#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nby s VAL 302 N 0.00 4.73 0.06 6.31 1.01 -1.26 -4.14 120.40 127.11 1nby s VAL 302 Ca 0.00 2.00 0.04 0.00 0.00 0.00 0.00 61.98 64.03 1nby s VAL 302 Cb 0.00 -4.29 -0.03 0.00 0.00 0.00 0.00 36.38 32.07 1nby s VAL 302 CO 0.00 0.01 -0.13 -1.10 0.00 0.00 0.00 175.10 173.88 1nby s GLN 303 N 2.00 0.78 0.13 2.72 -0.21 -0.04 -4.96 119.66 120.07 1nby s GLN 303 Ca 0.49 -0.85 0.08 0.00 0.02 0.00 0.00 55.36 55.11 1nby s GLN 303 Cb -0.19 -0.74 -0.04 0.00 1.00 0.00 0.00 33.01 33.04 1nby s GLN 303 CO 0.19 0.17 -0.20 -0.51 -2.12 0.00 0.00 175.29 172.82 1nby s LEU 304 N -1.52 2.36 -0.17 2.90 1.43 -1.26 -1.15 118.68 121.27 1nby s LEU 304 Ca -0.03 -0.77 -0.08 0.00 -1.03 0.00 0.00 54.13 52.23 1nby s LEU 304 Cb -0.09 -0.86 0.07 0.00 0.03 0.00 0.00 46.19 45.33 1nby s LEU 304 CO 0.02 0.02 0.40 -1.58 0.23 0.00 0.00 176.35 175.43 1nby s GLN 305 N -2.31 0.36 0.19 1.70 2.00 -0.91 -4.31 119.66 116.38 1nby s GLN 305 Ca 0.11 0.84 -0.14 0.00 -2.00 0.00 0.00 55.36 54.16 1nby s GLN 305 Cb -0.08 0.06 -0.07 0.00 0.80 0.00 0.00 33.01 33.71 1nby s GLN 305 CO 0.05 -0.19 0.59 -1.21 -0.50 0.00 0.00 175.29 174.04 1nby s GLU 306 N 1.73 3.98 -0.07 1.67 8.01 -1.26 -0.76 118.70 132.01 1nby s GLU 306 Ca -0.07 0.52 -0.21 0.00 0.01 0.00 0.00 54.97 55.22 1nby s GLU 306 Cb -0.09 -2.82 0.04 0.00 -4.31 0.00 0.00 34.13 26.95 1nby s GLU 306 CO -0.12 0.40 0.47 -1.54 0.01 0.00 0.00 175.26 174.48 1nby s SER 307 N -1.89 -0.42 0.00 -0.19 1.04 -0.08 -4.90 113.70 107.26 1nby s SER 307 Ca 0.42 0.51 0.00 0.00 0.48 0.00 0.00 55.95 57.36 1nby s SER 307 Cb -0.14 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.53 1nby s SER 307 CO 0.20 -0.43 0.00 0.61 0.98 0.00 0.00 173.24 174.59 1nby n GLY 308 N 1.52 0.86 3.63 7.32 0.00 -1.26 -0.74 105.19 116.52 1nby n GLY 308 Ca -0.19 -1.45 -0.45 0.00 0.00 0.00 0.00 46.02 43.93 1nby n GLY 308 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1nby n PRO 309 N -1.34 1.65 0.02 1.61 -0.02 -1.26 -4.89 135.00 130.77 1nby n PRO 309 Ca 0.00 0.58 0.12 0.00 -2.02 0.00 0.00 63.50 62.18 1nby n PRO 309 Cb 0.00 -2.11 0.17 0.00 -0.02 0.00 0.00 33.50 31.54 1nby n PRO 309 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1nby n SER 310 N 1.60 0.59 -3.98 2.55 3.41 -1.26 -4.82 113.62 111.70 1nby n SER 310 Ca 0.10 -0.23 -0.22 0.00 -0.26 0.00 0.00 58.87 58.26 1nby n SER 310 Cb 0.31 0.38 -0.16 0.00 -0.26 0.00 0.00 64.21 64.48 1nby n SER 310 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1nby s LEU 311 N -3.38 1.59 -0.02 1.04 2.96 -1.26 -0.96 118.68 118.65 1nby s LEU 311 Ca 0.09 -0.23 0.03 0.00 -0.22 0.00 0.00 54.13 53.80 1nby s LEU 311 Cb 0.16 -0.66 0.00 0.00 0.50 0.00 0.00 46.19 46.19 1nby s LEU 311 CO 0.73 0.02 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.99 1nby s VAL 312 N 0.61 0.86 0.32 1.68 1.01 -0.21 -4.96 120.40 119.71 1nby s VAL 312 Ca -0.11 -0.41 -0.18 0.00 0.00 0.00 0.00 61.98 61.27 1nby s VAL 312 Cb -0.14 -0.75 -0.09 0.00 0.00 0.00 0.00 36.38 35.40 1nby s VAL 312 CO 0.02 0.26 0.79 -0.54 0.00 0.00 0.00 175.10 175.63 1nby s LYS 313 N 0.09 4.16 0.29 2.72 1.02 -1.26 -1.38 119.74 125.38 1nby s LYS 313 Ca -0.02 0.86 -0.29 0.00 0.02 0.00 0.00 55.97 56.54 1nby s LYS 313 Cb -0.08 -2.52 -0.13 0.00 -0.52 0.00 0.00 37.83 34.58 1nby s LYS 313 CO 0.00 0.19 1.25 -2.30 -0.92 0.00 0.00 175.35 173.57 1nby n PRO 314 N -0.08 1.85 0.00 -1.68 -0.02 -1.26 -1.47 135.00 132.34 1nby n PRO 314 Ca 0.03 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 1nby n PRO 314 Cb 0.53 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 1nby n PRO 314 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1nby n SER 315 N 1.38 0.00 -4.53 2.55 3.41 0.86 -4.92 113.62 112.36 1nby n SER 315 Ca 0.09 0.00 -0.25 0.00 -0.26 0.00 0.00 58.87 58.45 1nby n SER 315 Cb 0.33 0.00 0.13 0.00 -0.26 0.00 0.00 64.21 64.41 1nby n SER 315 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1nby s GLN 316 N -0.22 1.38 -0.13 4.33 -1.52 -0.54 -3.78 119.66 119.17 1nby s GLN 316 Ca 0.00 -1.05 -0.11 0.00 -1.95 0.00 0.00 55.36 52.25 1nby s GLN 316 Cb 0.00 -2.23 -0.05 0.00 -0.22 0.00 0.00 33.01 30.51 1nby s GLN 316 CO 0.00 -1.71 0.22 0.99 -0.25 0.00 0.00 175.29 174.54 1nby s THR 317 N -3.31 5.36 -0.16 -0.19 2.01 -1.26 -2.05 115.64 116.03 1nby s THR 317 Ca 0.69 0.40 -0.14 0.00 0.31 0.00 0.00 61.69 62.94 1nby s THR 317 Cb -0.04 -3.53 -0.04 0.00 0.01 0.00 0.00 72.50 68.89 1nby s THR 317 CO 0.46 0.50 0.32 -0.22 -0.69 0.00 0.00 174.62 175.00 1nby s LEU 318 N -0.26 4.23 -0.08 4.42 0.20 -0.15 -4.96 118.68 122.09 1nby s LEU 318 Ca 0.15 0.53 0.02 0.00 0.69 0.00 0.00 54.13 55.52 1nby s LEU 318 Cb -0.13 -2.42 0.01 0.00 -0.43 0.00 0.00 46.19 43.23 1nby s LEU 318 CO 0.04 0.06 -0.12 -0.44 -0.29 0.00 0.00 176.35 175.60 1nby s SER 319 N 0.59 1.89 0.06 3.68 0.01 -1.26 -1.25 113.70 117.41 1nby s SER 319 Ca 0.18 -0.31 0.04 0.00 1.31 0.00 0.00 55.95 57.17 1nby s SER 319 Cb -0.13 -0.85 -0.03 0.00 0.21 0.00 0.00 66.02 65.22 1nby s SER 319 CO 0.05 0.01 -0.13 -0.76 0.41 0.00 0.00 173.24 172.82 1nby s LEU 320 N 0.84 2.25 -0.03 2.44 1.43 -0.59 -4.18 118.68 120.84 1nby s LEU 320 Ca -0.11 -0.57 0.06 0.00 -1.03 0.00 0.00 54.13 52.48 1nby s LEU 320 Cb -0.15 -0.45 -0.02 0.00 0.03 0.00 0.00 46.19 45.60 1nby s LEU 320 CO 0.02 -0.08 -0.20 -0.89 0.23 0.00 0.00 176.35 175.42 1nby s THR 321 N -1.21 2.59 -0.21 5.49 2.01 0.08 -1.23 115.64 123.17 1nby s THR 321 Ca -0.03 -0.93 0.02 0.00 0.31 0.00 0.00 61.69 61.05 1nby s THR 321 Cb -0.09 -1.98 0.03 0.00 0.01 0.00 0.00 72.50 70.47 1nby s THR 321 CO 0.02 0.57 -0.17 0.00 -0.69 0.00 0.00 174.62 174.35 1nby s SER 323 N 1.22 6.50 -0.20 0.00 0.01 0.06 -1.81 113.70 119.49 1nby s SER 323 Ca -0.00 0.60 -0.10 0.00 1.31 0.00 0.00 55.95 57.76 1nby s SER 323 Cb -0.16 -2.26 -0.05 0.00 0.21 0.00 0.00 66.02 63.76 1nby s SER 323 CO -0.10 -0.12 0.12 -0.69 0.41 0.00 0.00 173.24 172.86 1nby s VAL 324 N 1.45 5.29 0.07 3.43 1.01 -0.82 -2.13 120.40 128.70 1nby s VAL 324 Ca 0.22 0.15 0.05 0.00 0.00 0.00 0.00 61.98 62.39 1nby s VAL 324 Cb -0.15 -3.42 -0.03 0.00 0.00 0.00 0.00 36.38 32.78 1nby s VAL 324 CO 0.09 0.44 -0.13 0.42 0.00 0.00 0.00 175.10 175.91 1nby s THR 325 N 0.42 1.02 0.00 3.92 -4.23 -0.30 -4.79 115.64 111.68 1nby s THR 325 Ca 0.07 -1.27 0.00 0.00 -1.18 0.00 0.00 61.69 59.31 1nby s THR 325 Cb -0.11 -1.00 0.00 0.00 1.34 0.00 0.00 72.50 72.73 1nby s THR 325 CO -0.01 -0.25 0.00 0.61 -0.54 0.00 0.00 174.62 174.43 1nby n GLY 326 N 1.30 3.03 3.46 3.99 0.00 -1.26 -0.86 105.19 114.85 1nby n GLY 326 Ca -0.21 -0.20 -0.09 0.00 0.00 0.00 0.00 46.02 45.51 1nby n GLY 326 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1nby s ASP 327 N 0.77 -0.10 0.57 1.61 3.68 -1.26 -4.73 116.67 117.21 1nby s ASP 327 Ca 0.00 -0.74 -0.18 0.00 2.13 0.00 0.00 52.55 53.76 1nby s ASP 327 Cb 0.00 0.52 -0.05 0.00 -1.45 0.00 0.00 42.92 41.95 1nby s ASP 327 CO 0.00 -1.01 1.10 -0.55 0.13 0.00 0.00 175.17 174.84 1nby s SER 328 N -2.94 5.67 0.25 -0.34 0.15 -1.26 -4.91 113.70 110.32 1nby s SER 328 Ca 0.15 2.05 0.24 0.00 0.70 0.00 0.00 55.95 59.10 1nby s SER 328 Cb 0.01 -2.56 0.96 0.00 -1.71 0.00 0.00 66.02 62.71 1nby s SER 328 CO 0.01 -1.25 1.72 0.55 1.20 0.00 0.00 173.24 175.48 1nby n VAL 329 N -1.61 0.79 0.72 4.45 3.14 -1.26 -1.47 118.33 123.09 1nby n VAL 329 Ca 0.11 0.15 0.10 0.00 -2.96 0.00 0.00 64.34 61.74 1nby n VAL 329 Cb 0.52 -1.07 0.28 0.00 -1.06 0.00 0.00 33.84 32.51 1nby n VAL 329 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 1nby n THR 330 N -2.24 0.41 0.55 1.55 -2.24 -1.26 -4.12 114.28 106.92 1nby n THR 330 Ca 0.03 -0.56 0.10 0.00 -2.27 0.00 0.00 64.05 61.34 1nby n THR 330 Cb 0.26 0.59 0.26 0.00 -2.10 0.00 0.00 70.33 69.35 1nby n THR 330 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1nby n SER 331 N 0.89 2.68 -3.41 3.42 3.41 -0.54 -4.98 113.62 115.10 1nby n SER 331 Ca 0.17 -1.93 -0.04 0.00 -0.26 0.00 0.00 58.87 56.82 1nby n SER 331 Cb 0.45 -0.27 0.01 0.00 -0.26 0.00 0.00 64.21 64.15 1nby n SER 331 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1nby s ASP 332 N -1.26 -0.04 0.01 4.04 3.68 -1.26 -5.01 116.67 116.83 1nby s ASP 332 Ca 0.35 -0.67 -0.07 0.00 2.13 0.00 0.00 52.55 54.29 1nby s ASP 332 Cb 0.19 0.55 -0.05 0.00 -1.45 0.00 0.00 42.92 42.16 1nby s ASP 332 CO 0.26 -1.07 0.28 -0.31 0.13 0.00 0.00 175.17 174.47 1nby s TYR 333 N -2.49 3.59 0.03 -5.34 1.51 -1.26 -4.48 117.35 108.91 1nby s TYR 333 Ca 0.18 0.61 0.07 0.00 -1.01 0.00 0.00 57.07 56.92 1nby s TYR 333 Cb -0.03 -2.01 -0.02 0.00 -0.11 0.00 0.00 41.96 39.79 1nby s TYR 333 CO 0.05 0.61 -0.20 -1.58 -1.11 0.00 0.00 175.55 173.32 1nby s TRP 334 N -1.29 1.79 0.28 2.71 0.52 -0.49 -1.37 118.94 121.10 1nby s TRP 334 Ca 0.27 -0.37 0.04 0.00 0.02 0.00 0.00 56.10 56.06 1nby s TRP 334 Cb -0.13 -1.08 -0.06 0.00 -1.15 0.00 0.00 33.47 31.05 1nby s TRP 334 CO 0.16 0.07 0.03 -1.12 0.02 0.00 0.00 176.95 176.10 1nby s SER 335 N -1.06 2.10 -0.09 2.95 0.01 0.76 -1.02 113.70 117.36 1nby s SER 335 Ca 0.07 -1.31 0.01 0.00 1.31 0.00 0.00 55.95 56.04 1nby s SER 335 Cb -0.09 -0.03 0.02 0.00 0.21 0.00 0.00 66.02 66.13 1nby s SER 335 CO 0.01 -0.56 -0.10 0.26 0.41 0.00 0.00 173.24 173.26 1nby s TRP 336 N -3.36 1.47 -0.01 2.43 0.52 -0.80 -1.76 118.94 117.43 1nby s TRP 336 Ca 0.33 -0.63 0.04 0.00 0.02 0.00 0.00 56.10 55.86 1nby s TRP 336 Cb 0.07 -1.14 -0.01 0.00 -1.15 0.00 0.00 33.47 31.24 1nby s TRP 336 CO 0.13 -0.38 -0.12 0.42 0.02 0.00 0.00 176.95 177.02 1nby s ILE 337 N 1.11 0.95 0.15 2.03 1.01 -0.43 -0.86 121.20 125.16 1nby s ILE 337 Ca -0.06 -0.50 0.08 0.00 0.00 0.00 0.00 60.65 60.17 1nby s ILE 337 Cb -0.14 -0.80 -0.04 0.00 0.01 0.00 0.00 42.46 41.48 1nby s ILE 337 CO -0.02 0.27 -0.18 0.00 0.00 0.00 0.00 174.94 175.01 1nby s ARG 338 N -0.18 1.21 -0.20 2.79 1.70 -0.66 -0.24 118.95 123.38 1nby s ARG 338 Ca 0.03 -1.33 0.01 0.00 -0.47 0.00 0.00 55.73 53.97 1nby s ARG 338 Cb -0.06 -1.30 0.04 0.00 -0.57 0.00 0.00 34.95 33.06 1nby s ARG 338 CO -0.00 0.27 -0.14 0.21 -1.08 0.00 0.00 175.30 174.57 1nby s LYS 339 N -2.57 2.36 0.59 3.89 2.20 0.38 -0.88 119.74 125.71 1nby s LYS 339 Ca 0.13 -0.89 -0.07 0.00 -0.36 0.00 0.00 55.97 54.78 1nby s LYS 339 Cb -0.07 -2.50 -0.00 0.00 -1.51 0.00 0.00 37.83 33.75 1nby s LYS 339 CO 0.06 -0.37 0.92 -0.06 -0.36 0.00 0.00 175.35 175.54 1nby s PHE 340 N 1.33 3.35 0.71 4.03 0.08 0.09 -1.64 117.98 125.93 1nby s PHE 340 Ca -0.00 0.79 -0.16 0.00 0.12 0.00 0.00 56.93 57.68 1nby s PHE 340 Cb -0.16 -2.71 0.01 0.00 -0.57 0.00 0.00 43.02 39.59 1nby s PHE 340 CO -0.09 -0.77 1.00 -2.30 -0.10 0.00 0.00 175.22 172.95 1nby n PRO 341 N -2.60 0.55 -0.69 0.24 -0.02 -1.26 -2.83 135.00 128.38 1nby n PRO 341 Ca 0.04 0.24 0.00 0.00 -2.02 0.00 0.00 63.50 61.77 1nby n PRO 341 Cb 0.57 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 1nby n PRO 341 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nby n GLY 342 N 1.07 0.60 3.61 -1.23 0.00 -1.26 -4.13 105.19 103.84 1nby n GLY 342 Ca 0.13 -0.54 -0.21 0.00 0.00 0.00 0.00 46.02 45.41 1nby n GLY 342 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1nby n ASN 343 N 0.97 -2.59 -4.30 1.61 5.03 -1.15 -4.97 115.26 109.86 1nby n ASN 343 Ca 0.00 -0.70 -0.38 0.00 0.87 0.00 0.00 54.58 54.37 1nby n ASN 343 Cb 0.00 -4.56 -0.12 0.00 -1.02 0.00 0.00 39.78 34.07 1nby n ASN 343 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1nby s LYS 344 N -5.87 2.75 -0.05 3.52 1.02 -1.13 -4.98 119.74 115.01 1nby s LYS 344 Ca 0.15 -1.09 -0.14 0.00 0.02 0.00 0.00 55.97 54.91 1nby s LYS 344 Cb -0.07 -3.45 -0.05 0.00 -0.52 0.00 0.00 37.83 33.73 1nby s LYS 344 CO 0.77 -0.61 0.37 -0.51 -0.92 0.00 0.00 175.35 174.45 1nby s LEU 345 N 1.44 4.41 -0.09 3.17 1.43 -1.26 -0.73 118.68 127.05 1nby s LEU 345 Ca -0.00 0.82 0.01 0.00 -1.03 0.00 0.00 54.13 53.93 1nby s LEU 345 Cb -0.19 -2.50 0.02 0.00 0.03 0.00 0.00 46.19 43.55 1nby s LEU 345 CO 0.03 0.27 -0.10 -0.70 0.23 0.00 0.00 176.35 176.08 1nby s GLU 346 N -0.68 1.59 -0.66 1.70 2.12 -0.06 -5.00 118.70 117.71 1nby s GLU 346 Ca 0.22 -0.32 -0.25 0.00 0.36 0.00 0.00 54.97 54.97 1nby s GLU 346 Cb -0.15 -1.48 0.05 0.00 0.26 0.00 0.00 34.13 32.80 1nby s GLU 346 CO 0.11 -0.13 1.09 -0.47 -0.54 0.00 0.00 175.26 175.32 1nby s TYR 347 N 1.20 2.55 0.20 5.30 5.04 -1.26 -1.65 117.35 128.73 1nby s TYR 347 Ca -0.04 -0.18 -0.06 0.00 -2.44 0.00 0.00 57.07 54.35 1nby s TYR 347 Cb -0.14 -4.39 0.14 0.00 0.35 0.00 0.00 41.96 37.91 1nby s TYR 347 CO -0.03 -1.74 1.60 0.52 -1.34 0.00 0.00 175.55 174.57 1nby h MET 348 N 9.68 0.82 0.00 4.97 2.86 -1.37 -3.40 114.93 128.50 1nby h MET 348 Ca -0.28 -0.34 0.00 0.00 -2.06 0.00 0.00 59.70 57.02 1nby h MET 348 Cb 1.06 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.69 1nby h MET 348 CO 1.20 0.97 0.00 0.41 1.06 0.00 0.00 176.91 180.55 1nby n GLY 349 N -0.18 -0.54 3.30 8.32 0.00 -1.18 -0.91 105.19 114.01 1nby n GLY 349 Ca -0.00 -1.30 -0.10 0.00 0.00 0.00 0.00 46.02 44.61 1nby n GLY 349 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1nby s TYR 350 N -1.99 -0.13 -0.13 1.61 -0.85 -0.65 -1.90 117.35 113.31 1nby s TYR 350 Ca 0.00 -0.21 0.02 0.00 -0.52 0.00 0.00 57.07 56.37 1nby s TYR 350 Cb 0.00 0.20 0.01 0.00 0.38 0.00 0.00 41.96 42.55 1nby s TYR 350 CO 0.00 -0.68 -0.20 -1.50 -1.52 0.00 0.00 175.55 171.65 1nby s ILE 351 N -3.82 1.89 0.62 -3.49 2.07 -0.19 -1.38 121.20 116.91 1nby s ILE 351 Ca 0.04 -0.89 0.06 0.00 -1.41 0.00 0.00 60.65 58.45 1nby s ILE 351 Cb 0.02 -1.68 0.10 0.00 0.13 0.00 0.00 42.46 41.03 1nby s ILE 351 CO -0.11 0.52 0.85 -0.94 -1.91 0.00 0.00 174.94 173.35 1nby s SER 352 N 0.80 4.87 0.41 4.50 1.04 -0.50 -1.40 113.70 123.43 1nby s SER 352 Ca -0.08 -0.68 0.18 0.00 0.48 0.00 0.00 55.95 55.85 1nby s SER 352 Cb -0.16 0.17 1.10 0.00 0.10 0.00 0.00 66.02 67.24 1nby s SER 352 CO -0.00 -1.50 1.82 0.10 0.98 0.00 0.00 173.24 174.64 1nby h TYR 353 N -0.04 0.57 0.00 5.02 -0.00 -1.89 0.19 116.97 120.83 1nby h TYR 353 Ca -0.32 0.02 0.00 0.00 0.00 0.00 0.00 58.73 58.43 1nby h TYR 353 Cb 1.28 -0.17 0.00 0.00 0.00 0.00 0.00 36.73 37.84 1nby h TYR 353 CO 0.22 0.11 0.00 -1.13 -0.00 0.00 0.00 178.16 177.36 1nby n SER 354 N -4.54 0.00 0.00 0.10 3.41 -1.26 -4.86 113.62 106.47 1nby n SER 354 Ca 0.22 0.29 0.00 0.00 -0.26 0.00 0.00 58.87 59.12 1nby n SER 354 Cb 0.78 -0.42 0.00 0.00 -0.26 0.00 0.00 64.21 64.31 1nby n SER 354 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1nby n GLY 355 N 0.87 0.83 3.76 5.00 0.00 0.06 -5.05 105.19 110.66 1nby n GLY 355 Ca 0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 1nby n GLY 355 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1nby s SER 356 N -1.84 5.53 0.21 1.61 1.04 -1.26 -4.74 113.70 114.26 1nby s SER 356 Ca 0.00 2.40 0.09 0.00 0.48 0.00 0.00 55.95 58.92 1nby s SER 356 Cb 0.00 -2.60 -0.05 0.00 0.10 0.00 0.00 66.02 63.47 1nby s SER 356 CO 0.00 -1.36 -0.17 0.42 0.98 0.00 0.00 173.24 173.11 1nby s THR 357 N -1.56 1.95 -0.08 2.02 -4.23 -1.26 -1.41 115.64 111.07 1nby s THR 357 Ca 0.72 -2.18 0.01 0.00 -1.18 0.00 0.00 61.69 59.06 1nby s THR 357 Cb -0.31 -2.05 0.02 0.00 1.34 0.00 0.00 72.50 71.50 1nby s THR 357 CO 0.35 -0.47 -0.08 -0.31 -0.54 0.00 0.00 174.62 173.57 1nby s TYR 358 N -2.59 1.28 0.03 3.99 2.02 -0.48 -5.00 117.35 116.60 1nby s TYR 358 Ca 0.22 -0.52 0.08 0.00 -0.37 0.00 0.00 57.07 56.48 1nby s TYR 358 Cb -0.03 -1.03 -0.03 0.00 -0.40 0.00 0.00 41.96 40.47 1nby s TYR 358 CO 0.09 -0.34 -0.22 0.71 -1.57 0.00 0.00 175.55 174.22 1nby s TYR 359 N 1.14 2.46 0.18 2.71 2.02 -1.26 -1.63 117.35 122.97 1nby s TYR 359 Ca -0.06 -0.33 -0.32 0.00 -0.37 0.00 0.00 57.07 56.00 1nby s TYR 359 Cb -0.14 -1.45 -0.11 0.00 -0.40 0.00 0.00 41.96 39.86 1nby s TYR 359 CO -0.02 0.17 1.62 -1.58 -1.57 0.00 0.00 175.55 174.17 1nby s HIS 360 N -0.83 3.02 0.45 2.71 2.46 -0.08 -4.78 115.29 118.23 1nby s HIS 360 Ca 0.13 0.54 0.16 0.00 0.47 0.00 0.00 55.06 56.35 1nby s HIS 360 Cb -0.10 -3.99 1.08 0.00 -0.13 0.00 0.00 32.58 29.44 1nby s HIS 360 CO 0.03 -3.69 1.97 -1.00 -2.47 0.00 0.00 174.74 169.58 1nby h PRO 361 N 6.80 0.34 0.00 2.88 0.13 -1.94 0.16 132.00 140.37 1nby h PRO 361 Ca -0.43 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 64.67 1nby h PRO 361 Cb 1.20 -0.08 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 1nby h PRO 361 CO 0.93 0.23 -0.06 0.66 -0.23 0.00 0.00 178.00 179.52 1nby h SER 362 N 0.35 0.00 0.01 1.44 4.64 -1.99 -3.03 113.55 114.97 1nby h SER 362 Ca 0.28 0.00 -0.41 0.00 -0.47 0.00 0.00 61.79 61.19 1nby h SER 362 Cb 0.64 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.67 1nby h SER 362 CO -0.07 0.06 -2.38 0.18 -0.87 0.00 0.00 176.83 173.75 1nby n LEU 363 N -3.45 2.42 0.00 5.97 4.32 -0.35 -5.03 117.00 120.88 1nby n LEU 363 Ca -0.02 0.14 0.00 0.00 -0.02 0.00 0.00 56.01 56.11 1nby n LEU 363 Cb 0.20 -0.89 0.00 0.00 -1.62 0.00 0.00 43.42 41.11 1nby n LEU 363 CO 0.27 0.72 0.00 1.17 -1.22 0.00 0.00 177.39 178.34 1nby n LYS 364 N -3.80 0.00 0.00 3.23 3.00 0.42 -1.78 118.16 119.23 1nby n LYS 364 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 57.83 1nby n LYS 364 Cb 0.93 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.96 1nby n LYS 364 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1nby n SER 365 N 0.00 0.00 0.11 3.14 7.64 -1.26 -4.81 113.62 118.44 1nby n SER 365 Ca 0.00 0.00 0.12 0.00 1.01 0.00 0.00 58.87 60.00 1nby n SER 365 Cb 0.00 0.00 0.21 0.00 -1.01 0.00 0.00 64.21 63.41 1nby n SER 365 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1nby h ARG 366 N 0.00 0.00 -6.16 1.43 3.08 -1.70 -3.47 114.38 107.56 1nby h ARG 366 Ca 0.00 0.00 -0.66 0.00 0.07 0.00 0.00 59.98 59.39 1nby h ARG 366 Cb 0.00 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 29.93 1nby h ARG 366 CO 0.00 0.00 -0.62 -1.50 -1.07 0.00 0.00 179.97 176.78 1nby s ILE 367 N -3.19 4.33 -0.07 2.04 1.10 -1.26 -0.63 121.20 123.53 1nby s ILE 367 Ca 0.07 -0.66 -0.04 0.00 -0.51 0.00 0.00 60.65 59.52 1nby s ILE 367 Cb 0.11 -2.99 0.03 0.00 0.15 0.00 0.00 42.46 39.76 1nby s ILE 367 CO 0.69 0.28 0.16 -0.55 -2.11 0.00 0.00 174.94 173.40 1nby s SER 368 N -1.88 -0.14 -0.11 4.50 0.15 -0.27 -4.97 113.70 110.98 1nby s SER 368 Ca 0.23 0.32 0.03 0.00 0.70 0.00 0.00 55.95 57.24 1nby s SER 368 Cb -0.12 0.24 0.00 0.00 -1.71 0.00 0.00 66.02 64.43 1nby s SER 368 CO 0.15 -0.13 -0.23 -0.63 1.20 0.00 0.00 173.24 173.60 1nby s ILE 369 N 0.95 2.02 0.25 6.45 1.01 -1.26 -1.27 121.20 129.36 1nby s ILE 369 Ca -0.07 -0.98 0.01 0.00 0.00 0.00 0.00 60.65 59.60 1nby s ILE 369 Cb -0.09 -1.76 -0.05 0.00 0.01 0.00 0.00 42.46 40.57 1nby s ILE 369 CO -0.05 0.55 0.12 0.42 0.00 0.00 0.00 174.94 175.97 1nby s THR 370 N 0.51 0.40 0.04 2.92 -4.23 -1.07 -4.97 115.64 109.23 1nby s THR 370 Ca -0.15 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.34 1nby s THR 370 Cb -0.17 -2.59 -0.03 0.00 1.34 0.00 0.00 72.50 71.05 1nby s THR 370 CO 0.05 0.00 0.01 0.00 -0.54 0.00 0.00 174.62 174.14 1nby s ARG 371 N -4.02 0.55 -0.26 3.99 1.70 -1.26 -0.07 118.95 119.58 1nby s ARG 371 Ca 0.38 -0.96 0.01 0.00 -0.47 0.00 0.00 55.73 54.69 1nby s ARG 371 Cb 0.07 0.20 0.07 0.00 -0.57 0.00 0.00 34.95 34.72 1nby s ARG 371 CO 0.14 -0.11 -0.03 0.34 -1.08 0.00 0.00 175.30 174.56 1nby s ASP 372 N -2.40 4.03 0.53 -2.89 -1.08 -0.05 -4.98 116.67 109.83 1nby s ASP 372 Ca -0.01 -1.35 0.34 0.00 -0.52 0.00 0.00 52.55 51.00 1nby s ASP 372 Cb 0.02 -1.23 1.47 0.00 -1.46 0.00 0.00 42.92 41.71 1nby s ASP 372 CO -0.07 -0.27 2.00 0.71 0.52 0.00 0.00 175.17 178.07 1nby h THR 373 N 6.65 0.00 0.10 1.71 1.35 -1.98 -0.87 112.91 119.88 1nby h THR 373 Ca -0.16 -0.40 -0.26 0.00 -0.55 0.00 0.00 66.41 65.04 1nby h THR 373 Cb 1.06 1.36 0.00 0.00 -1.73 0.00 0.00 68.15 68.84 1nby h THR 373 CO 0.43 0.00 -1.18 0.28 -0.25 0.00 0.00 175.52 174.81 1nby h SER 374 N 0.00 0.42 0.08 5.36 0.02 -1.95 -3.30 113.55 114.18 1nby h SER 374 Ca 0.00 -0.43 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 1nby h SER 374 Cb 0.42 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.82 1nby h SER 374 CO 0.00 1.31 -0.70 0.29 -1.14 0.00 0.00 176.83 176.59 1nby n LYS 375 N -3.57 0.47 -3.47 3.45 5.02 -1.15 -4.98 118.16 113.93 1nby n LYS 375 Ca -0.08 -0.37 -0.18 0.00 -2.02 0.00 0.00 58.31 55.66 1nby n LYS 375 Cb 0.98 -1.49 0.08 0.00 -0.02 0.00 0.00 35.03 34.58 1nby n LYS 375 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1nby n ASN 376 N -0.94 -2.35 -4.18 4.39 4.05 -0.35 -4.85 115.26 111.03 1nby n ASN 376 Ca 0.07 -0.67 -0.11 0.00 0.45 0.00 0.00 54.58 54.31 1nby n ASN 376 Cb 0.38 -4.91 -0.10 0.00 1.23 0.00 0.00 39.78 36.38 1nby n ASN 376 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 1nby s GLN 377 N -5.40 0.92 0.09 1.20 -0.21 -1.09 -1.94 119.66 113.23 1nby s GLN 377 Ca 0.05 -1.41 0.01 0.00 0.02 0.00 0.00 55.36 54.03 1nby s GLN 377 Cb -0.01 -0.11 -0.04 0.00 1.00 0.00 0.00 33.01 33.85 1nby s GLN 377 CO 0.75 -0.11 -0.05 1.52 -2.12 0.00 0.00 175.29 175.28 1nby s TYR 378 N -3.73 0.78 0.18 0.91 1.13 -0.75 -0.87 117.35 115.00 1nby s TYR 378 Ca 0.17 -0.97 0.02 0.00 -1.41 0.00 0.00 57.07 54.89 1nby s TYR 378 Cb 0.06 -0.48 -0.05 0.00 -1.10 0.00 0.00 41.96 40.39 1nby s TYR 378 CO -0.01 -0.23 -0.01 0.71 -2.51 0.00 0.00 175.55 173.50 1nby s TYR 379 N -3.72 1.29 -0.04 -3.49 1.51 0.90 -0.62 117.35 113.18 1nby s TYR 379 Ca 0.11 -0.97 0.04 0.00 -1.01 0.00 0.00 57.07 55.24 1nby s TYR 379 Cb 0.06 -0.73 -0.00 0.00 -0.11 0.00 0.00 41.96 41.18 1nby s TYR 379 CO -0.06 -0.14 -0.17 -1.17 -1.11 0.00 0.00 175.55 172.89 1nby s LEU 380 N -3.20 1.91 -0.08 -1.29 2.96 -0.36 -2.60 118.68 116.02 1nby s LEU 380 Ca 0.24 -0.35 0.01 0.00 -0.22 0.00 0.00 54.13 53.81 1nby s LEU 380 Cb 0.06 -0.97 0.02 0.00 0.50 0.00 0.00 46.19 45.80 1nby s LEU 380 CO 0.05 0.15 -0.08 -1.58 -1.32 0.00 0.00 176.35 173.57 1nby s GLN 381 N 0.06 1.36 -0.20 1.98 0.74 -0.40 -1.54 119.66 121.67 1nby s GLN 381 Ca -0.04 -0.25 -0.01 0.00 0.05 0.00 0.00 55.36 55.11 1nby s GLN 381 Cb -0.12 -1.31 0.05 0.00 1.10 0.00 0.00 33.01 32.74 1nby s GLN 381 CO 0.02 -0.12 -0.02 -1.17 -0.55 0.00 0.00 175.29 173.45 1nby s LEU 382 N 1.18 1.71 0.71 3.68 2.96 -0.38 -1.11 118.68 127.43 1nby s LEU 382 Ca -0.06 -0.87 -0.08 0.00 -0.22 0.00 0.00 54.13 52.90 1nby s LEU 382 Cb -0.14 -0.86 0.05 0.00 0.50 0.00 0.00 46.19 45.75 1nby s LEU 382 CO -0.02 -0.25 1.05 0.20 -1.32 0.00 0.00 176.35 176.01 1nby s ASN 383 N 1.66 4.91 -1.39 3.68 0.01 0.20 -0.98 114.94 123.03 1nby s ASN 383 Ca -0.02 0.65 -0.17 0.00 -0.71 0.00 0.00 52.86 52.61 1nby s ASN 383 Cb -0.17 -1.32 0.02 0.00 0.41 0.00 0.00 41.25 40.19 1nby s ASN 383 CO -0.07 -1.57 0.33 -1.20 -1.51 0.00 0.00 177.10 173.08 1nby n SER 384 N -2.98 -1.47 -4.79 -1.22 7.64 -1.15 -4.90 113.62 104.74 1nby n SER 384 Ca 0.07 -1.29 -0.31 0.00 1.01 0.00 0.00 58.87 58.35 1nby n SER 384 Cb 0.60 -1.62 0.08 0.00 -1.01 0.00 0.00 64.21 62.25 1nby n SER 384 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1nby s VAL 385 N -3.97 3.55 0.30 0.44 -7.23 -0.87 -4.58 120.40 108.03 1nby s VAL 385 Ca 0.24 0.50 0.03 0.00 -1.81 0.00 0.00 61.98 60.94 1nby s VAL 385 Cb -0.13 -3.14 -0.04 0.00 0.56 0.00 0.00 36.38 33.62 1nby s VAL 385 CO 0.99 -0.66 0.14 0.42 -0.31 0.00 0.00 175.10 175.68 1nby s THR 386 N -3.01 0.40 0.40 5.32 -4.23 -1.26 -0.10 115.64 113.16 1nby s THR 386 Ca 0.60 -2.00 0.19 0.00 -1.18 0.00 0.00 61.69 59.30 1nby s THR 386 Cb -0.15 -2.54 0.39 0.00 1.34 0.00 0.00 72.50 71.54 1nby s THR 386 CO 0.55 0.00 1.77 0.74 -0.54 0.00 0.00 174.62 177.14 1nby h THR 387 N 2.24 0.52 0.00 3.99 2.02 -1.98 0.16 112.91 119.86 1nby h THR 387 Ca -0.35 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 66.70 1nby h THR 387 Cb 1.25 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 67.76 1nby h THR 387 CO 0.55 0.07 0.00 -0.62 0.37 0.00 0.00 175.52 175.88 1nby n GLU 388 N -4.62 0.07 -0.07 6.66 4.71 -1.26 -1.36 120.64 124.77 1nby n GLU 388 Ca 0.25 0.27 0.12 0.00 -0.01 0.00 0.00 57.16 57.80 1nby n GLU 388 Cb 0.89 -1.50 0.35 0.00 -1.01 0.00 0.00 31.44 30.17 1nby n GLU 388 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1nby n ASP 389 N -1.36 2.10 -4.69 1.62 8.00 0.56 -4.88 116.55 117.90 1nby n ASP 389 Ca 0.03 -1.74 -0.42 0.00 0.71 0.00 0.00 54.79 53.36 1nby n ASP 389 Cb 0.06 -0.09 -0.03 0.00 -0.02 0.00 0.00 41.12 41.04 1nby n ASP 389 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1nby s THR 390 N -1.82 3.39 0.07 -3.53 2.01 -0.46 -4.81 115.64 110.48 1nby s THR 390 Ca 0.34 0.82 -0.26 0.00 0.31 0.00 0.00 61.69 62.90 1nby s THR 390 Cb 0.20 -3.53 0.09 0.00 0.01 0.00 0.00 72.50 69.27 1nby s THR 390 CO 0.29 0.00 1.18 0.00 -0.69 0.00 0.00 174.62 175.41 1nby s ALA 391 N 2.42 -2.10 -0.22 7.40 0.00 -0.87 -4.68 121.76 123.71 1nby s ALA 391 Ca 0.68 -0.15 -0.09 0.00 0.00 0.00 0.00 51.96 52.40 1nby s ALA 391 Cb -0.35 0.85 -0.04 0.00 0.00 0.00 0.00 23.12 23.57 1nby s ALA 391 CO 0.29 -1.12 0.11 0.99 0.00 0.00 0.00 175.76 176.04 1nby s THR 392 N -2.05 5.02 -0.15 0.00 2.01 -0.65 -1.41 115.64 118.40 1nby s THR 392 Ca 0.27 0.06 -0.05 0.00 0.31 0.00 0.00 61.69 62.27 1nby s THR 392 Cb -0.02 -3.32 -0.04 0.00 0.01 0.00 0.00 72.50 69.14 1nby s THR 392 CO 0.02 0.38 0.03 -0.31 -0.69 0.00 0.00 174.62 174.05 1nby s TYR 393 N 0.91 3.19 0.06 4.92 1.51 0.70 -0.47 117.35 128.17 1nby s TYR 393 Ca 0.06 0.01 0.08 0.00 -1.01 0.00 0.00 57.07 56.21 1nby s TYR 393 Cb -0.13 -1.99 -0.03 0.00 -0.11 0.00 0.00 41.96 39.70 1nby s TYR 393 CO 0.03 0.18 -0.22 0.71 -1.11 0.00 0.00 175.55 175.14 1nby s TYR 394 N 0.09 1.94 0.02 2.71 2.02 0.67 -1.00 117.35 123.78 1nby s TYR 394 Ca 0.03 -0.39 0.03 0.00 -0.37 0.00 0.00 57.07 56.37 1nby s TYR 394 Cb -0.13 -1.13 -0.04 0.00 -0.40 0.00 0.00 41.96 40.27 1nby s TYR 394 CO 0.01 0.14 -0.03 0.00 -1.57 0.00 0.00 175.55 174.11 1nby s ALA 396 N -1.09 -1.13 0.58 0.00 0.00 -0.72 -1.12 121.76 118.28 1nby s ALA 396 Ca 0.19 0.28 -0.18 0.00 0.00 0.00 0.00 51.96 52.25 1nby s ALA 396 Cb -0.11 0.54 -0.04 0.00 0.00 0.00 0.00 23.12 23.51 1nby s ALA 396 CO 0.10 -0.57 1.12 -1.54 0.00 0.00 0.00 175.76 174.87 1nby s SER 397 N -2.37 5.51 0.41 0.00 1.04 -0.24 -0.17 113.70 117.89 1nby s SER 397 Ca -0.02 2.11 0.08 0.00 0.48 0.00 0.00 55.95 58.61 1nby s SER 397 Cb 0.00 -2.57 0.88 0.00 0.10 0.00 0.00 66.02 64.43 1nby s SER 397 CO -0.07 -1.36 2.02 -0.25 0.98 0.00 0.00 173.24 174.57 1nby h TRP 398 N 0.79 0.54 0.00 5.02 7.01 -1.54 0.23 115.95 128.00 1nby h TRP 398 Ca -0.49 0.01 0.00 0.00 2.11 0.00 0.00 58.89 60.52 1nby h TRP 398 Cb 1.26 -0.18 0.00 0.00 -2.10 0.00 0.00 29.16 28.13 1nby h TRP 398 CO 0.52 0.31 0.00 0.41 -2.79 0.00 0.00 178.44 176.90 1nby n GLY 399 N -1.48 -1.22 3.09 2.65 0.00 -1.26 -4.88 105.19 102.09 1nby n GLY 399 Ca 0.06 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1nby n GLY 399 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nby n GLY 400 N 0.29 0.81 0.11 -0.02 0.00 0.07 -4.88 105.19 101.57 1nby n GLY 400 Ca 0.04 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.18 1nby n GLY 400 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1nby n ASP 401 N -0.01 0.76 -3.86 1.61 3.85 -1.26 -4.75 116.55 112.89 1nby n ASP 401 Ca 0.00 0.59 -0.16 0.00 -0.71 0.00 0.00 54.79 54.51 1nby n ASP 401 Cb 0.01 -0.79 -0.15 0.00 -1.35 0.00 0.00 41.12 38.84 1nby n ASP 401 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 1nby s VAL 402 N -3.14 0.19 0.04 2.12 0.11 -1.26 -5.03 120.40 113.43 1nby s VAL 402 Ca 0.10 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.18 1nby s VAL 402 Cb 0.12 -0.23 -0.02 0.00 -1.53 0.00 0.00 36.38 34.72 1nby s VAL 402 CO 0.56 0.11 -0.10 0.26 -3.33 0.00 0.00 175.10 172.59 1nby s TRP 403 N 0.57 0.88 0.87 1.54 0.52 -1.26 -1.08 118.94 120.98 1nby s TRP 403 Ca -0.06 -0.37 -0.13 0.00 0.02 0.00 0.00 56.10 55.56 1nby s TRP 403 Cb -0.08 -0.52 0.12 0.00 -1.15 0.00 0.00 33.47 31.83 1nby s TRP 403 CO -0.01 -0.01 1.21 0.20 0.02 0.00 0.00 176.95 178.36 1nby s GLY 404 N -1.19 1.64 0.36 0.98 0.00 -0.28 -4.57 107.32 104.26 1nby s GLY 404 Ca -0.03 -0.79 0.27 0.00 0.00 0.00 0.00 44.72 44.17 1nby s GLY 404 CO 0.01 -0.21 1.80 0.00 0.00 0.00 0.00 173.10 174.70 1nby h ALA 405 N -1.30 1.00 0.00 3.20 0.00 -1.90 -3.45 119.26 116.80 1nby h ALA 405 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1nby h ALA 405 Cb 1.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1nby h ALA 405 CO 0.57 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.23 1nby n GLY 406 N 0.33 -0.17 2.87 0.00 0.00 -1.26 -5.04 105.19 101.91 1nby n GLY 406 Ca 0.02 -1.52 -0.13 0.00 0.00 0.00 0.00 46.02 44.40 1nby n GLY 406 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1nby s THR 407 N -2.81 -0.02 0.09 2.61 -1.32 -0.17 -4.92 115.64 109.10 1nby s THR 407 Ca 0.00 0.08 -0.27 0.00 -1.21 0.00 0.00 61.69 60.29 1nby s THR 407 Cb 0.00 -0.08 -0.06 0.00 -1.51 0.00 0.00 72.50 70.85 1nby s THR 407 CO 0.00 0.03 0.83 -0.89 -2.21 0.00 0.00 174.62 172.39 1nby s THR 408 N 0.43 4.59 -0.10 5.08 2.01 -1.26 -0.21 115.64 126.17 1nby s THR 408 Ca -0.03 1.79 0.00 0.00 0.31 0.00 0.00 61.69 63.76 1nby s THR 408 Cb -0.05 -4.19 0.02 0.00 0.01 0.00 0.00 72.50 68.29 1nby s THR 408 CO -0.01 0.37 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.50 1nby s VAL 409 N -0.21 1.14 -0.10 3.82 1.01 -0.50 -4.59 120.40 120.97 1nby s VAL 409 Ca 0.41 -0.40 -0.02 0.00 0.00 0.00 0.00 61.98 61.97 1nby s VAL 409 Cb -0.22 -1.11 -0.03 0.00 0.00 0.00 0.00 36.38 35.02 1nby s VAL 409 CO 0.26 0.38 -0.02 -0.89 0.00 0.00 0.00 175.10 174.83 1nby s THR 410 N 1.37 4.10 -0.25 3.92 2.01 -0.13 -2.04 115.64 124.61 1nby s THR 410 Ca -0.01 -0.32 -0.07 0.00 0.31 0.00 0.00 61.69 61.61 1nby s THR 410 Cb -0.14 -2.74 -0.02 0.00 0.01 0.00 0.00 72.50 69.62 1nby s THR 410 CO -0.05 0.57 0.06 -0.69 -0.69 0.00 0.00 174.62 173.82 1nby s VAL 411 N -0.51 4.13 -0.11 3.82 1.01 -1.26 -1.04 120.40 126.44 1nby s VAL 411 Ca 0.08 -0.31 -0.30 0.00 0.00 0.00 0.00 61.98 61.45 1nby s VAL 411 Cb -0.12 -2.96 0.10 0.00 0.00 0.00 0.00 36.38 33.40 1nby s VAL 411 CO 0.02 0.30 0.84 -0.55 0.00 0.00 0.00 175.10 175.71 1nby s SER 412 N 1.58 -0.52 0.00 3.32 0.15 -0.48 -4.46 113.70 113.29 1nby s SER 412 Ca 0.06 0.57 0.24 0.00 0.70 0.00 0.00 55.95 57.52 1nby s SER 412 Cb -0.15 0.44 0.42 0.00 -1.71 0.00 0.00 66.02 65.01 1nby s SER 412 CO 0.03 -0.47 1.39 -1.54 1.20 0.00 0.00 173.24 173.84 1nby n SER 413 N 0.85 2.94 -4.76 5.45 3.41 -1.26 -4.16 113.62 116.09 1nby n SER 413 Ca -0.15 -1.93 -0.36 0.00 -0.26 0.00 0.00 58.87 56.18 1nby n SER 413 Cb 0.57 -0.11 0.03 0.00 -0.26 0.00 0.00 64.21 64.44 1nby n SER 413 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nby s ALA 414 N -1.77 2.59 0.19 7.33 0.00 -1.26 -5.04 121.76 123.80 1nby s ALA 414 Ca 0.34 0.99 0.04 0.00 0.00 0.00 0.00 51.96 53.33 1nby s ALA 414 Cb 0.21 -3.44 -0.04 0.00 0.00 0.00 0.00 23.12 19.86 1nby s ALA 414 CO 0.31 -1.08 0.24 0.15 0.00 0.00 0.00 175.76 175.37 1nby s LYS 415 N -3.28 3.19 0.06 0.00 1.02 -1.26 -5.03 119.74 114.44 1nby s LYS 415 Ca 0.76 -0.78 -0.36 0.00 0.02 0.00 0.00 55.97 55.61 1nby s LYS 415 Cb -0.30 -2.79 -0.16 0.00 -0.52 0.00 0.00 37.83 34.06 1nby s LYS 415 CO 0.32 0.47 1.44 2.41 -0.92 0.00 0.00 175.35 179.08 1nby n THR 416 N -0.74 0.04 -3.70 2.17 -1.04 -1.26 -4.71 114.28 105.05 1nby n THR 416 Ca -0.08 -0.01 -0.16 0.00 -2.04 0.00 0.00 64.05 61.76 1nby n THR 416 Cb 0.55 -1.03 -0.16 0.00 -1.82 0.00 0.00 70.33 67.88 1nby n THR 416 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1nby s THR 417 N 0.94 -0.15 0.52 12.58 2.01 0.90 -4.94 115.64 127.52 1nby s THR 417 Ca 0.85 0.30 -0.20 0.00 0.31 0.00 0.00 61.69 62.95 1nby s THR 417 Cb -0.90 -0.22 -0.06 0.00 0.01 0.00 0.00 72.50 71.32 1nby s THR 417 CO 0.47 0.13 1.14 0.00 -0.69 0.00 0.00 174.62 175.66 1nby s ALA 418 N 1.80 2.76 0.56 7.40 0.00 -1.26 -1.16 121.76 131.85 1nby s ALA 418 Ca -0.02 0.85 -0.13 0.00 0.00 0.00 0.00 51.96 52.66 1nby s ALA 418 Cb -0.12 -3.36 -0.06 0.00 0.00 0.00 0.00 23.12 19.58 1nby s ALA 418 CO -0.05 -0.74 0.99 -1.25 0.00 0.00 0.00 175.76 174.71 1nby s PRO 419 N -3.16 3.76 -0.13 0.00 0.04 -1.26 -4.49 135.00 129.75 1nby s PRO 419 Ca 0.71 0.80 -0.09 0.00 0.04 0.00 0.00 61.00 62.46 1nby s PRO 419 Cb -0.25 -2.13 -0.04 0.00 0.04 0.00 0.00 34.50 32.12 1nby s PRO 419 CO 0.28 -0.40 0.16 -1.12 0.04 0.00 0.00 177.00 175.97 1nby s SER 420 N -3.64 6.38 -0.17 6.66 0.01 -0.28 -4.93 113.70 117.73 1nby s SER 420 Ca 0.56 0.45 0.01 0.00 1.31 0.00 0.00 55.95 58.28 1nby s SER 420 Cb -0.10 -2.09 0.01 0.00 0.21 0.00 0.00 66.02 64.05 1nby s SER 420 CO 0.43 0.33 -0.20 -0.69 0.41 0.00 0.00 173.24 173.52 1nby s VAL 421 N -0.61 2.13 -0.04 3.43 1.01 -1.26 -0.90 120.40 124.15 1nby s VAL 421 Ca 0.14 -0.93 0.05 0.00 0.00 0.00 0.00 61.98 61.23 1nby s VAL 421 Cb -0.12 -1.88 -0.02 0.00 0.00 0.00 0.00 36.38 34.36 1nby s VAL 421 CO 0.03 0.54 -0.18 -0.31 0.00 0.00 0.00 175.10 175.18 1nby s TYR 422 N 1.11 2.60 0.28 5.22 2.02 0.56 -4.97 117.35 124.17 1nby s TYR 422 Ca 0.00 -0.27 -0.27 0.00 -0.37 0.00 0.00 57.07 56.16 1nby s TYR 422 Cb -0.14 -1.60 -0.09 0.00 -0.40 0.00 0.00 41.96 39.72 1nby s TYR 422 CO -0.08 0.10 0.93 -1.25 -1.57 0.00 0.00 175.55 173.67 1nby s PRO 423 N -0.64 4.66 -0.31 -1.71 0.04 -1.26 -0.97 135.00 134.81 1nby s PRO 423 Ca 0.10 1.35 -0.01 0.00 0.04 0.00 0.00 61.00 62.48 1nby s PRO 423 Cb -0.11 -2.98 0.06 0.00 0.04 0.00 0.00 34.50 31.51 1nby s PRO 423 CO 0.00 0.38 0.01 -0.51 0.04 0.00 0.00 177.00 176.92 1nby s LEU 424 N -1.73 4.02 0.12 -3.56 1.43 0.48 -4.88 118.68 114.56 1nby s LEU 424 Ca 0.46 -1.39 0.06 0.00 -1.03 0.00 0.00 54.13 52.23 1nby s LEU 424 Cb -0.21 -1.70 -0.04 0.00 0.03 0.00 0.00 46.19 44.27 1nby s LEU 424 CO 0.26 -0.29 -0.14 0.00 0.23 0.00 0.00 176.35 176.42 1nby s ALA 425 N 1.21 1.49 0.46 4.21 0.00 -1.26 -0.84 121.76 127.03 1nby s ALA 425 Ca -0.04 -1.27 -0.22 0.00 0.00 0.00 0.00 51.96 50.43 1nby s ALA 425 Cb -0.20 -0.08 -0.10 0.00 0.00 0.00 0.00 23.12 22.74 1nby s ALA 425 CO -0.02 0.12 0.91 -0.35 0.00 0.00 0.00 175.76 176.41 1nby n PRO 426 N 0.60 1.11 -1.65 0.00 -0.04 -1.26 -4.79 135.00 128.97 1nby n PRO 426 Ca -0.16 0.41 -0.53 0.00 -0.04 0.00 0.00 63.50 63.18 1nby n PRO 426 Cb 0.57 -1.97 -0.06 0.00 -0.04 0.00 0.00 33.50 31.99 1nby n PRO 426 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1nby n VAL 427 N -0.85 0.39 -4.12 0.52 0.31 -1.26 -1.47 118.33 111.85 1nby n VAL 427 Ca 0.11 -0.11 -0.29 0.00 -0.01 0.00 0.00 64.34 64.04 1nby n VAL 427 Cb 0.41 -1.56 -0.05 0.00 -0.91 0.00 0.00 33.84 31.73 1nby n VAL 427 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1nby n GLY 429 N -2.14 0.30 3.59 0.00 0.00 -0.54 -4.93 105.19 101.47 1nby n GLY 429 Ca -0.28 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.31 1nby n GLY 429 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1nby s ASP 430 N -2.03 6.62 -0.31 1.61 1.11 -1.01 -5.00 116.67 117.67 1nby s ASP 430 Ca 0.00 0.43 -0.21 0.00 0.18 0.00 0.00 52.55 52.95 1nby s ASP 430 Cb 0.00 -2.52 -0.01 0.00 1.07 0.00 0.00 42.92 41.46 1nby s ASP 430 CO 0.00 -1.16 0.66 -0.89 1.18 0.00 0.00 175.17 174.96 1nby s THR 431 N 4.19 4.91 0.00 -1.27 2.01 -1.26 -4.77 115.64 119.45 1nby s THR 431 Ca 0.45 0.92 0.00 0.00 0.31 0.00 0.00 61.69 63.37 1nby s THR 431 Cb -0.08 -4.03 0.00 0.00 0.01 0.00 0.00 72.50 68.39 1nby s THR 431 CO 0.29 -0.17 0.00 0.41 -0.69 0.00 0.00 174.62 174.46 1nby n THR 432 N 5.43 0.00 0.00 -0.82 -1.04 -1.26 -5.05 114.28 111.54 1nby n THR 432 Ca -0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1nby n THR 432 Cb 0.49 -0.01 0.00 0.00 -1.82 0.00 0.00 70.33 68.99 1nby n THR 432 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1nby n GLY 433 N 4.92 -3.11 0.04 3.41 0.00 -1.26 -4.86 105.19 104.33 1nby n GLY 433 Ca 0.00 -0.94 0.13 0.00 0.00 0.00 0.00 46.02 45.21 1nby n GLY 433 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1nby n SER 434 N 0.00 0.45 -4.27 1.61 3.41 -1.26 -4.76 113.62 108.80 1nby n SER 434 Ca 0.00 0.28 -0.17 0.00 -0.26 0.00 0.00 58.87 58.72 1nby n SER 434 Cb 0.00 -0.28 -0.10 0.00 -0.26 0.00 0.00 64.21 63.57 1nby n SER 434 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1nby s SER 435 N -3.62 2.07 -0.01 4.04 1.04 -1.26 0.10 113.70 116.06 1nby s SER 435 Ca 0.11 -0.94 0.02 0.00 0.48 0.00 0.00 55.95 55.63 1nby s SER 435 Cb 0.16 -0.06 -0.00 0.00 0.10 0.00 0.00 66.02 66.21 1nby s SER 435 CO 0.62 -0.22 -0.08 0.54 0.98 0.00 0.00 173.24 175.09 1nby s VAL 436 N -2.78 0.63 -0.12 5.02 0.11 0.19 -4.65 120.40 118.80 1nby s VAL 436 Ca 0.15 -0.33 -0.01 0.00 -2.93 0.00 0.00 61.98 58.87 1nby s VAL 436 Cb -0.01 -0.54 -0.02 0.00 -1.53 0.00 0.00 36.38 34.28 1nby s VAL 436 CO 0.03 0.19 -0.10 -0.89 -3.33 0.00 0.00 175.10 171.00 1nby s THR 437 N -0.09 3.35 0.42 5.04 2.01 -1.26 -1.40 115.64 123.71 1nby s THR 437 Ca 0.02 -0.57 0.04 0.00 0.31 0.00 0.00 61.69 61.49 1nby s THR 437 Cb -0.04 -2.41 -0.05 0.00 0.01 0.00 0.00 72.50 70.01 1nby s THR 437 CO -0.00 0.53 0.04 -0.76 -0.69 0.00 0.00 174.62 173.74 1nby s LEU 438 N 0.12 2.39 0.37 4.42 1.43 -0.11 -4.66 118.68 122.64 1nby s LEU 438 Ca -0.04 -1.51 -0.13 0.00 -1.03 0.00 0.00 54.13 51.42 1nby s LEU 438 Cb -0.14 -0.59 0.04 0.00 0.03 0.00 0.00 46.19 45.52 1nby s LEU 438 CO 0.04 -0.69 0.71 -0.83 0.23 0.00 0.00 176.35 175.80 1nby s GLY 439 N -3.69 0.64 -0.06 -3.19 0.00 -0.02 -0.96 107.32 100.03 1nby s GLY 439 Ca 0.24 -0.93 -0.02 0.00 0.00 0.00 0.00 44.72 44.01 1nby s GLY 439 CO 0.12 -0.48 0.12 0.00 0.00 0.00 0.00 173.10 172.87 1nby s LEU 441 N 1.44 3.34 -0.30 0.00 2.96 -0.15 -1.32 118.68 124.65 1nby s LEU 441 Ca -0.06 -0.20 -0.04 0.00 -0.22 0.00 0.00 54.13 53.61 1nby s LEU 441 Cb -0.12 -1.87 0.03 0.00 0.50 0.00 0.00 46.19 44.73 1nby s LEU 441 CO -0.05 0.02 0.04 -0.69 -1.32 0.00 0.00 176.35 174.34 1nby s VAL 442 N 1.27 3.42 0.03 1.68 1.01 0.18 -0.32 120.40 127.67 1nby s VAL 442 Ca 0.04 -1.07 0.05 0.00 0.00 0.00 0.00 61.98 61.00 1nby s VAL 442 Cb -0.15 -2.87 -0.02 0.00 0.00 0.00 0.00 36.38 33.35 1nby s VAL 442 CO 0.02 -0.02 -0.15 -0.75 0.00 0.00 0.00 175.10 174.20 1nby s LYS 443 N 1.37 1.05 -0.41 2.72 2.20 -0.08 -0.35 119.74 126.23 1nby s LYS 443 Ca -0.01 -0.74 -0.01 0.00 -0.36 0.00 0.00 55.97 54.84 1nby s LYS 443 Cb -0.18 -1.07 0.00 0.00 -1.51 0.00 0.00 37.83 35.07 1nby s LYS 443 CO 0.00 0.27 0.19 0.41 -0.36 0.00 0.00 175.35 175.87 1nby n GLY 444 N 2.05 0.39 3.73 5.54 0.00 -0.65 -1.13 105.19 115.12 1nby n GLY 444 Ca -0.17 -0.52 -0.22 0.00 0.00 0.00 0.00 46.02 45.11 1nby n GLY 444 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1nby s TYR 445 N -2.77 2.86 -0.28 1.61 1.13 -0.96 -4.52 117.35 114.42 1nby s TYR 445 Ca 0.10 -0.20 -0.21 0.00 -1.41 0.00 0.00 57.07 55.35 1nby s TYR 445 Cb -0.04 -1.35 0.09 0.00 -1.10 0.00 0.00 41.96 39.56 1nby s TYR 445 CO 0.12 0.53 0.79 0.12 -2.51 0.00 0.00 175.55 174.61 1nby s PHE 446 N -2.26 -0.81 0.34 -3.49 5.36 -0.31 -0.74 117.98 116.06 1nby s PHE 446 Ca 0.33 1.78 0.01 0.00 -0.96 0.00 0.00 56.93 58.08 1nby s PHE 446 Cb -0.07 0.42 0.07 0.00 -0.34 0.00 0.00 43.02 43.10 1nby s PHE 446 CO 0.22 -0.40 0.46 -0.35 -1.46 0.00 0.00 175.22 173.70 1nby n PRO 447 N 3.32 0.34 -1.50 10.12 -0.04 -1.26 -0.07 135.00 145.91 1nby n PRO 447 Ca -0.16 -1.31 -0.31 0.00 -0.04 0.00 0.00 63.50 61.68 1nby n PRO 447 Cb 0.57 -0.29 0.07 0.00 -0.04 0.00 0.00 33.50 33.81 1nby n PRO 447 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1nby s GLU 448 N -3.61 2.55 0.51 0.54 2.02 -1.26 -4.79 118.70 114.66 1nby s GLU 448 Ca 0.31 0.90 0.05 0.00 0.02 0.00 0.00 54.97 56.25 1nby s GLU 448 Cb -0.02 -1.95 0.05 0.00 0.10 0.00 0.00 34.13 32.31 1nby s GLU 448 CO 0.20 -1.36 0.39 -0.35 0.02 0.00 0.00 175.26 174.17 1nby n PRO 449 N -3.30 0.73 -4.24 0.39 -0.04 -1.26 -4.97 135.00 122.31 1nby n PRO 449 Ca 0.08 -3.20 -0.15 0.00 -0.04 0.00 0.00 63.50 60.18 1nby n PRO 449 Cb 0.54 0.33 -0.10 0.00 -0.04 0.00 0.00 33.50 34.23 1nby n PRO 449 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1nby s VAL 450 N -2.55 1.17 -0.06 0.52 -7.23 -1.26 -4.39 120.40 106.60 1nby s VAL 450 Ca 0.30 -1.95 0.06 0.00 -1.81 0.00 0.00 61.98 58.57 1nby s VAL 450 Cb -0.02 -1.73 -0.01 0.00 0.56 0.00 0.00 36.38 35.17 1nby s VAL 450 CO 0.19 -0.67 -0.25 0.42 -0.31 0.00 0.00 175.10 174.49 1nby s THR 451 N -3.02 2.04 -0.06 5.32 -4.23 -0.45 -4.97 115.64 110.27 1nby s THR 451 Ca 0.14 -1.05 0.04 0.00 -1.18 0.00 0.00 61.69 59.64 1nby s THR 451 Cb 0.01 -1.73 0.00 0.00 1.34 0.00 0.00 72.50 72.12 1nby s THR 451 CO 0.01 0.56 -0.18 -0.22 -0.54 0.00 0.00 174.62 174.25 1nby s LEU 452 N -0.07 1.91 0.25 4.79 0.20 -1.26 -1.17 118.68 123.33 1nby s LEU 452 Ca -0.06 -0.40 0.03 0.00 0.69 0.00 0.00 54.13 54.39 1nby s LEU 452 Cb -0.14 -1.07 -0.05 0.00 -0.43 0.00 0.00 46.19 44.49 1nby s LEU 452 CO 0.05 0.14 0.04 0.42 -0.29 0.00 0.00 176.35 176.71 1nby s THR 453 N 0.20 0.87 -0.09 3.68 -4.23 -0.46 -4.98 115.64 110.63 1nby s THR 453 Ca -0.09 -2.01 0.04 0.00 -1.18 0.00 0.00 61.69 58.45 1nby s THR 453 Cb -0.14 -2.51 0.00 0.00 1.34 0.00 0.00 72.50 71.19 1nby s THR 453 CO 0.04 -0.17 -0.22 0.26 -0.54 0.00 0.00 174.62 174.00 1nby s TRP 454 N -3.53 2.33 -1.45 3.99 0.52 -1.26 -0.88 118.94 118.65 1nby s TRP 454 Ca 0.33 -0.94 -0.04 0.00 0.02 0.00 0.00 56.10 55.47 1nby s TRP 454 Cb 0.07 -1.57 0.03 0.00 -1.15 0.00 0.00 33.47 30.85 1nby s TRP 454 CO 0.11 -0.39 0.56 0.09 0.02 0.00 0.00 176.95 177.35 1nby n ASN 455 N 3.58 -1.30 -1.96 2.95 3.02 0.05 -0.61 115.26 120.97 1nby n ASN 455 Ca -0.20 -0.96 -0.14 0.00 -0.03 0.00 0.00 54.58 53.25 1nby n ASN 455 Cb 0.53 -3.21 -0.03 0.00 -0.61 0.00 0.00 39.78 36.46 1nby n ASN 455 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1nby n SER 456 N -2.93 -3.96 0.00 6.41 7.64 -1.26 -0.82 113.62 118.69 1nby n SER 456 Ca -0.22 0.24 0.00 0.00 1.01 0.00 0.00 58.87 59.91 1nby n SER 456 Cb 0.64 -3.49 0.00 0.00 -1.01 0.00 0.00 64.21 60.35 1nby n SER 456 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1nby n GLY 457 N -0.57 0.95 0.00 0.23 0.00 0.22 -4.94 105.19 101.07 1nby n GLY 457 Ca -0.15 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.99 1nby n GLY 457 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1nby n SER 458 N 0.00 0.00 -3.94 1.61 7.64 -0.00 -4.21 113.62 114.72 1nby n SER 458 Ca 0.00 0.36 -0.31 0.00 1.01 0.00 0.00 58.87 59.93 1nby n SER 458 Cb 0.00 -0.45 -0.15 0.00 -1.01 0.00 0.00 64.21 62.60 1nby n SER 458 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1nby s LEU 459 N -2.89 3.68 0.00 -3.43 2.96 -1.05 -4.94 118.68 113.00 1nby s LEU 459 Ca 0.15 -1.81 0.00 0.00 -0.22 0.00 0.00 54.13 52.25 1nby s LEU 459 Cb 0.17 -1.36 0.00 0.00 0.50 0.00 0.00 46.19 45.50 1nby s LEU 459 CO 0.44 -0.35 0.00 -1.54 -1.32 0.00 0.00 176.35 173.58 1nby n SER 460 N 4.48 3.77 -4.88 3.68 3.41 -1.26 -4.14 113.62 118.68 1nby n SER 460 Ca -0.01 -0.02 -0.30 0.00 -0.26 0.00 0.00 58.87 58.28 1nby n SER 460 Cb 0.42 0.79 -0.02 0.00 -0.26 0.00 0.00 64.21 65.14 1nby n SER 460 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1nby s SER 461 N -1.54 6.44 -1.49 4.04 0.15 -1.26 -4.18 113.70 115.86 1nby s SER 461 Ca 0.00 1.16 0.00 0.00 0.70 0.00 0.00 55.95 57.81 1nby s SER 461 Cb 0.00 -2.34 0.00 0.00 -1.71 0.00 0.00 66.02 61.97 1nby s SER 461 CO 0.00 -0.51 0.00 0.61 1.20 0.00 0.00 173.24 174.54 1nby n GLY 462 N -1.72 -0.33 3.61 9.45 0.00 -1.26 -4.64 105.19 110.29 1nby n GLY 462 Ca 0.03 -0.16 -0.33 0.00 0.00 0.00 0.00 46.02 45.56 1nby n GLY 462 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nby s VAL 463 N -2.86 3.80 -0.18 1.61 1.01 -1.26 -1.16 120.40 121.35 1nby s VAL 463 Ca 0.00 -0.56 -0.02 0.00 0.00 0.00 0.00 61.98 61.41 1nby s VAL 463 Cb 0.00 -2.60 0.05 0.00 0.00 0.00 0.00 36.38 33.83 1nby s VAL 463 CO 0.00 0.52 0.00 -1.00 0.00 0.00 0.00 175.10 174.62 1nby s HIS 464 N -0.90 1.31 -0.21 5.22 3.76 -0.47 -5.00 115.29 119.00 1nby s HIS 464 Ca 0.15 -0.96 -0.04 0.00 -0.15 0.00 0.00 55.06 54.06 1nby s HIS 464 Cb -0.11 -1.14 -0.01 0.00 1.11 0.00 0.00 32.58 32.43 1nby s HIS 464 CO 0.04 -0.61 -0.05 0.99 -0.85 0.00 0.00 174.74 174.27 1nby s THR 465 N 1.76 3.40 0.37 1.30 2.01 -1.26 -0.54 115.64 122.68 1nby s THR 465 Ca -0.01 -0.49 -0.05 0.00 0.31 0.00 0.00 61.69 61.45 1nby s THR 465 Cb -0.17 -2.53 -0.05 0.00 0.01 0.00 0.00 72.50 69.76 1nby s THR 465 CO -0.07 0.43 0.66 -0.36 -0.69 0.00 0.00 174.62 174.59 1nby s PHE 466 N 1.31 3.50 0.47 4.92 0.40 -0.45 -5.01 117.98 123.12 1nby s PHE 466 Ca 0.04 0.72 -0.24 0.00 -0.60 0.00 0.00 56.93 56.85 1nby s PHE 466 Cb -0.14 -2.19 -0.07 0.00 0.51 0.00 0.00 43.02 41.13 1nby s PHE 466 CO -0.02 -0.01 1.28 -2.14 0.70 0.00 0.00 175.22 175.03 1nby s PRO 467 N -4.05 3.65 0.56 0.24 0.02 -1.26 -4.48 135.00 129.67 1nby s PRO 467 Ca 0.46 2.07 -0.19 0.00 0.02 0.00 0.00 61.00 63.36 1nby s PRO 467 Cb -0.10 -2.50 -0.05 0.00 0.02 0.00 0.00 34.50 31.87 1nby s PRO 467 CO 0.35 -0.73 1.11 0.00 -0.33 0.00 0.00 177.00 177.40 1nby s ALA 468 N -1.36 2.68 0.15 -1.55 0.00 -1.26 -4.83 121.76 115.60 1nby s ALA 468 Ca 0.63 0.74 0.07 0.00 0.00 0.00 0.00 51.96 53.40 1nby s ALA 468 Cb -0.36 -3.34 -0.04 0.00 0.00 0.00 0.00 23.12 19.38 1nby s ALA 468 CO 0.44 -0.79 -0.15 0.14 0.00 0.00 0.00 175.76 175.40 1nby s VAL 469 N -1.91 1.53 -0.08 0.00 -7.23 -0.41 -4.92 120.40 107.38 1nby s VAL 469 Ca 0.71 -1.86 -0.24 0.00 -1.81 0.00 0.00 61.98 58.78 1nby s VAL 469 Cb -0.22 -1.71 -0.03 0.00 0.56 0.00 0.00 36.38 34.98 1nby s VAL 469 CO 0.29 -0.42 0.75 -0.22 -0.31 0.00 0.00 175.10 175.19 1nby s LEU 470 N -2.65 4.30 -0.23 1.32 2.96 -1.26 -1.22 118.68 121.88 1nby s LEU 470 Ca 0.13 1.24 -0.02 0.00 -0.22 0.00 0.00 54.13 55.26 1nby s LEU 470 Cb -0.04 -3.16 0.07 0.00 0.50 0.00 0.00 46.19 43.56 1nby s LEU 470 CO 0.04 -0.18 0.05 -1.58 -1.32 0.00 0.00 176.35 173.36 1nby s GLN 471 N 1.07 0.74 -1.26 1.98 0.74 0.28 -4.83 119.66 118.39 1nby s GLN 471 Ca 0.39 -0.66 -0.04 0.00 0.05 0.00 0.00 55.36 55.10 1nby s GLN 471 Cb -0.18 -2.08 -0.01 0.00 1.10 0.00 0.00 33.01 31.84 1nby s GLN 471 CO 0.18 -0.75 0.72 0.43 -0.55 0.00 0.00 175.29 175.32 1nby n SER 472 N 4.97 -2.21 0.00 6.67 7.64 -1.26 -1.79 113.62 127.63 1nby n SER 472 Ca -0.07 -0.85 0.00 0.00 1.01 0.00 0.00 58.87 58.96 1nby n SER 472 Cb 0.45 -3.99 0.00 0.00 -1.01 0.00 0.00 64.21 59.66 1nby n SER 472 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1nby n ASP 473 N -3.01 0.00 -4.59 6.43 10.43 -1.26 -4.98 116.55 119.57 1nby n ASP 473 Ca -0.25 0.00 -0.27 0.00 2.57 0.00 0.00 54.79 56.84 1nby n ASP 473 Cb 0.66 -0.38 -0.09 0.00 1.84 0.00 0.00 41.12 43.15 1nby n ASP 473 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 1nby s LEU 474 N 0.00 3.05 0.24 0.64 1.43 -0.74 -4.88 118.68 118.42 1nby s LEU 474 Ca 0.00 -0.54 -0.16 0.00 -1.03 0.00 0.00 54.13 52.40 1nby s LEU 474 Cb 0.00 -1.72 -0.08 0.00 0.03 0.00 0.00 46.19 44.42 1nby s LEU 474 CO 0.00 0.10 0.67 -0.31 0.23 0.00 0.00 176.35 177.04 1nby s TYR 475 N -1.73 3.52 -0.00 0.29 2.02 0.08 0.10 117.35 121.63 1nby s TYR 475 Ca 0.26 1.20 0.01 0.00 -0.37 0.00 0.00 57.07 58.16 1nby s TYR 475 Cb -0.09 -2.49 0.00 0.00 -0.40 0.00 0.00 41.96 38.98 1nby s TYR 475 CO 0.16 0.27 -0.02 0.99 -1.57 0.00 0.00 175.55 175.38 1nby s THR 476 N -1.70 0.14 0.07 -0.71 2.01 -0.36 -1.64 115.64 113.45 1nby s THR 476 Ca 0.46 -0.06 -0.11 0.00 0.31 0.00 0.00 61.69 62.29 1nby s THR 476 Cb -0.13 -0.13 0.01 0.00 0.01 0.00 0.00 72.50 72.25 1nby s THR 476 CO 0.19 0.05 0.24 -0.22 -0.69 0.00 0.00 174.62 174.19 1nby s LEU 477 N 0.03 1.16 0.07 4.42 0.20 0.52 -1.29 118.68 123.78 1nby s LEU 477 Ca 0.00 -0.46 0.00 0.00 0.69 0.00 0.00 54.13 54.37 1nby s LEU 477 Cb -0.02 1.20 -0.04 0.00 -0.43 0.00 0.00 46.19 46.90 1nby s LEU 477 CO -0.00 -0.69 -0.05 -0.94 -0.29 0.00 0.00 176.35 174.38 1nby s SER 478 N -2.54 0.78 -0.00 3.68 1.04 -1.26 0.47 113.70 115.87 1nby s SER 478 Ca 0.01 -0.99 0.00 0.00 0.48 0.00 0.00 55.95 55.45 1nby s SER 478 Cb 0.02 0.15 0.01 0.00 0.10 0.00 0.00 66.02 66.30 1nby s SER 478 CO -0.08 -0.53 0.00 -0.55 0.98 0.00 0.00 173.24 173.06 1nby s SER 479 N -2.94 0.02 0.07 7.02 0.15 -0.44 -1.34 113.70 116.25 1nby s SER 479 Ca 0.09 0.01 0.07 0.00 0.70 0.00 0.00 55.95 56.81 1nby s SER 479 Cb 0.06 -0.02 -0.04 0.00 -1.71 0.00 0.00 66.02 64.32 1nby s SER 479 CO -0.07 -0.02 -0.14 -0.94 1.20 0.00 0.00 173.24 173.27 1nby s SER 480 N 0.21 4.15 -0.02 5.45 1.04 0.30 -0.76 113.70 124.06 1nby s SER 480 Ca -0.02 -0.39 0.01 0.00 0.48 0.00 0.00 55.95 56.03 1nby s SER 480 Cb -0.03 -0.75 0.01 0.00 0.10 0.00 0.00 66.02 65.36 1nby s SER 480 CO -0.01 0.22 -0.04 0.54 0.98 0.00 0.00 173.24 174.94 1nby s VAL 481 N -1.07 0.40 -0.12 5.02 0.11 -0.14 -1.37 120.40 123.23 1nby s VAL 481 Ca 0.18 -0.12 0.01 0.00 -2.93 0.00 0.00 61.98 59.11 1nby s VAL 481 Cb -0.11 -0.40 -0.01 0.00 -1.53 0.00 0.00 36.38 34.33 1nby s VAL 481 CO 0.09 0.16 -0.14 -0.89 -3.33 0.00 0.00 175.10 170.99 1nby s THR 482 N 0.45 2.95 0.20 5.04 2.01 -0.31 -0.93 115.64 125.05 1nby s THR 482 Ca -0.05 -0.70 -0.00 0.00 0.31 0.00 0.00 61.69 61.24 1nby s THR 482 Cb -0.09 -2.22 -0.04 0.00 0.01 0.00 0.00 72.50 70.16 1nby s THR 482 CO -0.00 0.54 0.10 0.68 -0.69 0.00 0.00 174.62 175.24 1nby s VAL 483 N 0.22 0.21 0.54 3.82 -7.23 -0.50 -4.64 120.40 112.83 1nby s VAL 483 Ca -0.09 -1.98 -0.18 0.00 -1.81 0.00 0.00 61.98 57.92 1nby s VAL 483 Cb -0.15 -2.40 -0.06 0.00 0.56 0.00 0.00 36.38 34.32 1nby s VAL 483 CO 0.05 -0.14 1.07 0.42 -0.31 0.00 0.00 175.10 176.20 1nby s THR 484 N -4.00 3.60 0.55 5.32 -4.23 -1.26 -0.63 115.64 114.98 1nby s THR 484 Ca 0.34 0.91 0.42 0.00 -1.18 0.00 0.00 61.69 62.19 1nby s THR 484 Cb 0.07 -3.36 0.43 0.00 1.34 0.00 0.00 72.50 70.98 1nby s THR 484 CO 0.10 -0.30 2.30 0.28 -0.54 0.00 0.00 174.62 176.45 1nby h SER 485 N 1.06 0.00 1.01 3.99 0.02 0.42 0.12 113.55 120.16 1nby h SER 485 Ca -0.49 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 1nby h SER 485 Cb 1.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.77 1nby h SER 485 CO 0.58 0.00 -0.08 -1.54 -1.14 0.00 0.00 176.83 174.65 1nby n SER 486 N -3.05 0.20 0.02 3.07 3.41 -1.26 -3.81 113.62 112.20 1nby n SER 486 Ca -0.02 0.41 -0.22 0.00 -0.26 0.00 0.00 58.87 58.78 1nby n SER 486 Cb 0.10 -0.44 -0.14 0.00 -0.26 0.00 0.00 64.21 63.47 1nby n SER 486 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1nby h THR 487 N 0.00 1.03 -4.28 6.66 2.02 -1.12 -3.43 112.91 113.79 1nby h THR 487 Ca 0.00 -2.42 -0.54 0.00 0.77 0.00 0.00 66.41 64.22 1nby h THR 487 Cb 0.54 2.74 -0.29 0.00 -1.74 0.00 0.00 68.15 69.40 1nby h THR 487 CO 0.00 0.73 -0.83 0.86 0.37 0.00 0.00 175.52 176.65 1nby s TRP 488 N -2.49 1.56 -2.00 3.16 -0.00 -1.20 -0.82 118.94 117.15 1nby s TRP 488 Ca -0.19 -0.31 0.23 0.00 -0.00 0.00 0.00 56.10 55.83 1nby s TRP 488 Cb 0.04 -0.99 1.38 0.00 -0.00 0.00 0.00 33.47 33.91 1nby s TRP 488 CO 0.78 -0.01 1.89 -0.35 -0.00 0.00 0.00 176.95 179.27 1nby n PRO 489 N 2.50 1.00 -0.22 5.86 -0.04 -1.26 -4.74 135.00 138.10 1nby n PRO 489 Ca -0.15 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.45 1nby n PRO 489 Cb 0.54 -1.36 0.45 0.00 -0.04 0.00 0.00 33.50 33.09 1nby n PRO 489 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1nby h SER 490 N 0.00 0.51 -3.74 3.54 4.64 -1.83 -3.38 113.55 113.29 1nby h SER 490 Ca 0.00 0.03 -0.68 0.00 -0.47 0.00 0.00 61.79 60.67 1nby h SER 490 Cb 0.00 -0.07 -0.25 0.00 -0.31 0.00 0.00 62.40 61.77 1nby h SER 490 CO 0.00 0.26 -0.77 -1.58 -0.87 0.00 0.00 176.83 173.87 1nby s GLN 491 N -5.53 2.86 0.47 4.77 0.74 -0.00 -5.10 119.66 117.87 1nby s GLN 491 Ca -0.09 -0.69 -0.22 0.00 0.05 0.00 0.00 55.36 54.41 1nby s GLN 491 Cb 0.22 -2.48 -0.07 0.00 1.10 0.00 0.00 33.01 31.77 1nby s GLN 491 CO 0.78 0.46 1.12 -1.54 -0.55 0.00 0.00 175.29 175.55 1nby s SER 492 N -0.30 6.19 -0.09 6.67 1.04 -1.26 -4.53 113.70 121.43 1nby s SER 492 Ca 0.03 2.17 0.01 0.00 0.48 0.00 0.00 55.95 58.64 1nby s SER 492 Cb -0.13 -2.59 0.02 0.00 0.10 0.00 0.00 66.02 63.42 1nby s SER 492 CO 0.03 -0.89 -0.12 -0.63 0.98 0.00 0.00 173.24 172.61 1nby s ILE 493 N -1.69 1.17 -0.02 -1.02 1.09 -1.26 -5.00 121.20 114.47 1nby s ILE 493 Ca 0.65 -0.46 0.04 0.00 -1.10 0.00 0.00 60.65 59.78 1nby s ILE 493 Cb -0.24 -1.10 -0.01 0.00 -1.06 0.00 0.00 42.46 40.05 1nby s ILE 493 CO 0.29 0.37 -0.14 -0.89 -0.10 0.00 0.00 174.94 174.47 1nby s THR 494 N 0.99 1.14 -0.09 2.92 2.01 -1.26 -1.03 115.64 120.32 1nby s THR 494 Ca -0.08 -0.59 -0.17 0.00 0.31 0.00 0.00 61.69 61.16 1nby s THR 494 Cb -0.15 -0.97 -0.05 0.00 0.01 0.00 0.00 72.50 71.34 1nby s THR 494 CO -0.00 0.33 0.46 0.00 -0.69 0.00 0.00 174.62 174.72 1nby s ASN 496 N 0.24 3.47 -0.15 0.00 -0.87 -0.06 -0.22 114.94 117.35 1nby s ASN 496 Ca 0.25 -0.53 0.01 0.00 -1.57 0.00 0.00 52.86 51.02 1nby s ASN 496 Cb -0.15 -1.53 0.02 0.00 -0.02 0.00 0.00 41.25 39.57 1nby s ASN 496 CO 0.11 0.06 -0.16 -0.69 -2.57 0.00 0.00 177.10 173.86 1nby s VAL 497 N 0.92 1.67 -0.06 1.60 1.01 0.26 -1.35 120.40 124.45 1nby s VAL 497 Ca -0.04 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.24 1nby s VAL 497 Cb -0.15 -1.55 -0.03 0.00 0.00 0.00 0.00 36.38 34.65 1nby s VAL 497 CO -0.03 0.48 -0.05 0.00 0.00 0.00 0.00 175.10 175.50 1nby s ALA 498 N 1.37 3.08 -0.41 5.51 0.00 -0.31 -1.03 121.76 129.95 1nby s ALA 498 Ca 0.03 -0.88 0.02 0.00 0.00 0.00 0.00 51.96 51.13 1nby s ALA 498 Cb -0.13 -1.29 0.13 0.00 0.00 0.00 0.00 23.12 21.83 1nby s ALA 498 CO -0.10 0.58 0.21 -1.58 0.00 0.00 0.00 175.76 174.87 1nby s HIS 499 N -0.86 2.01 0.22 0.00 2.46 -0.24 -1.34 115.29 117.55 1nby s HIS 499 Ca 0.13 -2.34 -0.09 0.00 0.47 0.00 0.00 55.06 53.24 1nby s HIS 499 Cb -0.11 -1.90 0.35 0.00 -0.13 0.00 0.00 32.58 30.79 1nby s HIS 499 CO 0.02 -0.80 1.66 -1.35 -2.47 0.00 0.00 174.74 171.80 1nby h PRO 500 N 6.99 0.14 -0.86 2.88 0.11 -1.80 -1.53 132.00 137.93 1nby h PRO 500 Ca -0.03 -0.01 0.19 0.00 0.11 0.00 0.00 66.00 66.25 1nby h PRO 500 Cb 0.95 -0.03 -0.06 0.00 0.11 0.00 0.00 31.00 31.96 1nby h PRO 500 CO 0.48 0.09 0.57 0.00 -0.21 0.00 0.00 178.00 178.93 1nby h ALA 501 N 1.60 2.18 -0.42 -0.75 0.00 -1.91 0.84 119.26 120.79 1nby h ALA 501 Ca 0.36 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1nby h ALA 501 Cb 0.59 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1nby h ALA 501 CO -0.55 -0.43 0.00 -1.13 0.00 0.00 0.00 179.25 177.13 1nby n SER 502 N -4.50 3.21 -3.89 0.00 3.41 -0.75 -4.97 113.62 106.13 1nby n SER 502 Ca 0.18 -1.93 -0.30 0.00 -0.26 0.00 0.00 58.87 56.55 1nby n SER 502 Cb 0.64 -0.28 0.02 0.00 -0.26 0.00 0.00 64.21 64.34 1nby n SER 502 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1nby n SER 503 N 1.06 -4.70 -4.56 4.04 7.64 0.29 -4.97 113.62 112.42 1nby n SER 503 Ca 0.16 -0.76 -0.25 0.00 1.01 0.00 0.00 58.87 59.02 1nby n SER 503 Cb 0.50 -3.76 -0.09 0.00 -1.01 0.00 0.00 64.21 59.85 1nby n SER 503 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1nby s THR 504 N -3.27 3.05 -0.23 0.44 -4.23 -1.02 -5.00 115.64 105.38 1nby s THR 504 Ca 0.66 -1.88 -0.08 0.00 -1.18 0.00 0.00 61.69 59.21 1nby s THR 504 Cb -0.33 -2.55 0.10 0.00 1.34 0.00 0.00 72.50 71.06 1nby s THR 504 CO 0.81 -0.22 0.49 -0.75 -0.54 0.00 0.00 174.62 174.40 1nby s LYS 505 N -3.12 0.40 0.10 3.99 2.20 -1.26 -1.08 119.74 120.98 1nby s LYS 505 Ca 0.27 1.14 0.08 0.00 -0.36 0.00 0.00 55.97 57.10 1nby s LYS 505 Cb -0.08 0.45 -0.03 0.00 -1.51 0.00 0.00 37.83 36.67 1nby s LYS 505 CO 0.16 -0.23 -0.21 0.14 -0.36 0.00 0.00 175.35 174.85 1nby s VAL 506 N 2.60 1.71 0.01 4.02 -7.23 -0.20 -4.96 120.40 116.35 1nby s VAL 506 Ca -0.03 -1.53 0.05 0.00 -1.81 0.00 0.00 61.98 58.66 1nby s VAL 506 Cb -0.12 -1.55 -0.03 0.00 0.56 0.00 0.00 36.38 35.24 1nby s VAL 506 CO -0.15 -0.05 -0.15 -1.81 -0.31 0.00 0.00 175.10 172.63 1nby s ASP 507 N -1.88 4.01 -0.18 4.85 -0.00 -1.26 -0.58 116.67 121.62 1nby s ASP 507 Ca 0.06 -0.31 -0.03 0.00 -0.00 0.00 0.00 52.55 52.27 1nby s ASP 507 Cb -0.10 -0.76 0.06 0.00 -0.00 0.00 0.00 42.92 42.12 1nby s ASP 507 CO 0.04 0.28 0.05 -0.75 -0.00 0.00 0.00 175.17 174.80 1nby s LYS 508 N -1.25 0.47 0.18 8.23 2.47 0.69 -4.96 119.74 125.57 1nby s LYS 508 Ca 0.14 -0.31 -0.30 0.00 -1.56 0.00 0.00 55.97 53.95 1nby s LYS 508 Cb -0.11 -2.00 -0.07 0.00 -1.46 0.00 0.00 37.83 34.19 1nby s LYS 508 CO 0.04 -0.64 1.04 0.21 0.16 0.00 0.00 175.35 176.16 1nby s LYS 509 N 1.95 4.67 0.00 4.03 2.20 -1.26 -0.33 119.74 131.00 1nby s LYS 509 Ca 0.00 1.62 0.31 0.00 -0.36 0.00 0.00 55.97 57.53 1nby s LYS 509 Cb -0.17 -3.30 1.62 0.00 -1.51 0.00 0.00 37.83 34.48 1nby s LYS 509 CO -0.08 0.20 2.07 -0.89 -0.36 0.00 0.00 175.35 176.28