#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 0.03 0.17 1.61 3.41 -1.26 -4.82 113.62 112.76 2rok n SER 424 Ca 0.00 -0.28 0.01 0.00 -0.26 0.00 0.00 58.87 58.34 2rok n SER 424 Cb 0.00 0.11 0.28 0.00 -0.26 0.00 0.00 64.21 64.34 2rok n SER 424 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2rok h SER 425 N 0.00 0.00 -1.23 4.04 4.64 -1.94 -3.49 113.55 115.57 2rok h SER 425 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2rok h SER 425 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 2rok h SER 425 CO 0.00 0.47 0.00 0.61 -0.87 0.00 0.00 176.83 177.04 2rok n GLY 426 N -0.17 0.01 0.32 -0.77 0.00 -1.26 -4.48 105.19 98.84 2rok n GLY 426 Ca -0.02 -1.49 0.19 0.00 0.00 0.00 0.00 46.02 44.71 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 0.37 1.61 0.02 -1.96 -1.92 113.55 111.67 2rok h SER 427 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2rok h SER 427 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2rok h SER 427 CO 0.00 0.00 0.00 -1.20 -1.14 0.00 0.00 176.83 174.49 2rok n SER 428 N -3.40 0.08 -2.07 3.07 7.64 -1.26 -4.47 113.62 113.20 2rok n SER 428 Ca -0.03 0.52 -0.04 0.00 1.01 0.00 0.00 58.87 60.34 2rok n SER 428 Cb 0.11 -0.54 -0.05 0.00 -1.01 0.00 0.00 64.21 62.72 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 -0.45 1.80 0.00 0.23 0.00 -0.72 -2.89 105.19 103.16 2rok n GLY 429 Ca 0.02 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 2.39 -0.40 0.00 -0.02 0.00 -1.26 -4.85 105.19 101.05 2rok n GLY 430 Ca 0.13 0.26 0.15 0.00 0.00 0.00 0.00 46.02 46.57 2rok n GLY 430 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2rok n PRO 431 N 0.00 0.76 -4.18 1.61 -0.04 -1.25 -4.90 135.00 127.00 2rok n PRO 431 Ca 0.00 -0.01 -0.11 0.00 -0.04 0.00 0.00 63.50 63.34 2rok n PRO 431 Cb 0.00 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 31.86 2rok n PRO 431 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2rok s ASP 432 N -2.25 0.21 0.40 3.54 -1.08 -1.14 -5.09 116.67 111.25 2rok s ASP 432 Ca 0.39 -1.32 -0.06 0.00 -0.52 0.00 0.00 52.55 51.05 2rok s ASP 432 Cb 0.21 0.35 -0.05 0.00 -1.46 0.00 0.00 42.92 41.97 2rok s ASP 432 CO 0.41 -0.80 0.70 -0.76 0.52 0.00 0.00 175.17 175.24 2rok s LEU 433 N -3.12 3.84 -1.11 -1.34 1.43 -1.26 -4.56 118.68 112.56 2rok s LEU 433 Ca 0.33 0.90 -0.07 0.00 -1.03 0.00 0.00 54.13 54.26 2rok s LEU 433 Cb 0.07 -3.79 0.01 0.00 0.03 0.00 0.00 46.19 42.51 2rok s LEU 433 CO 0.08 -0.40 0.13 0.00 0.23 0.00 0.00 176.35 176.39 2rok n GLN 434 N -1.57 -0.81 -0.06 1.70 6.02 -1.26 -4.77 117.38 116.63 2rok n GLN 434 Ca 0.00 0.03 0.19 0.00 -0.01 0.00 0.00 57.00 57.21 2rok n GLN 434 Cb 0.55 -2.42 0.64 0.00 1.02 0.00 0.00 30.24 30.02 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 -1.15 0.13 0.00 -1.09 0.11 -1.85 -0.51 132.00 127.63 2rok h PRO 435 Ca -0.51 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2rok h PRO 435 Cb 1.06 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.14 2rok h PRO 435 CO 0.50 0.08 0.00 0.36 -0.21 0.00 0.00 178.00 178.73 2rok n LYS 436 N -4.40 0.35 0.00 1.05 2.85 -1.26 -3.61 118.16 113.14 2rok n LYS 436 Ca 0.12 0.08 0.00 0.00 -1.05 0.00 0.00 58.31 57.46 2rok n LYS 436 Cb 0.61 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.49 2rok n LYS 436 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2rok n ARG 437 N -1.19 3.79 0.14 -1.58 5.12 -0.37 -4.84 116.66 117.73 2rok n ARG 437 Ca 0.10 0.00 0.10 0.00 -1.93 0.00 0.00 57.85 56.12 2rok n ARG 437 Cb 0.11 -0.60 0.51 0.00 -1.16 0.00 0.00 32.46 31.32 2rok n ARG 437 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 2rok n ASP 438 N -0.48 0.54 -0.87 0.55 2.03 -0.34 -1.60 116.55 116.37 2rok n ASP 438 Ca 0.00 0.71 0.09 0.00 0.52 0.00 0.00 54.79 56.11 2rok n ASP 438 Cb 0.00 -0.80 0.26 0.00 -0.72 0.00 0.00 41.12 39.86 2rok n ASP 438 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2rok n HIS 439 N -2.18 0.52 -5.13 -0.67 1.44 -1.26 -4.67 115.22 103.27 2rok n HIS 439 Ca -0.00 -0.26 -0.32 0.00 -2.01 0.00 0.00 57.72 55.13 2rok n HIS 439 Cb 0.09 0.00 -0.15 0.00 0.12 0.00 0.00 29.99 30.05 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 -1.48 2.46 0.36 0.61 1.01 -0.63 -1.30 120.40 121.43 2rok s VAL 440 Ca 0.34 -0.95 0.08 0.00 0.00 0.00 0.00 61.98 61.46 2rok s VAL 440 Cb 0.18 -1.91 -0.05 0.00 0.00 0.00 0.00 36.38 34.61 2rok s VAL 440 CO 0.25 0.58 0.12 -0.76 0.00 0.00 0.00 175.10 175.30 2rok s LEU 441 N -0.57 3.16 -0.00 3.92 1.43 -0.08 -1.46 118.68 125.08 2rok s LEU 441 Ca 0.08 -0.90 0.05 0.00 -1.03 0.00 0.00 54.13 52.33 2rok s LEU 441 Cb -0.11 -1.58 -0.01 0.00 0.03 0.00 0.00 46.19 44.52 2rok s LEU 441 CO 0.00 -0.35 -0.16 -2.28 0.23 0.00 0.00 176.35 173.79 2rok s HIS 442 N -2.49 1.44 0.00 0.29 5.65 0.37 -1.11 115.29 119.43 2rok s HIS 442 Ca 0.38 -0.29 0.02 0.00 0.25 0.00 0.00 55.06 55.42 2rok s HIS 442 Cb -0.00 -0.91 -0.01 0.00 -1.18 0.00 0.00 32.58 30.48 2rok s HIS 442 CO 0.22 -0.01 -0.05 0.08 -0.65 0.00 0.00 174.74 174.33 2rok s VAL 443 N -0.45 0.40 -0.02 0.89 1.01 0.13 -1.14 120.40 121.22 2rok s VAL 443 Ca 0.06 -0.30 0.02 0.00 0.00 0.00 0.00 61.98 61.76 2rok s VAL 443 Cb -0.06 -0.36 0.00 0.00 0.00 0.00 0.00 36.38 35.96 2rok s VAL 443 CO -0.00 0.06 -0.07 -0.89 0.00 0.00 0.00 175.10 174.20 2rok s THR 444 N -0.25 0.59 0.13 3.92 2.01 -0.55 -1.82 115.64 119.67 2rok s THR 444 Ca 0.01 -0.25 -0.22 0.00 0.31 0.00 0.00 61.69 61.53 2rok s THR 444 Cb -0.03 -0.53 0.06 0.00 0.01 0.00 0.00 72.50 72.01 2rok s THR 444 CO -0.00 0.19 0.57 0.72 -0.69 0.00 0.00 174.62 175.41 2rok s PHE 445 N 0.22 -0.49 0.53 4.92 -0.12 -0.61 -1.05 117.98 121.38 2rok s PHE 445 Ca -0.03 0.33 -0.20 0.00 -0.05 0.00 0.00 56.93 56.97 2rok s PHE 445 Cb -0.07 0.49 -0.08 0.00 -0.63 0.00 0.00 43.02 42.73 2rok s PHE 445 CO 0.00 -0.80 0.86 -2.30 -0.05 0.00 0.00 175.22 172.93 2rok n PRO 446 N -0.23 0.95 0.09 1.99 -0.02 -1.26 -4.62 135.00 131.91 2rok n PRO 446 Ca -0.17 0.36 0.07 0.00 -2.02 0.00 0.00 63.50 61.73 2rok n PRO 446 Cb 0.64 -1.99 0.34 0.00 -0.02 0.00 0.00 33.50 32.47 2rok n PRO 446 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 2rok n LYS 447 N -0.33 0.08 0.19 -0.52 2.85 -1.26 -2.18 118.16 116.99 2rok n LYS 447 Ca 0.12 0.56 0.14 0.00 -1.05 0.00 0.00 58.31 58.08 2rok n LYS 447 Cb 0.44 -1.76 0.44 0.00 -0.65 0.00 0.00 35.03 33.50 2rok n LYS 447 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 2rok h GLU 448 N 0.00 0.00 -7.19 -1.58 4.39 -1.90 -3.47 114.58 104.82 2rok h GLU 448 Ca 0.00 0.00 -0.52 0.00 0.34 0.00 0.00 59.36 59.18 2rok h GLU 448 Cb 0.02 0.00 0.14 0.00 -0.10 0.00 0.00 28.75 28.81 2rok h GLU 448 CO 0.00 0.00 0.38 -1.58 -1.16 0.00 0.00 179.01 176.65 2rok s TRP 449 N -3.33 2.27 0.34 4.33 0.52 -0.92 -5.08 118.94 117.06 2rok s TRP 449 Ca 0.06 1.59 0.10 0.00 0.02 0.00 0.00 56.10 57.86 2rok s TRP 449 Cb 0.09 -3.34 -0.06 0.00 -1.15 0.00 0.00 33.47 29.00 2rok s TRP 449 CO 0.56 -2.23 -0.09 0.15 0.02 0.00 0.00 176.95 175.35 2rok s LYS 450 N -4.02 1.83 0.49 4.98 -0.14 -1.26 -5.02 119.74 116.59 2rok s LYS 450 Ca 0.71 -1.92 0.19 0.00 -1.36 0.00 0.00 55.97 53.59 2rok s LYS 450 Cb -0.25 -1.72 1.23 0.00 -1.68 0.00 0.00 37.83 35.40 2rok s LYS 450 CO 0.44 0.15 2.00 1.15 -0.76 0.00 0.00 175.35 178.33 2rok h THR 451 N 2.02 0.82 -0.66 2.17 2.02 -1.99 -1.41 112.91 115.88 2rok h THR 451 Ca -0.42 -0.06 -0.06 0.00 0.77 0.00 0.00 66.41 66.64 2rok h THR 451 Cb 1.25 0.63 -0.03 0.00 -1.74 0.00 0.00 68.15 68.26 2rok h THR 451 CO 0.70 0.03 0.16 0.28 0.37 0.00 0.00 175.52 177.07 2rok h SER 452 N 0.18 1.00 0.30 4.18 0.02 -1.99 0.31 113.55 117.55 2rok h SER 452 Ca 0.24 -0.23 -0.07 0.00 -0.84 0.00 0.00 61.79 60.89 2rok h SER 452 Cb 0.73 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.99 2rok h SER 452 CO -0.04 0.97 -0.32 0.44 -1.14 0.00 0.00 176.83 176.74 2rok h ASP 453 N 0.98 0.03 -0.18 3.07 3.32 -1.68 -0.71 116.42 121.25 2rok h ASP 453 Ca 0.21 -0.01 -0.09 0.00 0.02 0.00 0.00 57.03 57.16 2rok h ASP 453 Cb 0.36 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 39.90 2rok h ASP 453 CO 0.00 0.34 -0.24 -0.07 -1.72 0.00 0.00 179.24 177.55 2rok h LEU 454 N 0.02 0.52 -1.05 1.55 3.38 -1.01 -0.65 115.31 118.07 2rok h LEU 454 Ca 0.00 -0.51 0.06 0.00 0.09 0.00 0.00 57.88 57.52 2rok h LEU 454 Cb 0.58 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 41.11 2rok h LEU 454 CO 0.04 0.93 0.64 1.88 0.09 0.00 0.00 178.44 182.02 2rok h TYR 455 N 0.13 1.17 -0.16 1.13 0.05 -0.76 -2.23 116.97 116.29 2rok h TYR 455 Ca 0.02 0.03 -0.10 0.00 0.05 0.00 0.00 58.73 58.73 2rok h TYR 455 Cb 0.81 -0.39 -0.01 0.00 1.01 0.00 0.00 36.73 38.15 2rok h TYR 455 CO 0.09 0.63 -0.32 0.37 -1.05 0.00 0.00 178.16 177.88 2rok h GLN 456 N 1.17 0.33 -0.08 4.88 5.75 -1.01 -0.52 115.11 125.63 2rok h GLN 456 Ca 0.41 -0.13 -0.12 0.00 -0.15 0.00 0.00 58.65 58.66 2rok h GLN 456 Cb 0.13 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.65 2rok h GLN 456 CO -0.15 0.62 -0.47 1.25 -2.65 0.00 0.00 178.83 177.42 2rok h LEU 457 N 0.28 0.20 -2.25 -2.39 5.85 -0.61 -3.35 115.31 113.05 2rok h LEU 457 Ca 0.04 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.66 2rok h LEU 457 Cb 0.71 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.68 2rok h LEU 457 CO 0.05 0.65 0.00 0.49 -0.34 0.00 0.00 178.44 179.29 2rok n PHE 458 N -3.97 0.12 0.28 1.25 3.72 -0.88 -4.66 117.46 113.32 2rok n PHE 458 Ca -0.02 -0.30 0.17 0.00 -0.05 0.00 0.00 57.45 57.26 2rok n PHE 458 Cb 0.52 -0.02 0.95 0.00 -0.94 0.00 0.00 39.48 39.99 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 0.91 0.00 0.00 4.37 4.64 -1.22 -2.00 113.55 120.25 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 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 2rok h SER 459 CO 0.00 0.00 0.06 0.00 -0.87 0.00 0.00 176.83 176.02 2rok n ALA 460 N -2.24 0.94 0.08 5.18 0.00 -1.26 -2.20 120.51 121.01 2rok n ALA 460 Ca -0.02 0.12 0.03 0.00 0.00 0.00 0.00 53.44 53.58 2rok n ALA 460 Cb 0.17 -1.10 0.06 0.00 0.00 0.00 0.00 19.45 18.59 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 -1.94 0.15 0.00 0.00 3.72 -0.75 -5.10 117.46 113.54 2rok n PHE 461 Ca -0.01 -0.26 0.00 0.00 -0.05 0.00 0.00 57.45 57.13 2rok n PHE 461 Cb 0.08 -0.02 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 0.26 2.72 3.71 1.37 0.00 -0.93 -4.71 105.19 107.61 2rok n GLY 462 Ca 0.06 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 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 -4.00 6.41 0.17 1.61 2.47 -1.26 -4.78 114.94 115.56 2rok s ASN 463 Ca 0.00 2.81 -0.04 0.00 0.42 0.00 0.00 52.86 56.05 2rok s ASN 463 Cb 0.00 -2.59 -0.03 0.00 -1.45 0.00 0.00 41.25 37.18 2rok s ASN 463 CO 0.00 -0.97 0.17 0.27 -3.72 0.00 0.00 177.10 172.85 2rok s ILE 464 N 1.67 0.05 -0.30 -5.21 -4.36 -1.26 -3.64 121.20 108.14 2rok s ILE 464 Ca 0.76 -1.79 -0.03 0.00 -0.26 0.00 0.00 60.65 59.33 2rok s ILE 464 Cb -0.48 -2.19 0.10 0.00 1.25 0.00 0.00 42.46 41.14 2rok s ILE 464 CO 0.33 -0.21 0.13 -1.10 0.24 0.00 0.00 174.94 174.32 2rok s GLN 465 N -4.07 0.34 0.30 0.37 -0.21 -0.36 -5.01 119.66 111.02 2rok s GLN 465 Ca 0.28 -0.71 -0.27 0.00 0.02 0.00 0.00 55.36 54.68 2rok s GLN 465 Cb 0.06 -1.37 -0.10 0.00 1.00 0.00 0.00 33.01 32.60 2rok s GLN 465 CO 0.06 -1.02 0.95 0.42 -2.12 0.00 0.00 175.29 173.58 2rok s ILE 466 N 1.93 4.14 -0.16 1.08 1.01 -1.26 -1.00 121.20 126.94 2rok s ILE 466 Ca 0.10 1.87 -0.04 0.00 0.00 0.00 0.00 60.65 62.58 2rok s ILE 466 Cb -0.17 -4.08 0.06 0.00 0.01 0.00 0.00 42.46 38.28 2rok s ILE 466 CO -0.32 0.23 0.12 -0.55 0.00 0.00 0.00 174.94 174.42 2rok s SER 467 N -1.49 1.95 0.73 3.58 0.15 -0.00 -4.99 113.70 113.63 2rok s SER 467 Ca 0.48 -0.41 -0.15 0.00 0.70 0.00 0.00 55.95 56.57 2rok s SER 467 Cb -0.21 -0.09 0.04 0.00 -1.71 0.00 0.00 66.02 64.06 2rok s SER 467 CO 0.26 -0.33 1.21 0.26 1.20 0.00 0.00 173.24 175.84 2rok s TRP 468 N 2.19 2.04 0.00 3.44 0.52 -1.26 -0.43 118.94 125.44 2rok s TRP 468 Ca 0.03 1.60 0.00 0.00 0.02 0.00 0.00 56.10 57.75 2rok s TRP 468 Cb -0.15 -3.47 0.00 0.00 -1.15 0.00 0.00 33.47 28.70 2rok s TRP 468 CO -0.09 -2.62 0.00 -0.89 0.02 0.00 0.00 176.95 173.38 2rok n ILE 469 N -2.74 0.00 -3.97 2.03 5.41 -0.87 -4.81 119.36 114.41 2rok n ILE 469 Ca 0.13 0.00 -0.12 0.00 1.00 0.00 0.00 62.75 63.77 2rok n ILE 469 Cb 0.50 -0.48 -0.02 0.00 -0.71 0.00 0.00 39.64 38.93 2rok n ILE 469 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2rok s ASP 470 N -4.07 0.45 0.00 4.38 2.15 -1.05 -5.01 116.67 113.51 2rok s ASP 470 Ca 0.00 -1.28 0.10 0.00 0.43 0.00 0.00 52.55 51.81 2rok s ASP 470 Cb 0.00 0.72 0.61 0.00 -0.30 0.00 0.00 42.92 43.96 2rok s ASP 470 CO 0.00 -1.42 1.04 -0.90 -0.17 0.00 0.00 175.17 173.72 2rok n ASP 471 N -1.27 0.00 0.00 -0.34 5.75 -1.26 -2.47 116.55 116.96 2rok n ASP 471 Ca -0.03 -0.40 0.00 0.00 -0.01 0.00 0.00 54.79 54.35 2rok n ASP 471 Cb 0.61 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.70 2rok n ASP 471 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 2rok n THR 472 N -0.94 0.05 -3.66 2.12 -2.24 -1.26 -4.53 114.28 103.82 2rok n THR 472 Ca 0.08 -0.07 -0.15 0.00 -2.27 0.00 0.00 64.05 61.63 2rok n THR 472 Cb 0.04 1.40 -0.08 0.00 -2.10 0.00 0.00 70.33 69.59 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 -0.05 -0.41 0.01 3.42 1.04 -1.03 -1.57 113.70 115.11 2rok s SER 473 Ca 0.00 0.41 -0.17 0.00 0.48 0.00 0.00 55.95 56.67 2rok s SER 473 Cb 0.00 0.45 0.03 0.00 0.10 0.00 0.00 66.02 66.60 2rok s SER 473 CO 0.00 -0.50 0.36 0.00 0.98 0.00 0.00 173.24 174.08 2rok s ALA 474 N -1.17 -0.89 0.33 5.32 0.00 -0.76 -2.05 121.76 122.54 2rok s ALA 474 Ca -0.12 0.31 -0.08 0.00 0.00 0.00 0.00 51.96 52.08 2rok s ALA 474 Cb -0.03 0.20 -0.06 0.00 0.00 0.00 0.00 23.12 23.23 2rok s ALA 474 CO 0.06 -0.36 0.65 -0.06 0.00 0.00 0.00 175.76 176.05 2rok s PHE 475 N -1.93 3.46 -0.18 0.00 0.08 0.42 -0.69 117.98 119.15 2rok s PHE 475 Ca -0.09 0.85 -0.05 0.00 0.12 0.00 0.00 56.93 57.76 2rok s PHE 475 Cb -0.03 -2.27 0.06 0.00 -0.57 0.00 0.00 43.02 40.21 2rok s PHE 475 CO 0.01 0.07 0.09 0.08 -0.10 0.00 0.00 175.22 175.37 2rok s VAL 476 N -2.16 -0.04 0.09 -0.44 1.01 -0.27 -0.82 120.40 117.77 2rok s VAL 476 Ca 0.48 -0.21 -0.30 0.00 0.00 0.00 0.00 61.98 61.95 2rok s VAL 476 Cb -0.11 -0.62 -0.06 0.00 0.00 0.00 0.00 36.38 35.60 2rok s VAL 476 CO 0.29 -0.29 1.06 -0.44 0.00 0.00 0.00 175.10 175.72 2rok s SER 477 N 2.12 7.30 0.24 3.32 0.01 -0.17 -0.90 113.70 125.62 2rok s SER 477 Ca 0.02 1.90 0.09 0.00 1.31 0.00 0.00 55.95 59.27 2rok s SER 477 Cb -0.16 -2.59 -0.04 0.00 0.21 0.00 0.00 66.02 63.44 2rok s SER 477 CO -0.10 -0.25 -0.00 -0.76 0.41 0.00 0.00 173.24 172.54 2rok s LEU 478 N 0.39 3.23 0.54 2.44 1.43 -0.42 -1.22 118.68 125.06 2rok s LEU 478 Ca 0.52 -0.57 0.33 0.00 -1.03 0.00 0.00 54.13 53.37 2rok s LEU 478 Cb -0.26 -1.79 1.45 0.00 0.03 0.00 0.00 46.19 45.63 2rok s LEU 478 CO 0.31 0.02 2.03 0.28 0.23 0.00 0.00 176.35 179.22 2rok h SER 479 N 2.09 0.00 -5.00 2.29 0.02 -1.84 -3.45 113.55 107.67 2rok h SER 479 Ca -0.45 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.35 2rok h SER 479 Cb 1.24 0.00 -0.20 0.00 0.14 0.00 0.00 62.40 63.57 2rok h SER 479 CO 0.59 0.06 -0.55 -1.10 -1.14 0.00 0.00 176.83 174.69 2rok s GLN 480 N -3.82 0.45 0.36 3.45 -0.21 -1.26 -4.90 119.66 113.74 2rok s GLN 480 Ca -0.00 -0.51 0.27 0.00 0.02 0.00 0.00 55.36 55.13 2rok s GLN 480 Cb 0.10 0.18 1.14 0.00 1.00 0.00 0.00 33.01 35.43 2rok s GLN 480 CO 0.55 -0.10 1.81 -1.00 -2.12 0.00 0.00 175.29 174.43 2rok h PRO 481 N 4.27 0.00 -0.43 2.91 0.13 -1.83 -2.68 132.00 134.37 2rok h PRO 481 Ca -0.31 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.74 2rok h PRO 481 Cb 1.20 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 2rok h PRO 481 CO 0.42 0.00 -0.05 0.93 -0.23 0.00 0.00 178.00 179.07 2rok h GLU 482 N 0.00 0.72 -0.08 0.86 4.39 -1.97 -3.19 114.58 115.32 2rok h GLU 482 Ca 0.00 -0.21 -0.11 0.00 0.34 0.00 0.00 59.36 59.38 2rok h GLU 482 Cb 0.40 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.96 2rok h GLU 482 CO 0.00 0.77 -0.44 1.96 -1.16 0.00 0.00 179.01 180.14 2rok h GLN 483 N 0.67 0.18 -0.84 2.33 4.20 -1.90 -2.61 115.11 117.15 2rok h GLN 483 Ca 0.13 -0.09 0.06 0.00 0.06 0.00 0.00 58.65 58.81 2rok h GLN 483 Cb 0.49 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.21 2rok h GLN 483 CO 0.03 0.60 0.51 0.28 -0.67 0.00 0.00 178.83 179.57 2rok h VAL 484 N 0.15 1.03 -0.66 -0.54 2.07 -1.63 -2.16 116.25 114.50 2rok h VAL 484 Ca 0.01 -0.32 -0.07 0.00 0.82 0.00 0.00 66.70 67.14 2rok h VAL 484 Cb 0.85 0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 2rok h VAL 484 CO 0.07 0.17 0.15 1.56 0.02 0.00 0.00 177.57 179.53 2rok h GLN 485 N 0.93 1.06 -0.12 1.57 1.08 -1.52 -1.62 115.11 116.49 2rok h GLN 485 Ca 0.37 -0.25 -0.01 0.00 -1.45 0.00 0.00 58.65 57.30 2rok h GLN 485 Cb 0.18 -0.14 -0.00 0.00 -0.05 0.00 0.00 27.48 27.47 2rok h GLN 485 CO -0.18 0.94 0.02 0.82 -0.95 0.00 0.00 178.83 179.49 2rok h ILE 486 N 1.00 1.21 -0.55 2.54 2.04 -1.45 -1.61 117.51 120.70 2rok h ILE 486 Ca 0.21 -0.66 -0.05 0.00 1.00 0.00 0.00 64.86 65.36 2rok h ILE 486 Cb 0.37 1.43 -0.03 0.00 -0.74 0.00 0.00 36.82 37.85 2rok h ILE 486 CO 0.00 0.19 0.15 0.00 0.00 0.00 0.00 178.15 178.49 2rok h ALA 487 N 0.80 1.23 -0.71 1.87 0.00 -1.24 -0.60 119.26 120.61 2rok h ALA 487 Ca 0.04 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 2rok h ALA 487 Cb 0.28 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 2rok h ALA 487 CO 0.00 0.54 0.18 0.28 0.00 0.00 0.00 179.25 180.24 2rok h VAL 488 N 0.81 1.26 -0.18 0.00 2.07 -1.26 -2.50 116.25 116.44 2rok h VAL 488 Ca 0.18 -0.97 -0.01 0.00 0.82 0.00 0.00 66.70 66.72 2rok h VAL 488 Cb 0.27 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 2rok h VAL 488 CO -0.00 0.37 0.07 -1.13 0.02 0.00 0.00 177.57 176.90 2rok h ASN 489 N 1.07 0.26 0.50 0.57 -1.24 -0.67 -3.26 115.58 112.81 2rok h ASN 489 Ca 0.22 -0.18 -0.10 0.00 0.71 0.00 0.00 56.30 56.96 2rok h ASN 489 Cb 0.37 -0.07 -0.01 0.00 0.73 0.00 0.00 38.32 39.34 2rok h ASN 489 CO 0.00 0.37 -0.45 0.71 -1.29 0.00 0.00 177.43 176.76 2rok h THR 490 N 0.14 1.28 0.00 -3.57 1.35 -1.10 -2.97 112.91 108.03 2rok h THR 490 Ca 0.06 -1.58 0.00 0.00 -0.55 0.00 0.00 66.41 64.34 2rok h THR 490 Cb 0.19 1.86 0.00 0.00 -1.73 0.00 0.00 68.15 68.47 2rok h THR 490 CO -0.00 0.44 0.00 -1.28 -0.25 0.00 0.00 175.52 174.43 2rok h SER 491 N 0.00 0.00 0.02 5.36 0.87 -1.49 -2.20 113.55 116.12 2rok h SER 491 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2rok h SER 491 Cb 0.83 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.79 2rok h SER 491 CO 0.06 0.00 0.00 0.11 -0.53 0.00 0.00 176.83 176.47 2rok h LYS 492 N 0.00 0.00 0.00 2.24 1.57 -1.65 -2.98 116.57 115.75 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 0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.43 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 -2.53 0.00 -1.56 -1.35 4.01 -0.83 -5.07 117.16 109.83 2rok n TYR 493 Ca -0.02 -0.34 -0.33 0.00 -0.16 0.00 0.00 57.90 57.05 2rok n TYR 493 Cb 0.05 -0.03 0.07 0.00 -0.31 0.00 0.00 39.34 39.12 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 -0.67 2.29 0.00 -0.72 0.00 -1.13 -5.01 121.76 116.52 2rok s ALA 494 Ca 0.00 0.64 0.00 0.00 0.00 0.00 0.00 51.96 52.60 2rok s ALA 494 Cb 0.00 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.75 2rok s ALA 494 CO 0.00 -1.58 0.01 0.39 0.00 0.00 0.00 175.76 174.57 2rok n GLU 495 N -2.68 2.12 0.00 0.00 1.02 -1.26 -4.88 120.64 114.96 2rok n GLU 495 Ca 0.11 -0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.25 2rok n GLU 495 Cb 0.51 -0.18 0.00 0.00 -0.02 0.00 0.00 31.44 31.75 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 -0.31 0.26 -3.66 1.62 7.64 -1.26 -5.11 113.62 112.80 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 0.01 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.20 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 -0.12 0.02 1.43 1.13 -1.26 -4.29 117.35 114.15 2rok s TYR 497 Ca 0.00 -0.36 -0.03 0.00 -1.41 0.00 0.00 57.07 55.27 2rok s TYR 497 Cb 0.00 0.73 -0.01 0.00 -1.10 0.00 0.00 41.96 41.57 2rok s TYR 497 CO 0.00 -1.25 0.03 1.03 -2.51 0.00 0.00 175.55 172.85 2rok s ARG 498 N -3.51 0.41 0.01 -3.49 3.00 -0.21 -4.79 118.95 110.36 2rok s ARG 498 Ca 0.12 -0.61 0.03 0.00 0.00 0.00 0.00 55.73 55.27 2rok s ARG 498 Cb -0.05 0.15 -0.01 0.00 0.00 0.00 0.00 34.95 35.04 2rok s ARG 498 CO 0.07 -0.08 -0.10 0.42 0.00 0.00 0.00 175.30 175.61 2rok s ILE 499 N -1.74 0.79 0.14 1.52 1.01 -1.26 -1.48 121.20 120.18 2rok s ILE 499 Ca -0.13 -0.63 -0.06 0.00 0.00 0.00 0.00 60.65 59.83 2rok s ILE 499 Cb -0.07 -0.70 -0.02 0.00 0.01 0.00 0.00 42.46 41.68 2rok s ILE 499 CO -0.01 0.07 0.18 0.00 0.00 0.00 0.00 174.94 175.18 2rok s GLN 500 N -0.63 1.02 0.85 2.79 -2.07 -0.29 -4.92 119.66 116.41 2rok s GLN 500 Ca 0.01 -1.24 -0.11 0.00 -1.82 0.00 0.00 55.36 52.20 2rok s GLN 500 Cb -0.05 0.32 0.10 0.00 -1.09 0.00 0.00 33.01 32.29 2rok s GLN 500 CO 0.00 -0.34 1.09 0.95 -1.32 0.00 0.00 175.29 175.68 2rok s THR 501 N -3.98 2.85 0.27 3.63 -4.23 -1.26 -0.48 115.64 112.43 2rok s THR 501 Ca 0.18 0.28 -0.04 0.00 -1.18 0.00 0.00 61.69 60.93 2rok s THR 501 Cb 0.05 -2.87 0.26 0.00 1.34 0.00 0.00 72.50 71.28 2rok s THR 501 CO -0.01 -0.36 1.93 0.22 -0.54 0.00 0.00 174.62 175.86 2rok h TYR 502 N -1.34 1.17 -0.54 3.99 5.03 -1.52 -0.98 116.97 122.78 2rok h TYR 502 Ca -0.48 0.03 -0.05 0.00 2.58 0.00 0.00 58.73 60.81 2rok h TYR 502 Cb 1.28 -0.39 -0.03 0.00 1.55 0.00 0.00 36.73 39.14 2rok h TYR 502 CO 0.45 0.71 0.14 0.00 -1.32 0.00 0.00 178.16 178.13 2rok h ALA 503 N 1.43 1.23 -0.18 1.82 0.00 -1.87 -2.11 119.26 119.59 2rok h ALA 503 Ca 0.37 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 2rok h ALA 503 Cb -0.06 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 2rok h ALA 503 CO -0.10 0.53 -0.00 0.93 0.00 0.00 0.00 179.25 180.62 2rok h GLU 504 N 0.79 0.31 -0.80 0.00 5.08 -1.86 -3.27 114.58 114.83 2rok h GLU 504 Ca 0.18 -0.10 0.12 0.00 -1.00 0.00 0.00 59.36 58.56 2rok h GLU 504 Cb 0.28 -0.03 -0.08 0.00 0.50 0.00 0.00 28.75 29.42 2rok h GLU 504 CO -0.00 0.53 0.41 -0.92 -1.00 0.00 0.00 179.01 178.02 2rok h TYR 505 N 0.06 0.73 -0.80 4.33 3.20 -0.82 -0.12 116.97 123.55 2rok h TYR 505 Ca 0.05 0.03 0.15 0.00 3.14 0.00 0.00 58.73 62.10 2rok h TYR 505 Cb 0.39 -0.20 -0.06 0.00 1.54 0.00 0.00 36.73 38.39 2rok h TYR 505 CO 0.03 0.21 0.53 0.28 -1.64 0.00 0.00 178.16 177.58 2rok h VAL 506 N 0.63 0.80 0.07 1.81 2.07 -1.45 -0.55 116.25 119.64 2rok h VAL 506 Ca 0.42 -0.17 -0.33 0.00 0.82 0.00 0.00 66.70 67.44 2rok h VAL 506 Cb 0.53 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 2rok h VAL 506 CO -0.32 0.09 -1.88 0.61 0.02 0.00 0.00 177.57 176.09 2rok n GLY 507 N -1.50 -0.74 0.00 2.17 0.00 -0.37 -4.01 105.19 100.74 2rok n GLY 507 Ca 0.15 -0.18 0.13 0.00 0.00 0.00 0.00 46.02 46.12 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 -3.30 0.68 0.01 1.61 4.01 -0.20 -4.40 118.16 116.58 2rok n LYS 508 Ca -0.26 0.01 0.14 0.00 -0.51 0.00 0.00 58.31 57.70 2rok n LYS 508 Cb 1.05 -1.50 0.59 0.00 -0.51 0.00 0.00 35.03 34.66 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 0.19 0.00 1.97 3.64 -1.23 -3.49 116.57 117.65 2rok h LYS 509 Ca 0.00 -0.01 0.29 0.00 -1.27 0.00 0.00 60.65 59.65 2rok h LYS 509 Cb 0.06 -0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 31.77 2rok h LYS 509 CO 0.00 0.13 -0.38 1.04 -2.27 0.00 0.00 179.45 177.97 2rok n GLN 510 N -4.45 -2.12 0.00 1.90 6.02 -1.26 -4.63 117.38 112.84 2rok n GLN 510 Ca 0.07 1.40 0.13 0.00 -0.01 0.00 0.00 57.00 58.58 2rok n GLN 510 Cb 0.39 -2.58 0.33 0.00 1.02 0.00 0.00 30.24 29.39 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 -3.30 0.43 0.00 -1.09 5.02 -1.26 -5.08 118.16 112.88 2rok n LYS 511 Ca 0.01 -0.25 0.00 0.00 -2.02 0.00 0.00 58.31 56.05 2rok n LYS 511 Cb 0.48 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.99 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 1.42 -2.06 3.05 0.72 0.00 -1.26 -5.02 105.19 102.03 2rok n GLY 512 Ca 0.09 -1.45 -0.12 0.00 0.00 0.00 0.00 46.02 44.54 2rok n GLY 512 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2rok s LYS 513 N 0.00 0.23 0.51 1.61 2.47 -1.26 -5.17 119.74 118.13 2rok s LYS 513 Ca 0.00 0.15 -0.21 0.00 -1.56 0.00 0.00 55.97 54.35 2rok s LYS 513 Cb 0.00 0.11 -0.06 0.00 -1.46 0.00 0.00 37.83 36.41 2rok s LYS 513 CO 0.00 -0.03 1.17 -0.65 0.16 0.00 0.00 175.35 176.00 2rok s GLN 514 N -0.09 3.50 0.00 4.03 1.11 -1.26 -4.98 119.66 121.96 2rok s GLN 514 Ca -0.02 1.76 0.00 0.00 0.01 0.00 0.00 55.36 57.11 2rok s GLN 514 Cb -0.02 -2.21 0.00 0.00 -1.01 0.00 0.00 33.01 29.77 2rok s GLN 514 CO 0.00 -0.76 0.00 0.28 0.01 0.00 0.00 175.29 174.82 2rok n VAL 515 N -0.91 0.00 -4.10 1.09 0.31 -1.26 -5.14 118.33 108.33 2rok n VAL 515 Ca 0.10 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.32 2rok n VAL 515 Cb 0.49 -0.11 -0.08 0.00 -0.91 0.00 0.00 33.84 33.23 2rok n VAL 515 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 2rok s LYS 516 N -0.97 1.38 0.55 5.55 -2.85 -1.26 -5.08 119.74 117.07 2rok s LYS 516 Ca 0.00 -1.45 0.30 0.00 -1.00 0.00 0.00 55.97 53.83 2rok s LYS 516 Cb 0.00 0.37 1.62 0.00 -2.06 0.00 0.00 37.83 37.77 2rok s LYS 516 CO 0.00 -0.52 2.14 0.66 0.10 0.00 0.00 175.35 177.72 2rok h SER 517 N 2.43 0.00 0.00 0.03 4.64 -2.06 -3.47 113.55 115.13 2rok h SER 517 Ca -0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 2rok h SER 517 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 2rok h SER 517 CO 0.44 0.08 0.00 0.61 -0.87 0.00 0.00 176.83 177.09 2rok n GLY 518 N -0.81 0.21 0.17 -0.77 0.00 -1.26 -5.04 105.19 97.69 2rok n GLY 518 Ca -0.02 -0.89 0.04 0.00 0.00 0.00 0.00 46.02 45.15 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 0.00 0.00 -3.86 1.61 0.13 -1.93 -3.48 132.00 124.47 2rok h PRO 519 Ca 0.00 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.86 2rok h PRO 519 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 2rok h PRO 519 CO 0.00 0.44 -0.35 0.43 -0.23 0.00 0.00 178.00 178.30 2rok n SER 520 N -3.53 -4.08 0.00 1.44 7.64 -1.26 -4.82 113.62 109.01 2rok n SER 520 Ca -0.00 0.14 0.00 0.00 1.01 0.00 0.00 58.87 60.02 2rok n SER 520 Cb 0.56 -3.45 0.00 0.00 -1.01 0.00 0.00 64.21 60.31 2rok n SER 520 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2rok n SER 521 N -1.86 0.15 0.00 6.43 3.41 -1.26 -5.31 113.62 115.18 2rok n SER 521 Ca -0.15 -1.04 0.00 0.00 -0.26 0.00 0.00 58.87 57.43 2rok n SER 521 Cb 0.61 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.56 2rok n SER 521 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49