0.19 0.10 0.00 -2.10 0.00 0.00 70.33 68.22 1jva n THR 592 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1jva n ASP 593 N -1.25 1.69 -4.56 3.42 -0.08 -0.73 0.19 116.55 115.22 1jva n ASP 593 Ca 0.16 -2.31 -0.55 0.00 -1.51 0.00 0.00 54.79 50.57 1jva n ASP 593 Cb 0.67 -0.54 -0.07 0.00 2.34 0.00 0.00 41.12 43.51 1jva n ASP 593 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 1jva n ASN 594 N -2.65 0.95 -0.25 1.67 2.85 -1.13 -4.46 115.26 112.24 1jva n ASN 594 Ca 0.16 1.14 -0.06 0.00 -0.11 0.00 0.00 54.58 55.71 1jva n ASN 594 Cb 0.59 -1.07 0.05 0.00 1.24 0.00 0.00 39.78 40.59 1jva n ASN 594 CO 0.00 0.00 0.00 0.40 -2.11 0.00 0.00 177.26 175.55 1jva h ILE 595 N 3.27 1.23 0.00 -1.44 2.04 -1.92 -1.40 117.51 119.28 1jva h ILE 595 Ca -0.49 -0.65 -0.02 0.00 1.00 0.00 0.00 64.86 64.70 1jva h ILE 595 Cb 1.38 0.37 -0.00 0.00 -0.74 0.00 0.00 36.82 37.82 1jva h ILE 595 CO 0.73 0.27 -0.12 1.23 0.00 0.00 0.00 178.15 180.26 1jva h GLY 596 N 0.97 0.00 1.57 5.37 0.00 -2.00 -1.38 103.07 107.60 1jva h GLY 596 Ca 0.24 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.37 1jva h GLY 596 CO -0.03 0.00 -0.81 -0.84 0.00 0.00 0.00 176.54 174.86 1jva h THR 597 N 0.00 1.39 -0.36 4.70 2.02 -1.67 -1.97 112.91 117.02 1jva h THR 597 Ca -0.00 -2.27 -0.05 0.00 0.77 0.00 0.00 66.41 64.86 1jva h THR 597 Cb 0.22 2.23 -0.01 0.00 -1.74 0.00 0.00 68.15 68.85 1jva h THR 597 CO 0.02 0.68 0.02 0.03 0.37 0.00 0.00 175.52 176.64 1jva h ARG 598 N 0.26 0.62 -0.67 6.66 3.08 -0.55 -2.49 114.38 121.29 1jva h ARG 598 Ca -0.05 -0.18 -0.06 0.00 0.07 0.00 0.00 59.98 59.76 1jva h ARG 598 Cb 1.42 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 31.37 1jva h ARG 598 CO 0.14 0.71 0.19 0.93 -1.07 0.00 0.00 179.97 180.87 1jva h GLU 599 N 0.44 1.06 -0.03 0.04 5.08 -1.23 -1.86 114.58 118.09 1jva h GLU 599 Ca 0.10 -0.24 -0.11 0.00 -1.00 0.00 0.00 59.36 58.11 1jva h GLU 599 Cb 0.42 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1jva h GLU 599 CO 0.01 0.93 -0.51 1.15 -1.00 0.00 0.00 179.01 179.59 1jva h THR 600 N 0.99 1.36 -0.09 1.13 2.02 -1.37 -0.84 112.91 116.11 1jva h THR 600 Ca 0.21 -1.76 -0.03 0.00 0.77 0.00 0.00 66.41 65.61 1jva h THR 600 Cb 0.33 1.92 -0.00 0.00 -1.74 0.00 0.00 68.15 68.65 1jva h THR 600 CO -0.00 0.51 -0.05 0.15 0.37 0.00 0.00 175.52 176.50 1jva h PHE 601 N 0.05 0.22 -0.65 3.16 3.57 -1.23 -2.26 116.94 119.80 1jva h PHE 601 Ca -0.00 -0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.43 1jva h PHE 601 Cb 0.92 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 39.58 1jva h PHE 601 CO 0.00 0.56 0.36 -0.07 -2.23 0.00 0.00 178.31 176.93 1jva h LEU 602 N -0.18 0.82 -1.28 0.59 3.38 -1.25 -2.18 115.31 115.21 1jva h LEU 602 Ca 0.02 -0.10 0.09 0.00 0.09 0.00 0.00 57.88 57.98 1jva h LEU 602 Cb 0.50 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 40.99 1jva h LEU 602 CO 0.01 0.68 0.54 0.00 0.09 0.00 0.00 178.44 179.76 1jva h ALA 603 N 1.17 1.69 -0.40 1.53 0.00 -1.08 0.85 119.26 123.02 1jva h ALA 603 Ca 0.23 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.98 1jva h ALA 603 Cb 0.05 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1jva h ALA 603 CO -0.04 0.15 -0.34 0.78 0.00 0.00 0.00 179.25 179.80 1jva h GLY 604 N 0.82 1.03 1.11 0.00 0.00 -0.82 -1.18 103.07 104.02 1jva h GLY 604 Ca 0.38 -1.02 -0.06 0.00 0.00 0.00 0.00 47.33 46.62 1jva h GLY 604 CO -0.15 0.92 0.19 -2.00 0.00 0.00 0.00 176.54 175.51 1jva h LEU 605 N 0.77 1.04 -0.84 3.11 6.46 -0.73 -1.63 115.31 123.50 1jva h LEU 605 Ca 0.07 -0.21 -0.11 0.00 -0.12 0.00 0.00 57.88 57.51 1jva h LEU 605 Cb 0.94 -0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 40.58 1jva h LEU 605 CO 0.09 0.99 -0.32 0.40 -0.62 0.00 0.00 178.44 178.97 1jva h ILE 606 N 1.06 1.28 0.00 4.05 2.04 -0.71 -1.25 117.51 123.98 1jva h ILE 606 Ca 0.23 -1.41 -0.04 0.00 1.00 0.00 0.00 64.86 64.64 1jva h ILE 606 Cb 0.34 1.46 -0.01 0.00 -0.74 0.00 0.00 36.82 37.87 1jva h ILE 606 CO -0.00 0.44 -0.17 0.44 0.00 0.00 0.00 178.15 178.86 1jva h ASP 607 N 0.42 0.00 0.00 1.72 3.32 -0.86 -3.06 116.42 117.96 1jva h ASP 607 Ca 0.05 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.93 1jva h ASP 607 Cb 0.77 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.30 1jva h ASP 607 CO 0.06 0.17 -0.99 -1.28 -1.72 0.00 0.00 179.24 175.48 1jva h SER 608 N 0.00 0.00 -1.17 6.45 0.87 -0.93 -3.45 113.55 115.32 1jva h SER 608 Ca -0.00 -0.49 -0.38 0.00 -1.23 0.00 0.00 61.79 59.69 1jva h SER 608 Cb 0.89 0.00 -0.31 0.00 -0.44 0.00 0.00 62.40 62.53 1jva h SER 608 CO 0.02 1.32 -0.93 -0.67 -0.53 0.00 0.00 176.83 176.04 1jva n ASP 609 N -4.48 -0.16 -3.93 6.23 -0.08 -0.51 -4.79 116.55 108.83 1jva n ASP 609 Ca -0.26 -3.12 -0.09 0.00 -1.51 0.00 0.00 54.79 49.80 1jva n ASP 609 Cb 0.59 0.21 -0.06 0.00 2.34 0.00 0.00 41.12 44.21 1jva n ASP 609 CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 1jva s GLY 610 N -2.11 0.39 0.05 0.27 0.00 -1.15 -2.55 107.32 102.21 1jva s GLY 610 Ca 0.32 -0.74 -0.05 0.00 0.00 0.00 0.00 44.72 44.24 1jva s GLY 610 CO -0.06 -0.63 0.09 -2.52 0.00 0.00 0.00 173.10 169.98 1jva s TYR 611 N -3.97 0.25 -0.10 1.90 -0.85 0.11 -4.79 117.35 109.90 1jva s TYR 611 Ca 0.18 -0.62 0.02 0.00 -0.52 0.00 0.00 57.07 56.13 1jva s TYR 611 Cb 0.01 -0.17 -0.01 0.00 0.38 0.00 0.00 41.96 42.16 1jva s TYR 611 CO 0.03 -0.40 -0.17 0.08 -1.52 0.00 0.00 175.55 173.57 1jva s VAL 612 N -3.06 2.77 0.11 -3.49 1.01 -1.26 -0.80 120.40 115.68 1jva s VAL 612 Ca -0.01 -0.78 0.09 0.00 0.00 0.00 0.00 61.98 61.27 1jva s VAL 612 Cb 0.02 -2.11 -0.04 0.00 0.00 0.00 0.00 36.38 34.25 1jva s VAL 612 CO -0.07 0.55 -0.22 0.42 0.00 0.00 0.00 175.10 175.78 1jva s THR 613 N 0.06 1.86 -0.04 3.92 -4.23 -0.65 -5.00 115.64 111.56 1jva s THR 613 Ca -0.07 -1.62 0.05 0.00 -1.18 0.00 0.00 61.69 58.87 1jva s THR 613 Cb -0.15 -1.69 0.08 0.00 1.34 0.00 0.00 72.50 72.08 1jva s THR 613 CO 0.05 -0.04 0.98 -0.90 -0.54 0.00 0.00 174.62 174.18 1jva n ASP 614 N 0.99 0.78 0.23 3.99 5.68 -1.26 -1.82 116.55 125.13 1jva n ASP 614 Ca -0.19 -2.19 -0.11 0.00 -0.50 0.00 0.00 54.79 51.80 1jva n ASP 614 Cb 0.54 -0.23 -0.06 0.00 -1.14 0.00 0.00 41.12 40.23 1jva n ASP 614 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1jva h GLU 615 N 0.00 -0.65 -1.53 0.11 5.08 -1.98 -3.29 114.58 112.31 1jva h GLU 615 Ca 0.00 0.04 -0.64 0.00 -1.00 0.00 0.00 59.36 57.76 1jva h GLU 615 Cb 1.19 0.15 -0.37 0.00 0.50 0.00 0.00 28.75 30.21 1jva h GLU 615 CO 0.00 -0.43 -0.16 0.72 -1.00 0.00 0.00 179.01 178.14 1jva n HIS 616 N -4.16 3.21 0.00 4.33 8.25 -1.26 -5.00 115.22 120.59 1jva n HIS 616 Ca -0.08 -2.79 0.00 0.00 -0.26 0.00 0.00 57.72 54.59 1jva n HIS 616 Cb 0.29 -0.49 0.00 0.00 1.12 0.00 0.00 29.99 30.91 1jva n HIS 616 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1jva n GLY 617 N -0.55 3.03 3.73 -1.41 0.00 -1.24 -5.02 105.19 103.73 1jva n GLY 617 Ca 0.45 -1.68 -0.42 0.00 0.00 0.00 0.00 46.02 44.37 1jva n GLY 617 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1jva s ILE 618 N -1.68 2.59 -0.10 -0.61 1.10 -1.26 -4.33 121.20 116.90 1jva s ILE 618 Ca 0.00 0.46 -0.14 0.00 -0.51 0.00 0.00 60.65 60.46 1jva s ILE 618 Cb 0.00 -3.29 0.03 0.00 0.15 0.00 0.00 42.46 39.35 1jva s ILE 618 CO 0.00 0.06 0.36 -0.75 -2.11 0.00 0.00 174.94 172.50 1jva s LYS 619 N 0.33 0.51 -0.03 3.50 2.20 -0.76 -4.33 119.74 121.15 1jva s LYS 619 Ca 0.65 0.32 0.07 0.00 -0.36 0.00 0.00 55.97 56.65 1jva s LYS 619 Cb -0.43 0.24 -0.02 0.00 -1.51 0.00 0.00 37.83 36.11 1jva s LYS 619 CO 0.38 -0.09 -0.23 0.00 -0.36 0.00 0.00 175.35 175.05 1jva s ALA 620 N -0.24 2.28 -0.12 3.13 0.00 0.51 -1.64 121.76 125.68 1jva s ALA 620 Ca -0.04 -1.08 0.02 0.00 0.00 0.00 0.00 51.96 50.86 1jva s ALA 620 Cb -0.03 -0.67 0.02 0.00 0.00 0.00 0.00 23.12 22.43 1jva s ALA 620 CO 0.02 0.52 -0.16 0.99 0.00 0.00 0.00 175.76 177.12 1jva s THR 621 N -0.57 1.63 -0.08 0.00 2.01 0.02 -0.23 115.64 118.42 1jva s THR 621 Ca 0.08 -0.71 0.02 0.00 0.31 0.00 0.00 61.69 61.39 1jva s THR 621 Cb -0.11 -1.48 -0.02 0.00 0.01 0.00 0.00 72.50 70.90 1jva s THR 621 CO 0.00 0.47 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.63 1jva s ILE 622 N 1.06 3.08 -0.09 1.82 1.01 -0.73 -0.71 121.20 126.64 1jva s ILE 622 Ca -0.04 -0.69 -0.01 0.00 0.00 0.00 0.00 60.65 59.92 1jva s ILE 622 Cb -0.15 -2.25 -0.03 0.00 0.01 0.00 0.00 42.46 40.05 1jva s ILE 622 CO -0.04 0.56 -0.06 -0.54 0.00 0.00 0.00 174.94 174.87 1jva s LYS 623 N -0.27 3.04 -0.01 2.79 -0.14 -1.06 -0.93 119.74 123.16 1jva s LYS 623 Ca 0.02 -0.54 -0.19 0.00 -1.36 0.00 0.00 55.97 53.91 1jva s LYS 623 Cb -0.13 -2.69 0.03 0.00 -1.68 0.00 0.00 37.83 33.36 1jva s LYS 623 CO 0.03 0.54 0.40 -0.08 -0.76 0.00 0.00 175.35 175.47 1jva s THR 624 N -0.46 0.05 -0.05 2.17 -1.32 -0.33 -4.95 115.64 110.74 1jva s THR 624 Ca 0.07 -0.38 0.20 0.00 -1.21 0.00 0.00 61.69 60.37 1jva s THR 624 Cb -0.12 -0.75 -0.31 0.00 -1.51 0.00 0.00 72.50 69.80 1jva s THR 624 CO 0.02 -0.21 0.40 2.30 -2.21 0.00 0.00 174.62 174.92 1jva n ILE 625 N 1.06 0.19 -2.73 5.08 -5.35 -1.26 0.29 119.36 116.64 1jva n ILE 625 Ca -0.21 -0.53 -0.43 0.00 -0.27 0.00 0.00 62.75 61.32 1jva n ILE 625 Cb 0.57 -0.05 -0.03 0.00 -1.74 0.00 0.00 39.64 38.39 1jva n ILE 625 CO 0.00 0.00 0.00 -1.00 -1.76 0.00 0.00 176.55 173.79 1jva s HIS 626 N -3.30 2.95 0.51 4.28 3.76 -1.26 -4.84 115.29 117.38 1jva s HIS 626 Ca -0.08 0.67 0.22 0.00 -0.15 0.00 0.00 55.06 55.72 1jva s HIS 626 Cb 0.12 -4.00 1.31 0.00 1.11 0.00 0.00 32.58 31.12 1jva s HIS 626 CO 0.85 -1.05 1.99 0.00 -0.85 0.00 0.00 174.74 175.69 1jva h THR 627 N 6.02 0.77 -0.43 1.30 1.03 -1.95 0.62 112.91 120.27 1jva h THR 627 Ca -0.23 -0.03 -0.15 0.00 -0.01 0.00 0.00 66.41 65.99 1jva h THR 627 Cb 1.07 0.66 -0.01 0.00 -1.07 0.00 0.00 68.15 68.80 1jva h THR 627 CO 1.05 0.02 -0.30 0.77 -0.01 0.00 0.00 175.52 177.04 1jva h SER 628 N 0.10 0.99 -0.35 0.00 4.64 -1.90 -1.54 113.55 115.50 1jva h SER 628 Ca 0.26 -0.42 -0.08 0.00 -0.47 0.00 0.00 61.79 61.08 1jva h SER 628 Cb 0.91 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.71 1jva h SER 628 CO -0.03 1.21 -0.11 0.58 -0.87 0.00 0.00 176.83 177.61 1jva h VAL 629 N 0.80 1.28 0.03 0.95 2.07 -1.17 -2.41 116.25 117.79 1jva h VAL 629 Ca 0.09 -1.19 0.03 0.00 0.82 0.00 0.00 66.70 66.44 1jva h VAL 629 Cb 0.88 1.34 -0.05 0.00 -1.52 0.00 0.00 31.29 31.94 1jva h VAL 629 CO 0.08 0.39 -0.33 -0.09 0.02 0.00 0.00 177.57 177.64 1jva h ARG 630 N 0.47 -0.48 -0.39 1.57 2.43 -0.88 0.22 114.38 117.32 1jva h ARG 630 Ca 0.08 0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.21 1jva h ARG 630 Cb 0.63 0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.27 1jva h ARG 630 CO 0.04 -0.32 -0.09 -0.44 -1.51 0.00 0.00 179.97 177.65 1jva h ASP 631 N -0.50 0.65 -0.39 -3.80 3.32 -1.33 -1.99 116.42 112.38 1jva h ASP 631 Ca 0.05 -0.18 -0.13 0.00 0.02 0.00 0.00 57.03 56.80 1jva h ASP 631 Cb 0.57 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 1jva h ASP 631 CO -0.25 0.78 -0.24 1.23 -1.72 0.00 0.00 179.24 179.04 1jva h GLY 632 N 0.96 0.97 0.89 2.75 0.00 -1.07 -2.38 103.07 105.20 1jva h GLY 632 Ca 0.11 -0.87 -0.00 0.00 0.00 0.00 0.00 47.33 46.57 1jva h GLY 632 CO 0.03 0.79 -0.04 -2.00 0.00 0.00 0.00 176.54 175.32 1jva h LEU 633 N 0.77 -0.09 -0.94 3.11 5.85 -0.31 -0.03 115.31 123.67 1jva h LEU 633 Ca 0.10 -0.10 0.09 0.00 0.84 0.00 0.00 57.88 58.80 1jva h LEU 633 Cb 0.80 0.02 -0.07 0.00 0.37 0.00 0.00 40.66 41.78 1jva h LEU 633 CO 0.07 0.04 0.59 0.58 -0.34 0.00 0.00 178.44 179.38 1jva h VAL 634 N -0.22 1.00 -0.12 1.05 2.07 -1.34 0.21 116.25 118.90 1jva h VAL 634 Ca -0.01 -0.35 -0.02 0.00 0.82 0.00 0.00 66.70 67.15 1jva h VAL 634 Cb 0.19 -0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 29.85 1jva h VAL 634 CO 0.02 0.18 0.01 -1.28 0.02 0.00 0.00 177.57 176.52 1jva h SER 635 N 1.01 0.19 -0.59 0.57 0.87 -1.15 -2.00 113.55 112.45 1jva h SER 635 Ca 0.43 -0.29 -0.06 0.00 -1.23 0.00 0.00 61.79 60.64 1jva h SER 635 Cb 0.30 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.18 1jva h SER 635 CO -0.21 0.44 0.14 0.25 -0.53 0.00 0.00 176.83 176.91 1jva h LEU 636 N -0.05 0.90 -0.45 2.23 5.85 -0.29 -1.56 115.31 121.94 1jva h LEU 636 Ca 0.03 -0.24 -0.07 0.00 0.84 0.00 0.00 57.88 58.45 1jva h LEU 636 Cb 0.33 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 1jva h LEU 636 CO 0.00 0.91 0.02 0.00 -0.34 0.00 0.00 178.44 179.04 1jva h ALA 637 N 1.03 0.60 0.00 1.25 0.00 -0.60 -2.68 119.26 118.86 1jva h ALA 637 Ca 0.18 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 1jva h ALA 637 Cb 0.36 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1jva h ALA 637 CO 0.00 0.37 -0.32 0.00 0.00 0.00 0.00 179.25 179.30 1jva h ARG 638 N 0.62 0.00 0.00 0.00 3.08 -1.31 -2.24 114.38 114.53 1jva h ARG 638 Ca 0.13 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.17 1jva h ARG 638 Cb 0.46 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.51 1jva h ARG 638 CO 0.02 0.32 -0.07 0.66 -1.07 0.00 0.00 179.97 179.83 1jva h SER 639 N 0.00 0.00 0.62 7.04 4.64 -0.93 -1.90 113.55 123.02 1jva h SER 639 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1jva h SER 639 Cb 0.70 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 1jva h SER 639 CO 0.04 0.07 -0.60 0.18 -0.87 0.00 0.00 176.83 175.65 1jva n LEU 640 N -3.37 0.58 0.00 5.97 4.77 -1.07 -0.55 117.00 123.33 1jva n LEU 640 Ca -0.01 0.08 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 1jva n LEU 640 Cb 0.23 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1jva n LEU 640 CO 0.27 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 1jva n GLY 641 N 1.43 1.11 3.87 -0.72 0.00 -0.71 -4.91 105.19 105.26 1jva n GLY 641 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 1jva n GLY 641 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jva s LEU 642 N 0.00 3.62 -0.21 0.99 1.43 -0.87 -4.91 118.68 118.74 1jva s LEU 642 Ca 0.00 1.24 -0.13 0.00 -1.03 0.00 0.00 54.13 54.21 1jva s LEU 642 Cb 0.00 -4.18 -0.05 0.00 0.03 0.00 0.00 46.19 41.99 1jva s LEU 642 CO 0.00 -0.57 0.25 -0.69 0.23 0.00 0.00 176.35 175.57 1jva s VAL 643 N -2.67 5.31 0.04 -1.59 1.01 0.23 -4.32 120.40 118.40 1jva s VAL 643 Ca 0.53 0.41 0.05 0.00 0.00 0.00 0.00 61.98 62.97 1jva s VAL 643 Cb -0.10 -3.59 -0.02 0.00 0.00 0.00 0.00 36.38 32.66 1jva s VAL 643 CO 0.39 0.33 -0.16 -0.69 0.00 0.00 0.00 175.10 174.97 1jva s VAL 644 N 0.95 1.26 0.07 2.92 1.01 -1.26 -1.92 120.40 123.44 1jva s VAL 644 Ca 0.13 -1.02 -0.10 0.00 0.00 0.00 0.00 61.98 60.98 1jva s VAL 644 Cb -0.13 -1.12 0.01 0.00 0.00 0.00 0.00 36.38 35.13 1jva s VAL 644 CO 0.05 0.08 0.22 -0.94 0.00 0.00 0.00 175.10 174.51 1jva s SER 645 N -1.09 0.04 0.23 3.32 1.04 -0.79 -4.99 113.70 111.46 1jva s SER 645 Ca 0.03 -0.47 0.06 0.00 0.48 0.00 0.00 55.95 56.06 1jva s SER 645 Cb -0.08 0.33 -0.05 0.00 0.10 0.00 0.00 66.02 66.32 1jva s SER 645 CO 0.01 -0.66 -0.08 -0.69 0.98 0.00 0.00 173.24 172.80 1jva s VAL 646 N -3.23 1.53 -0.17 5.02 1.01 -1.26 -0.26 120.40 123.03 1jva s VAL 646 Ca 0.00 -2.13 -0.09 0.00 0.00 0.00 0.00 61.98 59.76 1jva s VAL 646 Cb 0.02 -2.24 0.06 0.00 0.00 0.00 0.00 36.38 34.23 1jva s VAL 646 CO -0.08 -0.45 0.41 0.20 0.00 0.00 0.00 175.10 175.18 1jva s ASN 647 N -3.35 -0.45 0.24 3.32 0.01 0.04 -4.95 114.94 109.81 1jva s ASN 647 Ca 0.26 0.90 -0.03 0.00 -0.71 0.00 0.00 52.86 53.28 1jva s ASN 647 Cb 0.02 0.87 -0.05 0.00 0.41 0.00 0.00 41.25 42.50 1jva s ASN 647 CO 0.09 -0.20 0.47 0.00 -1.51 0.00 0.00 177.10 175.94 1jva s ALA 648 N 1.64 3.73 -0.21 0.60 0.00 -1.25 0.18 121.76 126.43 1jva s ALA 648 Ca -0.08 -0.68 -0.04 0.00 0.00 0.00 0.00 51.96 51.15 1jva s ALA 648 Cb -0.09 -2.15 0.08 0.00 0.00 0.00 0.00 23.12 20.96 1jva s ALA 648 CO -0.13 0.35 0.13 -1.21 0.00 0.00 0.00 175.76 174.91 1jva s GLU 649 N -3.40 0.13 0.00 0.00 2.02 0.79 -4.89 118.70 113.35 1jva s GLU 649 Ca 0.41 -0.17 0.00 0.00 0.02 0.00 0.00 54.97 55.23 1jva s GLU 649 Cb -0.11 -1.50 0.00 0.00 0.10 0.00 0.00 34.13 32.63 1jva s GLU 649 CO 0.29 -0.79 0.53 -2.30 0.02 0.00 0.00 175.26 173.01 1jva n PRO 650 N 5.28 0.00 -0.29 0.39 -0.02 -1.26 0.76 135.00 139.86 1jva n PRO 650 Ca -0.06 -0.26 0.11 0.00 -2.02 0.00 0.00 63.50 61.27 1jva n PRO 650 Cb 0.47 -1.52 0.25 0.00 -0.02 0.00 0.00 33.50 32.68 1jva n PRO 650 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1jva h HIS 660 N 6.53 0.18 -1.37 6.00 -0.00 -2.06 -3.34 115.15 121.08 1jva h HIS 660 Ca 0.00 0.05 -0.43 0.00 -0.00 0.00 0.00 60.37 60.00 1jva h HIS 660 Cb 0.00 0.06 0.02 0.00 -0.00 0.00 0.00 27.41 27.49 1jva h HIS 660 CO 1.30 -0.25 -0.24 -1.59 -0.00 0.00 0.00 177.93 177.14 1jva s LYS 661 N -6.00 2.77 -0.40 5.26 -2.85 -1.26 -4.98 119.74 112.28 1jva s LYS 661 Ca -0.13 -1.29 -0.39 0.00 -1.00 0.00 0.00 55.97 53.17 1jva s LYS 661 Cb 0.25 -2.74 -0.15 0.00 -2.06 0.00 0.00 37.83 33.13 1jva s LYS 661 CO 0.77 -0.33 2.10 1.51 0.10 0.00 0.00 175.35 179.49 1jva n ILE 662 N -1.89 0.13 -4.37 3.79 0.13 -1.25 -4.86 119.36 111.04 1jva n ILE 662 Ca 0.09 -0.14 -0.34 0.00 -1.10 0.00 0.00 62.75 61.26 1jva n ILE 662 Cb 0.59 -1.16 -0.11 0.00 -0.84 0.00 0.00 39.64 38.12 1jva n ILE 662 CO 0.00 0.00 0.00 -0.55 2.80 0.00 0.00 176.55 178.80 1jva s SER 663 N 6.24 4.95 -0.25 9.51 0.15 0.23 -4.60 113.70 129.93 1jva s SER 663 Ca 1.12 -0.06 -0.08 0.00 0.70 0.00 0.00 55.95 57.63 1jva s SER 663 Cb -1.13 -1.71 -0.03 0.00 -1.71 0.00 0.00 66.02 61.44 1jva s SER 663 CO 0.58 0.22 0.09 -0.31 1.20 0.00 0.00 173.24 175.02 1jva s TYR 664 N 0.09 3.12 -0.27 3.44 2.02 0.15 0.28 117.35 126.16 1jva s TYR 664 Ca 0.00 -0.30 -0.09 0.00 -0.37 0.00 0.00 57.07 56.31 1jva s TYR 664 Cb -0.13 -2.26 -0.03 0.00 -0.40 0.00 0.00 41.96 39.14 1jva s TYR 664 CO 0.02 -0.30 0.12 0.00 -1.57 0.00 0.00 175.55 173.83 1jva s ALA 665 N 1.58 3.29 -0.31 3.71 0.00 0.47 -1.19 121.76 129.32 1jva s ALA 665 Ca 0.06 -1.18 -0.11 0.00 0.00 0.00 0.00 51.96 50.73 1jva s ALA 665 Cb -0.15 -2.27 -0.02 0.00 0.00 0.00 0.00 23.12 20.68 1jva s ALA 665 CO 0.05 -0.60 0.20 0.42 0.00 0.00 0.00 175.76 175.82 1jva s ILE 666 N 1.66 5.07 -0.22 0.00 1.09 -0.11 -0.78 121.20 127.91 1jva s ILE 666 Ca 0.06 -0.16 -0.09 0.00 -1.10 0.00 0.00 60.65 59.37 1jva s ILE 666 Cb -0.16 -3.53 -0.04 0.00 -1.06 0.00 0.00 42.46 37.66 1jva s ILE 666 CO 0.06 0.10 0.11 -0.31 -0.10 0.00 0.00 174.94 174.80 1jva s TYR 667 N 1.70 3.25 -0.05 3.97 1.51 0.64 -1.77 117.35 126.60 1jva s TYR 667 Ca 0.06 0.06 0.04 0.00 -1.01 0.00 0.00 57.07 56.22 1jva s TYR 667 Cb -0.17 -2.19 -0.00 0.00 -0.11 0.00 0.00 41.96 39.49 1jva s TYR 667 CO 0.09 0.02 -0.19 -1.64 -1.11 0.00 0.00 175.55 172.72 1jva s MET 668 N 0.90 2.08 0.13 -0.62 -1.94 0.68 -1.88 119.30 118.66 1jva s MET 668 Ca 0.06 -0.69 -0.00 0.00 -1.71 0.00 0.00 55.69 53.35 1jva s MET 668 Cb -0.13 -1.75 -0.04 0.00 2.01 0.00 0.00 34.83 34.91 1jva s MET 668 CO 0.03 0.25 0.03 -1.54 -0.01 0.00 0.00 175.02 173.77 1jva s SER 669 N 0.09 0.60 0.00 3.03 1.04 -0.81 -0.36 113.70 117.29 1jva s SER 669 Ca -0.06 -1.17 0.00 0.00 0.48 0.00 0.00 55.95 55.20 1jva s SER 669 Cb -0.13 0.23 0.00 0.00 0.10 0.00 0.00 66.02 66.22 1jva s SER 669 CO 0.03 -0.66 0.00 0.61 0.98 0.00 0.00 173.24 174.20 1jva n GLY 670 N -0.11 0.00 7.00 7.32 0.00 -1.26 -0.60 105.19 117.54 1jva n GLY 670 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1jva n GLY 670 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jva n GLY 671 N 0.00 3.29 0.40 -0.02 0.00 -1.26 -1.80 105.19 105.81 1jva n GLY 671 Ca 0.00 -0.07 0.19 0.00 0.00 0.00 0.00 46.02 46.14 1jva n GLY 671 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1jva h ASP 672 N 0.14 0.31 -0.74 1.61 3.32 -1.98 0.11 116.42 119.19 1jva h ASP 672 Ca 0.00 0.03 -0.05 0.00 0.02 0.00 0.00 57.03 57.03 1jva h ASP 672 Cb 0.00 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.49 1jva h ASP 672 CO 0.00 0.14 0.28 0.58 -1.72 0.00 0.00 179.24 178.52 1jva h VAL 673 N 0.32 1.26 0.00 -1.35 2.07 -1.72 -1.51 116.25 115.31 1jva h VAL 673 Ca 0.41 -0.82 -0.15 0.00 0.82 0.00 0.00 66.70 66.96 1jva h VAL 673 Cb 1.12 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 1jva h VAL 673 CO -0.12 0.33 -0.70 0.25 0.02 0.00 0.00 177.57 177.35 1jva h LEU 674 N 1.08 0.00 -1.19 2.57 5.85 -0.92 -2.99 115.31 119.70 1jva h LEU 674 Ca 0.25 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.94 1jva h LEU 674 Cb 0.24 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.26 1jva h LEU 674 CO -0.02 0.70 -0.13 -0.07 -0.34 0.00 0.00 178.44 178.59 1jva h LEU 675 N 0.00 0.00 -0.60 2.25 3.38 -0.64 -1.78 115.31 117.92 1jva h LEU 675 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1jva h LEU 675 Cb 1.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.15 1jva h LEU 675 CO 0.09 0.13 0.00 -1.13 0.09 0.00 0.00 178.44 177.62 1jva h ASN 676 N 0.00 0.00 0.00 -0.43 -1.24 -1.13 -1.89 115.58 110.89 1jva h ASN 676 Ca -0.00 0.00 -0.25 0.00 0.71 0.00 0.00 56.30 56.76 1jva h ASN 676 Cb 0.67 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 39.68 1jva h ASN 676 CO 0.02 0.00 -1.44 0.52 -1.29 0.00 0.00 177.43 175.24 1jva n VAL 677 N -2.76 1.52 0.27 2.57 0.31 -0.96 -4.35 118.33 114.93 1jva n VAL 677 Ca 0.03 -0.07 0.10 0.00 -0.01 0.00 0.00 64.34 64.39 1jva n VAL 677 Cb 0.38 -2.05 0.71 0.00 -0.91 0.00 0.00 33.84 31.97 1jva n VAL 677 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1jva h LEU 678 N -1.00 0.00 0.00 7.52 3.38 -1.36 -0.69 115.31 123.16 1jva h LEU 678 Ca -0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.59 1jva h LEU 678 Cb 1.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 1jva h LEU 678 CO -0.23 0.04 0.00 -1.54 0.09 0.00 0.00 178.44 176.80 1jva n SER 679 N -4.20 0.00 -0.66 -0.43 3.41 -0.71 -1.36 113.62 109.67 1jva n SER 679 Ca -0.03 -0.06 0.09 0.00 -0.26 0.00 0.00 58.87 58.62 1jva n SER 679 Cb 0.13 -0.26 0.06 0.00 -0.26 0.00 0.00 64.21 63.87 1jva n SER 679 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1jva n LYS 680 N -1.26 1.57 -2.25 4.33 5.02 -0.27 -4.85 118.16 120.44 1jva n LYS 680 Ca 0.10 -1.43 -0.29 0.00 -2.02 0.00 0.00 58.31 54.66 1jva n LYS 680 Cb 0.16 -1.34 0.00 0.00 -0.02 0.00 0.00 35.03 33.83 1jva n LYS 680 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1jva n ALA 682 N -2.44 2.06 -1.77 0.00 0.00 -1.26 -4.62 120.51 112.47 1jva n ALA 682 Ca 0.04 -0.09 -0.41 0.00 0.00 0.00 0.00 53.44 52.97 1jva n ALA 682 Cb 0.54 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.99 1jva n ALA 682 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1jva s GLY 683 N -0.80 2.72 0.20 0.00 0.00 -1.26 -3.72 107.32 104.45 1jva s GLY 683 Ca 0.00 1.58 -0.12 0.00 0.00 0.00 0.00 44.72 46.18 1jva s GLY 683 CO 0.00 2.34 1.71 0.23 0.00 0.00 0.00 173.10 177.38 1jva h SER 684 N 3.49 -0.02 0.04 1.64 0.87 -1.96 -1.66 113.55 115.96 1jva h SER 684 Ca -0.50 0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.16 1jva h SER 684 Cb 1.23 0.15 0.00 0.00 -0.44 0.00 0.00 62.40 63.34 1jva h SER 684 CO 0.68 0.01 -0.41 0.29 -0.53 0.00 0.00 176.83 176.87 1jva n LYS 685 N -5.13 1.16 0.01 2.24 4.76 -1.26 -4.39 118.16 115.55 1jva n LYS 685 Ca 0.07 -0.90 -0.21 0.00 -2.87 0.00 0.00 58.31 54.40 1jva n LYS 685 Cb 0.28 -1.48 -0.14 0.00 -1.84 0.00 0.00 35.03 31.85 1jva n LYS 685 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 1jva h LYS 686 N 2.21 0.27 -7.00 1.97 1.79 -1.80 -3.41 116.57 110.60 1jva h LYS 686 Ca 0.00 -0.46 -0.54 0.00 -2.18 0.00 0.00 60.65 57.47 1jva h LYS 686 Cb 0.70 0.17 0.12 0.00 -1.58 0.00 0.00 32.23 31.64 1jva h LYS 686 CO 0.00 1.19 0.67 0.12 -1.08 0.00 0.00 179.45 180.35 1jva s PHE 687 N -2.56 2.46 -0.09 -1.35 2.19 -0.67 -4.85 117.98 113.11 1jva s PHE 687 Ca -0.20 1.30 -0.08 0.00 0.33 0.00 0.00 56.93 58.28 1jva s PHE 687 Cb 0.07 -3.86 0.02 0.00 -1.31 0.00 0.00 43.02 37.94 1jva s PHE 687 CO 0.78 -2.83 0.25 1.03 1.83 0.00 0.00 175.22 176.28 1jva s ARG 688 N -2.53 0.28 0.41 10.12 1.81 -1.15 -4.98 118.95 122.91 1jva s ARG 688 Ca 0.63 0.35 -0.26 0.00 -1.72 0.00 0.00 55.73 54.72 1jva s ARG 688 Cb -0.42 0.13 -0.10 0.00 -0.45 0.00 0.00 34.95 34.11 1jva s ARG 688 CO 0.53 -0.04 1.30 -2.30 -0.68 0.00 0.00 175.30 174.11 1jva n PRO 689 N 2.98 2.03 -0.81 3.54 -0.02 -1.26 -2.68 135.00 138.79 1jva n PRO 689 Ca -0.13 0.72 -0.32 0.00 -2.02 0.00 0.00 63.50 61.75 1jva n PRO 689 Cb 0.58 -2.41 0.14 0.00 -0.02 0.00 0.00 33.50 31.79 1jva n PRO 689 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1jva n ALA 690 N -0.08 -1.48 -1.06 3.55 0.00 -1.26 -4.79 120.51 115.39 1jva n ALA 690 Ca 0.06 -0.53 -0.36 0.00 0.00 0.00 0.00 53.44 52.61 1jva n ALA 690 Cb 0.39 -2.02 0.06 0.00 0.00 0.00 0.00 19.45 17.88 1jva n ALA 690 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1jva n PRO 691 N -2.91 0.01 0.20 0.00 -0.02 -1.26 -4.86 135.00 126.16 1jva n PRO 691 Ca 0.10 0.03 0.14 0.00 -2.02 0.00 0.00 63.50 61.75 1jva n PRO 691 Cb 0.52 -1.42 0.51 0.00 -0.02 0.00 0.00 33.50 33.09 1jva n PRO 691 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1jva h ALA 692 N -0.82 1.00 -1.73 3.55 0.00 -1.99 -3.47 119.26 115.79 1jva h ALA 692 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1jva h ALA 692 Cb 1.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1jva h ALA 692 CO 0.34 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.59 1jva n ALA 693 N -1.96 0.00 -1.74 0.00 0.00 -1.26 -5.14 120.51 110.40 1jva n ALA 693 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.09 1jva n ALA 693 Cb 0.34 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.84 1jva n ALA 693 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jva s ALA 694 N -1.00 2.51 -0.09 0.00 0.00 -1.26 -5.02 121.76 116.90 1jva s ALA 694 Ca 0.00 1.21 -0.17 0.00 0.00 0.00 0.00 51.96 53.00 1jva s ALA 694 Cb 0.00 -3.54 0.04 0.00 0.00 0.00 0.00 23.12 19.62 1jva s ALA 694 CO 0.00 -1.47 0.41 -0.59 0.00 0.00 0.00 175.76 174.11 1jva s PHE 695 N -1.41 -0.37 0.11 0.00 -0.71 -1.26 -5.16 117.98 109.19 1jva s PHE 695 Ca 0.79 0.78 0.02 0.00 -1.04 0.00 0.00 56.93 57.48 1jva s PHE 695 Cb -0.37 0.17 -0.04 0.00 -1.21 0.00 0.00 43.02 41.57 1jva s PHE 695 CO 0.40 -0.34 0.20 0.00 -1.34 0.00 0.00 175.22 174.14 1jva s ALA 696 N -0.61 3.83 -0.81 1.99 0.00 -1.26 -5.04 121.76 119.87 1jva s ALA 696 Ca -0.07 -1.01 -0.19 0.00 0.00 0.00 0.00 51.96 50.69 1jva s ALA 696 Cb -0.04 -1.65 0.12 0.00 0.00 0.00 0.00 23.12 21.55 1jva s ALA 696 CO 0.03 0.65 0.99 1.03 0.00 0.00 0.00 175.76 178.46 1jva s ARG 697 N -2.86 3.41 0.88 0.00 0.52 -1.26 -4.96 118.95 114.69 1jva s ARG 697 Ca 0.33 -1.58 -0.11 0.00 -0.52 0.00 0.00 55.73 53.85 1jva s ARG 697 Cb -0.12 -4.62 0.12 0.00 0.52 0.00 0.00 34.95 30.86 1jva s ARG 697 CO 0.26 -1.69 1.10 -1.21 0.02 0.00 0.00 175.30 173.78 1jva s GLU 698 N 2.70 1.35 0.43 3.54 2.02 -1.26 -4.72 118.70 122.75 1jva s GLU 698 Ca 0.25 1.06 -0.22 0.00 0.02 0.00 0.00 54.97 56.08 1jva s GLU 698 Cb -0.11 -1.80 -0.09 0.00 0.10 0.00 0.00 34.13 32.23 1jva s GLU 698 CO -0.03 -2.24 1.02 0.00 0.02 0.00 0.00 175.26 174.03 1jva s ARG 700 N -2.83 2.83 0.33 0.00 1.81 -0.18 -4.93 118.95 115.98 1jva s ARG 700 Ca 0.61 -0.55 0.02 0.00 -1.72 0.00 0.00 55.73 54.10 1jva s ARG 700 Cb -0.17 -2.69 -0.03 0.00 -0.45 0.00 0.00 34.95 31.61 1jva s ARG 700 CO 0.22 0.65 0.50 0.20 -0.68 0.00 0.00 175.30 176.20 1jva s GLY 701 N -1.25 1.36 -0.11 -3.53 0.00 -1.26 -0.32 107.32 102.21 1jva s GLY 701 Ca 0.17 -1.08 -0.06 0.00 0.00 0.00 0.00 44.72 43.75 1jva s GLY 701 CO 0.07 -1.03 0.26 -0.11 0.00 0.00 0.00 173.10 172.29 1jva s PHE 702 N -2.24 -0.34 0.78 1.90 -0.71 0.59 -4.91 117.98 113.05 1jva s PHE 702 Ca 0.40 0.81 -0.11 0.00 -1.04 0.00 0.00 56.93 56.99 1jva s PHE 702 Cb -0.09 0.07 0.06 0.00 -1.21 0.00 0.00 43.02 41.84 1jva s PHE 702 CO 0.34 -0.23 1.08 0.71 -1.34 0.00 0.00 175.22 175.78 1jva s TYR 703 N 1.16 2.72 0.36 3.49 2.02 -1.26 -2.07 117.35 123.77 1jva s TYR 703 Ca -0.08 1.40 -0.17 0.00 -0.37 0.00 0.00 57.07 57.85 1jva s TYR 703 Cb -0.09 -3.03 0.05 0.00 -0.40 0.00 0.00 41.96 38.48 1jva s TYR 703 CO -0.08 -1.74 0.79 -0.59 -1.57 0.00 0.00 175.55 172.36 1jva s PHE 704 N -2.99 0.06 0.03 2.71 -0.71 -1.26 -1.53 117.98 114.29 1jva s PHE 704 Ca 0.61 -0.68 0.03 0.00 -1.04 0.00 0.00 56.93 55.84 1jva s PHE 704 Cb -0.16 0.81 -0.02 0.00 -1.21 0.00 0.00 43.02 42.44 1jva s PHE 704 CO 0.56 -1.48 -0.10 -1.21 -1.34 0.00 0.00 175.22 171.65 1jva s GLU 705 N -2.62 0.65 -0.07 1.99 2.02 0.26 -4.65 118.70 116.29 1jva s GLU 705 Ca 0.15 -0.64 0.03 0.00 0.02 0.00 0.00 54.97 54.53 1jva s GLU 705 Cb -0.05 -0.56 -0.02 0.00 0.10 0.00 0.00 34.13 33.60 1jva s GLU 705 CO 0.10 0.13 -0.17 -1.17 0.02 0.00 0.00 175.26 174.18 1jva s LEU 706 N -1.11 2.57 -0.13 1.80 2.96 -1.26 -1.57 118.68 121.93 1jva s LEU 706 Ca -0.03 -0.30 -0.00 0.00 -0.22 0.00 0.00 54.13 53.58 1jva s LEU 706 Cb -0.07 -1.52 0.03 0.00 0.50 0.00 0.00 46.19 45.12 1jva s LEU 706 CO 0.01 0.28 -0.09 -1.58 -1.32 0.00 0.00 176.35 173.64 1jva s GLN 707 N -0.36 1.78 0.19 1.98 2.00 -0.88 -4.97 119.66 119.40 1jva s GLN 707 Ca 0.03 -0.41 -0.31 0.00 -2.00 0.00 0.00 55.36 52.67 1jva s GLN 707 Cb -0.12 -1.84 -0.10 0.00 0.80 0.00 0.00 33.01 31.74 1jva s GLN 707 CO 0.02 -0.29 1.57 -2.00 -0.50 0.00 0.00 175.29 174.09 1jva s GLU 708 N 1.62 4.21 0.42 1.67 2.12 -1.26 -2.14 118.70 125.34 1jva s GLU 708 Ca 0.04 2.39 0.07 0.00 0.36 0.00 0.00 54.97 57.83 1jva s GLU 708 Cb -0.13 -3.13 -0.06 0.00 0.26 0.00 0.00 34.13 31.06 1jva s GLU 708 CO -0.09 -0.60 0.07 -0.51 -0.54 0.00 0.00 175.26 173.59 1jva s LEU 709 N 0.83 2.89 0.63 2.70 1.43 0.96 -4.95 118.68 123.16 1jva s LEU 709 Ca 0.69 -1.31 -0.14 0.00 -1.03 0.00 0.00 54.13 52.33 1jva s LEU 709 Cb -0.44 -1.04 -0.02 0.00 0.03 0.00 0.00 46.19 44.71 1jva s LEU 709 CO 0.34 -0.53 1.05 -1.59 0.23 0.00 0.00 176.35 175.86 1jva s LYS 710 N -3.79 3.21 0.24 1.70 -2.85 -1.26 -3.63 119.74 113.36 1jva s LYS 710 Ca 0.34 1.09 -0.31 0.00 -1.00 0.00 0.00 55.97 56.09 1jva s LYS 710 Cb 0.07 -2.02 -0.12 0.00 -2.06 0.00 0.00 37.83 33.70 1jva s LYS 710 CO 0.18 -0.89 1.68 -2.00 0.10 0.00 0.00 175.35 174.42 1jva s GLU 711 N -4.45 4.12 0.31 1.78 2.12 -1.26 -3.97 118.70 117.36 1jva s GLU 711 Ca 0.61 2.60 -0.01 0.00 0.36 0.00 0.00 54.97 58.53 1jva s GLU 711 Cb -0.15 -3.05 0.01 0.00 0.26 0.00 0.00 34.13 31.19 1jva s GLU 711 CO 0.43 -0.72 0.43 -0.25 -0.54 0.00 0.00 175.26 174.61 1jva n ASP 712 N 3.37 -1.18 -4.76 -1.70 9.92 -1.14 -4.94 116.55 116.12 1jva n ASP 712 Ca 0.13 -2.72 -0.40 0.00 -0.53 0.00 0.00 54.79 51.27 1jva n ASP 712 Cb 0.36 2.23 -0.04 0.00 -0.64 0.00 0.00 41.12 43.02 1jva n ASP 712 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 1jva s ASP 713 N -2.96 7.25 0.07 -2.24 1.01 -1.26 -2.85 116.67 115.69 1jva s ASP 713 Ca 0.27 2.27 0.08 0.00 0.71 0.00 0.00 52.55 55.88 1jva s ASP 713 Cb -0.01 -2.63 -0.03 0.00 1.01 0.00 0.00 42.92 41.27 1jva s ASP 713 CO 0.19 -0.16 -0.22 -0.72 0.21 0.00 0.00 175.17 174.47 1jva s TYR 714 N -1.06 1.94 0.14 4.23 -0.85 0.55 -4.30 117.35 118.00 1jva s TYR 714 Ca 0.45 -0.39 0.08 0.00 -0.52 0.00 0.00 57.07 56.69 1jva s TYR 714 Cb -0.32 -1.12 -0.04 0.00 0.38 0.00 0.00 41.96 40.86 1jva s TYR 714 CO 0.41 0.16 -0.18 0.71 -1.52 0.00 0.00 175.55 175.12 1jva s TYR 715 N -0.93 1.73 0.31 -3.49 1.51 0.43 -3.12 117.35 113.79 1jva s TYR 715 Ca 0.09 -0.47 -0.12 0.00 -1.01 0.00 0.00 57.07 55.55 1jva s TYR 715 Cb -0.09 -0.89 0.01 0.00 -0.11 0.00 0.00 41.96 40.88 1jva s TYR 715 CO 0.03 0.27 0.59 0.20 -1.11 0.00 0.00 175.55 175.53 1jva s GLY 716 N -2.45 0.61 -0.06 0.71 0.00 -1.01 0.35 107.32 105.47 1jva s GLY 716 Ca 0.12 -0.90 -0.01 0.00 0.00 0.00 0.00 44.72 43.93 1jva s GLY 716 CO 0.05 -0.55 0.00 -0.26 0.00 0.00 0.00 173.10 172.35 1jva s ILE 717 N -3.39 0.30 -0.15 0.90 -4.36 -1.26 -3.60 121.20 109.64 1jva s ILE 717 Ca 0.21 0.13 -0.15 0.00 -0.26 0.00 0.00 60.65 60.58 1jva s ILE 717 Cb -0.03 -0.45 -0.04 0.00 1.25 0.00 0.00 42.46 43.19 1jva s ILE 717 CO 0.12 0.23 0.35 -0.89 0.24 0.00 0.00 174.94 174.99 1jva s THR 718 N 1.78 5.27 0.33 8.37 2.01 -0.89 -1.30 115.64 131.21 1jva s THR 718 Ca 0.02 0.67 0.06 0.00 0.31 0.00 0.00 61.69 62.75 1jva s THR 718 Cb -0.13 -3.69 -0.01 0.00 0.01 0.00 0.00 72.50 68.69 1jva s THR 718 CO -0.04 0.36 0.47 -0.76 -0.69 0.00 0.00 174.62 173.96 1jva s LEU 719 N 0.55 3.98 0.18 4.42 1.43 -1.26 0.38 118.68 128.36 1jva s LEU 719 Ca 0.19 -0.18 -0.33 0.00 -1.03 0.00 0.00 54.13 52.79 1jva s LEU 719 Cb -0.14 -2.76 -0.13 0.00 0.03 0.00 0.00 46.19 43.19 1jva s LEU 719 CO 0.06 -0.42 1.65 -0.24 0.23 0.00 0.00 176.35 177.62 1jva n SER 720 N -1.64 3.53 0.15 2.29 2.88 -1.23 -4.80 113.62 114.81 1jva n SER 720 Ca -0.00 1.07 0.09 0.00 -1.33 0.00 0.00 58.87 58.70 1jva n SER 720 Cb 0.58 -1.50 0.47 0.00 -0.75 0.00 0.00 64.21 63.02 1jva n SER 720 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1jva n ASP 721 N 3.70 0.45 -0.29 -3.46 8.00 -1.26 0.28 116.55 123.97 1jva n ASP 721 Ca 0.17 0.67 0.13 0.00 0.71 0.00 0.00 54.79 56.47 1jva n ASP 721 Cb 0.32 -0.69 0.47 0.00 -0.02 0.00 0.00 41.12 41.19 1jva n ASP 721 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1jva n ASP 722 N -2.14 1.07 -1.97 -2.24 5.75 -1.26 -4.90 116.55 110.86 1jva n ASP 722 Ca -0.01 -1.03 0.00 0.00 -0.01 0.00 0.00 54.79 53.74 1jva n ASP 722 Cb 0.14 0.06 0.00 0.00 -1.03 0.00 0.00 41.12 40.30 1jva n ASP 722 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1jva n SER 723 N -0.45 0.00 -0.47 -1.12 3.41 0.14 -4.97 113.62 110.17 1jva n SER 723 Ca 0.15 -0.89 0.11 0.00 -0.26 0.00 0.00 58.87 57.98 1jva n SER 723 Cb 0.34 0.00 0.43 0.00 -0.26 0.00 0.00 64.21 64.71 1jva n SER 723 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1jva n ASP 724 N -2.66 1.41 -1.35 4.04 5.68 -1.26 -4.92 116.55 117.48 1jva n ASP 724 Ca 0.00 -1.63 -0.18 0.00 -0.50 0.00 0.00 54.79 52.48 1jva n ASP 724 Cb 0.00 -0.08 -0.08 0.00 -1.14 0.00 0.00 41.12 39.83 1jva n ASP 724 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 1jva n HIS 725 N 0.14 0.00 -4.15 2.11 8.25 -1.26 -4.98 115.22 115.33 1jva n HIS 725 Ca 0.16 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.48 1jva n HIS 725 Cb 0.30 -3.11 -0.11 0.00 1.12 0.00 0.00 29.99 28.19 1jva n HIS 725 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1jva s GLN 726 N -3.48 0.77 0.24 -0.41 -0.21 -1.26 -0.08 119.66 115.23 1jva s GLN 726 Ca 0.00 -1.05 -0.15 0.00 0.02 0.00 0.00 55.36 54.19 1jva s GLN 726 Cb 0.00 -0.51 0.00 0.00 1.00 0.00 0.00 33.01 33.51 1jva s GLN 726 CO 0.00 0.08 0.52 -0.59 -2.12 0.00 0.00 175.29 173.18 1jva s PHE 727 N -2.09 0.21 -0.14 0.91 -0.71 -0.95 -4.57 117.98 110.64 1jva s PHE 727 Ca 0.01 -0.59 -0.04 0.00 -1.04 0.00 0.00 56.93 55.27 1jva s PHE 727 Cb -0.05 0.29 -0.03 0.00 -1.21 0.00 0.00 43.02 42.02 1jva s PHE 727 CO 0.00 -1.02 0.02 -0.51 -1.34 0.00 0.00 175.22 172.37 1jva s LEU 728 N -2.98 3.61 1.00 -1.99 1.43 -0.10 -1.78 118.68 117.87 1jva s LEU 728 Ca 0.19 0.07 -0.14 0.00 -1.03 0.00 0.00 54.13 53.21 1jva s LEU 728 Cb -0.01 -1.87 0.19 0.00 0.03 0.00 0.00 46.19 44.53 1jva s LEU 728 CO 0.07 0.26 1.15 -0.76 0.23 0.00 0.00 176.35 177.30 1jva s LEU 729 N -0.17 1.70 0.53 1.79 1.43 -0.67 -1.70 118.68 121.58 1jva s LEU 729 Ca 0.06 0.84 0.27 0.00 -1.03 0.00 0.00 54.13 54.26 1jva s LEU 729 Cb -0.12 -2.96 1.47 0.00 0.03 0.00 0.00 46.19 44.61 1jva s LEU 729 CO 0.02 -3.06 2.09 0.00 0.23 0.00 0.00 176.35 175.63 1jva h ALA 730 N -1.85 1.36 -0.38 4.21 0.00 -1.49 -1.54 119.26 119.57 1jva h ALA 730 Ca -0.49 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1jva h ALA 730 Cb 1.31 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1jva h ALA 730 CO 0.52 0.13 0.00 0.27 0.00 0.00 0.00 179.25 180.17 1jva n ASN 731 N -3.73 3.33 0.00 0.00 0.23 -1.26 -4.88 115.26 108.94 1jva n ASN 731 Ca -0.02 -2.36 0.00 0.00 -0.53 0.00 0.00 54.58 51.67 1jva n ASN 731 Cb 0.21 -0.50 0.00 0.00 -2.08 0.00 0.00 39.78 37.41 1jva n ASN 731 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1jva n GLN 732 N 0.52 0.00 -1.89 -3.83 6.02 -0.58 -4.95 117.38 112.67 1jva n GLN 732 Ca 0.16 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.74 1jva n GLN 732 Cb 0.66 -2.90 -0.02 0.00 1.02 0.00 0.00 30.24 29.00 1jva n GLN 732 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1jva s VAL 733 N -3.14 2.36 -0.39 5.09 1.01 -1.26 -0.96 120.40 123.10 1jva s VAL 733 Ca 0.00 0.30 -0.24 0.00 0.00 0.00 0.00 61.98 62.04 1jva s VAL 733 Cb 0.00 -3.19 0.02 0.00 0.00 0.00 0.00 36.38 33.20 1jva s VAL 733 CO 0.00 0.05 0.86 -0.69 0.00 0.00 0.00 175.10 175.32 1jva s VAL 734 N -0.07 4.62 0.38 2.92 1.01 0.13 -1.66 120.40 127.72 1jva s VAL 734 Ca 0.61 0.93 0.08 0.00 0.00 0.00 0.00 61.98 63.59 1jva s VAL 734 Cb -0.45 -4.30 -0.05 0.00 0.00 0.00 0.00 36.38 31.57 1jva s VAL 734 CO 0.46 -0.57 0.11 0.68 0.00 0.00 0.00 175.10 175.79 1jva s VAL 735 N 3.37 2.51 0.16 2.92 -7.23 -0.74 -4.40 120.40 117.00 1jva s VAL 735 Ca 0.35 -1.80 -0.09 0.00 -1.81 0.00 0.00 61.98 58.63 1jva s VAL 735 Cb -0.12 -2.93 -0.06 0.00 0.56 0.00 0.00 36.38 33.82 1jva s VAL 735 CO 0.20 -0.09 0.47 -2.28 -0.31 0.00 0.00 175.10 173.08 1jva s HIS 736 N -2.55 3.49 0.69 2.82 2.46 -1.25 -2.25 115.29 118.71 1jva s HIS 736 Ca 0.38 0.78 -0.17 0.00 0.47 0.00 0.00 55.06 56.53 1jva s HIS 736 Cb 0.02 -2.18 0.01 0.00 -0.13 0.00 0.00 32.58 30.31 1jva s HIS 736 CO 0.21 0.39 1.23 0.45 -2.47 0.00 0.00 174.74 174.55 1jva n SER 737 N 0.25 1.63 -4.51 9.88 2.88 0.88 -4.88 113.62 119.75 1jva n SER 737 Ca -0.03 0.75 -0.43 0.00 -1.33 0.00 0.00 58.87 57.83 1jva n SER 737 Cb 0.52 -1.53 -0.00 0.00 -0.75 0.00 0.00 64.21 62.45 1jva n SER 737 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1jva s SER 738 N -1.58 6.93 0.13 -3.46 0.01 -0.42 -4.84 113.70 110.47 1jva s SER 738 Ca 0.79 -2.66 0.01 0.00 1.31 0.00 0.00 55.95 55.40 1jva s SER 738 Cb -0.36 -2.47 -0.04 0.00 0.21 0.00 0.00 66.02 63.36 1jva s SER 738 CO 0.44 -0.95 0.29 -0.83 0.41 0.00 0.00 173.24 172.60 1jva s GLY 739 N 3.47 1.91 0.34 3.44 0.00 -1.26 -4.32 107.32 110.90 1jva s GLY 739 Ca 0.46 -0.90 -0.20 0.00 0.00 0.00 0.00 44.72 44.08 1jva s GLY 739 CO 0.01 -0.88 0.84 1.85 0.00 0.00 0.00 173.10 174.93 1jva s GLU 740 N -2.98 4.22 0.00 2.90 2.12 -1.26 -3.27 118.70 120.43 1jva s GLU 740 Ca 0.36 0.97 0.00 0.00 0.36 0.00 0.00 54.97 56.66 1jva s GLU 740 Cb -0.12 -2.49 0.00 0.00 0.26 0.00 0.00 34.13 31.78 1jva s GLU 740 CO 0.28 0.16 0.19 -2.13 -0.54 0.00 0.00 175.26 173.22