#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b0r s ILE 401 N 0.00 5.01 -0.11 3.17 1.01 -1.26 -5.07 121.20 123.95 1b0r s ILE 401 Ca 0.00 1.17 -0.08 0.00 0.00 0.00 0.00 60.65 61.74 1b0r s ILE 401 Cb 0.00 -3.94 -0.04 0.00 0.01 0.00 0.00 42.46 38.49 1b0r s ILE 401 CO 0.00 0.09 0.17 -1.10 0.00 0.00 0.00 174.94 174.10 1b0r s GLN 402 N 2.05 3.51 -0.03 2.79 -0.21 -1.26 -4.57 119.66 121.94 1b0r s GLN 402 Ca 0.28 -0.08 -0.01 0.00 0.02 0.00 0.00 55.36 55.57 1b0r s GLN 402 Cb -0.16 -3.20 0.03 0.00 1.00 0.00 0.00 33.01 30.68 1b0r s GLN 402 CO 0.10 0.75 0.04 1.03 -2.12 0.00 0.00 175.29 175.09 1b0r s ARG 403 N -0.98 -0.02 0.45 2.91 0.52 0.95 -4.92 118.95 117.86 1b0r s ARG 403 Ca 0.16 0.23 -0.23 0.00 -0.52 0.00 0.00 55.73 55.37 1b0r s ARG 403 Cb -0.12 -0.35 -0.08 0.00 0.52 0.00 0.00 34.95 34.92 1b0r s ARG 403 CO 0.05 -0.21 1.11 0.95 0.02 0.00 0.00 175.30 177.21 1b0r s THR 404 N 1.39 3.39 0.66 0.02 -4.23 -1.26 -1.70 115.64 113.90 1b0r s THR 404 Ca -0.05 1.00 -0.13 0.00 -1.18 0.00 0.00 61.69 61.33 1b0r s THR 404 Cb -0.13 -3.49 -0.01 0.00 1.34 0.00 0.00 72.50 70.22 1b0r s THR 404 CO -0.03 -0.05 1.07 -2.16 -0.54 0.00 0.00 174.62 172.91 1b0r s PRO 405 N -2.77 2.98 -0.13 3.99 0.04 -1.26 -4.21 135.00 133.63 1b0r s PRO 405 Ca 0.63 1.16 -0.03 0.00 0.04 0.00 0.00 61.00 62.80 1b0r s PRO 405 Cb -0.24 -1.99 -0.03 0.00 0.04 0.00 0.00 34.50 32.28 1b0r s PRO 405 CO 0.30 -1.08 -0.03 0.15 0.04 0.00 0.00 177.00 176.38 1b0r s LYS 406 N -4.47 3.47 -0.12 4.56 1.02 0.54 -4.91 119.74 119.84 1b0r s LYS 406 Ca 0.62 -0.50 0.00 0.00 0.02 0.00 0.00 55.97 56.11 1b0r s LYS 406 Cb -0.16 -2.87 -0.02 0.00 -0.52 0.00 0.00 37.83 34.27 1b0r s LYS 406 CO 0.45 0.36 -0.13 0.42 -0.92 0.00 0.00 175.35 175.54 1b0r s ILE 407 N 0.03 3.07 -0.27 2.17 1.01 -1.26 -1.19 121.20 124.76 1b0r s ILE 407 Ca 0.01 -0.66 0.00 0.00 0.00 0.00 0.00 60.65 59.99 1b0r s ILE 407 Cb -0.13 -2.28 0.08 0.00 0.01 0.00 0.00 42.46 40.14 1b0r s ILE 407 CO 0.03 0.54 0.03 -1.10 0.00 0.00 0.00 174.94 174.43 1b0r s GLN 408 N 0.16 1.12 -0.36 2.79 -0.21 -1.08 -5.00 119.66 117.06 1b0r s GLN 408 Ca -0.07 -1.06 -0.15 0.00 0.02 0.00 0.00 55.36 54.10 1b0r s GLN 408 Cb -0.15 -2.39 -0.00 0.00 1.00 0.00 0.00 33.01 31.47 1b0r s GLN 408 CO 0.05 -0.79 0.34 0.08 -2.12 0.00 0.00 175.29 172.84 1b0r s VAL 409 N 1.48 5.19 0.26 1.09 1.01 -1.26 -1.86 120.40 126.31 1b0r s VAL 409 Ca 0.03 -0.18 -0.12 0.00 0.00 0.00 0.00 61.98 61.71 1b0r s VAL 409 Cb -0.18 -3.85 -0.00 0.00 0.00 0.00 0.00 36.38 32.35 1b0r s VAL 409 CO -0.14 -0.16 0.48 -0.72 0.00 0.00 0.00 175.10 174.57 1b0r s TYR 410 N 1.93 0.40 0.12 5.22 1.13 -0.60 -4.36 117.35 121.18 1b0r s TYR 410 Ca 0.10 -0.76 0.04 0.00 -1.41 0.00 0.00 57.07 55.03 1b0r s TYR 410 Cb -0.17 0.19 -0.04 0.00 -1.10 0.00 0.00 41.96 40.84 1b0r s TYR 410 CO 0.11 -1.01 0.14 -1.54 -2.51 0.00 0.00 175.55 170.75 1b0r s SER 411 N -3.03 5.72 0.12 -0.18 1.04 -1.26 0.13 113.70 116.24 1b0r s SER 411 Ca 0.23 -0.01 -0.24 0.00 0.48 0.00 0.00 55.95 56.40 1b0r s SER 411 Cb -0.01 -1.57 -0.06 0.00 0.10 0.00 0.00 66.02 64.48 1b0r s SER 411 CO 0.10 0.11 1.66 -0.09 0.98 0.00 0.00 173.24 176.00 1b0r h ARG 412 N 2.73 -0.30 -6.01 4.02 2.43 -1.27 -3.44 114.38 112.54 1b0r h ARG 412 Ca -0.47 0.02 -0.58 0.00 -0.81 0.00 0.00 59.98 58.13 1b0r h ARG 412 Cb 1.18 0.07 -0.11 0.00 -0.42 0.00 0.00 29.97 30.69 1b0r h ARG 412 CO 0.66 -0.20 -0.61 -1.01 -1.51 0.00 0.00 179.97 177.30 1b0r s HIS 413 N -6.11 2.55 0.20 2.20 3.76 -1.26 -5.04 115.29 111.59 1b0r s HIS 413 Ca -0.15 -0.44 -0.32 0.00 -0.15 0.00 0.00 55.06 54.00 1b0r s HIS 413 Cb 0.09 -1.50 -0.13 0.00 1.11 0.00 0.00 32.58 32.15 1b0r s HIS 413 CO 0.66 0.47 1.58 -0.35 -0.85 0.00 0.00 174.74 176.26 1b0r n PRO 414 N -0.96 2.34 -1.64 8.40 -0.04 -1.26 -4.86 135.00 136.98 1b0r n PRO 414 Ca -0.04 0.84 -0.45 0.00 -0.04 0.00 0.00 63.50 63.81 1b0r n PRO 414 Cb 0.62 -2.61 -0.04 0.00 -0.04 0.00 0.00 33.50 31.44 1b0r n PRO 414 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1b0r n ALA 415 N 3.08 1.33 -3.79 0.55 0.00 -1.26 -4.97 120.51 115.45 1b0r n ALA 415 Ca 0.15 0.12 -0.29 0.00 0.00 0.00 0.00 53.44 53.42 1b0r n ALA 415 Cb 0.32 -2.66 -0.16 0.00 0.00 0.00 0.00 19.45 16.95 1b0r n ALA 415 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1b0r s GLU 416 N 4.86 0.93 0.34 0.00 2.02 -1.26 -5.12 118.70 120.47 1b0r s GLU 416 Ca 0.95 -0.75 -0.26 0.00 0.02 0.00 0.00 54.97 54.92 1b0r s GLU 416 Cb -0.54 -2.22 -0.13 0.00 0.10 0.00 0.00 34.13 31.34 1b0r s GLU 416 CO 0.45 -0.72 0.94 0.09 0.02 0.00 0.00 175.26 176.03 1b0r n ASN 417 N 4.89 0.94 0.00 -0.19 3.02 -1.26 -1.14 115.26 121.52 1b0r n ASN 417 Ca -0.08 1.10 0.00 0.00 -0.03 0.00 0.00 54.58 55.57 1b0r n ASN 417 Cb 0.45 -1.27 0.00 0.00 -0.61 0.00 0.00 39.78 38.34 1b0r n ASN 417 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1b0r n GLY 418 N 1.30 2.54 3.69 7.41 0.00 0.26 -4.95 105.19 115.45 1b0r n GLY 418 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 1b0r n GLY 418 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b0r s LYS 419 N -0.33 3.37 0.31 1.61 -0.14 -0.29 -4.93 119.74 119.34 1b0r s LYS 419 Ca 0.00 -0.35 -0.29 0.00 -1.36 0.00 0.00 55.97 53.97 1b0r s LYS 419 Cb 0.00 -2.98 -0.10 0.00 -1.68 0.00 0.00 37.83 33.07 1b0r s LYS 419 CO 0.00 0.57 1.27 -1.54 -0.76 0.00 0.00 175.35 174.89 1b0r s SER 420 N -0.50 6.87 0.32 2.83 1.04 -1.26 -3.32 113.70 119.68 1b0r s SER 420 Ca 0.10 2.59 -0.10 0.00 0.48 0.00 0.00 55.95 59.01 1b0r s SER 420 Cb -0.12 -2.64 0.04 0.00 0.10 0.00 0.00 66.02 63.40 1b0r s SER 420 CO 0.02 -0.46 0.60 -3.20 0.98 0.00 0.00 173.24 171.18 1b0r n ASN 421 N 1.04 -1.73 -4.19 7.02 2.85 0.43 -4.95 115.26 115.72 1b0r n ASN 421 Ca 0.00 -2.35 -0.27 0.00 -0.11 0.00 0.00 54.58 51.85 1b0r n ASN 421 Cb 0.42 2.93 -0.16 0.00 1.24 0.00 0.00 39.78 44.21 1b0r n ASN 421 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1b0r s PHE 422 N -3.42 1.89 -0.09 1.20 0.40 -1.26 0.24 117.98 116.94 1b0r s PHE 422 Ca 0.15 -0.46 -0.13 0.00 -0.60 0.00 0.00 56.93 55.89 1b0r s PHE 422 Cb -0.03 -1.24 -0.05 0.00 0.51 0.00 0.00 43.02 42.21 1b0r s PHE 422 CO 0.11 -0.11 0.31 -1.17 0.70 0.00 0.00 175.22 175.06 1b0r s LEU 423 N -0.24 4.36 0.23 -0.37 2.96 0.14 -0.69 118.68 125.07 1b0r s LEU 423 Ca 0.02 0.67 0.10 0.00 -0.22 0.00 0.00 54.13 54.70 1b0r s LEU 423 Cb -0.10 -2.40 -0.05 0.00 0.50 0.00 0.00 46.19 44.14 1b0r s LEU 423 CO 0.01 0.24 -0.18 0.20 -1.32 0.00 0.00 176.35 175.30 1b0r s ASN 424 N -0.38 3.09 -0.31 3.68 0.01 0.36 -0.98 114.94 120.41 1b0r s ASN 424 Ca 0.19 -0.99 -0.00 0.00 -0.71 0.00 0.00 52.86 51.35 1b0r s ASN 424 Cb -0.14 -0.22 0.13 0.00 0.41 0.00 0.00 41.25 41.43 1b0r s ASN 424 CO 0.07 -0.04 0.27 0.00 -1.51 0.00 0.00 177.10 175.90 1b0r s TYR 426 N 2.05 3.24 -0.04 0.00 5.04 -0.77 -0.73 117.35 126.14 1b0r s TYR 426 Ca 0.11 -1.30 -0.22 0.00 -2.44 0.00 0.00 57.07 53.23 1b0r s TYR 426 Cb -0.15 -3.90 -0.04 0.00 0.35 0.00 0.00 41.96 38.22 1b0r s TYR 426 CO -0.26 -1.13 0.65 0.08 -1.34 0.00 0.00 175.55 173.55 1b0r s VAL 427 N 1.79 4.98 0.24 3.14 1.01 -0.21 -2.65 120.40 128.70 1b0r s VAL 427 Ca 0.09 1.36 -0.10 0.00 0.00 0.00 0.00 61.98 63.33 1b0r s VAL 427 Cb -0.24 -3.99 -0.01 0.00 0.00 0.00 0.00 36.38 32.14 1b0r s VAL 427 CO 0.02 0.32 0.42 -0.94 0.00 0.00 0.00 175.10 174.91 1b0r s SER 428 N 0.39 0.01 -1.41 3.32 1.04 -0.33 -1.01 113.70 115.71 1b0r s SER 428 Ca 0.34 -1.05 0.00 0.00 0.48 0.00 0.00 55.95 55.73 1b0r s SER 428 Cb -0.18 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.50 1b0r s SER 428 CO 0.18 -1.10 0.00 0.61 0.98 0.00 0.00 173.24 173.91 1b0r n GLY 429 N -0.37 1.11 3.86 7.32 0.00 0.08 -0.34 105.19 116.86 1b0r n GLY 429 Ca -0.01 -0.36 -0.22 0.00 0.00 0.00 0.00 46.02 45.43 1b0r n GLY 429 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1b0r s PHE 430 N -2.55 3.21 -0.28 1.61 -0.71 -1.22 -4.55 117.98 113.49 1b0r s PHE 430 Ca 0.00 -0.08 -0.19 0.00 -1.04 0.00 0.00 56.93 55.63 1b0r s PHE 430 Cb 0.00 -1.46 0.08 0.00 -1.21 0.00 0.00 43.02 40.43 1b0r s PHE 430 CO 0.00 0.50 0.71 -1.58 -1.34 0.00 0.00 175.22 173.51 1b0r s HIS 431 N -2.07 -0.98 1.25 3.49 2.46 -0.69 -0.68 115.29 118.08 1b0r s HIS 431 Ca 0.33 2.05 -0.20 0.00 0.47 0.00 0.00 55.06 57.71 1b0r s HIS 431 Cb -0.08 0.53 0.31 0.00 -0.13 0.00 0.00 32.58 33.20 1b0r s HIS 431 CO 0.26 -0.48 1.09 -1.25 -2.47 0.00 0.00 174.74 171.89 1b0r s PRO 432 N 1.28 -1.61 0.23 2.88 0.04 -1.26 -0.04 135.00 136.52 1b0r s PRO 432 Ca -0.07 -0.11 -0.02 0.00 0.04 0.00 0.00 61.00 60.84 1b0r s PRO 432 Cb -0.05 -1.55 0.24 0.00 0.04 0.00 0.00 34.50 33.18 1b0r s PRO 432 CO -0.14 -3.96 1.64 0.66 0.04 0.00 0.00 177.00 175.24 1b0r h SER 433 N -2.76 0.67 -2.02 6.66 4.64 -1.99 -3.44 113.55 115.31 1b0r h SER 433 Ca -0.43 -0.25 -0.58 0.00 -0.47 0.00 0.00 61.79 60.05 1b0r h SER 433 Cb 1.29 -0.18 0.01 0.00 -0.31 0.00 0.00 62.40 63.21 1b0r h SER 433 CO 0.31 0.92 1.33 0.47 -0.87 0.00 0.00 176.83 178.98 1b0r n ASP 434 N -4.09 3.49 -3.68 4.97 8.00 -1.26 -4.94 116.55 119.05 1b0r n ASP 434 Ca -0.01 0.59 -0.15 0.00 0.71 0.00 0.00 54.79 55.94 1b0r n ASP 434 Cb 0.45 -1.48 -0.08 0.00 -0.02 0.00 0.00 41.12 39.98 1b0r n ASP 434 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1b0r s ILE 435 N 6.20 0.02 -0.20 0.53 2.07 -1.26 -4.54 121.20 124.03 1b0r s ILE 435 Ca 0.96 -0.16 -0.03 0.00 -1.41 0.00 0.00 60.65 60.02 1b0r s ILE 435 Cb -0.48 -0.75 -0.01 0.00 0.13 0.00 0.00 42.46 41.35 1b0r s ILE 435 CO 0.42 -0.09 -0.08 -0.70 -1.91 0.00 0.00 174.94 172.58 1b0r s GLU 436 N -0.65 3.34 -0.05 3.50 2.12 -0.38 -4.98 118.70 121.60 1b0r s GLU 436 Ca -0.07 -0.66 0.02 0.00 0.36 0.00 0.00 54.97 54.62 1b0r s GLU 436 Cb -0.03 -2.88 0.01 0.00 0.26 0.00 0.00 34.13 31.49 1b0r s GLU 436 CO 0.04 -0.11 -0.11 0.08 -0.54 0.00 0.00 175.26 174.62 1b0r s VAL 437 N 1.20 1.04 0.01 3.70 1.01 -1.26 -1.45 120.40 124.65 1b0r s VAL 437 Ca 0.02 -0.44 -0.01 0.00 0.00 0.00 0.00 61.98 61.55 1b0r s VAL 437 Cb -0.14 -0.94 -0.01 0.00 0.00 0.00 0.00 36.38 35.28 1b0r s VAL 437 CO -0.03 0.33 0.00 -0.62 0.00 0.00 0.00 175.10 174.78 1b0r s ASP 438 N 0.53 0.11 -0.14 3.32 -1.08 -0.37 -5.00 116.67 114.04 1b0r s ASP 438 Ca -0.11 -0.24 -0.10 0.00 -0.52 0.00 0.00 52.55 51.57 1b0r s ASP 438 Cb -0.14 0.08 -0.05 0.00 -1.46 0.00 0.00 42.92 41.36 1b0r s ASP 438 CO 0.03 -0.18 0.20 -0.76 0.52 0.00 0.00 175.17 174.98 1b0r s LEU 439 N -0.81 4.30 -0.02 -1.34 1.43 -1.26 0.38 118.68 121.37 1b0r s LEU 439 Ca -0.09 0.45 0.02 0.00 -1.03 0.00 0.00 54.13 53.48 1b0r s LEU 439 Cb -0.05 -2.20 -0.03 0.00 0.03 0.00 0.00 46.19 43.93 1b0r s LEU 439 CO -0.00 0.25 -0.06 -0.76 0.23 0.00 0.00 176.35 176.00 1b0r s LEU 440 N -0.21 3.19 -0.24 1.79 1.43 0.15 -1.19 118.68 123.59 1b0r s LEU 440 Ca 0.14 -0.10 0.02 0.00 -1.03 0.00 0.00 54.13 53.17 1b0r s LEU 440 Cb -0.12 -1.78 0.05 0.00 0.03 0.00 0.00 46.19 44.37 1b0r s LEU 440 CO 0.03 0.31 -0.11 -0.75 0.23 0.00 0.00 176.35 176.06 1b0r s LYS 441 N -1.22 2.23 -1.45 1.70 2.20 0.10 -0.20 119.74 123.10 1b0r s LYS 441 Ca 0.16 -1.20 -0.10 0.00 -0.36 0.00 0.00 55.97 54.46 1b0r s LYS 441 Cb -0.11 -2.78 0.06 0.00 -1.51 0.00 0.00 37.83 33.49 1b0r s LYS 441 CO 0.06 -0.52 0.74 0.09 -0.36 0.00 0.00 175.35 175.36 1b0r n ASN 442 N 4.50 -4.94 0.00 1.43 3.02 0.12 -1.67 115.26 117.73 1b0r n ASN 442 Ca -0.15 -0.51 0.00 0.00 -0.03 0.00 0.00 54.58 53.90 1b0r n ASN 442 Cb 0.44 -3.98 0.00 0.00 -0.61 0.00 0.00 39.78 35.62 1b0r n ASN 442 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1b0r n GLY 443 N -1.51 2.74 3.80 7.41 0.00 -1.26 -5.03 105.19 111.35 1b0r n GLY 443 Ca -0.02 -0.51 -0.33 0.00 0.00 0.00 0.00 46.02 45.16 1b0r n GLY 443 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1b0r s GLU 444 N 0.00 3.47 0.38 1.61 2.02 -0.67 -4.93 118.70 120.58 1b0r s GLU 444 Ca 0.00 1.30 -0.26 0.00 0.02 0.00 0.00 54.97 56.03 1b0r s GLU 444 Cb 0.00 -2.05 -0.09 0.00 0.10 0.00 0.00 34.13 32.09 1b0r s GLU 444 CO 0.00 -0.70 1.17 0.50 0.02 0.00 0.00 175.26 176.26 1b0r s ARG 445 N -3.72 4.14 -0.25 1.61 3.52 -1.26 0.03 118.95 123.01 1b0r s ARG 445 Ca 0.66 1.86 -0.07 0.00 -0.13 0.00 0.00 55.73 58.04 1b0r s ARG 445 Cb -0.17 -2.75 -0.03 0.00 -1.56 0.00 0.00 34.95 30.44 1b0r s ARG 445 CO 0.30 -0.25 0.07 0.42 -0.81 0.00 0.00 175.30 175.03 1b0r s ILE 446 N -1.37 4.32 -0.07 4.11 1.01 -0.33 -4.79 121.20 124.07 1b0r s ILE 446 Ca 0.55 -0.19 -0.25 0.00 0.00 0.00 0.00 60.65 60.76 1b0r s ILE 446 Cb -0.31 -3.03 -0.20 0.00 0.01 0.00 0.00 42.46 38.92 1b0r s ILE 446 CO 0.40 0.32 0.97 -0.33 0.00 0.00 0.00 174.94 176.30 1b0r h GLU 447 N 8.24 -0.07 -5.00 2.79 5.08 -1.96 -3.40 114.58 120.27 1b0r h GLU 447 Ca -0.38 0.00 -0.70 0.00 -1.00 0.00 0.00 59.36 57.28 1b0r h GLU 447 Cb 1.17 0.01 -0.09 0.00 0.50 0.00 0.00 28.75 30.35 1b0r h GLU 447 CO 0.58 0.54 2.30 1.17 -1.00 0.00 0.00 179.01 182.60 1b0r n LYS 448 N -4.80 3.17 -4.41 2.33 4.81 -1.26 -4.90 118.16 113.10 1b0r n LYS 448 Ca -0.08 -3.22 -0.24 0.00 -0.87 0.00 0.00 58.31 53.90 1b0r n LYS 448 Cb 0.31 -3.32 -0.09 0.00 0.02 0.00 0.00 35.03 31.95 1b0r n LYS 448 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1b0r s VAL 449 N 3.21 2.75 0.07 3.15 1.01 -1.26 -4.49 120.40 124.84 1b0r s VAL 449 Ca 0.49 -2.21 0.00 0.00 0.00 0.00 0.00 61.98 60.26 1b0r s VAL 449 Cb 0.06 -2.52 -0.04 0.00 0.00 0.00 0.00 36.38 33.87 1b0r s VAL 449 CO 0.02 -0.36 -0.04 -1.61 0.00 0.00 0.00 175.10 173.11 1b0r s GLU 450 N -3.58 0.72 -0.01 2.72 2.02 -0.03 -4.98 118.70 115.55 1b0r s GLU 450 Ca 0.31 -1.28 -0.14 0.00 0.02 0.00 0.00 54.97 53.88 1b0r s GLU 450 Cb -0.04 0.05 0.02 0.00 0.10 0.00 0.00 34.13 34.26 1b0r s GLU 450 CO 0.17 -0.08 0.29 -3.38 0.02 0.00 0.00 175.26 172.28 1b0r s HIS 451 N -3.81 -0.16 1.00 1.61 -3.43 -1.26 -1.13 115.29 108.11 1b0r s HIS 451 Ca 0.10 0.22 -0.11 0.00 -0.80 0.00 0.00 55.06 54.47 1b0r s HIS 451 Cb 0.07 0.08 0.19 0.00 -1.43 0.00 0.00 32.58 31.49 1b0r s HIS 451 CO -0.07 -0.38 1.09 -1.54 -2.00 0.00 0.00 174.74 171.83 1b0r s SER 452 N -1.35 2.38 0.58 7.38 1.04 -0.62 -4.96 113.70 118.16 1b0r s SER 452 Ca -0.14 1.73 -0.14 0.00 0.48 0.00 0.00 55.95 57.88 1b0r s SER 452 Cb -0.05 -2.35 -0.05 0.00 0.10 0.00 0.00 66.02 63.67 1b0r s SER 452 CO 0.04 -3.36 1.02 -1.81 0.98 0.00 0.00 173.24 170.11 1b0r s ASP 453 N -2.85 6.22 0.11 7.02 1.11 -1.26 -4.70 116.67 122.32 1b0r s ASP 453 Ca 0.66 1.56 -0.31 0.00 0.18 0.00 0.00 52.55 54.64 1b0r s ASP 453 Cb -0.22 -2.50 -0.08 0.00 1.07 0.00 0.00 42.92 41.19 1b0r s ASP 453 CO 0.60 -0.87 1.48 -0.22 1.18 0.00 0.00 175.17 177.34 1b0r s LEU 454 N -4.69 4.36 0.10 1.23 0.20 -1.26 -4.86 118.68 113.77 1b0r s LEU 454 Ca 0.58 2.41 -0.05 0.00 0.69 0.00 0.00 54.13 57.76 1b0r s LEU 454 Cb -0.12 -3.58 -0.02 0.00 -0.43 0.00 0.00 46.19 42.04 1b0r s LEU 454 CO 0.43 -0.74 0.12 -0.55 -0.29 0.00 0.00 176.35 175.31 1b0r s SER 455 N 1.38 0.25 0.07 3.68 0.15 -1.24 -5.05 113.70 112.94 1b0r s SER 455 Ca 0.67 -0.92 0.01 0.00 0.70 0.00 0.00 55.95 56.42 1b0r s SER 455 Cb -0.39 0.31 -0.04 0.00 -1.71 0.00 0.00 66.02 64.20 1b0r s SER 455 CO 0.30 -0.73 -0.06 0.72 1.20 0.00 0.00 173.24 174.68 1b0r s PHE 456 N -3.94 0.74 0.51 3.44 -0.12 -1.26 -1.50 117.98 115.84 1b0r s PHE 456 Ca 0.12 -0.84 -0.04 0.00 -0.05 0.00 0.00 56.93 56.13 1b0r s PHE 456 Cb 0.06 -0.45 0.11 0.00 -0.63 0.00 0.00 43.02 42.11 1b0r s PHE 456 CO -0.06 -0.18 0.70 0.43 -0.05 0.00 0.00 175.22 176.06 1b0r n SER 457 N 0.40 0.54 0.27 1.98 7.64 0.42 -4.88 113.62 119.97 1b0r n SER 457 Ca -0.15 -1.55 0.15 0.00 1.01 0.00 0.00 58.87 58.33 1b0r n SER 457 Cb 0.59 -0.49 0.86 0.00 -1.01 0.00 0.00 64.21 64.16 1b0r n SER 457 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1b0r h LYS 458 N 0.00 0.00 -0.61 1.43 3.64 -2.03 0.15 116.57 119.15 1b0r h LYS 458 Ca -0.23 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.15 1b0r h LYS 458 Cb 0.75 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.57 1b0r h LYS 458 CO 0.21 0.00 0.00 -0.40 -2.27 0.00 0.00 179.45 176.99 1b0r n ASP 459 N -3.93 5.36 0.00 4.20 5.68 -1.26 -4.92 116.55 121.67 1b0r n ASP 459 Ca -0.02 -2.83 0.00 0.00 -0.50 0.00 0.00 54.79 51.44 1b0r n ASP 459 Cb 0.14 -0.67 0.00 0.00 -1.14 0.00 0.00 41.12 39.46 1b0r n ASP 459 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 1b0r n TRP 460 N 0.63 0.00 -2.79 2.11 7.02 0.04 -4.99 117.44 119.46 1b0r n TRP 460 Ca 0.26 0.00 -0.39 0.00 -1.02 0.00 0.00 57.50 56.35 1b0r n TRP 460 Cb 1.11 -0.92 -0.06 0.00 -2.42 0.00 0.00 31.31 29.02 1b0r n TRP 460 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1b0r s SER 461 N -2.26 7.52 0.79 -0.99 1.04 -1.26 -4.75 113.70 113.80 1b0r s SER 461 Ca 0.00 1.87 -0.11 0.00 0.48 0.00 0.00 55.95 58.20 1b0r s SER 461 Cb 0.00 -2.59 0.08 0.00 0.10 0.00 0.00 66.02 63.62 1b0r s SER 461 CO 0.00 0.10 1.15 -0.36 0.98 0.00 0.00 173.24 175.10 1b0r s PHE 462 N -1.31 2.84 -0.16 5.02 0.08 0.15 -0.44 117.98 124.15 1b0r s PHE 462 Ca 0.43 0.64 -0.22 0.00 0.12 0.00 0.00 56.93 57.90 1b0r s PHE 462 Cb -0.23 -3.46 0.06 0.00 -0.57 0.00 0.00 43.02 38.81 1b0r s PHE 462 CO 0.29 -1.75 0.57 1.52 -0.10 0.00 0.00 175.22 175.75 1b0r s TYR 463 N -3.52 -0.59 0.03 0.36 -0.85 -0.56 -0.74 117.35 111.47 1b0r s TYR 463 Ca 0.62 1.33 -0.16 0.00 -0.52 0.00 0.00 57.07 58.34 1b0r s TYR 463 Cb -0.10 0.24 0.03 0.00 0.38 0.00 0.00 41.96 42.51 1b0r s TYR 463 CO 0.48 -0.38 0.36 -0.51 -1.52 0.00 0.00 175.55 173.98 1b0r s LEU 464 N -0.19 0.64 -0.18 -3.49 1.43 -0.18 -3.69 118.68 113.02 1b0r s LEU 464 Ca -0.04 -0.02 0.00 0.00 -1.03 0.00 0.00 54.13 53.05 1b0r s LEU 464 Cb -0.03 1.52 0.04 0.00 0.03 0.00 0.00 46.19 47.75 1b0r s LEU 464 CO 0.03 -0.59 -0.09 -0.22 0.23 0.00 0.00 176.35 175.71 1b0r s LEU 465 N -1.82 1.99 -0.48 1.79 2.96 -1.26 -1.05 118.68 120.81 1b0r s LEU 465 Ca -0.07 -0.76 -0.12 0.00 -0.22 0.00 0.00 54.13 52.95 1b0r s LEU 465 Cb -0.02 -1.12 0.11 0.00 0.50 0.00 0.00 46.19 45.66 1b0r s LEU 465 CO -0.01 -0.15 0.38 -0.31 -1.32 0.00 0.00 176.35 174.94 1b0r s TYR 466 N 1.49 3.34 0.14 5.38 1.51 0.09 -1.58 117.35 127.71 1b0r s TYR 466 Ca 0.00 -1.54 0.04 0.00 -1.01 0.00 0.00 57.07 54.57 1b0r s TYR 466 Cb -0.15 -3.43 -0.04 0.00 -0.11 0.00 0.00 41.96 38.22 1b0r s TYR 466 CO -0.08 -0.95 0.13 1.52 -1.11 0.00 0.00 175.55 175.06 1b0r s TYR 467 N 1.47 3.20 -0.02 2.71 1.13 -0.29 -1.72 117.35 123.83 1b0r s TYR 467 Ca 0.04 0.03 -0.08 0.00 -1.41 0.00 0.00 57.07 55.65 1b0r s TYR 467 Cb -0.26 -1.56 0.01 0.00 -1.10 0.00 0.00 41.96 39.04 1b0r s TYR 467 CO 0.02 0.52 0.18 -0.08 -2.51 0.00 0.00 175.55 173.68 1b0r s THR 468 N -1.64 0.06 -0.20 -3.49 -1.32 -0.15 -0.85 115.64 108.05 1b0r s THR 468 Ca 0.31 -0.47 -0.22 0.00 -1.21 0.00 0.00 61.69 60.10 1b0r s THR 468 Cb -0.11 -0.42 -0.02 0.00 -1.51 0.00 0.00 72.50 70.44 1b0r s THR 468 CO 0.23 -0.26 0.69 -0.70 -2.21 0.00 0.00 174.62 172.37 1b0r s GLU 469 N -0.96 4.21 -0.05 7.08 2.12 -1.26 0.26 118.70 130.11 1b0r s GLU 469 Ca -0.10 0.71 -0.07 0.00 0.36 0.00 0.00 54.97 55.87 1b0r s GLU 469 Cb -0.06 -3.59 0.01 0.00 0.26 0.00 0.00 34.13 30.76 1b0r s GLU 469 CO 0.02 -0.30 0.18 -0.59 -0.54 0.00 0.00 175.26 174.02 1b0r s PHE 470 N 2.11 -0.13 -0.63 5.30 -0.71 0.14 -4.92 117.98 119.13 1b0r s PHE 470 Ca 0.31 0.30 -0.10 0.00 -1.04 0.00 0.00 56.93 56.40 1b0r s PHE 470 Cb -0.16 0.04 0.16 0.00 -1.21 0.00 0.00 43.02 41.85 1b0r s PHE 470 CO 0.10 -0.16 0.53 0.99 -1.34 0.00 0.00 175.22 175.34 1b0r s THR 471 N -0.39 4.72 0.41 -4.49 2.01 -1.26 -0.43 115.64 116.21 1b0r s THR 471 Ca -0.05 -2.22 -0.23 0.00 0.31 0.00 0.00 61.69 59.51 1b0r s THR 471 Cb -0.03 -4.02 -0.13 0.00 0.01 0.00 0.00 72.50 68.33 1b0r s THR 471 CO 0.01 -0.90 0.51 -0.81 -0.69 0.00 0.00 174.62 172.74 1b0r n PRO 472 N 4.35 0.51 -4.29 4.92 -0.04 -1.21 -4.53 135.00 134.70 1b0r n PRO 472 Ca 0.02 0.19 -0.17 0.00 -0.04 0.00 0.00 63.50 63.49 1b0r n PRO 472 Cb 0.42 -1.44 -0.10 0.00 -0.04 0.00 0.00 33.50 32.33 1b0r n PRO 472 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1b0r s THR 473 N -1.46 1.48 0.06 0.52 2.01 -1.26 0.91 115.64 117.89 1b0r s THR 473 Ca 0.63 -2.02 0.11 0.00 0.31 0.00 0.00 61.69 60.71 1b0r s THR 473 Cb -0.62 -1.84 -0.08 0.00 0.01 0.00 0.00 72.50 69.96 1b0r s THR 473 CO 0.59 -0.57 1.40 -0.08 -0.69 0.00 0.00 174.62 175.26 1b0r h GLU 474 N 2.91 0.00 0.00 4.92 4.81 -1.97 -3.34 114.58 121.91 1b0r h GLU 474 Ca -0.38 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 58.58 1b0r h GLU 474 Cb 1.20 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.54 1b0r h GLU 474 CO 0.59 0.76 -1.71 0.36 -0.73 0.00 0.00 179.01 178.28 1b0r n LYS 475 N -3.37 0.63 -1.81 1.92 0.00 -1.26 -4.88 118.16 109.39 1b0r n LYS 475 Ca 0.00 0.25 -0.42 0.00 -0.00 0.00 0.00 58.31 58.14 1b0r n LYS 475 Cb 0.81 -1.77 -0.03 0.00 -0.00 0.00 0.00 35.03 34.05 1b0r n LYS 475 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1b0r s ASP 476 N -5.94 6.43 0.15 -5.58 1.01 -1.26 -4.98 116.67 106.51 1b0r s ASP 476 Ca -0.05 2.38 -0.17 0.00 0.71 0.00 0.00 52.55 55.42 1b0r s ASP 476 Cb 0.08 -2.53 -0.07 0.00 1.01 0.00 0.00 42.92 41.41 1b0r s ASP 476 CO 0.82 -1.11 0.61 -1.83 0.21 0.00 0.00 175.17 173.88 1b0r s GLU 477 N 4.50 4.12 0.06 8.23 -1.05 -1.26 -4.79 118.70 128.52 1b0r s GLU 477 Ca 0.83 0.67 0.05 0.00 -0.15 0.00 0.00 54.97 56.38 1b0r s GLU 477 Cb -0.37 -2.99 -0.03 0.00 -0.44 0.00 0.00 34.13 30.30 1b0r s GLU 477 CO 0.36 0.49 -0.14 0.71 0.95 0.00 0.00 175.26 177.63 1b0r s TYR 478 N -1.40 1.22 0.30 4.83 2.02 -1.26 0.12 117.35 123.18 1b0r s TYR 478 Ca 0.37 -0.43 -0.09 0.00 -0.37 0.00 0.00 57.07 56.55 1b0r s TYR 478 Cb -0.17 -0.70 0.00 0.00 -0.40 0.00 0.00 41.96 40.70 1b0r s TYR 478 CO 0.20 0.05 0.50 0.00 -1.57 0.00 0.00 175.55 174.73 1b0r s ALA 479 N -1.18 0.16 -0.16 3.71 0.00 0.71 -0.42 121.76 124.58 1b0r s ALA 479 Ca -0.01 -1.15 -0.01 0.00 0.00 0.00 0.00 51.96 50.78 1b0r s ALA 479 Cb -0.09 1.07 0.05 0.00 0.00 0.00 0.00 23.12 24.14 1b0r s ALA 479 CO 0.02 -0.83 -0.01 0.00 0.00 0.00 0.00 175.76 174.94 1b0r s ARG 481 N 1.76 4.14 0.00 0.00 3.52 0.16 -1.85 118.95 126.69 1b0r s ARG 481 Ca 0.00 -0.17 0.05 0.00 -0.13 0.00 0.00 55.73 55.48 1b0r s ARG 481 Cb -0.16 -3.48 -0.01 0.00 -1.56 0.00 0.00 34.95 29.74 1b0r s ARG 481 CO -0.07 0.16 -0.15 0.08 -0.81 0.00 0.00 175.30 174.50 1b0r s VAL 482 N 0.76 1.21 -0.02 7.11 1.01 -0.36 -1.24 120.40 128.88 1b0r s VAL 482 Ca 0.10 -0.74 0.01 0.00 0.00 0.00 0.00 61.98 61.35 1b0r s VAL 482 Cb -0.13 -1.03 0.01 0.00 0.00 0.00 0.00 36.38 35.24 1b0r s VAL 482 CO 0.02 0.27 -0.04 0.21 0.00 0.00 0.00 175.10 175.56 1b0r s ASN 483 N -0.54 0.64 -0.01 3.32 2.47 -0.53 -0.27 114.94 120.03 1b0r s ASN 483 Ca 0.05 -0.09 -0.15 0.00 0.42 0.00 0.00 52.86 53.10 1b0r s ASN 483 Cb -0.06 -0.18 0.02 0.00 -1.45 0.00 0.00 41.25 39.58 1b0r s ASN 483 CO -0.00 0.01 0.31 -2.28 -3.72 0.00 0.00 177.10 171.41 1b0r s HIS 484 N 0.31 -0.16 -0.66 0.43 5.65 -1.26 -1.25 115.29 118.34 1b0r s HIS 484 Ca -0.03 0.21 0.00 0.00 0.25 0.00 0.00 55.06 55.49 1b0r s HIS 484 Cb -0.07 0.09 0.00 0.00 -1.18 0.00 0.00 32.58 31.42 1b0r s HIS 484 CO -0.00 -0.41 0.61 1.33 -0.65 0.00 0.00 174.74 175.62 1b0r n VAL 485 N 1.17 0.73 -0.38 0.89 0.24 -1.26 -0.16 118.33 119.56 1b0r n VAL 485 Ca -0.21 0.36 0.09 0.00 -2.04 0.00 0.00 64.34 62.53 1b0r n VAL 485 Cb 0.56 -1.36 0.25 0.00 -1.47 0.00 0.00 33.84 31.83 1b0r n VAL 485 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1b0r n THR 486 N -1.11 1.23 -4.65 3.34 -2.24 -1.26 -4.93 114.28 104.66 1b0r n THR 486 Ca 0.00 -1.10 -0.29 0.00 -2.27 0.00 0.00 64.05 60.39 1b0r n THR 486 Cb 0.17 0.38 -0.17 0.00 -2.10 0.00 0.00 70.33 68.62 1b0r n THR 486 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1b0r s LEU 487 N -1.28 1.82 0.52 3.22 1.43 0.77 -4.87 118.68 120.29 1b0r s LEU 487 Ca 0.38 -0.45 0.29 0.00 -1.03 0.00 0.00 54.13 53.32 1b0r s LEU 487 Cb 0.22 -1.14 1.34 0.00 0.03 0.00 0.00 46.19 46.64 1b0r s LEU 487 CO 0.23 0.05 2.00 0.77 0.23 0.00 0.00 176.35 179.63 1b0r h SER 488 N 7.19 0.00 -5.04 2.29 4.64 -1.91 -3.44 113.55 117.27 1b0r h SER 488 Ca -0.29 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.92 1b0r h SER 488 Cb 1.19 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 63.10 1b0r h SER 488 CO 0.49 0.12 -0.32 -1.10 -0.87 0.00 0.00 176.83 175.15 1b0r s GLN 489 N -3.88 0.72 -0.38 4.77 -0.21 -1.26 -5.11 119.66 114.31 1b0r s GLN 489 Ca -0.01 -0.47 -0.27 0.00 0.02 0.00 0.00 55.36 54.62 1b0r s GLN 489 Cb 0.11 0.31 -0.04 0.00 1.00 0.00 0.00 33.01 34.39 1b0r s GLN 489 CO 0.58 -0.21 2.11 -1.25 -2.12 0.00 0.00 175.29 174.39 1b0r s PRO 490 N -2.22 2.83 -0.11 2.91 0.04 -1.26 -4.91 135.00 132.28 1b0r s PRO 490 Ca -0.07 1.51 -0.30 0.00 0.04 0.00 0.00 61.00 62.18 1b0r s PRO 490 Cb -0.02 -4.39 -0.07 0.00 0.04 0.00 0.00 34.50 30.06 1b0r s PRO 490 CO -0.02 -2.45 2.10 1.17 0.04 0.00 0.00 177.00 177.85 1b0r n LYS 491 N 8.81 2.31 -3.74 4.56 3.00 0.63 -4.65 118.16 129.07 1b0r n LYS 491 Ca 0.29 0.75 -0.37 0.00 -0.00 0.00 0.00 58.31 58.97 1b0r n LYS 491 Cb 0.49 -3.08 -0.12 0.00 0.00 0.00 0.00 35.03 32.32 1b0r n LYS 491 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 1b0r s ILE 492 N 6.46 4.25 -0.15 3.15 1.01 -1.26 -1.22 121.20 133.43 1b0r s ILE 492 Ca 0.96 -0.39 -0.05 0.00 0.00 0.00 0.00 60.65 61.17 1b0r s ILE 492 Cb -0.42 -3.08 -0.03 0.00 0.01 0.00 0.00 42.46 38.93 1b0r s ILE 492 CO 0.40 0.21 0.01 -0.69 0.00 0.00 0.00 174.94 174.87 1b0r s VAL 493 N 1.58 4.36 0.24 2.92 1.01 -0.77 -4.94 120.40 124.80 1b0r s VAL 493 Ca 0.05 -0.19 -0.24 0.00 0.00 0.00 0.00 61.98 61.60 1b0r s VAL 493 Cb -0.16 -2.92 -0.09 0.00 0.00 0.00 0.00 36.38 33.21 1b0r s VAL 493 CO 0.04 0.50 0.82 -0.54 0.00 0.00 0.00 175.10 175.92 1b0r s LYS 494 N 0.13 4.47 -0.05 2.72 1.02 -1.26 -1.40 119.74 125.37 1b0r s LYS 494 Ca 0.02 1.12 -0.30 0.00 0.02 0.00 0.00 55.97 56.83 1b0r s LYS 494 Cb -0.13 -2.97 -0.04 0.00 -0.52 0.00 0.00 37.83 34.17 1b0r s LYS 494 CO 0.02 0.41 1.28 -0.46 -0.92 0.00 0.00 175.35 175.68 1b0r s TRP 495 N -1.44 3.03 -0.18 3.18 -0.00 0.44 -4.90 118.94 119.06 1b0r s TRP 495 Ca 0.43 1.04 0.01 0.00 -0.00 0.00 0.00 56.10 57.59 1b0r s TRP 495 Cb -0.19 -3.52 0.02 0.00 -0.00 0.00 0.00 33.47 29.78 1b0r s TRP 495 CO 0.24 -1.77 -0.19 0.34 -0.00 0.00 0.00 176.95 175.56 1b0r s ASP 496 N 1.69 3.14 0.00 5.86 2.15 -1.26 -4.74 116.67 123.51 1b0r s ASP 496 Ca 0.59 -0.66 0.11 0.00 0.43 0.00 0.00 52.55 53.01 1b0r s ASP 496 Cb -0.27 -1.46 0.63 0.00 -0.30 0.00 0.00 42.92 41.52 1b0r s ASP 496 CO 0.23 -0.01 1.08 -2.11 -0.17 0.00 0.00 175.17 174.19 1b0r n ARG 497 N 4.63 0.32 -0.08 4.34 1.85 -1.26 -2.12 116.66 124.34 1b0r n ARG 497 Ca -0.20 0.01 0.08 0.00 -1.00 0.00 0.00 57.85 56.73 1b0r n ARG 497 Cb 0.50 -1.50 0.12 0.00 -1.05 0.00 0.00 32.46 30.53 1b0r n ARG 497 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1b0r n ASP 498 N -1.02 2.38 0.00 2.89 8.00 -1.26 -4.85 116.55 122.69 1b0r n ASP 498 Ca 0.08 -2.84 0.00 0.00 0.71 0.00 0.00 54.79 52.74 1b0r n ASP 498 Cb 0.04 -0.34 0.00 0.00 -0.02 0.00 0.00 41.12 40.79 1b0r n ASP 498 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04