#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1whv s SER 424 N 0.00 5.25 -0.22 1.61 1.04 -1.26 -5.08 113.70 115.04 1whv s SER 424 Ca 0.00 -1.80 -0.10 0.00 0.48 0.00 0.00 55.95 54.53 1whv s SER 424 Cb 0.00 -1.83 -0.05 0.00 0.10 0.00 0.00 66.02 64.24 1whv s SER 424 CO 0.00 -0.49 0.14 -0.44 0.98 0.00 0.00 173.24 173.43 1whv s SER 425 N 1.76 6.12 0.12 7.02 0.01 -1.26 -4.89 113.70 122.59 1whv s SER 425 Ca 0.05 0.17 0.00 0.00 1.31 0.00 0.00 55.95 57.47 1whv s SER 425 Cb -0.22 -2.09 0.00 0.00 0.21 0.00 0.00 66.02 63.92 1whv s SER 425 CO -0.03 0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.36 1whv n GLY 426 N 3.86 -1.39 3.38 3.44 0.00 -1.26 -5.13 105.19 108.09 1whv n GLY 426 Ca -0.16 0.31 -0.03 0.00 0.00 0.00 0.00 46.02 46.14 1whv n GLY 426 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1whv s SER 427 N -2.10 -0.79 -0.09 1.61 1.04 -1.26 -5.14 113.70 106.97 1whv s SER 427 Ca 0.00 1.15 -0.02 0.00 0.48 0.00 0.00 55.95 57.56 1whv s SER 427 Cb 0.00 1.89 0.04 0.00 0.10 0.00 0.00 66.02 68.04 1whv s SER 427 CO 0.00 -0.24 0.03 -0.44 0.98 0.00 0.00 173.24 173.57 1whv s SER 428 N 2.77 1.72 0.24 7.02 0.01 -1.26 -5.11 113.70 119.09 1whv s SER 428 Ca 0.02 -0.19 0.00 0.00 1.31 0.00 0.00 55.95 57.09 1whv s SER 428 Cb -0.13 -0.37 0.00 0.00 0.21 0.00 0.00 66.02 65.73 1whv s SER 428 CO -0.17 -0.24 0.00 0.61 0.41 0.00 0.00 173.24 173.85 1whv n GLY 429 N 5.18 -1.30 0.00 3.44 0.00 -1.26 -4.98 105.19 106.27 1whv n GLY 429 Ca -0.06 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.25 1whv n GLY 429 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1whv n GLY 430 N -3.01 1.22 0.00 -0.02 0.00 -1.26 -4.88 105.19 97.24 1whv n GLY 430 Ca -0.00 -0.29 0.07 0.00 0.00 0.00 0.00 46.02 45.79 1whv n GLY 430 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1whv n PRO 431 N 0.00 0.49 -1.72 1.61 -0.04 -1.26 -4.78 135.00 129.30 1whv n PRO 431 Ca 0.00 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.17 1whv n PRO 431 Cb 0.00 -1.43 0.13 0.00 -0.04 0.00 0.00 33.50 32.17 1whv n PRO 431 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1whv s ASP 432 N -1.93 3.68 -0.43 3.54 -1.08 -1.26 -5.00 116.67 114.19 1whv s ASP 432 Ca 0.20 0.76 -0.24 0.00 -0.52 0.00 0.00 52.55 52.75 1whv s ASP 432 Cb 0.09 -1.20 0.02 0.00 -1.46 0.00 0.00 42.92 40.38 1whv s ASP 432 CO 0.15 -2.42 0.84 -0.76 0.52 0.00 0.00 175.17 173.50 1whv s LEU 433 N -5.89 4.13 0.13 -1.34 1.43 -1.26 -5.04 118.68 110.85 1whv s LEU 433 Ca 0.65 0.10 0.09 0.00 -1.03 0.00 0.00 54.13 53.94 1whv s LEU 433 Cb -0.11 -3.07 -0.04 0.00 0.03 0.00 0.00 46.19 43.00 1whv s LEU 433 CO 0.52 -0.92 -0.18 -1.10 0.23 0.00 0.00 176.35 174.90 1whv s GLN 434 N 3.41 1.78 0.69 1.70 -0.21 -1.26 -5.13 119.66 120.64 1whv s GLN 434 Ca 0.33 -1.22 -0.14 0.00 0.02 0.00 0.00 55.36 54.35 1whv s GLN 434 Cb -0.12 -2.09 0.02 0.00 1.00 0.00 0.00 33.01 31.82 1whv s GLN 434 CO 0.22 0.47 1.10 -1.25 -2.12 0.00 0.00 175.29 173.72 1whv s PRO 435 N -2.25 2.63 -0.59 2.91 0.04 -1.26 -4.95 135.00 131.53 1whv s PRO 435 Ca 0.19 1.32 -0.02 0.00 0.04 0.00 0.00 61.00 62.53 1whv s PRO 435 Cb -0.10 -1.93 0.37 0.00 0.04 0.00 0.00 34.50 32.87 1whv s PRO 435 CO 0.10 -1.37 2.07 1.63 0.04 0.00 0.00 177.00 179.47 1whv n LYS 436 N -2.76 2.46 -1.61 4.56 4.01 -1.26 -4.78 118.16 118.78 1whv n LYS 436 Ca 0.10 -2.84 -0.25 0.00 -0.51 0.00 0.00 58.31 54.81 1whv n LYS 436 Cb 0.52 -2.11 -0.09 0.00 -0.51 0.00 0.00 35.03 32.84 1whv n LYS 436 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1whv n ARG 437 N -0.49 0.80 -0.04 1.97 1.74 -1.26 -4.65 116.66 114.72 1whv n ARG 437 Ca 0.53 -1.94 -0.00 0.00 -0.77 0.00 0.00 57.85 55.67 1whv n ARG 437 Cb 0.60 -3.62 -0.00 0.00 -1.02 0.00 0.00 32.46 28.41 1whv n ARG 437 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 1whv h ASP 438 N 10.39 0.00 -1.56 0.55 3.32 -2.00 -3.33 116.42 123.79 1whv h ASP 438 Ca 0.15 0.00 0.47 0.00 0.02 0.00 0.00 57.03 57.67 1whv h ASP 438 Cb 0.91 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.37 1whv h ASP 438 CO 1.29 0.44 1.09 1.12 -1.72 0.00 0.00 179.24 181.45 1whv h HIS 439 N -0.85 0.20 -3.55 4.55 2.07 -1.86 -3.39 115.15 112.32 1whv h HIS 439 Ca 0.00 0.01 -0.52 0.00 -2.85 0.00 0.00 60.37 57.01 1whv h HIS 439 Cb 0.02 -0.05 0.01 0.00 2.57 0.00 0.00 27.41 29.96 1whv h HIS 439 CO -0.01 -0.07 0.50 0.08 -3.07 0.00 0.00 177.93 175.36 1whv s VAL 440 N -5.05 3.80 -0.07 6.12 1.01 -1.25 -0.31 120.40 124.65 1whv s VAL 440 Ca -0.06 1.54 0.01 0.00 0.00 0.00 0.00 61.98 63.48 1whv s VAL 440 Cb 0.27 -3.98 0.02 0.00 0.00 0.00 0.00 36.38 32.68 1whv s VAL 440 CO 0.85 0.26 -0.09 -0.76 0.00 0.00 0.00 175.10 175.36 1whv s LEU 441 N -0.34 1.45 -0.51 3.92 1.43 0.17 -3.88 118.68 120.93 1whv s LEU 441 Ca 0.50 -0.26 -0.25 0.00 -1.03 0.00 0.00 54.13 53.09 1whv s LEU 441 Cb -0.30 -0.74 0.03 0.00 0.03 0.00 0.00 46.19 45.21 1whv s LEU 441 CO 0.35 -0.02 0.95 -2.28 0.23 0.00 0.00 176.35 175.58 1whv s HIS 442 N 0.98 2.85 -0.20 0.29 5.65 0.90 -1.01 115.29 124.75 1whv s HIS 442 Ca -0.09 0.23 -0.02 0.00 0.25 0.00 0.00 55.06 55.42 1whv s HIS 442 Cb -0.15 -4.05 -0.00 0.00 -1.18 0.00 0.00 32.58 27.20 1whv s HIS 442 CO 0.00 -1.24 -0.08 0.08 -0.65 0.00 0.00 174.74 172.85 1whv s VAL 443 N 3.92 3.08 -0.49 0.89 1.01 -1.25 -0.20 120.40 127.36 1whv s VAL 443 Ca 0.35 -0.60 -0.17 0.00 0.00 0.00 0.00 61.98 61.56 1whv s VAL 443 Cb -0.11 -2.37 0.07 0.00 0.00 0.00 0.00 36.38 33.97 1whv s VAL 443 CO 0.23 0.46 0.47 0.42 0.00 0.00 0.00 175.10 176.68 1whv s THR 444 N 1.31 5.13 0.15 3.92 -4.23 -0.86 -3.66 115.64 117.39 1whv s THR 444 Ca 0.04 -0.93 0.09 0.00 -1.18 0.00 0.00 61.69 59.70 1whv s THR 444 Cb -0.14 -4.19 -0.04 0.00 1.34 0.00 0.00 72.50 69.47 1whv s THR 444 CO -0.04 -0.66 -0.20 0.72 -0.54 0.00 0.00 174.62 173.90 1whv s PHE 445 N 1.92 1.85 0.43 3.99 -0.12 -1.24 -4.02 117.98 120.80 1whv s PHE 445 Ca 0.07 -0.44 -0.24 0.00 -0.05 0.00 0.00 56.93 56.27 1whv s PHE 445 Cb -0.23 -0.95 -0.08 0.00 -0.63 0.00 0.00 43.02 41.13 1whv s PHE 445 CO 0.08 0.30 1.18 -1.25 -0.05 0.00 0.00 175.22 175.48 1whv s PRO 446 N -2.49 3.88 0.34 1.99 0.04 -1.26 -4.58 135.00 132.92 1whv s PRO 446 Ca 0.13 1.82 0.13 0.00 0.04 0.00 0.00 61.00 63.12 1whv s PRO 446 Cb -0.07 -2.53 0.99 0.00 0.04 0.00 0.00 34.50 32.93 1whv s PRO 446 CO 0.06 -0.46 1.72 1.57 0.04 0.00 0.00 177.00 179.93 1whv h LYS 447 N 2.31 0.46 -1.38 4.56 2.10 -1.86 0.25 116.57 123.01 1whv h LYS 447 Ca -0.49 -0.03 0.40 0.00 -2.00 0.00 0.00 60.65 58.53 1whv h LYS 447 Cb 1.24 -0.10 -0.06 0.00 -0.90 0.00 0.00 32.23 32.41 1whv h LYS 447 CO 0.61 0.31 1.15 1.05 -2.00 0.00 0.00 179.45 180.56 1whv h GLU 448 N 0.48 0.00 0.00 0.07 4.11 -1.91 -3.40 114.58 113.93 1whv h GLU 448 Ca 0.66 0.00 -0.31 0.00 0.07 0.00 0.00 59.36 59.78 1whv h GLU 448 Cb 1.42 0.00 0.17 0.00 0.50 0.00 0.00 28.75 30.84 1whv h GLU 448 CO -0.46 0.00 -0.01 0.91 0.07 0.00 0.00 179.01 179.52 1whv n TRP 449 N -3.76 -3.63 -3.83 2.06 7.02 0.86 -5.08 117.44 111.07 1whv n TRP 449 Ca 0.31 -0.76 -0.08 0.00 -1.02 0.00 0.00 57.50 55.95 1whv n TRP 449 Cb 1.57 -0.98 0.00 0.00 -2.42 0.00 0.00 31.31 29.49 1whv n TRP 449 CO 0.00 0.00 0.00 -1.59 -2.02 0.00 0.00 177.69 174.08 1whv s LYS 450 N -4.90 2.05 0.45 -0.99 -2.85 -1.26 -5.01 119.74 107.23 1whv s LYS 450 Ca 0.57 -1.26 0.13 0.00 -1.00 0.00 0.00 55.97 54.41 1whv s LYS 450 Cb -0.07 0.62 1.07 0.00 -2.06 0.00 0.00 37.83 37.38 1whv s LYS 450 CO 0.45 -0.95 2.04 1.15 0.10 0.00 0.00 175.35 178.15 1whv h THR 451 N 2.00 0.96 -0.19 3.79 2.02 -1.98 -0.77 112.91 118.75 1whv h THR 451 Ca -0.27 -0.11 -0.11 0.00 0.77 0.00 0.00 66.41 66.69 1whv h THR 451 Cb 1.25 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 68.26 1whv h THR 451 CO 0.33 0.06 -0.34 0.28 0.37 0.00 0.00 175.52 176.22 1whv h SER 452 N 0.33 0.40 -0.20 4.18 0.02 -1.99 -2.05 113.55 114.24 1whv h SER 452 Ca 0.18 -0.16 -0.10 0.00 -0.84 0.00 0.00 61.79 60.88 1whv h SER 452 Cb 0.30 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 62.72 1whv h SER 452 CO -0.04 0.72 -0.26 -0.78 -1.14 0.00 0.00 176.83 175.34 1whv h ASP 453 N 0.33 0.57 0.58 3.07 1.82 -1.55 -1.01 116.42 120.24 1whv h ASP 453 Ca 0.04 -0.50 -0.03 0.00 -0.39 0.00 0.00 57.03 56.15 1whv h ASP 453 Cb 0.77 -0.16 0.01 0.00 0.68 0.00 0.00 39.33 40.62 1whv h ASP 453 CO 0.06 0.96 -0.28 -0.07 -1.61 0.00 0.00 179.24 178.30 1whv h LEU 454 N 0.19 -0.66 -1.03 2.28 -0.00 -1.35 0.22 115.31 114.97 1whv h LEU 454 Ca 0.02 -0.02 0.04 0.00 -0.00 0.00 0.00 57.88 57.92 1whv h LEU 454 Cb 0.82 0.17 -0.06 0.00 -0.00 0.00 0.00 40.66 41.60 1whv h LEU 454 CO 0.06 -0.39 0.65 1.88 -0.00 0.00 0.00 178.44 180.64 1whv h TYR 455 N -0.91 1.22 0.30 1.13 0.05 -1.46 -0.98 116.97 116.31 1whv h TYR 455 Ca -0.08 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.72 1whv h TYR 455 Cb 0.64 -0.41 0.00 0.00 1.01 0.00 0.00 36.73 37.98 1whv h TYR 455 CO -0.01 0.71 -0.14 1.96 -1.05 0.00 0.00 178.16 179.62 1whv h GLN 456 N 1.26 -0.39 -0.19 4.88 1.08 -1.07 1.80 115.11 122.48 1whv h GLN 456 Ca 0.39 0.03 0.04 0.00 -1.45 0.00 0.00 58.65 57.66 1whv h GLN 456 Cb -0.00 0.09 -0.04 0.00 -0.05 0.00 0.00 27.48 27.48 1whv h GLN 456 CO -0.12 -0.17 -0.05 1.25 -0.95 0.00 0.00 178.83 178.79 1whv h LEU 457 N -0.54 -0.18 -0.06 1.46 5.85 -0.69 -1.31 115.31 119.84 1whv h LEU 457 Ca -0.04 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1whv h LEU 457 Cb 0.40 0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.55 1whv h LEU 457 CO 0.07 -0.06 0.00 0.49 -0.34 0.00 0.00 178.44 178.59 1whv n PHE 458 N -5.19 0.87 -0.52 1.25 3.01 -0.40 -3.90 117.46 112.58 1whv n PHE 458 Ca -0.03 0.26 0.40 0.00 1.01 0.00 0.00 57.45 59.10 1whv n PHE 458 Cb 0.12 -0.93 0.64 0.00 -0.01 0.00 0.00 39.48 39.30 1whv n PHE 458 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1whv n SER 459 N -2.22 0.05 -0.32 4.37 2.88 0.61 0.19 113.62 119.18 1whv n SER 459 Ca 0.05 0.90 0.12 0.00 -1.33 0.00 0.00 58.87 58.62 1whv n SER 459 Cb 0.41 -0.45 0.26 0.00 -0.75 0.00 0.00 64.21 63.68 1whv n SER 459 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1whv h ALA 460 N 0.95 1.10 0.00 -1.46 0.00 -1.73 -2.13 119.26 115.98 1whv h ALA 460 Ca 0.75 0.31 -0.01 0.00 0.00 0.00 0.00 54.91 55.97 1whv h ALA 460 Cb 2.86 0.53 -0.00 0.00 0.00 0.00 0.00 17.79 21.19 1whv h ALA 460 CO -0.12 -0.53 -0.05 0.74 0.00 0.00 0.00 179.25 179.29 1whv h PHE 461 N 0.05 0.00 0.00 0.00 0.04 -0.60 -3.51 116.94 112.92 1whv h PHE 461 Ca 0.56 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.33 1whv h PHE 461 Cb 1.11 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.26 1whv h PHE 461 CO -0.46 0.48 0.00 0.41 -0.60 0.00 0.00 178.31 178.14 1whv n GLY 462 N 1.69 0.78 3.69 -1.45 0.00 -0.80 -5.07 105.19 104.03 1whv n GLY 462 Ca -0.05 -1.87 -0.58 0.00 0.00 0.00 0.00 46.02 43.51 1whv n GLY 462 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1whv n ASN 463 N 0.00 2.02 -4.22 1.61 6.94 -1.26 -4.72 115.26 115.62 1whv n ASN 463 Ca 0.00 1.10 -0.13 0.00 -0.02 0.00 0.00 54.58 55.53 1whv n ASN 463 Cb 0.00 -1.10 -0.10 0.00 -2.36 0.00 0.00 39.78 36.22 1whv n ASN 463 CO 0.00 0.00 0.00 0.27 -1.03 0.00 0.00 177.26 176.50 1whv s ILE 464 N 2.92 0.17 -0.44 1.53 -4.36 -1.26 -4.90 121.20 114.85 1whv s ILE 464 Ca 0.97 -1.99 -0.12 0.00 -0.26 0.00 0.00 60.65 59.26 1whv s ILE 464 Cb -1.13 -2.45 0.08 0.00 1.25 0.00 0.00 42.46 40.22 1whv s ILE 464 CO 0.65 -0.09 0.32 -1.58 0.24 0.00 0.00 174.94 174.48 1whv s GLN 465 N -4.10 2.74 -0.55 0.37 0.74 -1.20 -5.02 119.66 112.63 1whv s GLN 465 Ca 0.36 -1.45 -0.20 0.00 0.05 0.00 0.00 55.36 54.12 1whv s GLN 465 Cb 0.07 -3.93 0.07 0.00 1.10 0.00 0.00 33.01 30.33 1whv s GLN 465 CO 0.10 -1.01 0.71 0.42 -0.55 0.00 0.00 175.29 174.97 1whv s ILE 466 N 1.50 4.76 -0.18 -2.34 1.01 -1.26 -1.69 121.20 122.99 1whv s ILE 466 Ca 0.04 -0.57 -0.25 0.00 0.00 0.00 0.00 60.65 59.86 1whv s ILE 466 Cb -0.24 -4.42 -0.01 0.00 0.01 0.00 0.00 42.46 37.80 1whv s ILE 466 CO 0.03 -0.99 0.85 -0.44 0.00 0.00 0.00 174.94 174.39 1whv s SER 467 N 3.09 6.95 -0.42 3.58 0.01 -0.25 -4.90 113.70 121.76 1whv s SER 467 Ca 0.16 1.17 -0.19 0.00 1.31 0.00 0.00 55.95 58.40 1whv s SER 467 Cb -0.20 -2.46 0.02 0.00 0.21 0.00 0.00 66.02 63.59 1whv s SER 467 CO 0.11 -0.44 0.54 0.26 0.41 0.00 0.00 173.24 174.12 1whv s TRP 468 N 2.34 3.12 -0.13 2.43 0.52 -1.26 0.62 118.94 126.58 1whv s TRP 468 Ca 0.38 -0.14 -0.08 0.00 0.02 0.00 0.00 56.10 56.28 1whv s TRP 468 Cb -0.16 -3.10 -0.03 0.00 -1.15 0.00 0.00 33.47 29.03 1whv s TRP 468 CO 0.11 -0.75 -0.15 0.82 0.02 0.00 0.00 176.95 177.00 1whv h ILE 469 N 5.78 0.00 -3.83 2.03 2.04 -1.83 -3.49 117.51 118.20 1whv h ILE 469 Ca -0.26 -0.95 -0.27 0.00 1.00 0.00 0.00 64.86 64.37 1whv h ILE 469 Cb 1.11 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 37.12 1whv h ILE 469 CO 0.83 0.00 -0.23 -0.67 0.00 0.00 0.00 178.15 178.08 1whv n ASP 470 N -4.52 0.84 0.00 1.72 2.03 0.25 -4.98 116.55 111.89 1whv n ASP 470 Ca -0.06 -2.08 0.11 0.00 0.52 0.00 0.00 54.79 53.28 1whv n ASP 470 Cb 0.23 0.57 0.59 0.00 -0.72 0.00 0.00 41.12 41.79 1whv n ASP 470 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1whv n ASP 471 N -1.89 0.00 0.00 1.67 9.92 -1.26 -3.71 116.55 121.28 1whv n ASP 471 Ca -0.02 -0.17 0.00 0.00 -0.53 0.00 0.00 54.79 54.07 1whv n ASP 471 Cb 0.30 -0.23 0.00 0.00 -0.64 0.00 0.00 41.12 40.56 1whv n ASP 471 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 1whv n THR 472 N -1.23 0.00 -3.73 -3.53 -2.24 -1.26 -3.92 114.28 98.37 1whv n THR 472 Ca 0.12 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.53 1whv n THR 472 Cb 0.16 -0.33 -0.06 0.00 -2.10 0.00 0.00 70.33 67.99 1whv n THR 472 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1whv s SER 473 N -2.27 6.55 0.18 3.42 1.04 -1.24 -3.61 113.70 117.76 1whv s SER 473 Ca 0.00 0.66 0.03 0.00 0.48 0.00 0.00 55.95 57.12 1whv s SER 473 Cb 0.00 -2.14 -0.01 0.00 0.10 0.00 0.00 66.02 63.97 1whv s SER 473 CO 0.00 0.37 0.18 0.00 0.98 0.00 0.00 173.24 174.77 1whv n ALA 474 N 1.96 0.25 -3.08 5.32 0.00 -1.24 -0.58 120.51 123.14 1whv n ALA 474 Ca -0.18 -1.02 -0.11 0.00 0.00 0.00 0.00 53.44 52.13 1whv n ALA 474 Cb 0.54 0.83 -0.10 0.00 0.00 0.00 0.00 19.45 20.72 1whv n ALA 474 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1whv s PHE 475 N -3.01 0.05 -0.25 0.00 0.08 0.20 -3.95 117.98 111.09 1whv s PHE 475 Ca 0.20 -0.12 -0.02 0.00 0.12 0.00 0.00 56.93 57.11 1whv s PHE 475 Cb 0.01 -0.05 0.08 0.00 -0.57 0.00 0.00 43.02 42.48 1whv s PHE 475 CO 0.14 -0.25 0.06 0.08 -0.10 0.00 0.00 175.22 175.15 1whv s VAL 476 N -1.23 0.73 0.04 -0.44 1.01 -0.18 -1.09 120.40 119.25 1whv s VAL 476 Ca -0.13 -0.98 -0.10 0.00 0.00 0.00 0.00 61.98 60.77 1whv s VAL 476 Cb -0.07 -1.37 -0.05 0.00 0.00 0.00 0.00 36.38 34.89 1whv s VAL 476 CO 0.01 -0.42 0.36 -0.55 0.00 0.00 0.00 175.10 174.50 1whv s SER 477 N 1.73 6.63 0.44 3.32 0.15 -0.68 0.46 113.70 125.74 1whv s SER 477 Ca 0.04 0.76 0.07 0.00 0.70 0.00 0.00 55.95 57.51 1whv s SER 477 Cb -0.17 -2.17 -0.03 0.00 -1.71 0.00 0.00 66.02 61.94 1whv s SER 477 CO -0.17 0.23 0.25 -0.76 1.20 0.00 0.00 173.24 173.99 1whv s LEU 478 N -1.70 3.08 -0.11 3.45 1.43 0.58 -3.25 118.68 122.16 1whv s LEU 478 Ca 0.29 -1.05 -0.17 0.00 -1.03 0.00 0.00 54.13 52.17 1whv s LEU 478 Cb -0.14 -1.51 -0.27 0.00 0.03 0.00 0.00 46.19 44.30 1whv s LEU 478 CO 0.16 -0.67 0.55 -1.28 0.23 0.00 0.00 176.35 175.34 1whv h SER 479 N 1.23 0.34 -3.82 2.29 0.87 -1.90 -3.45 113.55 109.11 1whv h SER 479 Ca -0.42 -0.84 -0.68 0.00 -1.23 0.00 0.00 61.79 58.63 1whv h SER 479 Cb 1.27 -0.11 -0.20 0.00 -0.44 0.00 0.00 62.40 62.92 1whv h SER 479 CO 0.65 1.58 -0.81 -1.10 -0.53 0.00 0.00 176.83 176.62 1whv s GLN 480 N -2.46 1.80 0.34 2.24 -0.21 -1.26 -5.03 119.66 115.07 1whv s GLN 480 Ca -0.20 -1.16 0.13 0.00 0.02 0.00 0.00 55.36 54.15 1whv s GLN 480 Cb 0.04 -2.10 0.59 0.00 1.00 0.00 0.00 33.01 32.54 1whv s GLN 480 CO 0.75 0.49 1.74 -1.00 -2.12 0.00 0.00 175.29 175.15 1whv h PRO 481 N 3.95 0.00 -0.23 2.91 0.13 -1.96 -3.18 132.00 133.61 1whv h PRO 481 Ca -0.49 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.66 1whv h PRO 481 Cb 1.16 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.27 1whv h PRO 481 CO 0.45 0.47 0.08 0.93 -0.23 0.00 0.00 178.00 179.70 1whv h GLU 482 N 0.00 0.18 -0.69 0.86 4.39 -2.00 -2.52 114.58 114.79 1whv h GLU 482 Ca -0.00 -0.01 0.14 0.00 0.34 0.00 0.00 59.36 59.82 1whv h GLU 482 Cb 0.85 -0.04 -0.10 0.00 -0.10 0.00 0.00 28.75 29.36 1whv h GLU 482 CO 0.06 0.12 0.19 1.96 -1.16 0.00 0.00 179.01 180.18 1whv h GLN 483 N 0.18 0.31 -0.93 2.33 1.08 -1.99 -1.70 115.11 114.40 1whv h GLN 483 Ca 0.10 -0.02 0.18 0.00 -1.45 0.00 0.00 58.65 57.47 1whv h GLN 483 Cb 0.07 -0.07 -0.17 0.00 -0.05 0.00 0.00 27.48 27.26 1whv h GLN 483 CO -0.11 0.20 -0.24 0.28 -0.95 0.00 0.00 178.83 178.02 1whv n VAL 484 N -5.10 -0.39 -0.14 -0.54 0.31 -0.95 -0.14 118.33 111.37 1whv n VAL 484 Ca 0.12 2.12 -0.10 0.00 -0.01 0.00 0.00 64.34 66.48 1whv n VAL 484 Cb 0.39 -2.93 -0.05 0.00 -0.91 0.00 0.00 33.84 30.34 1whv n VAL 484 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 1whv h GLN 485 N 0.00 -0.30 -0.50 5.55 1.08 -1.39 -0.53 115.11 119.02 1whv h GLN 485 Ca 0.44 0.02 0.04 0.00 -1.45 0.00 0.00 58.65 57.70 1whv h GLN 485 Cb 0.67 0.07 -0.04 0.00 -0.05 0.00 0.00 27.48 28.13 1whv h GLN 485 CO -0.95 -0.20 0.25 0.82 -0.95 0.00 0.00 178.83 177.80 1whv h ILE 486 N -0.31 0.96 -0.95 2.54 5.03 -0.65 0.19 117.51 124.32 1whv h ILE 486 Ca 0.14 -0.17 0.17 0.00 -0.12 0.00 0.00 64.86 64.88 1whv h ILE 486 Cb 0.58 0.42 -0.10 0.00 -3.03 0.00 0.00 36.82 34.69 1whv h ILE 486 CO -0.60 0.09 0.55 0.00 -0.68 0.00 0.00 178.15 177.51 1whv h ALA 487 N 1.27 1.51 0.06 1.87 0.00 -0.16 0.16 119.26 123.98 1whv h ALA 487 Ca 0.22 0.08 -0.13 0.00 0.00 0.00 0.00 54.91 55.08 1whv h ALA 487 Cb 0.13 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.86 1whv h ALA 487 CO -0.15 -0.04 -0.55 0.28 0.00 0.00 0.00 179.25 178.79 1whv h VAL 488 N 0.73 1.54 -0.73 0.00 2.07 -0.38 -2.74 116.25 116.75 1whv h VAL 488 Ca 0.53 -2.30 0.11 0.00 0.82 0.00 0.00 66.70 65.86 1whv h VAL 488 Cb 0.78 3.02 -0.05 0.00 -1.52 0.00 0.00 31.29 33.51 1whv h VAL 488 CO -0.37 0.64 0.48 0.78 0.02 0.00 0.00 177.57 179.13 1whv h ASN 489 N -0.42 0.52 1.22 0.57 2.35 0.01 0.17 115.58 120.00 1whv h ASN 489 Ca -0.09 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.68 1whv h ASN 489 Cb 1.36 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 39.64 1whv h ASN 489 CO 0.10 0.30 -0.27 0.35 -1.65 0.00 0.00 177.43 176.27 1whv n THR 490 N -4.49 0.51 0.10 2.81 -2.24 0.50 -3.52 114.28 107.95 1whv n THR 490 Ca 0.13 -0.29 -0.02 0.00 -2.27 0.00 0.00 64.05 61.60 1whv n THR 490 Cb 0.38 -0.39 -0.03 0.00 -2.10 0.00 0.00 70.33 68.19 1whv n THR 490 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1whv h SER 491 N 0.00 0.00 -0.23 3.42 4.64 -0.35 -3.07 113.55 117.96 1whv h SER 491 Ca 0.00 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.36 1whv h SER 491 Cb 0.75 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.77 1whv h SER 491 CO 0.00 0.74 -0.49 0.11 -0.87 0.00 0.00 176.83 176.31 1whv h LYS 492 N 0.00 -0.47 -0.16 4.77 1.57 -1.46 -2.60 116.57 118.22 1whv h LYS 492 Ca -0.01 0.03 -0.14 0.00 -1.87 0.00 0.00 60.65 58.67 1whv h LYS 492 Cb 1.55 0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.97 1whv h LYS 492 CO 0.10 -0.31 -0.43 0.10 -0.57 0.00 0.00 179.45 178.33 1whv h TYR 493 N -0.48 0.74 -1.07 -1.35 -0.00 -1.78 -3.44 116.97 109.59 1whv h TYR 493 Ca 0.07 -0.29 -0.74 0.00 0.00 0.00 0.00 58.73 57.77 1whv h TYR 493 Cb 0.64 -0.13 -0.01 0.00 0.00 0.00 0.00 36.73 37.23 1whv h TYR 493 CO -0.59 1.05 1.11 0.00 -0.00 0.00 0.00 178.16 179.73 1whv n ALA 494 N -2.53 0.15 -0.11 0.10 0.00 -0.98 -4.83 120.51 112.31 1whv n ALA 494 Ca -0.07 0.23 -0.21 0.00 0.00 0.00 0.00 53.44 53.39 1whv n ALA 494 Cb 0.56 -2.26 -0.12 0.00 0.00 0.00 0.00 19.45 17.63 1whv n ALA 494 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1whv n GLU 495 N 6.48 0.65 -0.22 0.00 1.02 -1.26 -4.47 120.64 122.84 1whv n GLU 495 Ca 0.37 0.22 -0.00 0.00 -0.02 0.00 0.00 57.16 57.72 1whv n GLU 495 Cb 0.11 -1.56 0.07 0.00 -0.02 0.00 0.00 31.44 30.03 1whv n GLU 495 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 1whv h SER 496 N -0.24 -0.60 -2.92 1.62 0.02 -1.97 -3.41 113.55 106.05 1whv h SER 496 Ca -0.57 0.19 -0.63 0.00 -0.84 0.00 0.00 61.79 59.95 1whv h SER 496 Cb 1.83 0.40 -0.15 0.00 0.14 0.00 0.00 62.40 64.62 1whv h SER 496 CO -0.13 -0.21 -0.75 -0.72 -1.14 0.00 0.00 176.83 173.87 1whv s TYR 497 N -6.23 2.50 -0.18 3.45 -0.85 -1.26 -4.95 117.35 109.82 1whv s TYR 497 Ca -0.14 -0.27 -0.00 0.00 -0.52 0.00 0.00 57.07 56.13 1whv s TYR 497 Cb 0.20 -1.21 0.04 0.00 0.38 0.00 0.00 41.96 41.37 1whv s TYR 497 CO 0.74 0.54 -0.06 0.50 -1.52 0.00 0.00 175.55 175.75 1whv s ARG 498 N -2.91 1.55 -0.03 -3.49 3.52 -1.26 -4.79 118.95 111.54 1whv s ARG 498 Ca 0.25 -0.63 -0.02 0.00 -0.13 0.00 0.00 55.73 55.19 1whv s ARG 498 Cb -0.08 -2.16 -0.04 0.00 -1.56 0.00 0.00 34.95 31.12 1whv s ARG 498 CO 0.14 -0.46 0.12 0.42 -0.81 0.00 0.00 175.30 174.71 1whv s ILE 499 N 1.57 5.06 0.12 4.11 1.01 -1.26 -2.04 121.20 129.77 1whv s ILE 499 Ca -0.00 -0.23 -0.07 0.00 0.00 0.00 0.00 60.65 60.35 1whv s ILE 499 Cb -0.16 -3.31 -0.01 0.00 0.01 0.00 0.00 42.46 38.99 1whv s ILE 499 CO -0.08 0.39 0.19 -1.58 0.00 0.00 0.00 174.94 173.87 1whv s GLN 500 N -1.66 0.95 0.12 2.79 0.74 0.72 -4.95 119.66 118.36 1whv s GLN 500 Ca 0.23 -1.12 -0.30 0.00 0.05 0.00 0.00 55.36 54.22 1whv s GLN 500 Cb -0.12 0.33 -0.06 0.00 1.10 0.00 0.00 33.01 34.26 1whv s GLN 500 CO 0.14 -0.31 1.04 0.95 -0.55 0.00 0.00 175.29 176.56 1whv s THR 501 N -3.93 4.25 0.22 -0.34 -4.23 -1.26 -0.07 115.64 110.28 1whv s THR 501 Ca 0.12 1.83 -0.18 0.00 -1.18 0.00 0.00 61.69 62.29 1whv s THR 501 Cb 0.05 -4.17 0.22 0.00 1.34 0.00 0.00 72.50 69.94 1whv s THR 501 CO -0.05 0.27 1.56 0.22 -0.54 0.00 0.00 174.62 176.08 1whv h TYR 502 N 5.64 -0.99 -0.79 3.99 3.20 -1.72 0.51 116.97 126.82 1whv h TYR 502 Ca -0.43 0.09 0.16 0.00 3.14 0.00 0.00 58.73 61.69 1whv h TYR 502 Cb 1.21 0.56 -0.10 0.00 1.54 0.00 0.00 36.73 39.94 1whv h TYR 502 CO 0.64 -0.40 0.32 0.00 -1.64 0.00 0.00 178.16 177.09 1whv h ALA 503 N 1.32 1.15 -0.52 1.82 0.00 -1.86 0.60 119.26 121.77 1whv h ALA 503 Ca 0.32 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.35 1whv h ALA 503 Cb 0.59 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1whv h ALA 503 CO -0.90 -0.24 0.28 0.93 0.00 0.00 0.00 179.25 179.33 1whv h GLU 504 N 0.44 0.72 0.55 0.00 4.39 -0.40 0.27 114.58 120.55 1whv h GLU 504 Ca 0.45 -0.09 -0.03 0.00 0.34 0.00 0.00 59.36 60.03 1whv h GLU 504 Cb 0.72 -0.14 0.01 0.00 -0.10 0.00 0.00 28.75 29.24 1whv h GLU 504 CO -0.44 0.57 -0.27 -0.92 -1.16 0.00 0.00 179.01 176.79 1whv h TYR 505 N 0.69 -0.69 -0.57 4.33 3.20 0.08 -3.24 116.97 120.78 1whv h TYR 505 Ca 0.18 -0.02 0.11 0.00 3.14 0.00 0.00 58.73 62.15 1whv h TYR 505 Cb 0.05 0.23 -0.10 0.00 1.54 0.00 0.00 36.73 38.46 1whv h TYR 505 CO -0.02 -0.43 -0.01 -0.39 -1.64 0.00 0.00 178.16 175.68 1whv h VAL 506 N -0.88 0.53 -0.82 1.81 -1.51 -0.99 -2.16 116.25 112.24 1whv h VAL 506 Ca -0.08 -0.04 0.10 0.00 -1.23 0.00 0.00 66.70 65.46 1whv h VAL 506 Cb 0.57 0.42 -0.12 0.00 -2.13 0.00 0.00 31.29 30.03 1whv h VAL 506 CO 0.12 0.02 -0.39 0.61 -1.23 0.00 0.00 177.57 176.71 1whv n GLY 507 N -1.35 -1.87 0.06 5.19 0.00 0.08 -0.70 105.19 106.61 1whv n GLY 507 Ca 0.07 0.94 -0.13 0.00 0.00 0.00 0.00 46.02 46.91 1whv n GLY 507 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1whv h LYS 508 N 0.00 -0.03 -0.82 1.61 1.79 -1.45 -3.28 116.57 114.39 1whv h LYS 508 Ca 0.22 0.00 0.09 0.00 -2.18 0.00 0.00 60.65 58.78 1whv h LYS 508 Cb 0.42 0.01 -0.11 0.00 -1.58 0.00 0.00 32.23 30.97 1whv h LYS 508 CO -0.79 0.40 -0.43 1.17 -1.08 0.00 0.00 179.45 178.71 1whv n LYS 509 N -4.90 -0.30 -3.30 3.15 4.81 0.13 -4.07 118.16 113.68 1whv n LYS 509 Ca -0.08 1.25 -0.38 0.00 -0.87 0.00 0.00 58.31 58.23 1whv n LYS 509 Cb 0.23 -1.85 -0.06 0.00 0.02 0.00 0.00 35.03 33.37 1whv n LYS 509 CO 0.00 0.00 0.00 1.14 1.17 0.00 0.00 177.40 179.71 1whv s GLN 510 N -5.54 4.33 -0.43 1.64 -2.07 -0.55 -4.98 119.66 112.07 1whv s GLN 510 Ca -0.10 0.47 0.04 0.00 -1.82 0.00 0.00 55.36 53.94 1whv s GLN 510 Cb 0.12 -3.45 0.45 0.00 -1.09 0.00 0.00 33.01 29.04 1whv s GLN 510 CO 0.54 0.13 1.46 1.63 -1.32 0.00 0.00 175.29 177.73 1whv n LYS 511 N 3.76 3.31 -1.82 9.60 4.01 -1.26 -4.81 118.16 130.96 1whv n LYS 511 Ca -0.07 -3.92 -0.02 0.00 -0.51 0.00 0.00 58.31 53.80 1whv n LYS 511 Cb 0.51 -2.28 -0.01 0.00 -0.51 0.00 0.00 35.03 32.74 1whv n LYS 511 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1whv n GLY 512 N -0.75 -3.73 2.17 0.72 0.00 -1.26 -4.97 105.19 97.37 1whv n GLY 512 Ca 0.50 0.28 -0.23 0.00 0.00 0.00 0.00 46.02 46.57 1whv n GLY 512 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1whv n LYS 513 N 0.56 3.41 -3.56 1.61 5.02 -1.26 -5.03 118.16 118.92 1whv n LYS 513 Ca -0.13 -4.17 -0.13 0.00 -2.02 0.00 0.00 58.31 51.87 1whv n LYS 513 Cb 0.20 -2.21 -0.05 0.00 -0.02 0.00 0.00 35.03 32.95 1whv n LYS 513 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 1whv s GLN 514 N -3.60 0.73 1.02 1.97 0.74 -1.26 -5.16 119.66 114.10 1whv s GLN 514 Ca 0.48 0.16 -0.17 0.00 0.05 0.00 0.00 55.36 55.88 1whv s GLN 514 Cb 0.40 0.35 -0.01 0.00 1.10 0.00 0.00 33.01 34.85 1whv s GLN 514 CO -0.01 -0.23 -0.18 1.33 -0.55 0.00 0.00 175.29 175.65 1whv n VAL 515 N 0.74 0.00 -3.77 1.34 0.24 -1.26 -4.95 118.33 110.67 1whv n VAL 515 Ca -0.13 -0.26 -0.36 0.00 -2.04 0.00 0.00 64.34 61.55 1whv n VAL 515 Cb 0.58 -0.42 -0.11 0.00 -1.47 0.00 0.00 33.84 32.41 1whv n VAL 515 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1whv s LYS 516 N -3.07 2.05 -0.50 7.34 2.47 -1.26 -5.06 119.74 121.71 1whv s LYS 516 Ca 0.51 -1.89 -0.25 0.00 -1.56 0.00 0.00 55.97 52.78 1whv s LYS 516 Cb -0.14 -3.60 0.03 0.00 -1.46 0.00 0.00 37.83 32.67 1whv s LYS 516 CO 0.70 -1.08 0.93 0.45 0.16 0.00 0.00 175.35 176.51 1whv s SER 517 N 1.71 6.43 0.00 1.43 0.15 -1.26 -4.51 113.70 117.65 1whv s SER 517 Ca 0.09 -0.08 0.00 0.00 0.70 0.00 0.00 55.95 56.66 1whv s SER 517 Cb -0.23 -2.44 0.00 0.00 -1.71 0.00 0.00 66.02 61.64 1whv s SER 517 CO -0.04 -1.12 0.00 0.61 1.20 0.00 0.00 173.24 173.88 1whv n GLY 518 N 5.01 0.49 3.77 9.45 0.00 -1.26 -5.08 105.19 117.57 1whv n GLY 518 Ca 0.04 -0.67 -0.37 0.00 0.00 0.00 0.00 46.02 45.02 1whv n GLY 518 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1whv s PRO 519 N -0.59 3.84 -0.22 1.61 0.04 -1.26 -4.99 135.00 133.43 1whv s PRO 519 Ca 0.00 1.80 -0.18 0.00 0.04 0.00 0.00 61.00 62.66 1whv s PRO 519 Cb 0.00 -2.49 -0.15 0.00 0.04 0.00 0.00 34.50 31.90 1whv s PRO 519 CO 0.00 -0.49 -0.01 0.43 0.04 0.00 0.00 177.00 176.97 1whv n SER 520 N -0.32 1.89 -4.29 6.66 7.64 -1.26 -4.77 113.62 119.17 1whv n SER 520 Ca 0.06 0.41 -0.45 0.00 1.01 0.00 0.00 58.87 59.90 1whv n SER 520 Cb 0.47 -0.91 -0.05 0.00 -1.01 0.00 0.00 64.21 62.72 1whv n SER 520 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1whv s SER 521 N -6.94 6.20 0.00 6.43 0.01 -1.26 -5.35 113.70 112.79 1whv s SER 521 Ca -0.31 -2.10 0.19 0.00 1.31 0.00 0.00 55.95 55.05 1whv s SER 521 Cb 0.08 -2.15 1.16 0.00 0.21 0.00 0.00 66.02 65.32 1whv s SER 521 CO 0.53 -0.73 1.55 0.61 0.41 0.00 0.00 173.24 175.61