#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rok h SER 424 N 0.00 0.00 0.00 1.61 0.02 -2.05 -3.24 113.55 109.89 2rok h SER 424 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2rok h SER 424 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2rok h SER 424 CO 0.00 0.00 0.00 -1.20 -1.14 0.00 0.00 176.83 174.49 2rok n SER 425 N -3.01 0.29 0.00 3.07 7.64 -1.26 -5.13 113.62 115.22 2rok n SER 425 Ca -0.02 -1.13 0.00 0.00 1.01 0.00 0.00 58.87 58.74 2rok n SER 425 Cb 0.14 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.34 2rok n SER 425 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2rok n GLY 426 N -0.06 -0.57 0.00 0.23 0.00 -1.22 -5.06 105.19 98.50 2rok n GLY 426 Ca 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.89 2rok n GLY 426 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2rok n SER 427 N 0.00 0.10 -0.68 1.61 3.41 -1.26 -1.22 113.62 115.57 2rok n SER 427 Ca 0.00 -1.02 0.00 0.00 -0.26 0.00 0.00 58.87 57.60 2rok n SER 427 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2rok n SER 427 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2rok n SER 428 N -0.01 0.14 -3.65 4.04 2.88 -1.26 -4.98 113.62 110.78 2rok n SER 428 Ca 0.00 -1.88 0.01 0.00 -1.33 0.00 0.00 58.87 55.67 2rok n SER 428 Cb 0.29 -0.18 -0.00 0.00 -0.75 0.00 0.00 64.21 63.57 2rok n SER 428 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2rok s GLY 429 N -1.04 -0.31 0.00 0.46 0.00 -1.26 -5.20 107.32 99.96 2rok s GLY 429 Ca 0.06 0.46 0.00 0.00 0.00 0.00 0.00 44.72 45.23 2rok s GLY 429 CO -0.03 1.12 0.00 0.61 0.00 0.00 0.00 173.10 174.80 2rok n GLY 430 N -0.57 -1.12 3.56 0.20 0.00 -1.26 -4.80 105.19 101.21 2rok n GLY 430 Ca -0.06 -1.06 -0.30 0.00 0.00 0.00 0.00 46.02 44.60 2rok n GLY 430 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2rok s PRO 431 N -1.39 -1.32 -1.84 1.61 0.04 -1.26 -4.15 135.00 126.68 2rok s PRO 431 Ca 0.00 0.03 0.00 0.00 0.04 0.00 0.00 61.00 61.07 2rok s PRO 431 Cb 0.00 -1.58 0.00 0.00 0.04 0.00 0.00 34.50 32.96 2rok s PRO 431 CO 0.00 -3.79 0.00 -3.47 0.04 0.00 0.00 177.00 169.78 2rok n ASP 432 N -4.84 -5.14 0.00 6.66 2.03 -1.26 -4.84 116.55 109.17 2rok n ASP 432 Ca 0.12 0.29 0.00 0.00 0.52 0.00 0.00 54.79 55.73 2rok n ASP 432 Cb 0.59 -4.47 0.00 0.00 -0.72 0.00 0.00 41.12 36.52 2rok n ASP 432 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2rok n LEU 433 N -2.53 1.04 -3.83 -2.67 4.77 -1.26 -5.07 117.00 107.45 2rok n LEU 433 Ca -0.20 -1.04 -0.31 0.00 -0.03 0.00 0.00 56.01 54.43 2rok n LEU 433 Cb 0.64 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.74 2rok n LEU 433 CO 0.28 0.26 -0.19 0.00 -1.33 0.00 0.00 177.39 176.41 2rok n GLN 434 N -0.20 -0.87 0.19 3.23 6.02 -1.26 -4.86 117.38 119.63 2rok n GLN 434 Ca 0.00 0.34 0.18 0.00 -0.01 0.00 0.00 57.00 57.51 2rok n GLN 434 Cb 0.25 -1.96 0.77 0.00 1.02 0.00 0.00 30.24 30.31 2rok n GLN 434 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 2rok h PRO 435 N -0.98 0.00 -4.20 -1.09 0.11 -1.98 -3.41 132.00 120.46 2rok h PRO 435 Ca -0.60 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.24 2rok h PRO 435 Cb 1.23 0.00 -0.26 0.00 0.11 0.00 0.00 31.00 32.08 2rok h PRO 435 CO 0.38 0.00 -0.74 0.15 -0.21 0.00 0.00 178.00 177.59 2rok s LYS 436 N -4.42 0.34 -0.00 1.05 1.02 -1.26 -5.05 119.74 111.42 2rok s LYS 436 Ca -0.04 -0.30 0.00 0.00 0.02 0.00 0.00 55.97 55.66 2rok s LYS 436 Cb 0.13 -0.24 0.01 0.00 -0.52 0.00 0.00 37.83 37.20 2rok s LYS 436 CO 0.44 0.06 0.74 0.54 -0.92 0.00 0.00 175.35 176.21 2rok n ARG 437 N 2.55 0.12 0.32 1.68 1.74 -1.26 -4.90 116.66 116.91 2rok n ARG 437 Ca -0.16 -0.79 0.21 0.00 -0.77 0.00 0.00 57.85 56.35 2rok n ARG 437 Cb 0.58 -0.54 1.06 0.00 -1.02 0.00 0.00 32.46 32.53 2rok n ARG 437 CO 0.00 0.00 0.00 0.22 -1.52 0.00 0.00 177.63 176.33 2rok h ASP 438 N 0.00 0.00 -0.52 0.55 3.58 -1.99 -1.63 116.42 116.42 2rok h ASP 438 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2rok h ASP 438 Cb 1.15 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.20 2rok h ASP 438 CO 0.00 0.00 0.00 0.00 -2.88 0.00 0.00 179.24 176.36 2rok n HIS 439 N -3.04 0.95 -5.12 0.28 1.44 -1.26 -4.58 115.22 103.89 2rok n HIS 439 Ca -0.02 -0.41 -0.31 0.00 -2.01 0.00 0.00 57.72 54.97 2rok n HIS 439 Cb 0.13 -0.11 -0.15 0.00 0.12 0.00 0.00 29.99 29.98 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 -1.55 2.08 0.37 0.61 1.01 -0.61 -1.49 120.40 120.81 2rok s VAL 440 Ca 0.38 -1.23 0.08 0.00 0.00 0.00 0.00 61.98 61.21 2rok s VAL 440 Cb 0.22 -1.75 -0.06 0.00 0.00 0.00 0.00 36.38 34.79 2rok s VAL 440 CO 0.21 0.48 0.02 -0.76 0.00 0.00 0.00 175.10 175.06 2rok s LEU 441 N -0.89 2.94 0.01 3.92 1.43 0.02 -2.06 118.68 124.05 2rok s LEU 441 Ca 0.11 -1.11 0.07 0.00 -1.03 0.00 0.00 54.13 52.16 2rok s LEU 441 Cb -0.10 -1.22 -0.02 0.00 0.03 0.00 0.00 46.19 44.88 2rok s LEU 441 CO 0.00 -0.32 -0.21 -2.28 0.23 0.00 0.00 176.35 173.77 2rok s HIS 442 N -2.58 1.88 -0.01 0.29 5.65 0.30 -1.08 115.29 119.73 2rok s HIS 442 Ca 0.35 -0.37 0.02 0.00 0.25 0.00 0.00 55.06 55.32 2rok s HIS 442 Cb 0.03 -1.17 -0.00 0.00 -1.18 0.00 0.00 32.58 30.26 2rok s HIS 442 CO 0.19 0.03 -0.06 0.08 -0.65 0.00 0.00 174.74 174.32 2rok s VAL 443 N -0.64 0.53 -0.04 0.89 1.01 -0.05 -1.35 120.40 120.76 2rok s VAL 443 Ca 0.08 -0.27 0.05 0.00 0.00 0.00 0.00 61.98 61.84 2rok s VAL 443 Cb -0.08 -0.46 -0.00 0.00 0.00 0.00 0.00 36.38 35.83 2rok s VAL 443 CO 0.00 0.16 -0.18 -0.89 0.00 0.00 0.00 175.10 174.20 2rok s THR 444 N -0.01 1.49 0.02 3.92 2.01 -0.29 -2.07 115.64 120.70 2rok s THR 444 Ca 0.01 -0.75 -0.22 0.00 0.31 0.00 0.00 61.69 61.03 2rok s THR 444 Cb -0.04 -1.27 0.05 0.00 0.01 0.00 0.00 72.50 71.24 2rok s THR 444 CO -0.00 0.43 0.50 0.72 -0.69 0.00 0.00 174.62 175.57 2rok s PHE 445 N -0.03 -0.40 0.52 4.92 -0.12 -0.53 -1.37 117.98 120.97 2rok s PHE 445 Ca -0.03 0.51 -0.20 0.00 -0.05 0.00 0.00 56.93 57.16 2rok s PHE 445 Cb -0.11 0.30 -0.08 0.00 -0.63 0.00 0.00 43.02 42.50 2rok s PHE 445 CO 0.02 -0.59 0.85 -2.30 -0.05 0.00 0.00 175.22 173.15 2rok n PRO 446 N 0.62 0.94 0.29 1.99 -0.02 -1.26 -4.47 135.00 133.10 2rok n PRO 446 Ca -0.19 0.35 0.18 0.00 -2.02 0.00 0.00 63.50 61.82 2rok n PRO 446 Cb 0.59 -1.98 0.96 0.00 -0.02 0.00 0.00 33.50 33.05 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 0.80 0.00 0.00 -0.52 2.10 -1.93 -1.87 116.57 115.15 2rok h LYS 447 Ca -0.46 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.19 2rok h LYS 447 Cb 1.37 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.70 2rok h LYS 447 CO 0.52 0.00 -0.10 0.93 -2.00 0.00 0.00 179.45 178.80 2rok h GLU 448 N 0.00 0.00 -7.13 0.07 5.08 -1.90 -3.47 114.58 107.23 2rok h GLU 448 Ca 0.00 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.81 2rok h GLU 448 Cb 0.19 0.00 0.15 0.00 0.50 0.00 0.00 28.75 29.59 2rok h GLU 448 CO 0.00 0.00 0.47 -1.58 -1.00 0.00 0.00 179.01 176.90 2rok s TRP 449 N -3.13 2.09 0.35 4.33 0.52 -0.71 -5.06 118.94 117.33 2rok s TRP 449 Ca 0.09 1.53 0.09 0.00 0.02 0.00 0.00 56.10 57.83 2rok s TRP 449 Cb 0.11 -3.60 -0.06 0.00 -1.15 0.00 0.00 33.47 28.77 2rok s TRP 449 CO 0.63 -2.76 -0.06 0.15 0.02 0.00 0.00 176.95 174.93 2rok s LYS 450 N -3.55 1.89 0.43 4.98 -0.14 -1.26 -5.02 119.74 117.07 2rok s LYS 450 Ca 0.79 -1.91 0.19 0.00 -1.36 0.00 0.00 55.97 53.68 2rok s LYS 450 Cb -0.34 -1.75 1.12 0.00 -1.68 0.00 0.00 37.83 35.18 2rok s LYS 450 CO 0.41 0.12 1.85 1.15 -0.76 0.00 0.00 175.35 178.13 2rok h THR 451 N 1.95 0.66 -0.52 2.17 2.02 -1.99 -1.50 112.91 115.70 2rok h THR 451 Ca -0.42 -0.13 -0.08 0.00 0.77 0.00 0.00 66.41 66.55 2rok h THR 451 Cb 1.25 0.26 -0.02 0.00 -1.74 0.00 0.00 68.15 67.90 2rok h THR 451 CO 0.70 0.07 0.02 0.28 0.37 0.00 0.00 175.52 176.96 2rok h SER 452 N 0.37 0.88 0.12 4.18 0.02 -1.98 -0.11 113.55 117.03 2rok h SER 452 Ca 0.47 -0.30 -0.06 0.00 -0.84 0.00 0.00 61.79 61.07 2rok h SER 452 Cb 1.23 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.53 2rok h SER 452 CO -0.17 0.96 -0.20 0.44 -1.14 0.00 0.00 176.83 176.73 2rok h ASP 453 N 0.78 0.15 -0.09 3.07 3.32 -1.70 -0.74 116.42 121.21 2rok h ASP 453 Ca 0.15 -0.03 -0.05 0.00 0.02 0.00 0.00 57.03 57.12 2rok h ASP 453 Cb 0.50 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 40.01 2rok h ASP 453 CO 0.02 0.36 -0.12 -0.07 -1.72 0.00 0.00 179.24 177.71 2rok h LEU 454 N 0.15 0.26 -1.80 1.55 3.38 -1.09 -0.68 115.31 117.08 2rok h LEU 454 Ca 0.03 -0.52 0.00 0.00 0.09 0.00 0.00 57.88 57.48 2rok h LEU 454 Cb 0.44 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 2rok h LEU 454 CO 0.03 0.73 0.14 1.88 0.09 0.00 0.00 178.44 181.31 2rok h TYR 455 N -0.20 0.26 -0.28 1.13 -1.99 -0.86 -2.16 116.97 112.87 2rok h TYR 455 Ca 0.01 0.01 -0.12 0.00 2.00 0.00 0.00 58.73 60.63 2rok h TYR 455 Cb 0.67 -0.09 -0.00 0.00 2.00 0.00 0.00 36.73 39.30 2rok h TYR 455 CO 0.10 0.16 -0.29 0.37 -0.00 0.00 0.00 178.16 178.50 2rok h GLN 456 N 0.28 0.69 -0.31 4.88 -0.00 -1.04 -1.68 115.11 117.93 2rok h GLN 456 Ca 0.08 -0.37 -0.02 0.00 -0.00 0.00 0.00 58.65 58.34 2rok h GLN 456 Cb -0.02 0.01 -0.02 0.00 0.00 0.00 0.00 27.48 27.46 2rok h GLN 456 CO -0.02 0.98 0.09 1.25 0.00 0.00 0.00 178.83 181.14 2rok h LEU 457 N 0.43 0.40 -3.00 -2.39 5.85 -0.60 -2.82 115.31 113.19 2rok h LEU 457 Ca 0.04 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2rok h LEU 457 Cb 0.86 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.79 2rok h LEU 457 CO 0.07 0.40 0.00 0.49 -0.34 0.00 0.00 178.44 179.06 2rok n PHE 458 N -4.38 0.78 0.06 1.25 3.72 -0.86 -4.65 117.46 113.38 2rok n PHE 458 Ca 0.01 -0.60 0.16 0.00 -0.05 0.00 0.00 57.45 56.98 2rok n PHE 458 Cb 0.16 -0.12 0.66 0.00 -0.94 0.00 0.00 39.48 39.24 2rok n PHE 458 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 2rok h SER 459 N 2.50 0.03 0.00 4.37 0.87 -1.03 -1.93 113.55 118.37 2rok h SER 459 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2rok h SER 459 Cb 1.02 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.98 2rok h SER 459 CO 0.09 0.02 0.05 0.00 -0.53 0.00 0.00 176.83 176.46 2rok n ALA 460 N -2.60 0.97 0.44 6.23 0.00 -1.26 -2.49 120.51 121.79 2rok n ALA 460 Ca 0.06 0.19 0.05 0.00 0.00 0.00 0.00 53.44 53.74 2rok n ALA 460 Cb 0.44 -1.23 -0.00 0.00 0.00 0.00 0.00 19.45 18.66 2rok n ALA 460 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2rok n PHE 461 N -2.22 0.00 0.00 0.00 3.72 -0.72 -5.03 117.46 113.20 2rok n PHE 461 Ca -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 2rok n PHE 461 Cb 0.08 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.62 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 0.89 1.50 3.12 1.37 0.00 -1.04 -4.83 105.19 106.20 2rok n GLY 462 Ca 0.04 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.30 0.27 1.61 2.47 -1.26 -5.07 114.94 112.66 2rok s ASN 463 Ca 0.00 0.64 -0.04 0.00 0.42 0.00 0.00 52.86 53.88 2rok s ASN 463 Cb 0.00 0.54 -0.02 0.00 -1.45 0.00 0.00 41.25 40.33 2rok s ASN 463 CO 0.00 -0.18 0.36 0.27 -3.72 0.00 0.00 177.10 173.83 2rok s ILE 464 N 1.40 0.00 -0.01 -5.21 -4.36 -1.26 -3.92 121.20 107.84 2rok s ILE 464 Ca -0.09 -1.70 -0.03 0.00 -0.26 0.00 0.00 60.65 58.58 2rok s ILE 464 Cb -0.10 -2.45 -0.00 0.00 1.25 0.00 0.00 42.46 41.15 2rok s ILE 464 CO -0.10 0.00 0.06 -1.58 0.24 0.00 0.00 174.94 173.56 2rok s GLN 465 N -3.70 0.22 -0.05 0.37 0.74 -1.03 -4.99 119.66 111.22 2rok s GLN 465 Ca 0.32 -0.18 0.03 0.00 0.05 0.00 0.00 55.36 55.58 2rok s GLN 465 Cb 0.02 0.09 0.00 0.00 1.10 0.00 0.00 33.01 34.22 2rok s GLN 465 CO 0.15 -0.04 -0.15 0.42 -0.55 0.00 0.00 175.29 175.12 2rok s ILE 466 N -0.62 1.28 -0.26 -2.34 1.01 -1.26 -1.00 121.20 118.00 2rok s ILE 466 Ca -0.07 -0.61 -0.03 0.00 0.00 0.00 0.00 60.65 59.94 2rok s ILE 466 Cb -0.04 -1.12 0.09 0.00 0.01 0.00 0.00 42.46 41.39 2rok s ILE 466 CO 0.00 0.38 0.10 -0.44 0.00 0.00 0.00 174.94 174.98 2rok s SER 467 N 0.24 3.39 0.88 3.58 0.01 -0.61 -5.01 113.70 116.19 2rok s SER 467 Ca -0.07 -1.20 -0.11 0.00 1.31 0.00 0.00 55.95 55.88 2rok s SER 467 Cb -0.12 -0.51 0.13 0.00 0.21 0.00 0.00 66.02 65.72 2rok s SER 467 CO 0.03 -0.40 1.16 0.26 0.41 0.00 0.00 173.24 174.70 2rok s TRP 468 N 1.93 1.70 0.00 2.43 0.52 -1.26 -0.59 118.94 123.67 2rok s TRP 468 Ca 0.06 1.76 0.00 0.00 0.02 0.00 0.00 56.10 57.94 2rok s TRP 468 Cb -0.17 -3.38 0.00 0.00 -1.15 0.00 0.00 33.47 28.78 2rok s TRP 468 CO -0.25 -2.79 0.00 -0.89 0.02 0.00 0.00 176.95 173.04 2rok n ILE 469 N -3.94 0.00 -3.85 2.03 5.41 -0.40 -4.79 119.36 113.82 2rok n ILE 469 Ca 0.12 0.00 -0.10 0.00 1.00 0.00 0.00 62.75 63.77 2rok n ILE 469 Cb 0.52 -0.25 -0.00 0.00 -0.71 0.00 0.00 39.64 39.20 2rok n ILE 469 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 2rok n ASP 470 N -0.90 -1.58 0.32 4.38 -0.08 -0.76 -4.96 116.55 112.97 2rok n ASP 470 Ca 0.00 -2.53 0.21 0.00 -1.51 0.00 0.00 54.79 50.96 2rok n ASP 470 Cb 0.13 2.76 1.10 0.00 2.34 0.00 0.00 41.12 47.45 2rok n ASP 470 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 2rok h ASP 471 N 1.73 0.00 0.00 1.67 3.32 -1.98 -3.23 116.42 117.92 2rok h ASP 471 Ca -0.26 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.79 2rok h ASP 471 Cb 1.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.61 2rok h ASP 471 CO 0.35 0.00 0.00 0.35 -1.72 0.00 0.00 179.24 178.22 2rok n THR 472 N -3.03 0.22 -3.82 0.35 -2.24 -1.26 -4.37 114.28 100.12 2rok n THR 472 Ca -0.02 -0.30 -0.12 0.00 -2.27 0.00 0.00 64.05 61.33 2rok n THR 472 Cb 0.11 1.16 -0.13 0.00 -2.10 0.00 0.00 70.33 69.37 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 -0.22 -0.15 0.05 3.42 0.01 -1.22 -1.45 113.70 114.14 2rok s SER 473 Ca 0.00 0.30 -0.15 0.00 1.31 0.00 0.00 55.95 57.40 2rok s SER 473 Cb 0.00 0.30 0.03 0.00 0.21 0.00 0.00 66.02 66.55 2rok s SER 473 CO 0.00 -0.05 0.34 0.00 0.41 0.00 0.00 173.24 173.94 2rok s ALA 474 N 0.09 -0.79 0.25 1.44 0.00 -0.88 -1.27 121.76 120.60 2rok s ALA 474 Ca -0.00 0.09 -0.11 0.00 0.00 0.00 0.00 51.96 51.94 2rok s ALA 474 Cb -0.01 0.35 -0.08 0.00 0.00 0.00 0.00 23.12 23.38 2rok s ALA 474 CO 0.00 -0.44 0.60 -0.06 0.00 0.00 0.00 175.76 175.86 2rok s PHE 475 N -2.62 3.42 -0.11 0.00 0.08 0.24 -0.87 117.98 118.11 2rok s PHE 475 Ca -0.04 0.98 -0.03 0.00 0.12 0.00 0.00 56.93 57.96 2rok s PHE 475 Cb -0.01 -2.34 0.04 0.00 -0.57 0.00 0.00 43.02 40.14 2rok s PHE 475 CO -0.04 0.23 0.04 0.08 -0.10 0.00 0.00 175.22 175.43 2rok s VAL 476 N -1.85 0.20 0.28 -0.44 1.01 -0.24 -1.57 120.40 117.79 2rok s VAL 476 Ca 0.49 -0.03 -0.27 0.00 0.00 0.00 0.00 61.98 62.17 2rok s VAL 476 Cb -0.11 -0.57 -0.09 0.00 0.00 0.00 0.00 36.38 35.61 2rok s VAL 476 CO 0.20 0.02 0.92 -0.44 0.00 0.00 0.00 175.10 175.79 2rok s SER 477 N 2.03 7.44 0.29 3.32 0.01 -0.17 -0.80 113.70 125.81 2rok s SER 477 Ca 0.03 1.84 0.12 0.00 1.31 0.00 0.00 55.95 59.25 2rok s SER 477 Cb -0.14 -2.58 -0.05 0.00 0.21 0.00 0.00 66.02 63.46 2rok s SER 477 CO -0.06 0.04 -0.18 -0.76 0.41 0.00 0.00 173.24 172.69 2rok s LEU 478 N -1.67 2.63 0.53 2.44 1.43 -0.56 -2.45 118.68 121.03 2rok s LEU 478 Ca 0.45 -1.04 0.22 0.00 -1.03 0.00 0.00 54.13 52.74 2rok s LEU 478 Cb -0.21 -1.11 1.44 0.00 0.03 0.00 0.00 46.19 46.34 2rok s LEU 478 CO 0.27 0.00 2.14 0.28 0.23 0.00 0.00 176.35 179.27 2rok h SER 479 N 2.22 0.00 -5.04 2.29 0.02 -1.87 -3.44 113.55 107.73 2rok h SER 479 Ca -0.40 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.41 2rok h SER 479 Cb 1.26 0.00 -0.19 0.00 0.14 0.00 0.00 62.40 63.61 2rok h SER 479 CO 0.62 0.06 -0.50 -1.10 -1.14 0.00 0.00 176.83 174.76 2rok s GLN 480 N -4.68 0.55 0.16 3.45 1.11 -1.26 -5.05 119.66 113.95 2rok s GLN 480 Ca -0.04 -0.59 0.19 0.00 0.01 0.00 0.00 55.36 54.92 2rok s GLN 480 Cb 0.15 0.22 0.81 0.00 -1.01 0.00 0.00 33.01 33.19 2rok s GLN 480 CO 0.62 -0.14 1.58 -0.35 0.01 0.00 0.00 175.29 177.01 2rok n PRO 481 N 1.07 0.11 -0.16 2.91 -0.04 -1.26 -2.12 135.00 135.51 2rok n PRO 481 Ca -0.21 0.39 -0.08 0.00 -0.04 0.00 0.00 63.50 63.57 2rok n PRO 481 Cb 0.57 -1.73 0.07 0.00 -0.04 0.00 0.00 33.50 32.36 2rok n PRO 481 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2rok h GLU 482 N 0.00 0.95 0.00 0.54 4.81 -1.96 -3.26 114.58 115.66 2rok h GLU 482 Ca 0.00 -0.32 -0.08 0.00 -0.13 0.00 0.00 59.36 58.83 2rok h GLU 482 Cb 0.26 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 2rok h GLU 482 CO 0.00 0.98 -0.39 1.96 -0.73 0.00 0.00 179.01 180.83 2rok h GLN 483 N 0.86 0.00 -0.70 1.92 1.08 -1.85 -3.03 115.11 113.40 2rok h GLN 483 Ca 0.15 0.00 0.09 0.00 -1.45 0.00 0.00 58.65 57.43 2rok h GLN 483 Cb 0.60 0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 27.96 2rok h GLN 483 CO 0.04 0.39 0.35 0.28 -0.95 0.00 0.00 178.83 178.93 2rok h VAL 484 N 0.00 0.86 -0.41 -0.54 2.07 -1.61 -2.12 116.25 114.50 2rok h VAL 484 Ca -0.00 -0.20 -0.07 0.00 0.82 0.00 0.00 66.70 67.24 2rok h VAL 484 Cb 1.03 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 2rok h VAL 484 CO 0.05 0.11 -0.05 1.56 0.02 0.00 0.00 177.57 179.26 2rok h GLN 485 N 0.59 0.69 -0.15 1.57 4.20 -1.64 -2.43 115.11 117.95 2rok h GLN 485 Ca 0.34 -0.19 -0.02 0.00 0.06 0.00 0.00 58.65 58.84 2rok h GLN 485 Cb 0.35 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 2rok h GLN 485 CO -0.26 0.74 0.03 0.82 -0.67 0.00 0.00 178.83 179.49 2rok h ILE 486 N 0.64 1.20 -0.36 2.54 2.04 -1.48 -1.68 117.51 120.43 2rok h ILE 486 Ca 0.12 -0.65 -0.06 0.00 1.00 0.00 0.00 64.86 65.28 2rok h ILE 486 Cb 0.48 1.35 -0.02 0.00 -0.74 0.00 0.00 36.82 37.89 2rok h ILE 486 CO 0.02 0.19 -0.02 0.00 0.00 0.00 0.00 178.15 178.35 2rok h ALA 487 N 0.83 1.31 -0.57 1.87 0.00 -1.27 -0.80 119.26 120.63 2rok h ALA 487 Ca 0.05 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 2rok h ALA 487 Cb 0.27 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2rok h ALA 487 CO 0.00 0.47 0.04 0.28 0.00 0.00 0.00 179.25 180.04 2rok h VAL 488 N 0.54 1.26 -0.62 0.00 2.07 -1.39 -2.47 116.25 115.64 2rok h VAL 488 Ca 0.11 -1.07 -0.03 0.00 0.82 0.00 0.00 66.70 66.54 2rok h VAL 488 Cb 0.37 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 30.95 2rok h VAL 488 CO 0.01 0.39 0.28 -1.13 0.02 0.00 0.00 177.57 177.14 2rok h ASN 489 N 0.87 0.83 0.53 0.57 -1.24 -0.63 -3.16 115.58 113.35 2rok h ASN 489 Ca 0.17 -0.14 -0.15 0.00 0.71 0.00 0.00 56.30 56.88 2rok h ASN 489 Cb 0.49 -0.21 -0.02 0.00 0.73 0.00 0.00 38.32 39.31 2rok h ASN 489 CO 0.02 0.74 -0.66 0.71 -1.29 0.00 0.00 177.43 176.96 2rok h THR 490 N 0.86 1.44 0.00 -3.57 1.35 -1.16 -3.02 112.91 108.81 2rok h THR 490 Ca 0.21 -2.18 0.00 0.00 -0.55 0.00 0.00 66.41 63.89 2rok h THR 490 Cb 0.15 2.16 0.00 0.00 -1.73 0.00 0.00 68.15 68.72 2rok h THR 490 CO -0.02 0.63 0.00 -1.28 -0.25 0.00 0.00 175.52 174.60 2rok h SER 491 N 0.08 0.00 -0.09 5.36 0.87 -1.40 -3.16 113.55 115.21 2rok h SER 491 Ca -0.01 0.00 0.03 0.00 -1.23 0.00 0.00 61.79 60.57 2rok h SER 491 Cb 1.18 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.13 2rok h SER 491 CO 0.09 0.00 0.26 0.50 -0.53 0.00 0.00 176.83 177.15 2rok h LYS 492 N 0.00 0.00 0.00 2.24 1.63 -1.56 -2.57 116.57 116.31 2rok h LYS 492 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2rok h LYS 492 Cb 0.21 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.84 2rok h LYS 492 CO 0.00 0.00 -0.08 0.66 -3.45 0.00 0.00 179.45 176.58 2rok n TYR 493 N -3.22 0.00 -0.92 1.91 4.01 -1.19 -5.08 117.16 112.67 2rok n TYR 493 Ca -0.00 -0.62 -0.31 0.00 -0.16 0.00 0.00 57.90 56.80 2rok n TYR 493 Cb 0.34 -0.09 0.14 0.00 -0.31 0.00 0.00 39.34 39.41 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 -1.68 1.75 0.00 -0.72 0.00 -0.97 -5.00 121.76 115.14 2rok s ALA 494 Ca 0.16 0.53 0.00 0.00 0.00 0.00 0.00 51.96 52.64 2rok s ALA 494 Cb 0.14 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.85 2rok s ALA 494 CO 0.01 -2.41 0.01 -1.91 0.00 0.00 0.00 175.76 171.47 2rok n GLU 495 N -3.90 1.29 0.00 0.00 2.13 -1.26 -4.90 120.64 113.99 2rok n GLU 495 Ca 0.11 -0.01 0.00 0.00 0.66 0.00 0.00 57.16 57.92 2rok n GLU 495 Cb 0.52 -0.16 0.00 0.00 0.27 0.00 0.00 31.44 32.07 2rok n GLU 495 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 2rok n SER 496 N -0.19 0.00 -3.27 4.31 3.41 -1.26 -5.12 113.62 111.50 2rok n SER 496 Ca 0.00 -1.00 -0.09 0.00 -0.26 0.00 0.00 58.87 57.52 2rok n SER 496 Cb 0.02 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 63.97 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 0.22 -0.03 7.33 1.13 -1.26 -4.38 117.35 120.35 2rok s TYR 497 Ca 0.00 -0.75 -0.11 0.00 -1.41 0.00 0.00 57.07 54.80 2rok s TYR 497 Cb 0.00 0.62 0.02 0.00 -1.10 0.00 0.00 41.96 41.49 2rok s TYR 497 CO 0.00 -1.39 0.25 0.50 -2.51 0.00 0.00 175.55 172.40 2rok s ARG 498 N -2.92 0.52 0.01 -3.49 3.52 -0.47 -4.81 118.95 111.30 2rok s ARG 498 Ca 0.17 -0.10 0.04 0.00 -0.13 0.00 0.00 55.73 55.72 2rok s ARG 498 Cb -0.04 0.23 -0.01 0.00 -1.56 0.00 0.00 34.95 33.56 2rok s ARG 498 CO 0.12 -0.12 -0.14 0.42 -0.81 0.00 0.00 175.30 174.77 2rok s ILE 499 N -0.94 1.08 0.13 4.11 1.01 -1.26 -1.14 121.20 124.20 2rok s ILE 499 Ca -0.10 -0.73 -0.08 0.00 0.00 0.00 0.00 60.65 59.74 2rok s ILE 499 Cb -0.05 -0.93 -0.01 0.00 0.01 0.00 0.00 42.46 41.48 2rok s ILE 499 CO 0.02 0.20 0.22 0.00 0.00 0.00 0.00 174.94 175.38 2rok s GLN 500 N -0.61 1.01 0.87 2.79 -2.07 -0.45 -4.84 119.66 116.36 2rok s GLN 500 Ca 0.04 -1.11 -0.11 0.00 -1.82 0.00 0.00 55.36 52.35 2rok s GLN 500 Cb -0.06 0.35 0.11 0.00 -1.09 0.00 0.00 33.01 32.32 2rok s GLN 500 CO 0.00 -0.34 1.09 0.95 -1.32 0.00 0.00 175.29 175.67 2rok s THR 501 N -3.93 2.76 0.27 3.63 -4.23 -1.26 -0.54 115.64 112.33 2rok s THR 501 Ca 0.13 0.25 -0.03 0.00 -1.18 0.00 0.00 61.69 60.86 2rok s THR 501 Cb 0.04 -2.80 0.27 0.00 1.34 0.00 0.00 72.50 71.35 2rok s THR 501 CO -0.04 -0.32 1.92 0.22 -0.54 0.00 0.00 174.62 175.85 2rok h TYR 502 N -1.43 1.17 -0.30 3.99 5.03 -1.69 -0.71 116.97 123.03 2rok h TYR 502 Ca -0.49 0.03 -0.06 0.00 2.58 0.00 0.00 58.73 60.79 2rok h TYR 502 Cb 1.28 -0.39 -0.02 0.00 1.55 0.00 0.00 36.73 39.15 2rok h TYR 502 CO 0.43 0.67 -0.07 0.00 -1.32 0.00 0.00 178.16 177.87 2rok h ALA 503 N 1.44 1.32 -0.24 1.82 0.00 -1.89 -1.55 119.26 120.16 2rok h ALA 503 Ca 0.38 -0.24 -0.18 0.00 0.00 0.00 0.00 54.91 54.87 2rok h ALA 503 Cb 0.02 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.68 2rok h ALA 503 CO -0.12 0.46 -0.57 0.93 0.00 0.00 0.00 179.25 179.95 2rok h GLU 504 N 0.46 0.81 -0.61 0.00 5.08 -1.85 -3.31 114.58 115.16 2rok h GLU 504 Ca 0.09 -0.55 -0.00 0.00 -1.00 0.00 0.00 59.36 57.90 2rok h GLU 504 Cb 0.42 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.71 2rok h GLU 504 CO 0.02 1.18 0.36 -0.92 -1.00 0.00 0.00 179.01 178.65 2rok h TYR 505 N 0.57 0.80 -1.08 4.33 3.20 -0.74 -3.12 116.97 120.92 2rok h TYR 505 Ca -0.00 0.00 0.31 0.00 3.14 0.00 0.00 58.73 62.18 2rok h TYR 505 Cb 1.18 -0.26 -0.12 0.00 1.54 0.00 0.00 36.73 39.07 2rok h TYR 505 CO 0.08 0.54 0.66 0.28 -1.64 0.00 0.00 178.16 178.08 2rok h VAL 506 N 0.84 0.39 0.00 1.81 2.07 -1.38 0.63 116.25 120.60 2rok h VAL 506 Ca 0.22 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.62 2rok h VAL 506 Cb -0.03 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 29.75 2rok h VAL 506 CO -0.04 0.06 0.00 0.61 0.02 0.00 0.00 177.57 178.22 2rok n GLY 507 N -1.40 -0.91 0.00 2.17 0.00 -1.18 -2.69 105.19 101.17 2rok n GLY 507 Ca 0.30 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.27 2rok n GLY 507 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2rok n LYS 508 N -1.45 0.85 0.18 1.61 4.01 0.17 -4.88 118.16 118.65 2rok n LYS 508 Ca 0.04 -0.85 0.05 0.00 -0.51 0.00 0.00 58.31 57.04 2rok n LYS 508 Cb 0.15 -0.88 0.49 0.00 -0.51 0.00 0.00 35.03 34.28 2rok n LYS 508 CO 0.00 0.00 0.00 -0.22 -1.11 0.00 0.00 177.40 176.07 2rok h LYS 509 N 0.00 0.12 -7.25 1.97 3.64 -1.22 -3.44 116.57 110.39 2rok h LYS 509 Ca 0.00 -0.02 -0.51 0.00 -1.27 0.00 0.00 60.65 58.85 2rok h LYS 509 Cb 0.38 -0.02 0.12 0.00 -0.41 0.00 0.00 32.23 32.30 2rok h LYS 509 CO 0.00 0.21 0.35 1.14 -2.27 0.00 0.00 179.45 178.88 2rok s GLN 510 N -4.85 2.48 0.14 1.90 0.00 -1.26 -5.09 119.66 112.98 2rok s GLN 510 Ca -0.05 1.31 -0.00 0.00 -0.00 0.00 0.00 55.36 56.62 2rok s GLN 510 Cb 0.16 -1.92 -0.04 0.00 0.00 0.00 0.00 33.01 31.21 2rok s GLN 510 CO 0.70 -1.49 0.03 0.15 0.00 0.00 0.00 175.29 174.69 2rok s LYS 511 N -4.47 0.97 -0.02 9.60 1.02 -1.26 -5.09 119.74 120.49 2rok s LYS 511 Ca 0.65 -1.46 0.10 0.00 0.02 0.00 0.00 55.97 55.27 2rok s LYS 511 Cb -0.19 0.07 0.17 0.00 -0.52 0.00 0.00 37.83 37.36 2rok s LYS 511 CO 0.49 -0.21 1.08 0.41 -0.92 0.00 0.00 175.35 176.19 2rok n GLY 512 N -0.13 1.34 0.26 -3.33 0.00 -1.26 -4.83 105.19 97.23 2rok n GLY 512 Ca -0.06 -0.43 0.04 0.00 0.00 0.00 0.00 46.02 45.57 2rok n GLY 512 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2rok n LYS 513 N -0.07 0.72 -3.73 1.61 5.02 -1.26 -5.05 118.16 115.40 2rok n LYS 513 Ca 0.04 -1.63 -0.12 0.00 -2.02 0.00 0.00 58.31 54.58 2rok n LYS 513 Cb 0.82 -0.94 -0.13 0.00 -0.02 0.00 0.00 35.03 34.76 2rok n LYS 513 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 2rok s GLN 514 N -1.23 0.21 0.54 1.97 2.00 -1.26 -5.17 119.66 116.72 2rok s GLN 514 Ca 0.13 0.52 -0.20 0.00 -2.00 0.00 0.00 55.36 53.82 2rok s GLN 514 Cb 0.11 -0.11 -0.06 0.00 0.80 0.00 0.00 33.01 33.75 2rok s GLN 514 CO 0.01 -0.16 1.12 0.14 -0.50 0.00 0.00 175.29 175.91 2rok s VAL 515 N 1.22 3.20 -0.91 1.34 -7.23 -1.26 -4.97 120.40 111.78 2rok s VAL 515 Ca -0.09 0.75 0.26 0.00 -1.81 0.00 0.00 61.98 61.09 2rok s VAL 515 Cb -0.10 -3.30 0.24 0.00 0.56 0.00 0.00 36.38 33.78 2rok s VAL 515 CO -0.08 -0.16 1.83 0.29 -0.31 0.00 0.00 175.10 176.67 2rok n LYS 516 N -1.27 0.07 -0.68 4.82 5.02 -1.26 -4.91 118.16 119.95 2rok n LYS 516 Ca 0.11 0.10 -0.31 0.00 -2.02 0.00 0.00 58.31 56.19 2rok n LYS 516 Cb 0.51 -1.59 0.17 0.00 -0.02 0.00 0.00 35.03 34.11 2rok n LYS 516 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2rok s SER 517 N -3.41 2.72 0.11 4.39 0.01 -1.26 -5.08 113.70 111.17 2rok s SER 517 Ca 0.12 2.13 -0.26 0.00 1.31 0.00 0.00 55.95 59.25 2rok s SER 517 Cb 0.16 -2.54 0.08 0.00 0.21 0.00 0.00 66.02 63.93 2rok s SER 517 CO 0.51 -3.22 1.08 -0.83 0.41 0.00 0.00 173.24 171.19 2rok s GLY 518 N -2.66 -0.19 0.00 3.44 0.00 -1.26 -5.06 107.32 101.59 2rok s GLY 518 Ca 0.67 0.16 0.31 0.00 0.00 0.00 0.00 44.72 45.86 2rok s GLY 518 CO 0.59 0.89 2.18 -1.55 0.00 0.00 0.00 173.10 175.21 2rok n PRO 519 N -0.55 0.92 0.11 2.90 -0.04 -1.26 -4.21 135.00 132.86 2rok n PRO 519 Ca -0.05 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.50 2rok n PRO 519 Cb 0.61 -1.50 0.45 0.00 -0.04 0.00 0.00 33.50 33.02 2rok n PRO 519 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2rok n SER 520 N -1.04 0.47 -3.93 3.54 3.41 -1.26 -4.79 113.62 110.02 2rok n SER 520 Ca 0.22 0.66 -0.09 0.00 -0.26 0.00 0.00 58.87 59.40 2rok n SER 520 Cb 0.12 -0.74 -0.06 0.00 -0.26 0.00 0.00 64.21 63.27 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 -3.87 -0.07 0.00 4.04 1.04 -1.26 -5.33 113.70 108.25 2rok s SER 521 Ca 0.02 -0.82 0.00 0.00 0.48 0.00 0.00 55.95 55.62 2rok s SER 521 Cb 0.07 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.71 2rok s SER 521 CO 0.26 -1.01 0.00 0.61 0.98 0.00 0.00 173.24 174.08