#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 0.00 -3.91 1.61 2.88 -1.26 -5.16 113.62 107.77 2rok n SER 424 Ca 0.00 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.45 2rok n SER 424 Cb 0.00 0.01 -0.05 0.00 -0.75 0.00 0.00 64.21 63.41 2rok n SER 424 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2rok s SER 425 N -1.67 -0.11 0.00 -3.46 1.04 -1.26 -5.10 113.70 103.15 2rok s SER 425 Ca 0.00 -0.78 0.00 0.00 0.48 0.00 0.00 55.95 55.65 2rok s SER 425 Cb 0.00 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.67 2rok s SER 425 CO 0.00 -1.07 0.45 0.61 0.98 0.00 0.00 173.24 174.22 2rok n GLY 426 N -0.33 0.42 3.37 7.32 0.00 -1.26 -5.16 105.19 109.55 2rok n GLY 426 Ca -0.05 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.82 2rok n GLY 426 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2rok s SER 427 N -0.27 -0.40 0.47 1.61 0.15 -1.26 -5.04 113.70 108.96 2rok s SER 427 Ca 0.00 0.27 0.27 0.00 0.70 0.00 0.00 55.95 57.18 2rok s SER 427 Cb 0.00 0.44 1.02 0.00 -1.71 0.00 0.00 66.02 65.77 2rok s SER 427 CO 0.00 -0.61 1.86 0.77 1.20 0.00 0.00 173.24 176.46 2rok h SER 428 N 3.17 0.00 0.00 5.45 4.64 -2.01 -3.48 113.55 121.32 2rok h SER 428 Ca -0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 2rok h SER 428 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 2rok h SER 428 CO 0.41 0.15 0.00 0.61 -0.87 0.00 0.00 176.83 177.13 2rok n GLY 429 N 0.17 0.60 0.00 -0.77 0.00 -1.26 -4.50 105.19 99.43 2rok n GLY 429 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2rok n GLY 429 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2rok n GLY 430 N -1.94 -0.36 0.27 -0.02 0.00 -1.26 -4.24 105.19 97.64 2rok n GLY 430 Ca 0.00 -1.49 0.14 0.00 0.00 0.00 0.00 46.02 44.67 2rok n GLY 430 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2rok h PRO 431 N 2.64 0.00 0.00 1.61 0.13 -1.89 -3.46 132.00 131.04 2rok h PRO 431 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2rok h PRO 431 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2rok h PRO 431 CO 0.00 0.10 0.00 -0.40 -0.23 0.00 0.00 178.00 177.47 2rok n ASP 432 N -3.56 0.00 0.00 1.44 5.68 -1.26 -4.91 116.55 113.94 2rok n ASP 432 Ca -0.02 -0.97 0.00 0.00 -0.50 0.00 0.00 54.79 53.30 2rok n ASP 432 Cb 0.23 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.21 2rok n ASP 432 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2rok n LEU 433 N 0.00 0.00 -3.84 -2.12 -0.00 -1.26 -4.39 117.00 105.38 2rok n LEU 433 Ca 0.00 0.19 -0.26 0.00 -0.00 0.00 0.00 56.01 55.93 2rok n LEU 433 Cb 0.00 -0.19 -0.17 0.00 -0.00 0.00 0.00 43.42 43.06 2rok n LEU 433 CO 0.00 -0.19 -0.41 -1.58 -0.00 0.00 0.00 177.39 175.21 2rok s GLN 434 N -2.34 1.13 0.00 1.47 2.00 -1.26 -4.99 119.66 115.67 2rok s GLN 434 Ca 0.00 -0.24 0.00 0.00 -2.00 0.00 0.00 55.36 53.12 2rok s GLN 434 Cb 0.00 -1.59 0.00 0.00 0.80 0.00 0.00 33.01 32.22 2rok s GLN 434 CO 0.00 -0.37 0.61 -0.35 -0.50 0.00 0.00 175.29 174.68 2rok n PRO 435 N 5.00 0.68 0.00 1.67 -0.04 -1.26 -4.45 135.00 136.60 2rok n PRO 435 Ca -0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.36 2rok n PRO 435 Cb 0.49 -1.08 0.00 0.00 -0.04 0.00 0.00 33.50 32.87 2rok n PRO 435 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2rok n LYS 436 N -0.35 0.00 -0.13 0.54 5.02 -1.26 -1.09 118.16 120.89 2rok n LYS 436 Ca 0.00 0.27 0.02 0.00 -2.02 0.00 0.00 58.31 56.58 2rok n LYS 436 Cb 0.04 -1.53 0.03 0.00 -0.02 0.00 0.00 35.03 33.55 2rok n LYS 436 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2rok n ARG 437 N -1.25 1.06 0.16 1.97 1.74 -1.26 -4.84 116.66 114.23 2rok n ARG 437 Ca 0.00 -1.33 0.13 0.00 -0.77 0.00 0.00 57.85 55.88 2rok n ARG 437 Cb 0.03 -0.85 0.56 0.00 -1.02 0.00 0.00 32.46 31.18 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 -0.25 0.55 3.58 -1.44 -2.30 116.42 116.56 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 0.97 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.02 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 -2.36 0.33 -4.24 0.28 1.44 -1.26 -4.57 115.22 104.83 2rok n HIS 439 Ca 0.01 -0.16 -0.30 0.00 -2.01 0.00 0.00 57.72 55.25 2rok n HIS 439 Cb 0.19 0.00 -0.09 0.00 0.12 0.00 0.00 29.99 30.21 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 -1.67 3.68 0.31 0.61 1.01 -0.87 -2.09 120.40 121.38 2rok s VAL 440 Ca 0.24 -1.04 0.08 0.00 0.00 0.00 0.00 61.98 61.26 2rok s VAL 440 Cb 0.13 -2.71 -0.06 0.00 0.00 0.00 0.00 36.38 33.74 2rok s VAL 440 CO 0.18 0.18 -0.09 -0.76 0.00 0.00 0.00 175.10 174.61 2rok s LEU 441 N -2.06 2.61 -0.02 3.92 1.43 0.51 -1.33 118.68 123.74 2rok s LEU 441 Ca 0.22 -1.17 0.05 0.00 -1.03 0.00 0.00 54.13 52.20 2rok s LEU 441 Cb -0.11 -0.84 -0.01 0.00 0.03 0.00 0.00 46.19 45.25 2rok s LEU 441 CO 0.14 -0.24 -0.17 -2.28 0.23 0.00 0.00 176.35 174.03 2rok s HIS 442 N -2.79 1.56 0.01 0.29 5.65 0.11 -1.45 115.29 118.67 2rok s HIS 442 Ca 0.31 -0.32 0.03 0.00 0.25 0.00 0.00 55.06 55.32 2rok s HIS 442 Cb 0.02 -1.01 -0.01 0.00 -1.18 0.00 0.00 32.58 30.40 2rok s HIS 442 CO 0.14 -0.05 -0.10 0.08 -0.65 0.00 0.00 174.74 174.16 2rok s VAL 443 N -0.32 0.76 -0.03 0.89 1.01 -0.08 -1.09 120.40 121.54 2rok s VAL 443 Ca 0.05 -0.55 0.02 0.00 0.00 0.00 0.00 61.98 61.50 2rok s VAL 443 Cb -0.07 -0.66 0.01 0.00 0.00 0.00 0.00 36.38 35.65 2rok s VAL 443 CO -0.00 0.12 -0.08 -0.89 0.00 0.00 0.00 175.10 174.24 2rok s THR 444 N -0.42 0.71 0.19 3.92 2.01 -0.47 -2.21 115.64 119.38 2rok s THR 444 Ca 0.02 -0.31 -0.22 0.00 0.31 0.00 0.00 61.69 61.49 2rok s THR 444 Cb -0.05 -0.65 0.06 0.00 0.01 0.00 0.00 72.50 71.87 2rok s THR 444 CO -0.00 0.23 0.63 0.72 -0.69 0.00 0.00 174.62 175.51 2rok s PHE 445 N 0.28 -0.44 0.58 4.92 -0.12 -0.85 -1.22 117.98 121.13 2rok s PHE 445 Ca -0.04 0.17 -0.20 0.00 -0.05 0.00 0.00 56.93 56.81 2rok s PHE 445 Cb -0.09 0.59 -0.04 0.00 -0.63 0.00 0.00 43.02 42.85 2rok s PHE 445 CO 0.00 -0.95 1.24 -1.25 -0.05 0.00 0.00 175.22 174.21 2rok s PRO 446 N -3.79 3.02 0.57 1.99 0.04 -1.26 -4.61 135.00 130.96 2rok s PRO 446 Ca 0.04 1.91 0.33 0.00 0.04 0.00 0.00 61.00 63.31 2rok s PRO 446 Cb -0.02 -2.01 1.77 0.00 0.04 0.00 0.00 34.50 34.28 2rok s PRO 446 CO -0.08 -1.19 1.99 1.57 0.04 0.00 0.00 177.00 179.33 2rok h LYS 447 N 1.04 0.00 -0.17 4.56 2.10 -1.92 -2.01 116.57 120.18 2rok h LYS 447 Ca -0.50 0.00 0.05 0.00 -2.00 0.00 0.00 60.65 58.19 2rok h LYS 447 Cb 1.30 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.62 2rok h LYS 447 CO 0.56 0.00 0.17 1.49 -2.00 0.00 0.00 179.45 179.67 2rok h GLU 448 N 0.00 0.00 -7.18 0.07 4.81 -1.91 -3.44 114.58 106.93 2rok h GLU 448 Ca 0.00 0.00 -0.53 0.00 -0.13 0.00 0.00 59.36 58.70 2rok h GLU 448 Cb 0.29 0.00 0.14 0.00 0.63 0.00 0.00 28.75 29.81 2rok h GLU 448 CO 0.00 0.00 0.38 -1.58 -0.73 0.00 0.00 179.01 177.08 2rok s TRP 449 N -4.70 2.22 0.21 0.92 0.52 -0.76 -5.08 118.94 112.27 2rok s TRP 449 Ca -0.05 1.59 0.03 0.00 0.02 0.00 0.00 56.10 57.69 2rok s TRP 449 Cb 0.16 -3.38 -0.05 0.00 -1.15 0.00 0.00 33.47 29.05 2rok s TRP 449 CO 0.57 -2.33 -0.01 0.15 0.02 0.00 0.00 176.95 175.36 2rok s LYS 450 N -3.96 1.26 0.42 4.98 1.02 -1.26 -5.04 119.74 117.16 2rok s LYS 450 Ca 0.72 -1.63 0.16 0.00 0.02 0.00 0.00 55.97 55.24 2rok s LYS 450 Cb -0.26 -0.52 1.05 0.00 -0.52 0.00 0.00 37.83 37.57 2rok s LYS 450 CO 0.44 -0.10 1.89 1.15 -0.92 0.00 0.00 175.35 177.81 2rok h THR 451 N 2.55 0.75 -0.45 2.17 2.02 -1.99 -1.67 112.91 116.29 2rok h THR 451 Ca -0.38 -0.15 -0.06 0.00 0.77 0.00 0.00 66.41 66.60 2rok h THR 451 Cb 1.22 0.28 -0.02 0.00 -1.74 0.00 0.00 68.15 67.89 2rok h THR 451 CO 0.64 0.08 0.06 0.28 0.37 0.00 0.00 175.52 176.95 2rok h SER 452 N 0.43 0.72 0.09 4.18 0.02 -1.99 -0.18 113.55 116.82 2rok h SER 452 Ca 0.42 -0.27 -0.05 0.00 -0.84 0.00 0.00 61.79 61.05 2rok h SER 452 Cb 0.98 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.32 2rok h SER 452 CO -0.15 0.81 -0.18 0.44 -1.14 0.00 0.00 176.83 176.61 2rok h ASP 453 N 0.60 0.18 -0.15 3.07 3.32 -1.74 -1.38 116.42 120.32 2rok h ASP 453 Ca 0.13 -0.04 -0.09 0.00 0.02 0.00 0.00 57.03 57.05 2rok h ASP 453 Cb 0.40 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 39.90 2rok h ASP 453 CO 0.01 0.37 -0.26 -0.07 -1.72 0.00 0.00 179.24 177.57 2rok h LEU 454 N 0.18 0.50 -0.79 1.55 3.38 -1.10 -0.82 115.31 118.20 2rok h LEU 454 Ca 0.03 -0.54 0.06 0.00 0.09 0.00 0.00 57.88 57.52 2rok h LEU 454 Cb 0.42 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 40.97 2rok h LEU 454 CO 0.03 0.94 0.48 1.88 0.09 0.00 0.00 178.44 181.85 2rok h TYR 455 N 0.07 0.88 0.00 1.13 0.05 -0.87 -2.39 116.97 115.85 2rok h TYR 455 Ca 0.01 0.03 -0.08 0.00 0.05 0.00 0.00 58.73 58.74 2rok h TYR 455 Cb 0.84 -0.28 -0.01 0.00 1.01 0.00 0.00 36.73 38.29 2rok h TYR 455 CO 0.10 0.45 -0.37 1.96 -1.05 0.00 0.00 178.16 179.24 2rok h GLN 456 N 0.88 0.00 -0.26 4.88 4.20 -1.17 -0.28 115.11 123.35 2rok h GLN 456 Ca 0.34 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.92 2rok h GLN 456 Cb 0.16 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 2rok h GLN 456 CO -0.17 0.37 -0.40 1.25 -0.67 0.00 0.00 178.83 179.22 2rok h LEU 457 N 0.00 0.66 -1.05 1.46 5.85 -0.71 -3.37 115.31 118.15 2rok h LEU 457 Ca -0.00 -0.29 0.00 0.00 0.84 0.00 0.00 57.88 58.42 2rok h LEU 457 Cb 0.70 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.55 2rok h LEU 457 CO 0.05 0.98 -0.12 0.49 -0.34 0.00 0.00 178.44 179.50 2rok n PHE 458 N -4.03 0.00 0.33 1.25 3.72 -0.94 -4.59 117.46 113.19 2rok n PHE 458 Ca -0.02 0.00 0.20 0.00 -0.05 0.00 0.00 57.45 57.58 2rok n PHE 458 Cb 0.52 0.00 1.07 0.00 -0.94 0.00 0.00 39.48 40.13 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 1.57 0.00 0.00 4.37 4.64 -1.21 -1.81 113.55 121.11 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 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 2rok h SER 459 CO 0.00 0.00 0.12 0.00 -0.87 0.00 0.00 176.83 176.08 2rok h ALA 460 N 1.81 1.12 -0.22 5.18 0.00 -1.86 -1.77 119.26 123.51 2rok h ALA 460 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2rok h ALA 460 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2rok h ALA 460 CO 0.00 -0.12 0.00 1.19 0.00 0.00 0.00 179.25 180.32 2rok n PHE 461 N -2.84 0.27 -0.75 0.00 3.72 -0.68 -5.10 117.46 112.09 2rok n PHE 461 Ca -0.02 -0.14 0.00 0.00 -0.05 0.00 0.00 57.45 57.24 2rok n PHE 461 Cb 0.18 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.72 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 1.43 -1.78 3.75 1.37 0.00 -0.67 -4.79 105.19 104.50 2rok n GLY 462 Ca 0.17 -1.87 -0.36 0.00 0.00 0.00 0.00 46.02 43.96 2rok n GLY 462 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2rok s ASN 463 N -4.00 5.02 0.35 1.61 2.20 -1.26 -4.37 114.94 114.48 2rok s ASN 463 Ca 0.00 2.42 0.04 0.00 -0.94 0.00 0.00 52.86 54.38 2rok s ASN 463 Cb 0.00 -2.60 -0.01 0.00 -2.00 0.00 0.00 41.25 36.63 2rok s ASN 463 CO 0.00 -1.71 0.38 0.27 -2.94 0.00 0.00 177.10 173.09 2rok s ILE 464 N -1.59 0.00 0.10 0.54 -4.36 -1.26 -4.70 121.20 109.93 2rok s ILE 464 Ca 0.78 -1.82 0.07 0.00 -0.26 0.00 0.00 60.65 59.41 2rok s ILE 464 Cb -0.31 -2.58 -0.03 0.00 1.25 0.00 0.00 42.46 40.78 2rok s ILE 464 CO 0.35 0.00 -0.16 -1.10 0.24 0.00 0.00 174.94 174.27 2rok s GLN 465 N -3.18 1.01 -0.01 0.37 -0.21 -0.93 -5.01 119.66 111.69 2rok s GLN 465 Ca 0.37 -1.14 0.00 0.00 0.02 0.00 0.00 55.36 54.60 2rok s GLN 465 Cb 0.01 -1.06 0.02 0.00 1.00 0.00 0.00 33.01 32.98 2rok s GLN 465 CO 0.26 0.23 0.01 0.42 -2.12 0.00 0.00 175.29 174.08 2rok s ILE 466 N -1.58 0.03 -0.27 1.08 1.01 -1.26 -0.84 121.20 119.38 2rok s ILE 466 Ca 0.05 0.09 -0.04 0.00 0.00 0.00 0.00 60.65 60.75 2rok s ILE 466 Cb -0.08 -0.10 0.09 0.00 0.01 0.00 0.00 42.46 42.38 2rok s ILE 466 CO 0.03 0.07 0.12 -0.44 0.00 0.00 0.00 174.94 174.72 2rok s SER 467 N 0.59 3.32 0.73 3.58 0.01 -0.54 -5.01 113.70 116.38 2rok s SER 467 Ca -0.05 -1.17 -0.16 0.00 1.31 0.00 0.00 55.95 55.89 2rok s SER 467 Cb -0.08 -0.37 0.03 0.00 0.21 0.00 0.00 66.02 65.82 2rok s SER 467 CO -0.02 -0.42 1.20 0.79 0.41 0.00 0.00 173.24 175.20 2rok n TRP 468 N 5.23 1.42 0.00 2.43 7.02 -1.26 -0.64 117.44 131.63 2rok n TRP 468 Ca -0.06 0.41 0.00 0.00 -1.02 0.00 0.00 57.50 56.83 2rok n TRP 468 Cb 0.43 -2.16 0.00 0.00 -2.42 0.00 0.00 31.31 27.16 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 -2.63 0.00 -3.96 -0.99 -5.35 -0.91 -4.83 119.36 100.69 2rok n ILE 469 Ca 0.14 0.00 -0.10 0.00 -0.27 0.00 0.00 62.75 62.52 2rok n ILE 469 Cb 0.49 -0.02 -0.03 0.00 -1.74 0.00 0.00 39.64 38.34 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 -0.90 0.19 0.34 7.28 2.15 -0.62 -4.98 116.67 120.12 2rok s ASP 470 Ca 0.00 -1.09 0.23 0.00 0.43 0.00 0.00 52.55 52.12 2rok s ASP 470 Cb 0.00 0.69 1.23 0.00 -0.30 0.00 0.00 42.92 44.53 2rok s ASP 470 CO 0.00 -1.34 1.71 -0.78 -0.17 0.00 0.00 175.17 174.59 2rok h ASP 471 N 2.12 0.00 0.00 -0.34 3.58 -2.00 -2.99 116.42 116.79 2rok h ASP 471 Ca -0.27 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.18 2rok h ASP 471 Cb 1.25 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.30 2rok h ASP 471 CO 0.36 0.00 0.00 0.35 -2.88 0.00 0.00 179.24 177.07 2rok n THR 472 N -2.30 0.13 -3.78 2.25 -2.24 -1.26 -4.30 114.28 102.77 2rok n THR 472 Ca -0.01 -0.17 -0.13 0.00 -2.27 0.00 0.00 64.05 61.47 2rok n THR 472 Cb 0.05 1.24 -0.11 0.00 -2.10 0.00 0.00 70.33 69.41 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 -0.13 -0.27 0.10 3.42 0.01 -1.13 -2.01 113.70 113.70 2rok s SER 473 Ca 0.00 0.52 -0.15 0.00 1.31 0.00 0.00 55.95 57.62 2rok s SER 473 Cb 0.00 0.53 0.03 0.00 0.21 0.00 0.00 66.02 66.79 2rok s SER 473 CO 0.00 -0.10 0.37 0.00 0.41 0.00 0.00 173.24 173.92 2rok s ALA 474 N 0.10 -0.84 0.32 1.44 0.00 -0.94 -1.58 121.76 120.27 2rok s ALA 474 Ca -0.00 -0.05 -0.09 0.00 0.00 0.00 0.00 51.96 51.81 2rok s ALA 474 Cb -0.02 0.58 -0.06 0.00 0.00 0.00 0.00 23.12 23.61 2rok s ALA 474 CO 0.00 -0.58 0.65 -0.06 0.00 0.00 0.00 175.76 175.78 2rok s PHE 475 N -3.49 3.45 -0.00 0.00 0.08 0.19 -0.90 117.98 117.31 2rok s PHE 475 Ca 0.01 0.90 0.02 0.00 0.12 0.00 0.00 56.93 57.97 2rok s PHE 475 Cb 0.02 -2.31 -0.00 0.00 -0.57 0.00 0.00 43.02 40.16 2rok s PHE 475 CO -0.10 0.08 -0.05 0.08 -0.10 0.00 0.00 175.22 175.13 2rok s VAL 476 N -2.13 0.39 -0.18 -0.44 1.01 -0.53 -1.46 120.40 117.06 2rok s VAL 476 Ca 0.48 -0.25 0.01 0.00 0.00 0.00 0.00 61.98 62.22 2rok s VAL 476 Cb -0.11 -0.34 0.04 0.00 0.00 0.00 0.00 36.38 35.98 2rok s VAL 476 CO 0.27 0.08 -0.11 -0.44 0.00 0.00 0.00 175.10 174.91 2rok s SER 477 N -0.19 3.14 0.35 3.32 0.01 -0.02 -0.37 113.70 119.95 2rok s SER 477 Ca 0.01 -0.76 0.07 0.00 1.31 0.00 0.00 55.95 56.59 2rok s SER 477 Cb -0.02 -1.18 -0.01 0.00 0.21 0.00 0.00 66.02 65.02 2rok s SER 477 CO -0.00 -0.13 0.41 -0.76 0.41 0.00 0.00 173.24 173.17 2rok s LEU 478 N 1.45 3.74 0.40 2.44 1.43 -0.89 -2.20 118.68 125.05 2rok s LEU 478 Ca 0.01 -0.39 0.19 0.00 -1.03 0.00 0.00 54.13 52.91 2rok s LEU 478 Cb -0.15 -2.47 0.83 0.00 0.03 0.00 0.00 46.19 44.42 2rok s LEU 478 CO -0.09 -0.47 1.81 0.28 0.23 0.00 0.00 176.35 178.11 2rok h SER 479 N 1.00 0.00 -4.86 2.29 0.02 -1.85 -3.46 113.55 106.69 2rok h SER 479 Ca -0.44 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.38 2rok h SER 479 Cb 1.26 0.00 -0.21 0.00 0.14 0.00 0.00 62.40 63.59 2rok h SER 479 CO 0.54 0.33 -0.34 -1.10 -1.14 0.00 0.00 176.83 175.13 2rok s GLN 480 N -3.84 0.59 0.58 3.45 -0.21 -1.26 -5.04 119.66 113.93 2rok s GLN 480 Ca -0.01 -0.18 0.28 0.00 0.02 0.00 0.00 55.36 55.47 2rok s GLN 480 Cb 0.12 0.26 1.64 0.00 1.00 0.00 0.00 33.01 36.03 2rok s GLN 480 CO 0.68 -0.15 2.11 -1.35 -2.12 0.00 0.00 175.29 174.46 2rok h PRO 481 N 4.17 0.00 -0.33 2.91 0.11 -1.88 -1.39 132.00 135.59 2rok h PRO 481 Ca -0.29 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.81 2rok h PRO 481 Cb 1.18 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 2rok h PRO 481 CO 0.39 0.00 0.16 0.93 -0.21 0.00 0.00 178.00 179.28 2rok h GLU 482 N 0.00 0.46 0.02 1.05 5.08 -1.96 -1.66 114.58 117.56 2rok h GLU 482 Ca 0.08 -0.04 -0.22 0.00 -1.00 0.00 0.00 59.36 58.18 2rok h GLU 482 Cb 0.44 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 2rok h GLU 482 CO -0.00 0.36 -0.95 1.96 -1.00 0.00 0.00 179.01 179.38 2rok h GLN 483 N 0.46 0.30 -0.59 2.33 4.20 -1.67 -3.07 115.11 117.06 2rok h GLN 483 Ca 0.12 -0.34 0.04 0.00 0.06 0.00 0.00 58.65 58.53 2rok h GLN 483 Cb 0.05 0.10 -0.05 0.00 0.30 0.00 0.00 27.48 27.88 2rok h GLN 483 CO -0.02 1.05 0.33 0.28 -0.67 0.00 0.00 178.83 179.81 2rok h VAL 484 N 0.16 1.00 -0.91 -0.54 2.07 -1.30 -0.86 116.25 115.86 2rok h VAL 484 Ca -0.07 -0.22 0.03 0.00 0.82 0.00 0.00 66.70 67.26 2rok h VAL 484 Cb 1.59 0.30 -0.05 0.00 -1.52 0.00 0.00 31.29 31.61 2rok h VAL 484 CO 0.15 0.12 0.59 -0.61 0.02 0.00 0.00 177.57 177.84 2rok h GLN 485 N 0.64 1.13 -0.24 1.57 4.15 -1.31 -1.00 115.11 120.05 2rok h GLN 485 Ca 0.26 -0.07 -0.05 0.00 0.77 0.00 0.00 58.65 59.56 2rok h GLN 485 Cb 0.11 -0.25 -0.01 0.00 0.21 0.00 0.00 27.48 27.54 2rok h GLN 485 CO -0.15 0.75 -0.03 0.82 -1.93 0.00 0.00 178.83 178.29 2rok h ILE 486 N 1.16 1.27 -0.38 2.39 2.04 -1.38 -2.14 117.51 120.47 2rok h ILE 486 Ca 0.36 -0.99 -0.02 0.00 1.00 0.00 0.00 64.86 65.20 2rok h ILE 486 Cb -0.03 1.43 -0.02 0.00 -0.74 0.00 0.00 36.82 37.46 2rok h ILE 486 CO -0.11 0.31 0.13 0.00 0.00 0.00 0.00 178.15 178.48 2rok h ALA 487 N 0.78 1.52 -0.40 1.87 0.00 -0.82 -0.51 119.26 121.71 2rok h ALA 487 Ca 0.07 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 2rok h ALA 487 Cb 0.47 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2rok h ALA 487 CO 0.02 0.36 0.03 0.28 0.00 0.00 0.00 179.25 179.94 2rok h VAL 488 N 0.54 1.25 -0.48 0.00 2.07 -1.16 -2.57 116.25 115.90 2rok h VAL 488 Ca 0.13 -0.94 0.00 0.00 0.82 0.00 0.00 66.70 66.71 2rok h VAL 488 Cb 0.14 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 2rok h VAL 488 CO -0.01 0.32 0.30 -1.13 0.02 0.00 0.00 177.57 177.07 2rok h ASN 489 N 0.52 0.57 0.73 0.57 -1.24 -0.65 -3.10 115.58 112.98 2rok h ASN 489 Ca 0.12 -0.04 -0.09 0.00 0.71 0.00 0.00 56.30 57.00 2rok h ASN 489 Cb 0.42 -0.14 -0.01 0.00 0.73 0.00 0.00 38.32 39.32 2rok h ASN 489 CO 0.01 0.44 -0.43 0.71 -1.29 0.00 0.00 177.43 176.87 2rok h THR 490 N 0.65 1.05 0.00 -3.57 1.35 -1.14 -3.17 112.91 108.08 2rok h THR 490 Ca 0.18 -1.63 0.00 0.00 -0.55 0.00 0.00 66.41 64.41 2rok h THR 490 Cb -0.04 1.95 0.00 0.00 -1.73 0.00 0.00 68.15 68.33 2rok h THR 490 CO -0.04 0.42 0.00 0.77 -0.25 0.00 0.00 175.52 176.43 2rok h SER 491 N 0.00 0.00 0.09 5.36 4.64 -1.37 -2.53 113.55 119.74 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 0.91 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.00 2rok h SER 491 CO 0.06 0.00 0.00 0.11 -0.87 0.00 0.00 176.83 176.13 2rok h LYS 492 N 0.00 0.00 -0.01 4.77 1.57 -1.68 -3.11 116.57 118.12 2rok h LYS 492 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2rok h LYS 492 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.46 2rok h LYS 492 CO 0.00 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 179.54 2rok n TYR 493 N -2.83 0.01 -1.89 -1.35 4.01 -0.95 -5.04 117.16 109.11 2rok n TYR 493 Ca -0.02 -0.07 -0.34 0.00 -0.16 0.00 0.00 57.90 57.31 2rok n TYR 493 Cb 0.08 -0.01 0.04 0.00 -0.31 0.00 0.00 39.34 39.14 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 -0.22 2.50 0.00 -0.72 0.00 -1.18 -5.00 121.76 117.14 2rok s ALA 494 Ca 0.01 0.73 0.00 0.00 0.00 0.00 0.00 51.96 52.71 2rok s ALA 494 Cb 0.01 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.76 2rok s ALA 494 CO 0.01 -1.19 0.10 0.39 0.00 0.00 0.00 175.76 175.07 2rok n GLU 495 N -2.02 1.13 0.00 0.00 1.02 -1.26 -4.84 120.64 114.67 2rok n GLU 495 Ca 0.12 -0.10 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 2rok n GLU 495 Cb 0.51 -0.45 0.00 0.00 -0.02 0.00 0.00 31.44 31.48 2rok n GLU 495 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2rok n SER 496 N -0.19 0.28 -3.69 1.62 7.64 -1.26 -5.10 113.62 112.91 2rok n SER 496 Ca 0.00 -1.10 -0.07 0.00 1.01 0.00 0.00 58.87 58.71 2rok n SER 496 Cb 0.08 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.27 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 -0.10 -0.13 0.06 1.43 1.13 -1.26 -4.38 117.35 114.09 2rok s TYR 497 Ca 0.00 -0.34 -0.10 0.00 -1.41 0.00 0.00 57.07 55.21 2rok s TYR 497 Cb 0.00 0.72 0.01 0.00 -1.10 0.00 0.00 41.96 41.59 2rok s TYR 497 CO 0.00 -1.23 0.23 0.50 -2.51 0.00 0.00 175.55 172.53 2rok s ARG 498 N -3.56 0.79 0.03 -3.49 6.06 -0.36 -4.77 118.95 113.66 2rok s ARG 498 Ca 0.12 -0.72 0.03 0.00 -2.50 0.00 0.00 55.73 52.66 2rok s ARG 498 Cb -0.05 0.33 -0.02 0.00 0.06 0.00 0.00 34.95 35.27 2rok s ARG 498 CO 0.07 -0.25 -0.10 0.42 -2.50 0.00 0.00 175.30 172.94 2rok s ILE 499 N -3.07 0.76 0.09 4.11 1.01 -1.26 -1.36 121.20 121.47 2rok s ILE 499 Ca -0.01 -0.89 -0.03 0.00 0.00 0.00 0.00 60.65 59.72 2rok s ILE 499 Cb 0.01 -0.73 -0.03 0.00 0.01 0.00 0.00 42.46 41.72 2rok s ILE 499 CO -0.07 -0.13 0.06 0.00 0.00 0.00 0.00 174.94 174.81 2rok s GLN 500 N -1.13 0.78 0.79 2.79 -2.07 -0.25 -4.95 119.66 115.62 2rok s GLN 500 Ca -0.03 -1.22 -0.11 0.00 -1.82 0.00 0.00 55.36 52.19 2rok s GLN 500 Cb -0.08 0.26 0.07 0.00 -1.09 0.00 0.00 33.01 32.17 2rok s GLN 500 CO 0.01 -0.21 1.09 0.95 -1.32 0.00 0.00 175.29 175.81 2rok s THR 501 N -3.94 3.24 0.42 3.63 -4.23 -1.26 -0.71 115.64 112.79 2rok s THR 501 Ca 0.12 0.40 0.08 0.00 -1.18 0.00 0.00 61.69 61.11 2rok s THR 501 Cb 0.07 -2.99 0.26 0.00 1.34 0.00 0.00 72.50 71.17 2rok s THR 501 CO -0.06 -0.53 2.06 0.22 -0.54 0.00 0.00 174.62 175.77 2rok h TYR 502 N -1.15 0.43 -0.56 3.99 3.20 -1.48 -1.71 116.97 119.69 2rok h TYR 502 Ca -0.46 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.35 2rok h TYR 502 Cb 1.25 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 39.35 2rok h TYR 502 CO 0.52 0.29 0.06 0.00 -1.64 0.00 0.00 178.16 177.40 2rok h ALA 503 N 1.76 1.06 -0.50 1.82 0.00 -1.86 -0.66 119.26 120.88 2rok h ALA 503 Ca 0.12 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.65 2rok h ALA 503 Cb -0.02 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 2rok h ALA 503 CO -0.02 0.60 -0.18 0.93 0.00 0.00 0.00 179.25 180.58 2rok h GLU 504 N 0.86 0.99 -0.87 0.00 5.08 -1.83 -0.31 114.58 118.51 2rok h GLU 504 Ca 0.17 -0.40 -0.03 0.00 -1.00 0.00 0.00 59.36 58.10 2rok h GLU 504 Cb 0.42 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.58 2rok h GLU 504 CO 0.01 1.08 0.43 -0.92 -1.00 0.00 0.00 179.01 178.61 2rok h TYR 505 N 0.87 1.24 -0.55 4.33 3.20 -1.12 -1.04 116.97 123.89 2rok h TYR 505 Ca 0.12 -0.05 -0.06 0.00 3.14 0.00 0.00 58.73 61.88 2rok h TYR 505 Cb 0.75 -0.39 -0.02 0.00 1.54 0.00 0.00 36.73 38.61 2rok h TYR 505 CO 0.05 0.88 0.12 0.28 -1.64 0.00 0.00 178.16 177.86 2rok h VAL 506 N 1.23 1.25 -0.59 1.81 2.07 -1.06 -2.03 116.25 118.93 2rok h VAL 506 Ca 0.30 -0.90 -0.03 0.00 0.82 0.00 0.00 66.70 66.89 2rok h VAL 506 Cb 0.10 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 2rok h VAL 506 CO -0.04 0.33 0.26 1.23 0.02 0.00 0.00 177.57 179.37 2rok h GLY 507 N 0.79 0.90 1.51 2.17 0.00 -0.56 -1.74 103.07 106.13 2rok h GLY 507 Ca 0.17 -0.43 -0.10 0.00 0.00 0.00 0.00 47.33 46.97 2rok h GLY 507 CO 0.00 0.41 -0.21 0.50 0.00 0.00 0.00 176.54 177.25 2rok h LYS 508 N 0.83 0.58 -0.81 4.80 1.57 -1.14 -3.02 116.57 119.39 2rok h LYS 508 Ca 0.20 -0.21 0.06 0.00 -1.87 0.00 0.00 60.65 58.84 2rok h LYS 508 Cb 0.12 -0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.33 2rok h LYS 508 CO -0.02 0.75 0.49 -0.22 -0.57 0.00 0.00 179.45 179.88 2rok h LYS 509 N 0.51 0.86 0.00 3.15 3.64 -0.58 -1.83 116.57 122.32 2rok h LYS 509 Ca 0.08 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 2rok h LYS 509 Cb 0.65 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 2rok h LYS 509 CO 0.05 0.57 0.00 1.04 -2.27 0.00 0.00 179.45 178.83 2rok n GLN 510 N -4.67 0.11 -1.42 1.90 6.02 -0.85 -3.95 117.38 114.51 2rok n GLN 510 Ca 0.12 0.21 0.04 0.00 -0.01 0.00 0.00 57.00 57.36 2rok n GLN 510 Cb 0.19 -1.66 0.05 0.00 1.02 0.00 0.00 30.24 29.84 2rok n GLN 510 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2rok n LYS 511 N -1.86 0.36 0.00 -1.09 5.02 -0.93 -5.09 118.16 114.57 2rok n LYS 511 Ca 0.05 -2.29 0.00 0.00 -2.02 0.00 0.00 58.31 54.04 2rok n LYS 511 Cb 0.29 -0.35 0.00 0.00 -0.02 0.00 0.00 35.03 34.95 2rok n LYS 511 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2rok n GLY 512 N 0.18 1.67 3.04 0.72 0.00 -0.73 -4.95 105.19 105.11 2rok n GLY 512 Ca 0.08 -0.43 -0.23 0.00 0.00 0.00 0.00 46.02 45.44 2rok n GLY 512 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2rok s LYS 513 N 1.65 1.41 0.00 1.61 -2.85 -1.26 -4.90 119.74 115.41 2rok s LYS 513 Ca 0.00 -0.41 0.00 0.00 -1.00 0.00 0.00 55.97 54.56 2rok s LYS 513 Cb 0.00 -1.23 0.00 0.00 -2.06 0.00 0.00 37.83 34.54 2rok s LYS 513 CO 0.00 0.11 0.09 0.94 0.10 0.00 0.00 175.35 176.59 2rok n GLN 514 N 3.47 0.00 0.30 1.78 7.27 -1.26 -4.97 117.38 123.98 2rok n GLN 514 Ca -0.20 -0.09 0.20 0.00 0.07 0.00 0.00 57.00 56.97 2rok n GLN 514 Cb 0.53 -0.15 1.05 0.00 2.41 0.00 0.00 30.24 34.07 2rok n GLN 514 CO 0.00 0.00 0.00 -0.39 0.07 0.00 0.00 177.06 176.74 2rok h VAL 515 N 2.22 0.00 0.00 1.69 -1.51 -1.97 -1.60 116.25 115.08 2rok h VAL 515 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 2rok h VAL 515 Cb 0.80 0.85 0.00 0.00 -2.13 0.00 0.00 31.29 30.81 2rok h VAL 515 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 177.57 176.84 2rok h LYS 516 N 0.00 0.00 -5.35 5.19 1.63 -2.00 -3.45 116.57 112.58 2rok h LYS 516 Ca 0.00 0.00 -0.42 0.00 -0.85 0.00 0.00 60.65 59.38 2rok h LYS 516 Cb 0.10 0.00 -0.22 0.00 -0.60 0.00 0.00 32.23 31.50 2rok h LYS 516 CO 0.00 0.00 -0.78 -1.12 -3.45 0.00 0.00 179.45 174.10 2rok s SER 517 N -4.48 1.69 0.00 4.20 0.01 -0.60 -5.13 113.70 109.38 2rok s SER 517 Ca 0.02 -0.57 0.00 0.00 1.31 0.00 0.00 55.95 56.71 2rok s SER 517 Cb 0.09 -0.07 0.00 0.00 0.21 0.00 0.00 66.02 66.25 2rok s SER 517 CO 0.38 -0.04 0.00 0.61 0.41 0.00 0.00 173.24 174.60 2rok n GLY 518 N 1.45 -2.23 3.49 3.44 0.00 -1.26 -5.02 105.19 105.07 2rok n GLY 518 Ca -0.20 -1.24 -0.35 0.00 0.00 0.00 0.00 46.02 44.22 2rok n GLY 518 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2rok n PRO 519 N -0.56 0.22 0.32 1.61 -0.02 -1.26 -4.91 135.00 130.40 2rok n PRO 519 Ca 0.00 0.12 0.21 0.00 -2.02 0.00 0.00 63.50 61.82 2rok n PRO 519 Cb 0.00 -1.92 1.14 0.00 -0.02 0.00 0.00 33.50 32.70 2rok n PRO 519 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2rok h SER 520 N -0.59 0.00 0.51 2.55 4.64 -2.04 -2.36 113.55 116.27 2rok h SER 520 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 2rok h SER 520 Cb 1.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 2rok h SER 520 CO 0.42 0.00 0.00 0.28 -0.87 0.00 0.00 176.83 176.66 2rok h SER 521 N 0.00 0.00 0.00 4.97 0.02 -2.06 -3.56 113.55 112.92 2rok h SER 521 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2rok h SER 521 Cb 0.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.55 2rok h SER 521 CO 0.00 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.30