#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rok s SER 424 N 0.00 0.22 0.35 1.61 0.15 -1.26 -5.12 113.70 109.65 2rok s SER 424 Ca 0.00 -1.13 -0.29 0.00 0.70 0.00 0.00 55.95 55.23 2rok s SER 424 Cb 0.00 0.62 -0.11 0.00 -1.71 0.00 0.00 66.02 64.82 2rok s SER 424 CO 0.00 -1.22 1.52 -0.55 1.20 0.00 0.00 173.24 174.18 2rok s SER 425 N -3.09 6.36 0.00 5.45 0.15 -1.26 -2.93 113.70 118.38 2rok s SER 425 Ca 0.25 3.01 0.00 0.00 0.70 0.00 0.00 55.95 59.91 2rok s SER 425 Cb -0.01 -2.66 0.00 0.00 -1.71 0.00 0.00 66.02 61.65 2rok s SER 425 CO 0.13 -0.88 0.00 0.61 1.20 0.00 0.00 173.24 174.30 2rok n GLY 426 N 1.01 3.01 0.24 9.45 0.00 -1.26 -4.87 105.19 112.77 2rok n GLY 426 Ca 0.03 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.21 2rok n GLY 426 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2rok h SER 427 N 0.00 0.00 -5.35 1.61 0.02 -1.97 -3.46 113.55 104.40 2rok h SER 427 Ca 0.00 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.81 2rok h SER 427 Cb 0.00 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 62.41 2rok h SER 427 CO 0.00 0.00 -0.43 -0.44 -1.14 0.00 0.00 176.83 174.82 2rok s SER 428 N -5.28 0.11 0.10 3.07 0.01 -1.26 -5.06 113.70 105.40 2rok s SER 428 Ca 0.01 -1.04 -0.25 0.00 1.31 0.00 0.00 55.95 55.99 2rok s SER 428 Cb 0.09 0.41 0.09 0.00 0.21 0.00 0.00 66.02 66.81 2rok s SER 428 CO 0.49 -0.87 1.14 -0.83 0.41 0.00 0.00 173.24 173.59 2rok s GLY 429 N -3.02 0.00 0.00 3.44 0.00 -1.26 -5.05 107.32 101.43 2rok s GLY 429 Ca 0.23 -0.16 0.00 0.00 0.00 0.00 0.00 44.72 44.79 2rok s GLY 429 CO 0.03 3.65 0.00 0.61 0.00 0.00 0.00 173.10 177.39 2rok n GLY 430 N -0.78 -0.11 3.45 0.20 0.00 -1.26 -5.17 105.19 101.52 2rok n GLY 430 Ca -0.00 0.06 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 2rok n GLY 430 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2rok n PRO 431 N 0.00 -1.33 -4.01 1.61 -0.02 -1.26 -5.09 135.00 124.90 2rok n PRO 431 Ca 0.00 -0.35 -0.08 0.00 -2.02 0.00 0.00 63.50 61.04 2rok n PRO 431 Cb 0.00 -2.02 -0.09 0.00 -0.02 0.00 0.00 33.50 31.38 2rok n PRO 431 CO 0.00 0.00 0.00 0.16 1.98 0.00 0.00 175.50 177.64 2rok s ASP 432 N -2.22 0.27 0.21 2.55 -4.77 -1.26 -5.19 116.67 106.26 2rok s ASP 432 Ca 0.62 -0.91 -0.04 0.00 -3.30 0.00 0.00 52.55 48.92 2rok s ASP 432 Cb -0.20 0.30 -0.03 0.00 -1.09 0.00 0.00 42.92 41.89 2rok s ASP 432 CO 0.64 -0.71 0.20 -0.76 0.70 0.00 0.00 175.17 175.25 2rok s LEU 433 N -2.94 1.00 -0.05 2.11 1.43 -1.26 -5.18 118.68 113.79 2rok s LEU 433 Ca 0.11 -1.27 0.00 0.00 -1.03 0.00 0.00 54.13 51.95 2rok s LEU 433 Cb 0.06 0.69 0.02 0.00 0.03 0.00 0.00 46.19 47.00 2rok s LEU 433 CO -0.06 -0.90 -0.03 -1.10 0.23 0.00 0.00 176.35 174.49 2rok s GLN 434 N -4.12 0.73 0.28 1.70 -1.52 -1.26 -5.05 119.66 110.41 2rok s GLN 434 Ca 0.34 -0.04 0.24 0.00 -1.95 0.00 0.00 55.36 53.96 2rok s GLN 434 Cb 0.05 -0.84 0.44 0.00 -0.22 0.00 0.00 33.01 32.44 2rok s GLN 434 CO 0.11 -0.14 1.53 -1.00 -0.25 0.00 0.00 175.29 175.53 2rok h PRO 435 N 7.47 0.00 -6.98 2.91 0.13 -2.10 -3.47 132.00 129.96 2rok h PRO 435 Ca -0.34 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.26 2rok h PRO 435 Cb 1.14 0.00 0.09 0.00 0.13 0.00 0.00 31.00 32.36 2rok h PRO 435 CO 0.42 0.00 0.60 0.21 -0.23 0.00 0.00 178.00 179.00 2rok s LYS 436 N -3.19 3.76 0.00 0.86 2.20 -1.26 -4.97 119.74 117.14 2rok s LYS 436 Ca 0.07 2.13 0.00 0.00 -0.36 0.00 0.00 55.97 57.80 2rok s LYS 436 Cb 0.09 -2.60 0.00 0.00 -1.51 0.00 0.00 37.83 33.81 2rok s LYS 436 CO 0.67 -0.65 0.10 0.54 -0.36 0.00 0.00 175.35 175.65 2rok n ARG 437 N -0.21 -0.08 0.30 4.03 5.12 -1.26 -4.85 116.66 119.71 2rok n ARG 437 Ca 0.06 -0.10 0.17 0.00 -1.93 0.00 0.00 57.85 56.04 2rok n ARG 437 Cb 0.44 -0.57 0.93 0.00 -1.16 0.00 0.00 32.46 32.10 2rok n ARG 437 CO 0.00 0.00 0.00 -0.44 -1.93 0.00 0.00 177.63 175.26 2rok h ASP 438 N 0.00 0.00 -0.70 0.55 3.32 -2.02 -2.37 116.42 115.20 2rok h ASP 438 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2rok h ASP 438 Cb 0.36 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.91 2rok h ASP 438 CO 0.00 0.04 0.00 0.00 -1.72 0.00 0.00 179.24 177.56 2rok n HIS 439 N -3.49 1.31 -5.21 4.55 1.44 -1.26 -4.56 115.22 108.00 2rok n HIS 439 Ca -0.02 -0.57 -0.32 0.00 -2.01 0.00 0.00 57.72 54.81 2rok n HIS 439 Cb 0.15 -0.15 -0.16 0.00 0.12 0.00 0.00 29.99 29.95 2rok n HIS 439 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 2rok s VAL 440 N -1.51 2.23 0.36 0.61 1.01 -0.89 -1.20 120.40 121.01 2rok s VAL 440 Ca 0.51 -1.02 0.09 0.00 0.00 0.00 0.00 61.98 61.56 2rok s VAL 440 Cb 0.31 -1.81 -0.06 0.00 0.00 0.00 0.00 36.38 34.82 2rok s VAL 440 CO 0.29 0.57 0.01 -0.76 0.00 0.00 0.00 175.10 175.21 2rok s LEU 441 N -0.37 2.92 0.01 3.92 1.43 -0.13 -2.45 118.68 124.01 2rok s LEU 441 Ca 0.03 -1.11 0.07 0.00 -1.03 0.00 0.00 54.13 52.09 2rok s LEU 441 Cb -0.12 -1.21 -0.02 0.00 0.03 0.00 0.00 46.19 44.87 2rok s LEU 441 CO 0.02 -0.30 -0.21 -2.28 0.23 0.00 0.00 176.35 173.81 2rok s HIS 442 N -2.58 1.82 -0.01 0.29 5.65 0.36 -1.15 115.29 119.67 2rok s HIS 442 Ca 0.35 -0.36 0.02 0.00 0.25 0.00 0.00 55.06 55.32 2rok s HIS 442 Cb 0.03 -1.13 -0.00 0.00 -1.18 0.00 0.00 32.58 30.29 2rok s HIS 442 CO 0.19 0.03 -0.07 0.08 -0.65 0.00 0.00 174.74 174.31 2rok s VAL 443 N -0.63 0.61 -0.05 0.89 1.01 -0.28 -1.15 120.40 120.79 2rok s VAL 443 Ca 0.08 -0.30 0.05 0.00 0.00 0.00 0.00 61.98 61.81 2rok s VAL 443 Cb -0.08 -0.53 -0.01 0.00 0.00 0.00 0.00 36.38 35.76 2rok s VAL 443 CO 0.00 0.18 -0.21 -0.89 0.00 0.00 0.00 175.10 174.19 2rok s THR 444 N -0.00 1.73 0.10 3.92 2.01 -0.35 -2.45 115.64 120.59 2rok s THR 444 Ca 0.00 -0.89 -0.24 0.00 0.31 0.00 0.00 61.69 60.88 2rok s THR 444 Cb -0.05 -1.48 0.06 0.00 0.01 0.00 0.00 72.50 71.05 2rok s THR 444 CO -0.00 0.49 0.58 0.72 -0.69 0.00 0.00 174.62 175.72 2rok s PHE 445 N -0.05 -0.51 0.51 4.92 -0.12 -0.74 -1.71 117.98 120.29 2rok s PHE 445 Ca -0.04 0.45 -0.22 0.00 -0.05 0.00 0.00 56.93 57.07 2rok s PHE 445 Cb -0.13 0.46 -0.07 0.00 -0.63 0.00 0.00 43.02 42.66 2rok s PHE 445 CO 0.03 -0.76 1.14 -2.30 -0.05 0.00 0.00 175.22 173.29 2rok n PRO 446 N 0.00 1.42 0.30 1.99 -0.02 -1.26 -4.52 135.00 132.91 2rok n PRO 446 Ca -0.17 0.52 0.19 0.00 -2.02 0.00 0.00 63.50 62.01 2rok n PRO 446 Cb 0.63 -2.29 1.00 0.00 -0.02 0.00 0.00 33.50 32.82 2rok n PRO 446 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 2rok h LYS 447 N 1.29 0.00 0.00 -0.52 2.10 -1.93 -1.99 116.57 115.52 2rok h LYS 447 Ca -0.48 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.17 2rok h LYS 447 Cb 1.33 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.66 2rok h LYS 447 CO 0.56 0.00 0.00 0.93 -2.00 0.00 0.00 179.45 178.94 2rok h GLU 448 N 0.00 0.00 -7.30 0.07 4.39 -1.91 -3.45 114.58 106.38 2rok h GLU 448 Ca 0.00 0.00 -0.50 0.00 0.34 0.00 0.00 59.36 59.20 2rok h GLU 448 Cb 0.15 0.00 0.15 0.00 -0.10 0.00 0.00 28.75 28.95 2rok h GLU 448 CO 0.00 0.00 0.25 -1.58 -1.16 0.00 0.00 179.01 176.52 2rok s TRP 449 N -3.88 2.22 0.21 4.33 0.52 -0.75 -5.10 118.94 116.49 2rok s TRP 449 Ca -0.02 1.47 -0.04 0.00 0.02 0.00 0.00 56.10 57.53 2rok s TRP 449 Cb 0.11 -3.15 -0.03 0.00 -1.15 0.00 0.00 33.47 29.25 2rok s TRP 449 CO 0.44 -2.35 0.22 0.21 0.02 0.00 0.00 176.95 175.49 2rok s LYS 450 N -4.84 1.29 0.52 4.98 2.20 -1.26 -5.03 119.74 117.60 2rok s LYS 450 Ca 0.64 -1.53 0.29 0.00 -0.36 0.00 0.00 55.97 55.01 2rok s LYS 450 Cb -0.19 0.32 1.42 0.00 -1.51 0.00 0.00 37.83 37.87 2rok s LYS 450 CO 0.57 -0.45 1.89 1.15 -0.36 0.00 0.00 175.35 178.15 2rok h THR 451 N 2.53 0.58 -0.05 3.43 2.02 -1.98 -1.60 112.91 117.84 2rok h THR 451 Ca -0.33 -0.02 -0.17 0.00 0.77 0.00 0.00 66.41 66.65 2rok h THR 451 Cb 1.25 0.52 0.01 0.00 -1.74 0.00 0.00 68.15 68.19 2rok h THR 451 CO 0.48 0.01 -0.64 0.77 0.37 0.00 0.00 175.52 176.51 2rok h SER 452 N 0.06 0.65 0.08 4.18 4.64 -1.98 -0.03 113.55 121.16 2rok h SER 452 Ca 0.42 -0.70 -0.01 0.00 -0.47 0.00 0.00 61.79 61.03 2rok h SER 452 Cb 1.57 -0.20 -0.00 0.00 -0.31 0.00 0.00 62.40 63.47 2rok h SER 452 CO -0.03 1.26 -0.04 0.44 -0.87 0.00 0.00 176.83 177.59 2rok h ASP 453 N 0.10 0.00 0.10 4.97 3.32 -1.79 -0.60 116.42 122.53 2rok h ASP 453 Ca -0.07 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.81 2rok h ASP 453 Cb 1.31 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.88 2rok h ASP 453 CO 0.13 0.04 -0.75 -0.07 -1.72 0.00 0.00 179.24 176.87 2rok h LEU 454 N 0.00 0.48 -1.28 1.55 3.38 -1.11 -1.78 115.31 116.54 2rok h LEU 454 Ca -0.00 -0.90 0.07 0.00 0.09 0.00 0.00 57.88 57.14 2rok h LEU 454 Cb 0.08 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.63 2rok h LEU 454 CO 0.00 1.34 0.53 1.88 0.09 0.00 0.00 178.44 182.28 2rok h TYR 455 N -0.30 0.87 -0.37 1.13 0.05 -0.73 -2.10 116.97 115.52 2rok h TYR 455 Ca -0.12 0.02 -0.13 0.00 0.05 0.00 0.00 58.73 58.55 2rok h TYR 455 Cb 1.54 -0.29 -0.01 0.00 1.01 0.00 0.00 36.73 38.98 2rok h TYR 455 CO 0.18 0.45 -0.28 0.37 -1.05 0.00 0.00 178.16 177.83 2rok h GLN 456 N 0.85 0.78 0.00 4.88 4.15 -1.12 -1.30 115.11 123.34 2rok h GLN 456 Ca 0.35 -0.34 -0.07 0.00 0.77 0.00 0.00 58.65 59.36 2rok h GLN 456 Cb 0.29 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.95 2rok h GLN 456 CO -0.13 0.96 -0.36 1.25 -1.93 0.00 0.00 178.83 178.63 2rok h LEU 457 N 0.66 0.00 -2.73 -2.39 5.85 -0.81 -3.32 115.31 112.57 2rok h LEU 457 Ca 0.08 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.80 2rok h LEU 457 Cb 0.81 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.84 2rok h LEU 457 CO 0.07 0.36 0.00 0.49 -0.34 0.00 0.00 178.44 179.01 2rok n PHE 458 N -3.90 0.12 0.22 1.25 3.72 -0.84 -4.76 117.46 113.27 2rok n PHE 458 Ca -0.01 -0.44 0.15 0.00 -0.05 0.00 0.00 57.45 57.09 2rok n PHE 458 Cb 0.42 -0.04 0.78 0.00 -0.94 0.00 0.00 39.48 39.70 2rok n PHE 458 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 2rok h SER 459 N 0.61 0.00 0.00 4.37 4.64 -1.34 -2.69 113.55 119.15 2rok h SER 459 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2rok h SER 459 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 2rok h SER 459 CO 0.00 0.00 0.01 0.00 -0.87 0.00 0.00 176.83 175.97 2rok h ALA 460 N 1.88 1.01 -0.05 5.18 0.00 -1.87 -2.68 119.26 122.73 2rok h ALA 460 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2rok h ALA 460 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2rok h ALA 460 CO -0.00 -0.01 0.00 1.19 0.00 0.00 0.00 179.25 180.43 2rok n PHE 461 N -2.79 0.04 0.00 0.00 3.72 -1.01 -4.99 117.46 112.42 2rok n PHE 461 Ca -0.02 -0.02 0.00 0.00 -0.05 0.00 0.00 57.45 57.36 2rok n PHE 461 Cb 0.07 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.61 2rok n PHE 461 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2rok n GLY 462 N 1.25 1.46 3.24 1.37 0.00 -1.01 -4.78 105.19 106.72 2rok n GLY 462 Ca 0.17 -0.08 -0.12 0.00 0.00 0.00 0.00 46.02 45.99 2rok n GLY 462 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2rok s ASN 463 N 0.00 -0.44 0.24 1.61 3.84 -1.26 -5.08 114.94 113.85 2rok s ASN 463 Ca 0.00 0.80 -0.03 0.00 0.21 0.00 0.00 52.86 53.84 2rok s ASN 463 Cb 0.00 0.73 -0.03 0.00 -0.55 0.00 0.00 41.25 41.40 2rok s ASN 463 CO 0.00 -0.17 0.26 0.27 -2.79 0.00 0.00 177.10 174.67 2rok s ILE 464 N 0.93 0.00 0.03 -5.21 -4.36 -1.26 -3.60 121.20 107.73 2rok s ILE 464 Ca -0.06 -1.83 0.00 0.00 -0.26 0.00 0.00 60.65 58.51 2rok s ILE 464 Cb -0.06 -2.45 -0.03 0.00 1.25 0.00 0.00 42.46 41.17 2rok s ILE 464 CO -0.07 0.00 -0.04 -1.10 0.24 0.00 0.00 174.94 173.96 2rok s GLN 465 N -3.93 0.44 -0.01 0.37 -1.52 -0.26 -5.01 119.66 109.74 2rok s GLN 465 Ca 0.35 -0.78 0.02 0.00 -1.95 0.00 0.00 55.36 53.00 2rok s GLN 465 Cb 0.04 0.01 -0.00 0.00 -0.22 0.00 0.00 33.01 32.83 2rok s GLN 465 CO 0.14 -0.03 -0.08 0.42 -0.25 0.00 0.00 175.29 175.49 2rok s ILE 466 N -1.95 0.61 -0.22 1.08 1.01 -1.26 -0.65 121.20 119.81 2rok s ILE 466 Ca -0.09 -0.32 -0.03 0.00 0.00 0.00 0.00 60.65 60.20 2rok s ILE 466 Cb -0.06 -0.51 0.10 0.00 0.01 0.00 0.00 42.46 41.99 2rok s ILE 466 CO -0.02 0.17 0.21 -0.55 0.00 0.00 0.00 174.94 174.75 2rok s SER 467 N -0.14 1.76 0.59 3.58 0.15 -0.67 -4.99 113.70 113.97 2rok s SER 467 Ca 0.02 -0.47 -0.20 0.00 0.70 0.00 0.00 55.95 56.01 2rok s SER 467 Cb -0.03 0.26 -0.04 0.00 -1.71 0.00 0.00 66.02 64.50 2rok s SER 467 CO -0.00 -0.35 1.26 0.26 1.20 0.00 0.00 173.24 175.61 2rok s TRP 468 N 2.29 2.32 0.00 3.44 0.52 -1.26 -0.45 118.94 125.79 2rok s TRP 468 Ca 0.07 1.48 0.00 0.00 0.02 0.00 0.00 56.10 57.67 2rok s TRP 468 Cb -0.15 -3.60 0.00 0.00 -1.15 0.00 0.00 33.47 28.56 2rok s TRP 468 CO -0.18 -2.51 0.00 0.44 0.02 0.00 0.00 176.95 174.72 2rok n ILE 469 N -1.46 0.00 -3.97 2.03 -5.35 -0.85 -4.86 119.36 104.90 2rok n ILE 469 Ca 0.13 0.00 -0.12 0.00 -0.27 0.00 0.00 62.75 62.49 2rok n ILE 469 Cb 0.48 0.09 -0.01 0.00 -1.74 0.00 0.00 39.64 38.46 2rok n ILE 469 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 2rok s ASP 470 N -0.61 0.55 0.32 7.28 -1.08 -0.66 -4.98 116.67 117.49 2rok s ASP 470 Ca 0.00 -1.35 0.25 0.00 -0.52 0.00 0.00 52.55 50.93 2rok s ASP 470 Cb 0.00 0.75 1.14 0.00 -1.46 0.00 0.00 42.92 43.34 2rok s ASP 470 CO 0.00 -1.47 1.75 0.44 0.52 0.00 0.00 175.17 176.41 2rok h ASP 471 N 2.06 0.00 0.00 -0.34 5.19 -1.99 -3.21 116.42 118.12 2rok h ASP 471 Ca -0.30 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.11 2rok h ASP 471 Cb 1.24 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.75 2rok h ASP 471 CO 0.39 0.00 0.00 0.35 -3.12 0.00 0.00 179.24 176.86 2rok n THR 472 N -2.37 0.31 -3.76 0.35 -2.24 -1.26 -4.28 114.28 101.04 2rok n THR 472 Ca 0.01 -0.34 -0.13 0.00 -2.27 0.00 0.00 64.05 61.31 2rok n THR 472 Cb 0.18 0.94 -0.10 0.00 -2.10 0.00 0.00 70.33 69.24 2rok n THR 472 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2rok s SER 473 N -0.31 -0.30 0.12 3.42 0.01 -1.21 -1.79 113.70 113.62 2rok s SER 473 Ca 0.00 0.51 -0.13 0.00 1.31 0.00 0.00 55.95 57.64 2rok s SER 473 Cb 0.00 0.58 0.02 0.00 0.21 0.00 0.00 66.02 66.84 2rok s SER 473 CO 0.00 -0.20 0.33 0.00 0.41 0.00 0.00 173.24 173.78 2rok s ALA 474 N -0.23 -0.66 0.34 1.44 0.00 -1.03 -1.66 121.76 119.97 2rok s ALA 474 Ca -0.04 -0.28 -0.08 0.00 0.00 0.00 0.00 51.96 51.56 2rok s ALA 474 Cb -0.03 0.64 -0.06 0.00 0.00 0.00 0.00 23.12 23.67 2rok s ALA 474 CO 0.01 -0.61 0.66 -0.06 0.00 0.00 0.00 175.76 175.76 2rok s PHE 475 N -3.83 3.47 -0.17 0.00 0.08 0.40 -1.13 117.98 116.80 2rok s PHE 475 Ca 0.05 0.84 -0.02 0.00 0.12 0.00 0.00 56.93 57.91 2rok s PHE 475 Cb 0.03 -2.27 0.05 0.00 -0.57 0.00 0.00 43.02 40.26 2rok s PHE 475 CO -0.11 0.04 0.02 0.08 -0.10 0.00 0.00 175.22 175.15 2rok s VAL 476 N -2.21 0.60 0.04 -0.44 1.01 -0.30 -1.67 120.40 117.43 2rok s VAL 476 Ca 0.47 -0.48 -0.24 0.00 0.00 0.00 0.00 61.98 61.74 2rok s VAL 476 Cb -0.11 -1.01 -0.06 0.00 0.00 0.00 0.00 36.38 35.21 2rok s VAL 476 CO 0.30 -0.09 0.72 -0.44 0.00 0.00 0.00 175.10 175.59 2rok s SER 477 N 1.84 7.17 0.33 3.32 0.01 0.18 -0.96 113.70 125.59 2rok s SER 477 Ca 0.00 1.39 0.10 0.00 1.31 0.00 0.00 55.95 58.75 2rok s SER 477 Cb -0.16 -2.44 -0.06 0.00 0.21 0.00 0.00 66.02 63.56 2rok s SER 477 CO -0.07 0.05 -0.08 -0.76 0.41 0.00 0.00 173.24 172.79 2rok s LEU 478 N -0.18 2.80 0.51 2.44 1.43 -0.34 -1.10 118.68 124.24 2rok s LEU 478 Ca 0.36 -1.10 0.29 0.00 -1.03 0.00 0.00 54.13 52.66 2rok s LEU 478 Cb -0.20 -1.14 1.25 0.00 0.03 0.00 0.00 46.19 46.13 2rok s LEU 478 CO 0.22 -0.17 1.95 0.28 0.23 0.00 0.00 176.35 178.86 2rok h SER 479 N 1.99 0.00 -5.01 2.29 0.02 -1.86 -3.46 113.55 107.52 2rok h SER 479 Ca -0.42 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.40 2rok h SER 479 Cb 1.25 0.00 -0.19 0.00 0.14 0.00 0.00 62.40 63.60 2rok h SER 479 CO 0.67 0.11 -0.40 -1.10 -1.14 0.00 0.00 176.83 174.98 2rok s GLN 480 N -3.77 0.60 0.53 3.45 -0.21 -1.26 -5.05 119.66 113.95 2rok s GLN 480 Ca -0.00 -0.40 0.33 0.00 0.02 0.00 0.00 55.36 55.31 2rok s GLN 480 Cb 0.10 0.25 1.34 0.00 1.00 0.00 0.00 33.01 35.71 2rok s GLN 480 CO 0.58 -0.16 1.96 -1.00 -2.12 0.00 0.00 175.29 174.56 2rok h PRO 481 N 3.92 0.00 -0.47 2.91 0.13 -1.88 -2.62 132.00 133.98 2rok h PRO 481 Ca -0.31 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.77 2rok h PRO 481 Cb 1.19 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 2rok h PRO 481 CO 0.42 0.00 0.07 0.93 -0.23 0.00 0.00 178.00 179.19 2rok h GLU 482 N 0.00 0.73 -0.07 0.86 3.07 -1.97 -3.07 114.58 114.13 2rok h GLU 482 Ca 0.00 -0.16 -0.10 0.00 -0.50 0.00 0.00 59.36 58.60 2rok h GLU 482 Cb 0.50 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.29 2rok h GLU 482 CO 0.00 0.70 -0.42 1.96 -1.40 0.00 0.00 179.01 179.85 2rok h GLN 483 N 0.70 0.17 -0.44 2.33 4.20 -1.89 -2.77 115.11 117.40 2rok h GLN 483 Ca 0.15 -0.08 0.04 0.00 0.06 0.00 0.00 58.65 58.82 2rok h GLN 483 Cb 0.34 -0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.08 2rok h GLN 483 CO 0.01 0.57 0.22 0.28 -0.67 0.00 0.00 178.83 179.23 2rok h VAL 484 N 0.14 0.97 -0.66 -0.54 2.07 -1.56 -1.54 116.25 115.13 2rok h VAL 484 Ca 0.01 -0.15 -0.04 0.00 0.82 0.00 0.00 66.70 67.34 2rok h VAL 484 Cb 0.81 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 2rok h VAL 484 CO 0.06 0.08 0.25 1.56 0.02 0.00 0.00 177.57 179.54 2rok h GLN 485 N 0.44 0.99 -0.51 1.57 4.20 -1.50 -2.45 115.11 117.86 2rok h GLN 485 Ca 0.19 -0.19 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 2rok h GLN 485 Cb 0.10 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.70 2rok h GLN 485 CO -0.13 0.84 0.24 0.82 -0.67 0.00 0.00 178.83 179.93 2rok h ILE 486 N 0.94 1.20 -0.64 2.54 2.04 -1.23 -1.30 117.51 121.05 2rok h ILE 486 Ca 0.22 -0.57 -0.08 0.00 1.00 0.00 0.00 64.86 65.43 2rok h ILE 486 Cb 0.23 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 36.92 2rok h ILE 486 CO -0.01 0.22 0.08 0.00 0.00 0.00 0.00 178.15 178.44 2rok h ALA 487 N 1.08 0.94 -0.60 1.87 0.00 -1.16 -0.39 119.26 121.00 2rok h ALA 487 Ca 0.17 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 2rok h ALA 487 Cb 0.13 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2rok h ALA 487 CO -0.02 0.66 0.06 0.28 0.00 0.00 0.00 179.25 180.23 2rok h VAL 488 N 0.99 1.26 -0.17 0.00 2.07 -1.33 -1.75 116.25 117.33 2rok h VAL 488 Ca 0.19 -1.05 -0.00 0.00 0.82 0.00 0.00 66.70 66.66 2rok h VAL 488 Cb 0.45 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 2rok h VAL 488 CO 0.02 0.38 0.09 -1.13 0.02 0.00 0.00 177.57 176.94 2rok h ASN 489 N 0.91 0.21 0.79 0.57 -0.73 -1.01 -3.24 115.58 113.08 2rok h ASN 489 Ca 0.18 -0.10 -0.11 0.00 1.87 0.00 0.00 56.30 58.13 2rok h ASN 489 Cb 0.47 -0.05 -0.02 0.00 0.27 0.00 0.00 38.32 38.99 2rok h ASN 489 CO 0.02 0.26 -0.52 0.71 -0.37 0.00 0.00 177.43 177.52 2rok h THR 490 N 0.15 1.17 0.00 -3.57 1.35 -1.03 -2.72 112.91 108.26 2rok h THR 490 Ca 0.06 -1.93 0.00 0.00 -0.55 0.00 0.00 66.41 63.99 2rok h THR 490 Cb 0.10 2.10 0.00 0.00 -1.73 0.00 0.00 68.15 68.62 2rok h THR 490 CO -0.01 0.51 0.00 -0.24 -0.25 0.00 0.00 175.52 175.53 2rok n SER 491 N -3.62 0.64 0.15 5.36 2.88 -0.67 -2.18 113.62 116.17 2rok n SER 491 Ca -0.00 0.73 0.10 0.00 -1.33 0.00 0.00 58.87 58.36 2rok n SER 491 Cb 0.59 -0.83 0.53 0.00 -0.75 0.00 0.00 64.21 63.75 2rok n SER 491 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2rok n LYS 492 N -2.28 0.13 -0.09 -1.46 4.81 -1.03 -2.05 118.16 116.20 2rok n LYS 492 Ca 0.00 0.61 0.04 0.00 -0.87 0.00 0.00 58.31 58.09 2rok n LYS 492 Cb 0.13 -1.92 0.09 0.00 0.02 0.00 0.00 35.03 33.35 2rok n LYS 492 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2rok n TYR 493 N -2.19 0.24 -1.00 5.64 4.01 -0.93 -5.06 117.16 117.88 2rok n TYR 493 Ca -0.01 -0.41 -0.31 0.00 -0.16 0.00 0.00 57.90 57.01 2rok n TYR 493 Cb 0.05 -0.03 0.13 0.00 -0.31 0.00 0.00 39.34 39.18 2rok n TYR 493 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2rok s ALA 494 N -0.93 1.74 0.00 -0.72 0.00 -0.87 -5.02 121.76 115.97 2rok s ALA 494 Ca 0.14 0.34 0.00 0.00 0.00 0.00 0.00 51.96 52.44 2rok s ALA 494 Cb 0.07 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.86 2rok s ALA 494 CO 0.10 -2.32 0.00 -0.85 0.00 0.00 0.00 175.76 172.68 2rok n GLU 495 N -3.91 0.00 0.00 0.00 0.28 -1.26 -4.91 120.64 110.84 2rok n GLU 495 Ca 0.10 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.10 2rok n GLU 495 Cb 0.53 -0.11 0.00 0.00 1.43 0.00 0.00 31.44 33.29 2rok n GLU 495 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 2rok n SER 496 N 0.00 0.00 -3.45 -1.84 7.64 -1.26 -5.12 113.62 109.59 2rok n SER 496 Ca 0.00 -1.00 -0.08 0.00 1.01 0.00 0.00 58.87 58.80 2rok n SER 496 Cb 0.05 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.25 2rok n SER 496 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 2rok s TYR 497 N 0.00 -0.05 -0.07 1.43 1.13 -1.26 -4.35 117.35 114.17 2rok s TYR 497 Ca 0.00 -0.50 -0.10 0.00 -1.41 0.00 0.00 57.07 55.05 2rok s TYR 497 Cb 0.00 0.77 0.02 0.00 -1.10 0.00 0.00 41.96 41.65 2rok s TYR 497 CO 0.00 -1.39 0.27 0.50 -2.51 0.00 0.00 175.55 172.42 2rok s ARG 498 N -3.21 0.42 -0.04 -3.49 6.06 -0.69 -4.82 118.95 113.18 2rok s ARG 498 Ca 0.13 0.16 0.07 0.00 -2.50 0.00 0.00 55.73 53.58 2rok s ARG 498 Cb -0.06 0.19 -0.01 0.00 0.06 0.00 0.00 34.95 35.13 2rok s ARG 498 CO 0.09 -0.08 -0.25 0.42 -2.50 0.00 0.00 175.30 172.98 2rok s ILE 499 N -0.37 2.02 0.22 4.11 1.01 -1.26 -1.21 121.20 125.70 2rok s ILE 499 Ca -0.05 -1.06 -0.08 0.00 0.00 0.00 0.00 60.65 59.45 2rok s ILE 499 Cb -0.03 -1.69 -0.02 0.00 0.01 0.00 0.00 42.46 40.73 2rok s ILE 499 CO 0.01 0.56 0.33 0.00 0.00 0.00 0.00 174.94 175.85 2rok s GLN 500 N -0.33 1.36 0.81 2.79 -2.07 -0.30 -4.74 119.66 117.17 2rok s GLN 500 Ca 0.02 -1.36 -0.11 0.00 -1.82 0.00 0.00 55.36 52.09 2rok s GLN 500 Cb -0.12 0.39 0.07 0.00 -1.09 0.00 0.00 33.01 32.26 2rok s GLN 500 CO 0.02 -0.52 1.09 0.95 -1.32 0.00 0.00 175.29 175.51 2rok s THR 501 N -4.05 3.17 0.35 3.63 -4.23 -1.26 -0.49 115.64 112.75 2rok s THR 501 Ca 0.27 0.38 0.06 0.00 -1.18 0.00 0.00 61.69 61.21 2rok s THR 501 Cb 0.03 -2.96 0.30 0.00 1.34 0.00 0.00 72.50 71.21 2rok s THR 501 CO 0.08 -0.49 1.92 0.22 -0.54 0.00 0.00 174.62 175.80 2rok h TYR 502 N -1.19 0.84 -0.50 3.99 3.20 -1.75 -1.87 116.97 119.69 2rok h TYR 502 Ca -0.46 0.02 -0.13 0.00 3.14 0.00 0.00 58.73 61.30 2rok h TYR 502 Cb 1.25 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 39.24 2rok h TYR 502 CO 0.51 0.40 -0.20 0.00 -1.64 0.00 0.00 178.16 177.23 2rok h ALA 503 N 1.58 0.70 -0.15 1.82 0.00 -1.91 -1.72 119.26 119.59 2rok h ALA 503 Ca 0.38 -0.39 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 2rok h ALA 503 Cb 0.41 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2rok h ALA 503 CO -0.15 0.68 -0.33 0.93 0.00 0.00 0.00 179.25 180.38 2rok h GLU 504 N 0.88 0.29 -0.01 0.00 4.39 -1.85 -0.98 114.58 117.30 2rok h GLU 504 Ca 0.12 -0.12 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 2rok h GLU 504 Cb 0.78 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.41 2rok h GLU 504 CO 0.06 0.59 0.00 -0.92 -1.16 0.00 0.00 179.01 177.59 2rok h TYR 505 N 0.25 0.02 -0.99 4.33 3.20 -1.25 -2.99 116.97 119.54 2rok h TYR 505 Ca 0.03 -0.00 0.13 0.00 3.14 0.00 0.00 58.73 62.04 2rok h TYR 505 Cb 0.71 -0.00 -0.09 0.00 1.54 0.00 0.00 36.73 38.88 2rok h TYR 505 CO 0.01 0.20 0.61 0.28 -1.64 0.00 0.00 178.16 177.63 2rok h VAL 506 N -0.17 0.87 0.00 1.81 2.07 -1.17 -2.49 116.25 117.16 2rok h VAL 506 Ca 0.00 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.21 2rok h VAL 506 Cb 0.19 -0.14 0.00 0.00 -1.52 0.00 0.00 31.29 29.83 2rok h VAL 506 CO -0.00 0.17 0.00 0.61 0.02 0.00 0.00 177.57 178.37 2rok n GLY 507 N -1.34 -0.85 0.17 2.17 0.00 -0.39 -2.17 105.19 102.78 2rok n GLY 507 Ca 0.19 0.07 0.03 0.00 0.00 0.00 0.00 46.02 46.31 2rok n GLY 507 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2rok n LYS 508 N -1.87 1.32 0.19 1.61 2.85 -0.95 -4.74 118.16 116.56 2rok n LYS 508 Ca 0.01 -0.62 0.18 0.00 -1.05 0.00 0.00 58.31 56.83 2rok n LYS 508 Cb 0.09 -1.01 0.80 0.00 -0.65 0.00 0.00 35.03 34.26 2rok n LYS 508 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 177.40 178.22 2rok h LYS 509 N 0.84 0.00 0.00 -1.58 1.79 -1.31 -2.39 116.57 113.92 2rok h LYS 509 Ca 0.00 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.46 2rok h LYS 509 Cb 0.21 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.85 2rok h LYS 509 CO 0.00 0.00 -0.36 0.00 -1.08 0.00 0.00 179.45 178.01 2rok n GLN 510 N -3.56 0.43 -3.14 3.15 10.64 -1.26 -4.92 117.38 118.72 2rok n GLN 510 Ca 0.03 -1.56 -0.20 0.00 -1.83 0.00 0.00 57.00 53.44 2rok n GLN 510 Cb 0.46 -0.82 -0.04 0.00 -0.86 0.00 0.00 30.24 28.98 2rok n GLN 510 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.06 176.40 2rok n LYS 511 N -0.46 0.80 0.00 2.61 4.81 -0.90 -4.86 118.16 120.17 2rok n LYS 511 Ca 0.05 -3.10 0.00 0.00 -0.87 0.00 0.00 58.31 54.40 2rok n LYS 511 Cb 0.69 -1.37 0.00 0.00 0.02 0.00 0.00 35.03 34.37 2rok n LYS 511 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2rok n GLY 512 N 1.06 0.00 0.45 3.14 0.00 -1.26 -4.80 105.19 103.78 2rok n GLY 512 Ca 0.21 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.07 2rok n GLY 512 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2rok h LYS 513 N 0.00 -0.75 0.00 1.61 1.79 -1.89 -3.40 116.57 113.94 2rok h LYS 513 Ca 0.00 0.05 -0.10 0.00 -2.18 0.00 0.00 60.65 58.42 2rok h LYS 513 Cb 0.00 0.17 -0.12 0.00 -1.58 0.00 0.00 32.23 30.70 2rok h LYS 513 CO 0.00 -0.50 -0.31 0.94 -1.08 0.00 0.00 179.45 178.51 2rok n GLN 514 N -5.50 0.00 0.24 3.15 -0.06 -1.26 -5.01 117.38 108.94 2rok n GLN 514 Ca -0.09 -0.88 0.17 0.00 -2.00 0.00 0.00 57.00 54.19 2rok n GLN 514 Cb 0.41 0.32 0.88 0.00 -4.06 0.00 0.00 30.24 27.79 2rok n GLN 514 CO 0.00 0.00 0.00 -0.39 -0.20 0.00 0.00 177.06 176.47 2rok h VAL 515 N 5.25 0.00 0.00 1.69 -1.51 -1.88 -1.22 116.25 118.59 2rok h VAL 515 Ca -0.40 -0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.06 2rok h VAL 515 Cb 1.37 0.72 -0.00 0.00 -2.13 0.00 0.00 31.29 31.25 2rok h VAL 515 CO -0.18 0.00 -0.04 0.50 -1.23 0.00 0.00 177.57 176.61 2rok h LYS 516 N 0.00 0.00 0.00 5.19 3.64 -1.95 -3.31 116.57 120.15 2rok h LYS 516 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2rok h LYS 516 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 2rok h LYS 516 CO 0.00 0.04 -0.66 -1.13 -2.27 0.00 0.00 179.45 175.44 2rok n SER 517 N -3.47 3.28 0.00 4.20 3.41 -0.70 -5.17 113.62 115.17 2rok n SER 517 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 2rok n SER 517 Cb 0.16 0.58 0.00 0.00 -0.26 0.00 0.00 64.21 64.69 2rok n SER 517 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2rok n GLY 518 N 1.76 -1.87 0.41 5.00 0.00 -0.54 -4.70 105.19 105.24 2rok n GLY 518 Ca 0.00 -2.09 0.22 0.00 0.00 0.00 0.00 46.02 44.15 2rok n GLY 518 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2rok h PRO 519 N 0.87 0.00 0.00 1.61 0.11 -1.88 -1.26 132.00 131.46 2rok h PRO 519 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2rok h PRO 519 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2rok h PRO 519 CO 0.00 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 178.45 2rok h SER 520 N 0.00 0.00 0.00 -2.05 4.64 -1.97 -3.14 113.55 111.03 2rok h SER 520 Ca 0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 2rok h SER 520 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 2rok h SER 520 CO -0.00 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 174.76 2rok n SER 521 N -2.50 0.54 0.00 4.97 7.64 -0.49 -5.22 113.62 118.56 2rok n SER 521 Ca -0.01 -1.12 0.00 0.00 1.01 0.00 0.00 58.87 58.75 2rok n SER 521 Cb 0.10 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.30 2rok n SER 521 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64