#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rok n SER 424 N 0.00 0.13 -3.75 1.61 3.41 -1.26 -5.11 113.62 108.65 2rok n SER 424 Ca 0.00 -0.78 -0.09 0.00 -0.26 0.00 0.00 58.87 57.74 2rok n SER 424 Cb 0.00 0.04 -0.04 0.00 -0.26 0.00 0.00 64.21 63.95 2rok n SER 424 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2rok s SER 425 N -0.04 -0.26 0.00 4.04 1.04 -1.26 -5.20 113.70 112.03 2rok s SER 425 Ca 0.00 -0.49 0.00 0.00 0.48 0.00 0.00 55.95 55.94 2rok s SER 425 Cb 0.00 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.71 2rok s SER 425 CO 0.00 -1.07 0.00 0.61 0.98 0.00 0.00 173.24 173.76 2rok n GLY 426 N -0.35 0.13 3.70 7.32 0.00 -1.26 -5.20 105.19 109.53 2rok n GLY 426 Ca -0.10 -1.02 -0.08 0.00 0.00 0.00 0.00 46.02 44.82 2rok n GLY 426 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2rok s SER 427 N 0.00 -0.23 -0.00 1.61 1.04 -1.26 -5.08 113.70 109.78 2rok s SER 427 Ca 0.00 -0.64 0.00 0.00 0.48 0.00 0.00 55.95 55.79 2rok s SER 427 Cb 0.00 0.65 0.00 0.00 0.10 0.00 0.00 66.02 66.78 2rok s SER 427 CO 0.00 -1.21 0.66 -1.20 0.98 0.00 0.00 173.24 172.46 2rok n SER 428 N -0.41 0.61 0.00 7.02 7.64 -1.26 -5.12 113.62 122.10 2rok n SER 428 Ca -0.05 -1.32 0.00 0.00 1.01 0.00 0.00 58.87 58.51 2rok n SER 428 Cb 0.61 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.80 2rok n SER 428 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2rok n GLY 429 N -0.16 -1.44 3.77 0.23 0.00 -1.26 -5.20 105.19 101.14 2rok n GLY 429 Ca 0.00 -1.05 -0.03 0.00 0.00 0.00 0.00 46.02 44.95 2rok n GLY 429 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2rok s GLY 430 N 0.00 -0.17 0.19 -0.02 0.00 -1.26 -5.16 107.32 100.90 2rok s GLY 430 Ca 0.00 0.07 -0.33 0.00 0.00 0.00 0.00 44.72 44.46 2rok s GLY 430 CO 0.00 0.51 1.40 -1.05 0.00 0.00 0.00 173.10 173.96 2rok n PRO 431 N -0.52 1.81 0.00 2.90 -0.02 -1.26 -4.91 135.00 133.00 2rok n PRO 431 Ca -0.06 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 2rok n PRO 431 Cb 0.61 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 2rok n PRO 431 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2rok n ASP 432 N 2.50 0.00 -3.77 2.55 5.75 -1.26 -5.12 116.55 117.20 2rok n ASP 432 Ca 0.14 -1.00 -0.30 0.00 -0.01 0.00 0.00 54.79 53.62 2rok n ASP 432 Cb 0.28 0.00 0.26 0.00 -1.03 0.00 0.00 41.12 40.64 2rok n ASP 432 CO 0.00 0.00 0.00 -1.48 -0.11 0.00 0.00 177.20 175.61 2rok s LEU 433 N 0.00 -0.19 0.03 -2.12 2.34 -1.26 -5.12 118.68 112.36 2rok s LEU 433 Ca 0.00 0.91 0.03 0.00 0.06 0.00 0.00 54.13 55.12 2rok s LEU 433 Cb 0.00 -2.53 -0.02 0.00 -0.56 0.00 0.00 46.19 43.09 2rok s LEU 433 CO 0.00 -4.75 -0.09 -1.10 -1.06 0.00 0.00 176.35 169.36 2rok s GLN 434 N -5.06 0.60 0.01 1.48 -1.52 -1.26 -5.14 119.66 108.78 2rok s GLN 434 Ca 0.69 -0.60 -0.30 0.00 -1.95 0.00 0.00 55.36 53.20 2rok s GLN 434 Cb -0.14 -0.50 -0.05 0.00 -0.22 0.00 0.00 33.01 32.10 2rok s GLN 434 CO 0.58 0.12 1.32 -1.25 -0.25 0.00 0.00 175.29 175.81 2rok s PRO 435 N -1.06 4.33 0.34 2.91 0.04 -1.26 -5.01 135.00 135.28 2rok s PRO 435 Ca -0.04 1.89 -0.12 0.00 0.04 0.00 0.00 61.00 62.77 2rok s PRO 435 Cb -0.07 -3.49 0.02 0.00 0.04 0.00 0.00 34.50 31.00 2rok s PRO 435 CO 0.00 -0.48 0.63 -1.59 0.04 0.00 0.00 177.00 175.61 2rok s LYS 436 N 1.96 1.98 0.00 4.56 -2.85 -1.26 -5.11 119.74 119.01 2rok s LYS 436 Ca 0.61 -1.46 0.00 0.00 -1.00 0.00 0.00 55.97 54.12 2rok s LYS 436 Cb -0.30 0.54 0.00 0.00 -2.06 0.00 0.00 37.83 36.01 2rok s LYS 436 CO 0.26 -0.88 0.03 0.54 0.10 0.00 0.00 175.35 175.41 2rok n ARG 437 N -0.51 0.89 0.00 1.78 5.12 -1.26 -4.84 116.66 117.83 2rok n ARG 437 Ca -0.04 -0.03 0.06 0.00 -1.93 0.00 0.00 57.85 55.91 2rok n ARG 437 Cb 0.61 -0.26 0.32 0.00 -1.16 0.00 0.00 32.46 31.96 2rok n ARG 437 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 2rok n ASP 438 N -0.14 0.00 -0.22 0.55 5.75 -1.26 -2.04 116.55 119.19 2rok n ASP 438 Ca 0.00 -0.13 0.04 0.00 -0.01 0.00 0.00 54.79 54.69 2rok n ASP 438 Cb 0.06 -0.14 0.08 0.00 -1.03 0.00 0.00 41.12 40.10 2rok n ASP 438 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2rok n HIS 439 N -1.14 0.18 -4.57 2.11 1.44 -1.26 -4.58 115.22 107.41 2rok n HIS 439 Ca 0.07 -0.63 -0.33 0.00 -2.01 0.00 0.00 57.72 54.82 2rok n HIS 439 Cb 0.06 -0.09 -0.15 0.00 0.12 0.00 0.00 29.99 29.93 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 -1.53 2.65 0.51 0.61 1.01 -0.87 -1.22 120.40 121.55 2rok s VAL 440 Ca 0.15 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 61.36 2rok s VAL 440 Cb 0.11 -2.11 0.02 0.00 0.00 0.00 0.00 36.38 34.40 2rok s VAL 440 CO 0.05 0.52 0.72 -0.76 0.00 0.00 0.00 175.10 175.63 2rok s LEU 441 N 0.78 3.43 -0.03 3.92 1.43 0.05 -1.79 118.68 126.47 2rok s LEU 441 Ca -0.06 0.07 0.04 0.00 -1.03 0.00 0.00 54.13 53.15 2rok s LEU 441 Cb -0.15 -2.96 -0.00 0.00 0.03 0.00 0.00 46.19 43.11 2rok s LEU 441 CO 0.00 -0.96 -0.15 -2.28 0.23 0.00 0.00 176.35 173.20 2rok s HIS 442 N -2.66 1.43 -0.02 0.29 5.65 0.31 -1.12 115.29 119.16 2rok s HIS 442 Ca 0.54 -0.36 0.02 0.00 0.25 0.00 0.00 55.06 55.51 2rok s HIS 442 Cb -0.10 -0.96 0.00 0.00 -1.18 0.00 0.00 32.58 30.34 2rok s HIS 442 CO 0.38 -0.11 -0.08 0.08 -0.65 0.00 0.00 174.74 174.35 2rok s VAL 443 N -0.03 0.71 -0.05 0.89 1.01 -0.15 -1.05 120.40 121.73 2rok s VAL 443 Ca -0.01 -0.33 0.04 0.00 0.00 0.00 0.00 61.98 61.67 2rok s VAL 443 Cb -0.09 -0.63 -0.00 0.00 0.00 0.00 0.00 36.38 35.66 2rok s VAL 443 CO 0.01 0.22 -0.17 -0.89 0.00 0.00 0.00 175.10 174.27 2rok s THR 444 N 0.11 1.44 0.09 3.92 2.01 -0.34 -1.78 115.64 121.09 2rok s THR 444 Ca -0.02 -0.71 -0.21 0.00 0.31 0.00 0.00 61.69 61.06 2rok s THR 444 Cb -0.07 -1.25 0.05 0.00 0.01 0.00 0.00 72.50 71.25 2rok s THR 444 CO 0.00 0.42 0.52 0.72 -0.69 0.00 0.00 174.62 175.59 2rok s PHE 445 N 0.15 -0.41 0.48 4.92 -0.12 -0.44 -1.11 117.98 121.45 2rok s PHE 445 Ca -0.07 0.33 -0.23 0.00 -0.05 0.00 0.00 56.93 56.92 2rok s PHE 445 Cb -0.13 0.38 -0.08 0.00 -0.63 0.00 0.00 43.02 42.56 2rok s PHE 445 CO 0.03 -0.70 1.11 -2.30 -0.05 0.00 0.00 175.22 173.30 2rok n PRO 446 N 0.10 1.43 0.25 1.99 -0.02 -1.26 -4.54 135.00 132.95 2rok n PRO 446 Ca -0.18 0.52 0.18 0.00 -2.02 0.00 0.00 63.50 62.01 2rok n PRO 446 Cb 0.62 -2.23 0.88 0.00 -0.02 0.00 0.00 33.50 32.75 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 1.41 0.00 0.00 -0.52 2.10 -1.92 -1.87 116.57 115.76 2rok h LYS 447 Ca -0.47 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.18 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 0.39 -2.00 0.00 0.00 179.45 178.40 2rok n GLU 448 N -3.39 0.11 -1.66 0.07 1.02 -1.26 -4.80 120.64 110.73 2rok n GLU 448 Ca 0.00 0.41 -0.32 0.00 -0.02 0.00 0.00 57.16 57.23 2rok n GLU 448 Cb 0.34 -1.74 0.05 0.00 -0.02 0.00 0.00 31.44 30.07 2rok n GLU 448 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2rok s TRP 449 N -3.23 2.66 0.29 -0.32 0.52 -0.71 -5.10 118.94 113.06 2rok s TRP 449 Ca 0.04 1.54 0.02 0.00 0.02 0.00 0.00 56.10 57.72 2rok s TRP 449 Cb 0.08 -3.12 -0.06 0.00 -1.15 0.00 0.00 33.47 29.23 2rok s TRP 449 CO 0.29 -1.65 0.08 0.15 0.02 0.00 0.00 176.95 175.85 2rok s LYS 450 N -4.31 1.52 0.37 4.98 3.01 -1.26 -5.03 119.74 119.02 2rok s LYS 450 Ca 0.65 -1.84 0.16 0.00 -1.01 0.00 0.00 55.97 53.93 2rok s LYS 450 Cb -0.19 -0.51 1.05 0.00 -1.01 0.00 0.00 37.83 37.17 2rok s LYS 450 CO 0.45 -0.26 1.74 1.15 0.51 0.00 0.00 175.35 178.94 2rok h THR 451 N 2.26 0.49 -0.41 2.17 2.02 -1.99 -1.39 112.91 116.07 2rok h THR 451 Ca -0.39 -0.15 -0.01 0.00 0.77 0.00 0.00 66.41 66.62 2rok h THR 451 Cb 1.25 0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 67.65 2rok h THR 451 CO 0.64 0.08 0.20 0.28 0.37 0.00 0.00 175.52 177.09 2rok h SER 452 N 0.44 0.53 0.16 4.18 0.02 -1.99 -0.62 113.55 116.28 2rok h SER 452 Ca 0.63 -0.12 -0.05 0.00 -0.84 0.00 0.00 61.79 61.41 2rok h SER 452 Cb 1.48 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.88 2rok h SER 452 CO -0.38 0.51 -0.20 0.44 -1.14 0.00 0.00 176.83 176.05 2rok h ASP 453 N 0.52 0.08 -0.07 3.07 3.32 -1.68 -1.01 116.42 120.66 2rok h ASP 453 Ca 0.14 -0.02 -0.08 0.00 0.02 0.00 0.00 57.03 57.10 2rok h ASP 453 Cb 0.11 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.65 2rok h ASP 453 CO -0.02 0.28 -0.25 -0.07 -1.72 0.00 0.00 179.24 177.46 2rok h LEU 454 N 0.08 0.34 -1.64 1.55 3.38 -1.05 -0.60 115.31 117.37 2rok h LEU 454 Ca 0.01 -0.63 -0.02 0.00 0.09 0.00 0.00 57.88 57.34 2rok h LEU 454 Cb 0.40 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 2rok h LEU 454 CO 0.03 0.91 0.02 1.88 0.09 0.00 0.00 178.44 181.37 2rok h TYR 455 N -0.20 0.24 -0.22 1.13 -1.99 -1.01 -2.32 116.97 112.59 2rok h TYR 455 Ca -0.01 -0.01 -0.14 0.00 2.00 0.00 0.00 58.73 60.57 2rok h TYR 455 Cb 0.89 -0.07 -0.01 0.00 2.00 0.00 0.00 36.73 39.53 2rok h TYR 455 CO 0.13 0.24 -0.44 0.37 -0.00 0.00 0.00 178.16 178.46 2rok h GLN 456 N 0.24 0.55 -0.19 4.88 4.15 -1.10 -1.65 115.11 121.98 2rok h GLN 456 Ca 0.06 -0.29 -0.06 0.00 0.77 0.00 0.00 58.65 59.12 2rok h GLN 456 Cb 0.14 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.83 2rok h GLN 456 CO 0.00 0.88 -0.15 1.25 -1.93 0.00 0.00 178.83 178.88 2rok h LEU 457 N 0.45 0.30 -3.01 -2.39 5.85 -0.59 -3.28 115.31 112.63 2rok h LEU 457 Ca 0.03 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.68 2rok h LEU 457 Cb 0.95 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.90 2rok h LEU 457 CO 0.08 0.48 0.00 0.49 -0.34 0.00 0.00 178.44 179.15 2rok n PHE 458 N -4.23 0.41 0.19 1.25 3.72 -0.93 -4.71 117.46 113.16 2rok n PHE 458 Ca -0.00 -0.64 0.17 0.00 -0.05 0.00 0.00 57.45 56.92 2rok n PHE 458 Cb 0.30 -0.11 0.80 0.00 -0.94 0.00 0.00 39.48 39.53 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 1.27 0.00 -0.01 4.37 4.64 -1.37 -1.90 113.55 120.56 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 0.87 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.96 2rok h SER 459 CO 0.05 0.00 0.03 0.00 -0.87 0.00 0.00 176.83 176.04 2rok h ALA 460 N 1.79 1.23 -0.01 5.18 0.00 -1.87 -1.87 119.26 123.70 2rok h ALA 460 Ca 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2rok h ALA 460 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2rok h ALA 460 CO -0.00 -0.03 -0.16 1.19 0.00 0.00 0.00 179.25 180.25 2rok n PHE 461 N -3.35 0.00 0.00 0.00 3.72 -0.71 -4.99 117.46 112.12 2rok n PHE 461 Ca -0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 2rok n PHE 461 Cb 0.10 -0.04 0.00 0.00 -0.94 0.00 0.00 39.48 38.60 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 1.29 1.19 3.14 1.37 0.00 -0.70 -4.85 105.19 106.63 2rok n GLY 462 Ca 0.14 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.05 2rok n GLY 462 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2rok s ASN 463 N 0.00 0.02 0.35 1.61 -0.87 -1.26 -4.98 114.94 109.81 2rok s ASN 463 Ca 0.00 -0.24 -0.04 0.00 -1.57 0.00 0.00 52.86 51.02 2rok s ASN 463 Cb 0.00 0.23 0.01 0.00 -0.02 0.00 0.00 41.25 41.47 2rok s ASN 463 CO 0.00 -0.43 0.52 0.27 -2.57 0.00 0.00 177.10 174.89 2rok s ILE 464 N -1.71 0.00 -0.01 0.60 -4.36 -1.26 -4.05 121.20 110.40 2rok s ILE 464 Ca -0.12 -1.53 -0.03 0.00 -0.26 0.00 0.00 60.65 58.71 2rok s ILE 464 Cb -0.06 -2.68 -0.00 0.00 1.25 0.00 0.00 42.46 40.97 2rok s ILE 464 CO 0.00 0.00 0.06 -1.58 0.24 0.00 0.00 174.94 173.66 2rok s GLN 465 N -2.92 0.22 -0.03 0.37 0.74 -0.67 -5.00 119.66 112.37 2rok s GLN 465 Ca 0.29 -0.19 0.06 0.00 0.05 0.00 0.00 55.36 55.57 2rok s GLN 465 Cb -0.01 0.09 -0.01 0.00 1.10 0.00 0.00 33.01 34.18 2rok s GLN 465 CO 0.20 -0.04 -0.21 0.42 -0.55 0.00 0.00 175.29 175.11 2rok s ILE 466 N -0.64 1.66 -0.34 -2.34 1.01 -1.26 -0.78 121.20 118.51 2rok s ILE 466 Ca -0.07 -0.87 -0.01 0.00 0.00 0.00 0.00 60.65 59.70 2rok s ILE 466 Cb -0.04 -1.40 0.12 0.00 0.01 0.00 0.00 42.46 41.14 2rok s ILE 466 CO 0.00 0.47 0.16 -0.44 0.00 0.00 0.00 174.94 175.13 2rok s SER 467 N -0.26 3.58 0.71 3.58 0.01 -0.35 -5.02 113.70 115.95 2rok s SER 467 Ca 0.02 -1.92 -0.16 0.00 1.31 0.00 0.00 55.95 55.20 2rok s SER 467 Cb -0.10 -0.67 0.02 0.00 0.21 0.00 0.00 66.02 65.47 2rok s SER 467 CO 0.01 -0.36 1.18 0.79 0.41 0.00 0.00 173.24 175.27 2rok n TRP 468 N 4.45 1.41 0.00 2.43 7.02 -1.26 -0.90 117.44 130.59 2rok n TRP 468 Ca 0.03 0.41 0.00 0.00 -1.02 0.00 0.00 57.50 56.92 2rok n TRP 468 Cb 0.39 -2.18 0.00 0.00 -2.42 0.00 0.00 31.31 27.10 2rok n TRP 468 CO 0.00 0.00 0.00 0.44 -2.02 0.00 0.00 177.69 176.11 2rok n ILE 469 N -2.41 0.00 -3.97 -0.99 -5.35 -1.08 -4.83 119.36 100.73 2rok n ILE 469 Ca 0.15 0.00 -0.11 0.00 -0.27 0.00 0.00 62.75 62.52 2rok n ILE 469 Cb 0.49 0.09 -0.02 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 -0.62 0.30 0.21 7.28 2.15 -0.78 -4.99 116.67 120.21 2rok s ASP 470 Ca 0.00 -1.17 0.18 0.00 0.43 0.00 0.00 52.55 51.99 2rok s ASP 470 Cb 0.00 0.70 0.85 0.00 -0.30 0.00 0.00 42.92 44.17 2rok s ASP 470 CO 0.00 -1.37 1.55 -0.67 -0.17 0.00 0.00 175.17 174.51 2rok n ASP 471 N -1.06 0.43 0.00 -0.34 2.03 -1.26 -3.41 116.55 112.94 2rok n ASP 471 Ca -0.03 0.65 0.00 0.00 0.52 0.00 0.00 54.79 55.94 2rok n ASP 471 Cb 0.61 -0.73 0.00 0.00 -0.72 0.00 0.00 41.12 40.28 2rok n ASP 471 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2rok n THR 472 N -2.03 0.10 -3.60 5.18 -2.24 -1.26 -4.26 114.28 106.15 2rok n THR 472 Ca 0.01 -0.20 -0.12 0.00 -2.27 0.00 0.00 64.05 61.47 2rok n THR 472 Cb 0.11 1.43 -0.05 0.00 -2.10 0.00 0.00 70.33 69.73 2rok n THR 472 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2rok s SER 473 N -0.10 -0.33 0.08 3.42 1.04 -1.22 -1.33 113.70 115.26 2rok s SER 473 Ca 0.00 -0.07 -0.17 0.00 0.48 0.00 0.00 55.95 56.19 2rok s SER 473 Cb 0.00 0.48 0.03 0.00 0.10 0.00 0.00 66.02 66.63 2rok s SER 473 CO 0.00 -0.78 0.40 0.00 0.98 0.00 0.00 173.24 173.84 2rok s ALA 474 N -3.09 -0.96 0.23 5.32 0.00 -0.73 -1.87 121.76 120.66 2rok s ALA 474 Ca -0.02 0.13 -0.11 0.00 0.00 0.00 0.00 51.96 51.96 2rok s ALA 474 Cb 0.00 0.50 -0.07 0.00 0.00 0.00 0.00 23.12 23.55 2rok s ALA 474 CO -0.07 -0.54 0.58 -0.06 0.00 0.00 0.00 175.76 175.67 2rok s PHE 475 N -3.10 3.44 -0.16 0.00 0.08 -0.08 -0.98 117.98 117.18 2rok s PHE 475 Ca -0.01 0.96 -0.04 0.00 0.12 0.00 0.00 56.93 57.96 2rok s PHE 475 Cb 0.01 -2.33 0.06 0.00 -0.57 0.00 0.00 43.02 40.19 2rok s PHE 475 CO -0.07 0.26 0.07 0.08 -0.10 0.00 0.00 175.22 175.46 2rok s VAL 476 N -1.80 0.11 0.25 -0.44 1.01 -0.28 -1.21 120.40 118.05 2rok s VAL 476 Ca 0.47 -0.23 -0.30 0.00 0.00 0.00 0.00 61.98 61.93 2rok s VAL 476 Cb -0.12 -0.68 -0.09 0.00 0.00 0.00 0.00 36.38 35.49 2rok s VAL 476 CO 0.20 -0.20 1.06 -0.44 0.00 0.00 0.00 175.10 175.72 2rok s SER 477 N 2.05 7.35 0.26 3.32 0.01 0.04 -0.77 113.70 125.96 2rok s SER 477 Ca 0.01 2.16 0.10 0.00 1.31 0.00 0.00 55.95 59.53 2rok s SER 477 Cb -0.16 -2.62 -0.04 0.00 0.21 0.00 0.00 66.02 63.41 2rok s SER 477 CO -0.08 -0.10 -0.01 -0.76 0.41 0.00 0.00 173.24 172.70 2rok s LEU 478 N -1.15 3.18 0.45 2.44 1.43 -0.36 -1.67 118.68 123.00 2rok s LEU 478 Ca 0.45 -0.65 0.22 0.00 -1.03 0.00 0.00 54.13 53.12 2rok s LEU 478 Cb -0.30 -1.71 1.08 0.00 0.03 0.00 0.00 46.19 45.30 2rok s LEU 478 CO 0.38 0.01 1.93 0.28 0.23 0.00 0.00 176.35 179.18 2rok h SER 479 N 1.95 0.00 -4.63 2.29 0.02 -1.88 -3.45 113.55 107.84 2rok h SER 479 Ca -0.44 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.34 2rok h SER 479 Cb 1.25 0.00 -0.22 0.00 0.14 0.00 0.00 62.40 63.56 2rok h SER 479 CO 0.60 0.23 -0.57 -1.10 -1.14 0.00 0.00 176.83 174.85 2rok s GLN 480 N -4.07 0.34 0.45 3.45 -1.52 -1.26 -5.06 119.66 111.99 2rok s GLN 480 Ca -0.02 -0.29 0.17 0.00 -1.95 0.00 0.00 55.36 53.27 2rok s GLN 480 Cb 0.13 0.14 1.12 0.00 -0.22 0.00 0.00 33.01 34.18 2rok s GLN 480 CO 0.64 -0.07 1.96 -1.35 -0.25 0.00 0.00 175.29 176.22 2rok h PRO 481 N 4.85 0.31 0.00 2.91 0.11 -1.86 -2.40 132.00 135.93 2rok h PRO 481 Ca -0.29 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.78 2rok h PRO 481 Cb 1.20 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 2rok h PRO 481 CO 0.42 0.21 -0.09 0.93 -0.21 0.00 0.00 178.00 179.25 2rok h GLU 482 N 0.32 0.00 0.00 1.05 5.08 -1.97 -2.35 114.58 116.71 2rok h GLU 482 Ca 0.31 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.63 2rok h GLU 482 Cb 0.78 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.02 2rok h GLU 482 CO -0.08 0.09 -0.20 1.96 -1.00 0.00 0.00 179.01 179.78 2rok h GLN 483 N 0.00 0.00 -0.58 2.33 4.20 -1.84 -2.95 115.11 116.26 2rok h GLN 483 Ca -0.00 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 2rok h GLN 483 Cb 0.16 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.92 2rok h GLN 483 CO 0.01 0.20 0.28 0.28 -0.67 0.00 0.00 178.83 178.93 2rok h VAL 484 N 0.00 1.21 -0.75 -0.54 2.07 -1.55 -1.52 116.25 115.16 2rok h VAL 484 Ca -0.00 -0.59 -0.05 0.00 0.82 0.00 0.00 66.70 66.88 2rok h VAL 484 Cb 0.59 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 2rok h VAL 484 CO 0.03 0.24 0.28 1.56 0.02 0.00 0.00 177.57 179.69 2rok h GLN 485 N 0.79 1.14 -0.20 1.57 4.20 -1.64 -1.37 115.11 119.59 2rok h GLN 485 Ca 0.20 -0.22 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 2rok h GLN 485 Cb 0.12 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 2rok h GLN 485 CO -0.03 0.94 0.07 0.82 -0.67 0.00 0.00 178.83 179.96 2rok h ILE 486 N 1.10 1.18 -0.73 2.54 2.04 -1.48 -1.23 117.51 120.93 2rok h ILE 486 Ca 0.25 -0.56 -0.06 0.00 1.00 0.00 0.00 64.86 65.48 2rok h ILE 486 Cb 0.25 1.18 -0.03 0.00 -0.74 0.00 0.00 36.82 37.47 2rok h ILE 486 CO -0.02 0.18 0.21 0.00 0.00 0.00 0.00 178.15 178.52 2rok h ALA 487 N 0.90 0.98 -0.54 1.87 0.00 -1.11 -0.59 119.26 120.77 2rok h ALA 487 Ca 0.07 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 2rok h ALA 487 Cb 0.21 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2rok h ALA 487 CO -0.00 0.67 0.19 0.28 0.00 0.00 0.00 179.25 180.39 2rok h VAL 488 N 1.09 1.23 -0.27 0.00 2.07 -1.21 -1.94 116.25 117.23 2rok h VAL 488 Ca 0.23 -0.74 -0.01 0.00 0.82 0.00 0.00 66.70 67.00 2rok h VAL 488 Cb 0.34 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 2rok h VAL 488 CO -0.00 0.28 0.11 -1.13 0.02 0.00 0.00 177.57 176.85 2rok h ASN 489 N 0.74 0.36 1.41 0.57 -1.24 -0.96 -3.22 115.58 113.24 2rok h ASN 489 Ca 0.18 -0.15 -0.00 0.00 0.71 0.00 0.00 56.30 57.03 2rok h ASN 489 Cb 0.24 -0.09 -0.00 0.00 0.73 0.00 0.00 38.32 39.19 2rok h ASN 489 CO -0.01 0.42 -0.02 0.71 -1.29 0.00 0.00 177.43 177.23 2rok h THR 490 N 0.28 0.05 -0.11 -3.57 1.35 -1.06 -3.12 112.91 106.73 2rok h THR 490 Ca 0.09 -0.77 0.03 0.00 -0.55 0.00 0.00 66.41 65.21 2rok h THR 490 Cb 0.16 1.74 -0.00 0.00 -1.73 0.00 0.00 68.15 68.31 2rok h THR 490 CO -0.01 0.02 0.13 0.77 -0.25 0.00 0.00 175.52 176.19 2rok h SER 491 N 0.00 0.00 -0.02 5.36 4.64 -1.36 -2.32 113.55 119.86 2rok h SER 491 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2rok h SER 491 Cb 0.73 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.82 2rok h SER 491 CO 0.00 0.00 0.18 0.50 -0.87 0.00 0.00 176.83 176.64 2rok h LYS 492 N 0.00 0.00 -0.20 4.77 3.64 -1.72 -2.61 116.57 120.45 2rok h LYS 492 Ca 0.05 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 2rok h LYS 492 Cb 0.32 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 2rok h LYS 492 CO -0.00 0.00 0.00 0.66 -2.27 0.00 0.00 179.45 177.84 2rok n TYR 493 N -3.04 0.26 -1.00 1.91 4.01 -0.87 -5.03 117.16 113.40 2rok n TYR 493 Ca -0.02 -0.24 -0.31 0.00 -0.16 0.00 0.00 57.90 57.17 2rok n TYR 493 Cb 0.24 -0.01 0.13 0.00 -0.31 0.00 0.00 39.34 39.39 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 -1.03 1.87 0.00 -0.72 0.00 -0.98 -5.00 121.76 115.89 2rok s ALA 494 Ca 0.21 0.46 0.00 0.00 0.00 0.00 0.00 51.96 52.62 2rok s ALA 494 Cb 0.12 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.87 2rok s ALA 494 CO 0.17 -2.26 0.03 -0.85 0.00 0.00 0.00 175.76 172.85 2rok n GLU 495 N -3.83 0.08 0.00 0.00 0.28 -1.26 -4.92 120.64 110.99 2rok n GLU 495 Ca 0.11 -0.03 0.00 0.00 -0.16 0.00 0.00 57.16 57.08 2rok n GLU 495 Cb 0.52 -0.42 0.00 0.00 1.43 0.00 0.00 31.44 32.98 2rok n GLU 495 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 2rok n SER 496 N -0.02 0.00 -3.54 -1.84 3.41 -1.26 -5.13 113.62 105.24 2rok n SER 496 Ca 0.00 -1.00 -0.08 0.00 -0.26 0.00 0.00 58.87 57.53 2rok n SER 496 Cb 0.17 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.12 2rok n SER 496 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 2rok s TYR 497 N 0.00 -0.00 0.04 7.33 1.13 -1.26 -4.36 117.35 120.22 2rok s TYR 497 Ca 0.00 -0.52 -0.02 0.00 -1.41 0.00 0.00 57.07 55.13 2rok s TYR 497 Cb 0.00 0.69 -0.03 0.00 -1.10 0.00 0.00 41.96 41.52 2rok s TYR 497 CO 0.00 -1.33 -0.00 1.03 -2.51 0.00 0.00 175.55 172.74 2rok s ARG 498 N -3.36 0.49 0.01 -3.49 0.52 -0.27 -4.82 118.95 108.04 2rok s ARG 498 Ca 0.14 -0.88 0.02 0.00 -0.52 0.00 0.00 55.73 54.49 2rok s ARG 498 Cb -0.05 0.18 -0.01 0.00 0.52 0.00 0.00 34.95 35.59 2rok s ARG 498 CO 0.09 -0.09 -0.06 0.42 0.02 0.00 0.00 175.30 175.68 2rok s ILE 499 N -2.68 0.45 0.29 1.52 1.01 -1.26 -1.19 121.20 119.34 2rok s ILE 499 Ca -0.05 -0.46 -0.08 0.00 0.00 0.00 0.00 60.65 60.07 2rok s ILE 499 Cb -0.01 -0.42 -0.00 0.00 0.01 0.00 0.00 42.46 42.04 2rok s ILE 499 CO -0.05 -0.02 0.47 0.00 0.00 0.00 0.00 174.94 175.34 2rok s GLN 500 N -0.52 1.70 0.77 2.79 -2.07 -0.22 -4.90 119.66 117.22 2rok s GLN 500 Ca -0.01 -1.48 -0.11 0.00 -1.82 0.00 0.00 55.36 51.93 2rok s GLN 500 Cb -0.04 0.45 0.05 0.00 -1.09 0.00 0.00 33.01 32.39 2rok s GLN 500 CO -0.00 -0.70 1.09 0.95 -1.32 0.00 0.00 175.29 175.30 2rok s THR 501 N -3.56 3.32 0.25 3.63 -4.23 -1.26 -0.53 115.64 113.25 2rok s THR 501 Ca 0.26 0.43 -0.04 0.00 -1.18 0.00 0.00 61.69 61.16 2rok s THR 501 Cb -0.00 -3.16 0.22 0.00 1.34 0.00 0.00 72.50 70.90 2rok s THR 501 CO 0.14 -0.56 1.83 0.22 -0.54 0.00 0.00 174.62 175.70 2rok h TYR 502 N -1.01 0.92 -0.62 3.99 3.20 -1.59 -2.51 116.97 119.34 2rok h TYR 502 Ca -0.46 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.37 2rok h TYR 502 Cb 1.25 -0.29 -0.03 0.00 1.54 0.00 0.00 36.73 39.21 2rok h TYR 502 CO 0.51 0.41 0.12 0.00 -1.64 0.00 0.00 178.16 177.56 2rok h ALA 503 N 1.44 1.04 -0.53 1.82 0.00 -1.90 -1.52 119.26 119.62 2rok h ALA 503 Ca 0.39 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 2rok h ALA 503 Cb 0.30 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2rok h ALA 503 CO -0.22 0.62 0.23 0.93 0.00 0.00 0.00 179.25 180.81 2rok h GLU 504 N 0.94 0.77 -0.18 0.00 5.08 -1.89 -2.77 114.58 116.54 2rok h GLU 504 Ca 0.19 -0.13 -0.00 0.00 -1.00 0.00 0.00 59.36 58.43 2rok h GLU 504 Cb 0.38 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 2rok h GLU 504 CO 0.01 0.66 0.11 -0.92 -1.00 0.00 0.00 179.01 177.86 2rok h TYR 505 N 0.71 0.24 -0.95 4.33 3.20 -1.20 -1.80 116.97 121.50 2rok h TYR 505 Ca 0.18 -0.00 0.18 0.00 3.14 0.00 0.00 58.73 62.23 2rok h TYR 505 Cb 0.16 -0.08 -0.08 0.00 1.54 0.00 0.00 36.73 38.26 2rok h TYR 505 CO 0.00 0.20 0.60 0.28 -1.64 0.00 0.00 178.16 177.61 2rok h VAL 506 N 0.22 0.74 0.05 1.81 2.07 -1.20 0.27 116.25 120.21 2rok h VAL 506 Ca 0.07 -0.22 -0.11 0.00 0.82 0.00 0.00 66.70 67.26 2rok h VAL 506 Cb 0.03 0.03 0.01 0.00 -1.52 0.00 0.00 31.29 29.84 2rok h VAL 506 CO -0.01 0.12 -0.44 1.23 0.02 0.00 0.00 177.57 178.49 2rok h GLY 507 N 0.65 0.24 2.00 2.17 0.00 -1.33 -3.37 103.07 103.44 2rok h GLY 507 Ca 0.51 -0.52 -0.06 0.00 0.00 0.00 0.00 47.33 47.26 2rok h GLY 507 CO -0.27 0.46 -0.29 0.50 0.00 0.00 0.00 176.54 176.94 2rok h LYS 508 N -0.50 0.00 -0.20 4.80 1.57 -0.89 -3.15 116.57 118.20 2rok h LYS 508 Ca -0.07 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.75 2rok h LYS 508 Cb 1.26 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.56 2rok h LYS 508 CO 0.08 0.29 0.14 -0.22 -0.57 0.00 0.00 179.45 179.17 2rok h LYS 509 N 0.00 0.10 -6.07 3.15 3.11 -1.12 -3.41 116.57 112.33 2rok h LYS 509 Ca -0.00 -0.01 -0.51 0.00 -2.81 0.00 0.00 60.65 57.32 2rok h LYS 509 Cb 0.89 -0.02 -0.04 0.00 -1.00 0.00 0.00 32.23 32.05 2rok h LYS 509 CO 0.04 0.06 1.30 -0.65 -2.81 0.00 0.00 179.45 177.39 2rok s GLN 510 N -5.14 2.77 0.08 1.90 -0.21 -1.19 -4.95 119.66 112.92 2rok s GLN 510 Ca -0.06 0.50 -0.01 0.00 0.02 0.00 0.00 55.36 55.81 2rok s GLN 510 Cb 0.18 -4.34 -0.04 0.00 1.00 0.00 0.00 33.01 29.81 2rok s GLN 510 CO 0.70 -2.58 0.01 0.15 -2.12 0.00 0.00 175.29 171.45 2rok s LYS 511 N 6.73 0.74 0.00 2.91 1.02 -1.26 -5.07 119.74 124.80 2rok s LYS 511 Ca 0.62 -1.29 0.00 0.00 0.02 0.00 0.00 55.97 55.32 2rok s LYS 511 Cb -0.12 0.23 0.00 0.00 -0.52 0.00 0.00 37.83 37.42 2rok s LYS 511 CO 0.20 -0.17 0.13 0.41 -0.92 0.00 0.00 175.35 175.00 2rok n GLY 512 N 0.03 -0.07 0.00 -3.33 0.00 -1.26 -4.93 105.19 95.63 2rok n GLY 512 Ca -0.11 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.93 2rok n GLY 512 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2rok n LYS 513 N 0.00 5.54 -0.18 1.61 3.00 -1.26 -4.65 118.16 122.23 2rok n LYS 513 Ca 0.00 -0.01 0.04 0.00 -0.00 0.00 0.00 58.31 58.33 2rok n LYS 513 Cb 0.34 -0.70 0.05 0.00 0.00 0.00 0.00 35.03 34.72 2rok n LYS 513 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 2rok n GLN 514 N -1.07 1.01 0.00 1.64 6.02 -1.26 -4.81 117.38 118.91 2rok n GLN 514 Ca 0.01 -1.61 0.00 0.00 -0.01 0.00 0.00 57.00 55.39 2rok n GLN 514 Cb 0.06 -0.96 0.00 0.00 1.02 0.00 0.00 30.24 30.36 2rok n GLN 514 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 2rok n VAL 515 N -0.63 0.11 1.40 5.09 0.24 -1.26 -4.76 118.33 118.52 2rok n VAL 515 Ca 0.06 -0.32 0.12 0.00 -2.04 0.00 0.00 64.34 62.17 2rok n VAL 515 Cb 0.57 1.33 0.70 0.00 -1.47 0.00 0.00 33.84 34.96 2rok n VAL 515 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2rok n LYS 516 N -0.05 0.60 -4.20 7.34 5.02 -1.26 -4.89 118.16 120.71 2rok n LYS 516 Ca 0.00 0.03 -0.14 0.00 -2.02 0.00 0.00 58.31 56.18 2rok n LYS 516 Cb 0.17 -1.50 -0.09 0.00 -0.02 0.00 0.00 35.03 33.59 2rok n LYS 516 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2rok s SER 517 N -2.26 0.54 -0.42 4.39 1.04 -1.26 -5.13 113.70 110.60 2rok s SER 517 Ca 0.32 -1.45 0.08 0.00 0.48 0.00 0.00 55.95 55.37 2rok s SER 517 Cb 0.17 0.45 0.28 0.00 0.10 0.00 0.00 66.02 67.02 2rok s SER 517 CO 0.33 -0.94 0.72 0.61 0.98 0.00 0.00 173.24 174.95 2rok n GLY 518 N -0.38 2.06 0.19 7.32 0.00 -1.26 -5.01 105.19 108.11 2rok n GLY 518 Ca 0.03 -0.99 0.14 0.00 0.00 0.00 0.00 46.02 45.20 2rok n GLY 518 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2rok h PRO 519 N 3.67 0.00 0.00 1.61 0.13 -2.00 -3.34 132.00 132.07 2rok h PRO 519 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2rok h PRO 519 Cb 0.96 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.09 2rok h PRO 519 CO 0.40 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.04 2rok n SER 520 N -2.61 0.00 -3.73 1.44 3.41 -1.26 -5.13 113.62 105.74 2rok n SER 520 Ca 0.02 -1.00 -0.10 0.00 -0.26 0.00 0.00 58.87 57.53 2rok n SER 520 Cb 0.27 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.18 2rok n SER 520 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2rok s SER 521 N 0.00 -0.27 0.00 4.04 1.04 -1.25 -5.12 113.70 112.14 2rok s SER 521 Ca 0.00 -0.47 0.00 0.00 0.48 0.00 0.00 55.95 55.96 2rok s SER 521 Cb 0.00 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.70 2rok s SER 521 CO 0.00 -1.05 0.00 0.61 0.98 0.00 0.00 173.24 173.78