#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 -0.09 1.61 0.02 -2.04 -1.32 113.55 111.73 2rok h SER 424 Ca 0.00 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 60.98 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 0.14 0.77 -1.14 0.00 0.00 176.83 176.60 2rok h SER 425 N 0.00 0.00 0.00 3.07 4.64 -2.13 -3.45 113.55 115.68 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 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 2rok h SER 425 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 2rok n GLY 426 N -1.32 -0.47 3.41 -0.77 0.00 -0.56 -5.17 105.19 100.31 2rok n GLY 426 Ca -0.01 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.85 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 0.00 -0.48 0.00 1.61 0.15 -0.81 -5.01 113.70 109.15 2rok s SER 427 Ca 0.00 0.48 0.00 0.00 0.70 0.00 0.00 55.95 57.13 2rok s SER 427 Cb 0.00 0.46 0.00 0.00 -1.71 0.00 0.00 66.02 64.77 2rok s SER 427 CO 0.00 -0.54 0.48 -1.54 1.20 0.00 0.00 173.24 172.84 2rok n SER 428 N 1.07 0.97 0.00 5.45 3.41 -1.26 -1.05 113.62 122.20 2rok n SER 428 Ca -0.20 -0.98 0.00 0.00 -0.26 0.00 0.00 58.87 57.43 2rok n SER 428 Cb 0.57 0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.55 2rok n SER 428 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2rok n GLY 429 N 0.04 1.92 0.00 5.00 0.00 -1.26 -5.02 105.19 105.86 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 -0.06 0.31 0.00 -0.02 0.00 -1.26 -5.00 105.19 99.16 2rok n GLY 430 Ca 0.00 -1.15 0.12 0.00 0.00 0.00 0.00 46.02 44.99 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 -0.76 0.00 -0.85 1.61 -0.04 -1.26 -4.90 135.00 128.80 2rok n PRO 431 Ca 0.00 0.07 -0.28 0.00 -0.04 0.00 0.00 63.50 63.24 2rok n PRO 431 Cb 0.00 -1.50 0.22 0.00 -0.04 0.00 0.00 33.50 32.18 2rok n PRO 431 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 2rok s ASP 432 N -3.00 1.75 -0.14 3.54 -4.77 -1.26 -5.03 116.67 107.77 2rok s ASP 432 Ca 0.12 1.36 0.15 0.00 -3.30 0.00 0.00 52.55 50.87 2rok s ASP 432 Cb 0.16 -2.08 0.34 0.00 -1.09 0.00 0.00 42.92 40.25 2rok s ASP 432 CO 0.46 -3.70 1.17 0.18 0.70 0.00 0.00 175.17 173.98 2rok n LEU 433 N -4.57 2.17 -4.68 2.11 4.77 -1.26 -5.08 117.00 110.45 2rok n LEU 433 Ca 0.04 -3.16 -0.32 0.00 -0.03 0.00 0.00 56.01 52.54 2rok n LEU 433 Cb 0.56 -0.39 0.15 0.00 -2.33 0.00 0.00 43.42 41.40 2rok n LEU 433 CO 0.57 0.96 0.72 -1.10 -1.33 0.00 0.00 177.39 177.21 2rok s GLN 434 N -2.49 1.28 0.85 3.23 -0.21 -1.26 -5.00 119.66 116.05 2rok s GLN 434 Ca 0.32 1.63 -0.14 0.00 0.02 0.00 0.00 55.36 57.19 2rok s GLN 434 Cb 0.31 -1.75 -0.01 0.00 1.00 0.00 0.00 33.01 32.56 2rok s GLN 434 CO -0.04 -2.46 0.42 -2.30 -2.12 0.00 0.00 175.29 168.79 2rok n PRO 435 N -3.85 -0.01 -0.32 2.91 -0.02 -1.26 -5.00 135.00 127.46 2rok n PRO 435 Ca 0.12 0.04 0.04 0.00 -2.02 0.00 0.00 63.50 61.69 2rok n PRO 435 Cb 0.51 -1.81 0.06 0.00 -0.02 0.00 0.00 33.50 32.24 2rok n PRO 435 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 2rok n LYS 436 N -1.10 0.55 -0.19 -0.52 2.85 -1.26 -4.79 118.16 113.71 2rok n LYS 436 Ca 0.08 -1.69 0.03 0.00 -1.05 0.00 0.00 58.31 55.68 2rok n LYS 436 Cb 0.52 -0.93 0.04 0.00 -0.65 0.00 0.00 35.03 34.01 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 -0.62 0.92 0.29 -1.58 5.12 -1.26 -4.85 116.66 114.68 2rok n ARG 437 Ca 0.07 -1.47 0.20 0.00 -1.93 0.00 0.00 57.85 54.72 2rok n ARG 437 Cb 0.67 -0.89 1.00 0.00 -1.16 0.00 0.00 32.46 32.09 2rok n ARG 437 CO 0.00 0.00 0.00 0.22 -1.93 0.00 0.00 177.63 175.92 2rok h ASP 438 N 0.00 0.00 -0.60 0.55 3.58 -2.02 -1.23 116.42 116.70 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 1.04 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.09 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 -2.93 1.07 -5.04 0.28 1.44 -1.26 -4.64 115.22 104.14 2rok n HIS 439 Ca -0.02 -0.47 -0.30 0.00 -2.01 0.00 0.00 57.72 54.92 2rok n HIS 439 Cb 0.12 -0.11 -0.15 0.00 0.12 0.00 0.00 29.99 29.97 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 -1.47 2.05 0.32 0.61 1.01 -0.46 -1.70 120.40 120.75 2rok s VAL 440 Ca 0.43 -1.25 0.09 0.00 0.00 0.00 0.00 61.98 61.26 2rok s VAL 440 Cb 0.25 -1.73 -0.05 0.00 0.00 0.00 0.00 36.38 34.86 2rok s VAL 440 CO 0.25 0.44 0.06 -0.76 0.00 0.00 0.00 175.10 175.09 2rok s LEU 441 N -0.96 3.16 -0.03 3.92 1.43 0.22 -1.56 118.68 124.86 2rok s LEU 441 Ca 0.11 -0.80 0.06 0.00 -1.03 0.00 0.00 54.13 52.47 2rok s LEU 441 Cb -0.10 -1.62 -0.01 0.00 0.03 0.00 0.00 46.19 44.49 2rok s LEU 441 CO 0.01 -0.19 -0.22 -2.28 0.23 0.00 0.00 176.35 173.90 2rok s HIS 442 N -2.42 2.01 -0.02 0.29 5.65 0.30 -1.09 115.29 120.01 2rok s HIS 442 Ca 0.35 -0.44 0.02 0.00 0.25 0.00 0.00 55.06 55.25 2rok s HIS 442 Cb -0.03 -1.30 -0.00 0.00 -1.18 0.00 0.00 32.58 30.07 2rok s HIS 442 CO 0.21 -0.08 -0.08 0.08 -0.65 0.00 0.00 174.74 174.22 2rok s VAL 443 N -0.39 0.71 -0.04 0.89 1.01 -0.12 -1.21 120.40 121.24 2rok s VAL 443 Ca 0.05 -0.35 0.04 0.00 0.00 0.00 0.00 61.98 61.72 2rok s VAL 443 Cb -0.10 -0.62 -0.00 0.00 0.00 0.00 0.00 36.38 35.67 2rok s VAL 443 CO 0.00 0.21 -0.15 -0.89 0.00 0.00 0.00 175.10 174.27 2rok s THR 444 N 0.02 1.29 0.12 3.92 2.01 -0.34 -1.97 115.64 120.69 2rok s THR 444 Ca -0.00 -0.64 -0.22 0.00 0.31 0.00 0.00 61.69 61.14 2rok s THR 444 Cb -0.06 -1.11 0.06 0.00 0.01 0.00 0.00 72.50 71.40 2rok s THR 444 CO -0.00 0.38 0.55 0.72 -0.69 0.00 0.00 174.62 175.58 2rok s PHE 445 N 0.06 -0.46 0.55 4.92 -0.12 -0.42 -1.18 117.98 121.33 2rok s PHE 445 Ca -0.03 0.30 -0.20 0.00 -0.05 0.00 0.00 56.93 56.95 2rok s PHE 445 Cb -0.11 0.45 -0.07 0.00 -0.63 0.00 0.00 43.02 42.67 2rok s PHE 445 CO 0.02 -0.77 0.90 -2.30 -0.05 0.00 0.00 175.22 173.01 2rok n PRO 446 N -0.15 0.95 0.21 1.99 -0.02 -1.26 -4.51 135.00 132.21 2rok n PRO 446 Ca -0.17 0.36 0.13 0.00 -2.02 0.00 0.00 63.50 61.80 2rok n PRO 446 Cb 0.64 -2.05 0.71 0.00 -0.02 0.00 0.00 33.50 32.78 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 0.72 0.00 0.00 -0.52 2.10 -1.92 -1.84 116.57 115.11 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 1.36 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.69 2rok h LYS 447 CO 0.52 0.00 -0.17 0.39 -2.00 0.00 0.00 179.45 178.18 2rok n GLU 448 N -2.44 0.26 -1.88 0.07 1.02 -1.26 -4.90 120.64 111.51 2rok n GLU 448 Ca -0.02 0.18 -0.37 0.00 -0.02 0.00 0.00 57.16 56.93 2rok n GLU 448 Cb 0.09 -1.77 0.04 0.00 -0.02 0.00 0.00 31.44 29.78 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 -3.12 2.29 0.25 -0.32 0.52 -0.69 -5.06 118.94 112.82 2rok s TRP 449 Ca 0.10 1.47 0.04 0.00 0.02 0.00 0.00 56.10 57.72 2rok s TRP 449 Cb 0.13 -3.64 -0.05 0.00 -1.15 0.00 0.00 33.47 28.76 2rok s TRP 449 CO 0.63 -2.60 -0.01 0.15 0.02 0.00 0.00 176.95 175.15 2rok s LYS 450 N -3.18 1.42 0.40 4.98 1.02 -1.26 -5.03 119.74 118.08 2rok s LYS 450 Ca 0.77 -1.72 0.17 0.00 0.02 0.00 0.00 55.97 55.20 2rok s LYS 450 Cb -0.35 -0.75 1.06 0.00 -0.52 0.00 0.00 37.83 37.26 2rok s LYS 450 CO 0.39 -0.08 1.81 1.15 -0.92 0.00 0.00 175.35 177.70 2rok h THR 451 N 2.39 0.61 -0.54 2.17 2.02 -1.99 -1.31 112.91 116.27 2rok h THR 451 Ca -0.39 -0.15 -0.08 0.00 0.77 0.00 0.00 66.41 66.56 2rok h THR 451 Cb 1.23 0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 67.75 2rok h THR 451 CO 0.66 0.08 0.03 0.28 0.37 0.00 0.00 175.52 176.93 2rok h SER 452 N 0.44 0.91 0.09 4.18 0.02 -1.99 -0.15 113.55 117.04 2rok h SER 452 Ca 0.54 -0.29 -0.05 0.00 -0.84 0.00 0.00 61.79 61.14 2rok h SER 452 Cb 1.31 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.60 2rok h SER 452 CO -0.25 0.98 -0.18 0.44 -1.14 0.00 0.00 176.83 176.68 2rok h ASP 453 N 0.81 0.17 -0.08 3.07 3.32 -1.67 -1.04 116.42 121.01 2rok h ASP 453 Ca 0.16 -0.04 -0.08 0.00 0.02 0.00 0.00 57.03 57.09 2rok h ASP 453 Cb 0.49 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.00 2rok h ASP 453 CO 0.02 0.37 -0.26 -0.07 -1.72 0.00 0.00 179.24 177.59 2rok h LEU 454 N 0.17 0.36 -1.17 1.55 3.38 -1.06 -0.72 115.31 117.83 2rok h LEU 454 Ca 0.03 -0.62 0.04 0.00 0.09 0.00 0.00 57.88 57.43 2rok h LEU 454 Cb 0.42 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.02 2rok h LEU 454 CO 0.03 0.91 0.57 1.88 0.09 0.00 0.00 178.44 181.92 2rok h TYR 455 N -0.17 1.03 -0.54 1.13 0.05 -0.94 -1.77 116.97 115.76 2rok h TYR 455 Ca -0.01 0.03 -0.11 0.00 0.05 0.00 0.00 58.73 58.68 2rok h TYR 455 Cb 0.88 -0.34 -0.02 0.00 1.01 0.00 0.00 36.73 38.26 2rok h TYR 455 CO 0.12 0.59 -0.11 0.37 -1.05 0.00 0.00 178.16 178.08 2rok h GLN 456 N 1.06 1.02 -0.38 4.88 5.75 -1.13 -1.72 115.11 124.59 2rok h GLN 456 Ca 0.35 -0.38 -0.05 0.00 -0.15 0.00 0.00 58.65 58.42 2rok h GLN 456 Cb 0.06 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 28.53 2rok h GLN 456 CO -0.11 1.07 0.04 1.25 -2.65 0.00 0.00 178.83 178.43 2rok h LEU 457 N 0.91 0.63 -1.92 -2.39 5.85 -0.78 -3.22 115.31 114.39 2rok h LEU 457 Ca 0.14 -0.28 0.00 0.00 0.84 0.00 0.00 57.88 58.58 2rok h LEU 457 Cb 0.68 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.54 2rok h LEU 457 CO 0.05 0.75 0.00 0.49 -0.34 0.00 0.00 178.44 179.39 2rok n PHE 458 N -4.51 0.53 0.13 1.25 3.72 -0.70 -4.31 117.46 113.57 2rok n PHE 458 Ca -0.01 -0.26 0.19 0.00 -0.05 0.00 0.00 57.45 57.31 2rok n PHE 458 Cb 0.25 0.00 0.77 0.00 -0.94 0.00 0.00 39.48 39.56 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 3.44 0.00 0.06 4.37 0.87 -1.32 -1.75 113.55 119.22 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 0.77 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.73 2rok h SER 459 CO 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 176.83 176.30 2rok n ALA 460 N -2.40 1.08 -0.13 6.23 0.00 -1.26 -2.87 120.51 121.15 2rok n ALA 460 Ca 0.05 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.51 2rok n ALA 460 Cb 0.47 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.86 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 -1.59 0.00 -3.84 0.00 3.72 -0.66 -5.13 117.46 109.97 2rok n PHE 461 Ca 0.00 -0.35 0.00 0.00 -0.05 0.00 0.00 57.45 57.05 2rok n PHE 461 Cb 0.02 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 38.53 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 -0.35 -0.08 3.76 1.37 0.00 -1.14 -4.82 105.19 103.94 2rok n GLY 462 Ca 0.00 -1.07 -0.39 0.00 0.00 0.00 0.00 46.02 44.56 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 5.90 0.30 1.61 2.47 -1.26 -4.68 114.94 115.28 2rok s ASN 463 Ca 0.00 2.73 -0.01 0.00 0.42 0.00 0.00 52.86 56.00 2rok s ASN 463 Cb 0.00 -2.64 -0.02 0.00 -1.45 0.00 0.00 41.25 37.15 2rok s ASN 463 CO 0.00 -1.14 0.36 0.27 -3.72 0.00 0.00 177.10 172.87 2rok s ILE 464 N -1.28 0.00 0.04 -5.21 -4.36 -1.26 -4.64 121.20 104.49 2rok s ILE 464 Ca 0.63 -1.75 0.02 0.00 -0.26 0.00 0.00 60.65 59.28 2rok s ILE 464 Cb -0.39 -2.52 -0.02 0.00 1.25 0.00 0.00 42.46 40.77 2rok s ILE 464 CO 0.49 0.00 -0.08 -1.10 0.24 0.00 0.00 174.94 174.50 2rok s GLN 465 N -3.51 0.53 -0.03 0.37 -1.52 -1.17 -5.00 119.66 109.33 2rok s GLN 465 Ca 0.34 -0.77 0.02 0.00 -1.95 0.00 0.00 55.36 52.99 2rok s GLN 465 Cb 0.02 -0.27 0.01 0.00 -0.22 0.00 0.00 33.01 32.55 2rok s GLN 465 CO 0.19 0.04 -0.07 0.42 -0.25 0.00 0.00 175.29 175.63 2rok s ILE 466 N -1.46 0.63 -0.29 1.08 1.01 -1.26 -0.91 121.20 120.00 2rok s ILE 466 Ca -0.09 -0.24 -0.03 0.00 0.00 0.00 0.00 60.65 60.29 2rok s ILE 466 Cb -0.09 -0.60 0.10 0.00 0.01 0.00 0.00 42.46 41.87 2rok s ILE 466 CO 0.00 0.22 0.11 -0.44 0.00 0.00 0.00 174.94 174.83 2rok s SER 467 N 0.48 3.73 0.68 3.58 0.01 -0.31 -5.02 113.70 116.85 2rok s SER 467 Ca -0.07 -1.42 -0.17 0.00 1.31 0.00 0.00 55.95 55.60 2rok s SER 467 Cb -0.11 -0.59 0.01 0.00 0.21 0.00 0.00 66.02 65.54 2rok s SER 467 CO 0.00 -0.42 1.27 0.79 0.41 0.00 0.00 173.24 175.29 2rok n TRP 468 N 5.06 1.79 0.00 2.43 7.02 -1.26 -0.73 117.44 131.75 2rok n TRP 468 Ca -0.04 0.42 0.00 0.00 -1.02 0.00 0.00 57.50 56.85 2rok n TRP 468 Cb 0.42 -2.24 0.00 0.00 -2.42 0.00 0.00 31.31 27.08 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 -2.16 0.00 -3.93 -0.99 -5.35 -1.07 -4.84 119.36 101.01 2rok n ILE 469 Ca 0.15 0.00 -0.12 0.00 -0.27 0.00 0.00 62.75 62.51 2rok n ILE 469 Cb 0.48 0.12 -0.01 0.00 -1.74 0.00 0.00 39.64 38.49 2rok n ILE 469 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 2rok n ASP 470 N -0.37 -1.57 0.26 7.28 -0.08 -0.80 -4.99 116.55 116.28 2rok n ASP 470 Ca 0.00 -2.69 0.12 0.00 -1.51 0.00 0.00 54.79 50.71 2rok n ASP 470 Cb 0.00 2.79 0.70 0.00 2.34 0.00 0.00 41.12 46.95 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 1.86 0.00 0.00 1.67 3.32 -1.98 -3.32 116.42 117.96 2rok h ASP 471 Ca -0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.77 2rok h ASP 471 Cb 1.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.68 2rok h ASP 471 CO 0.36 0.12 0.00 0.35 -1.72 0.00 0.00 179.24 178.36 2rok n THR 472 N -3.76 0.30 -3.62 0.35 -2.24 -1.26 -4.40 114.28 99.65 2rok n THR 472 Ca -0.02 -0.52 -0.13 0.00 -2.27 0.00 0.00 64.05 61.12 2rok n THR 472 Cb 0.23 1.00 -0.05 0.00 -2.10 0.00 0.00 70.33 69.41 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 -0.30 -0.33 0.13 3.42 1.04 -1.25 -1.30 113.70 115.10 2rok s SER 473 Ca 0.00 -0.02 -0.16 0.00 0.48 0.00 0.00 55.95 56.25 2rok s SER 473 Cb 0.00 0.46 0.04 0.00 0.10 0.00 0.00 66.02 66.62 2rok s SER 473 CO 0.00 -0.74 0.41 0.00 0.98 0.00 0.00 173.24 173.89 2rok s ALA 474 N -2.82 -0.94 0.25 5.32 0.00 -0.83 -1.90 121.76 120.83 2rok s ALA 474 Ca -0.03 -0.05 -0.09 0.00 0.00 0.00 0.00 51.96 51.79 2rok s ALA 474 Cb -0.00 0.70 -0.07 0.00 0.00 0.00 0.00 23.12 23.75 2rok s ALA 474 CO -0.05 -0.65 0.56 -0.06 0.00 0.00 0.00 175.76 175.56 2rok s PHE 475 N -3.81 3.43 -0.03 0.00 0.08 0.10 -0.94 117.98 116.81 2rok s PHE 475 Ca 0.03 0.84 -0.00 0.00 0.12 0.00 0.00 56.93 57.92 2rok s PHE 475 Cb 0.02 -2.24 0.03 0.00 -0.57 0.00 0.00 43.02 40.25 2rok s PHE 475 CO -0.12 0.24 0.02 0.08 -0.10 0.00 0.00 175.22 175.34 2rok s VAL 476 N -1.89 0.07 -0.07 -0.44 1.01 -0.25 -1.16 120.40 117.68 2rok s VAL 476 Ca 0.47 0.21 -0.13 0.00 0.00 0.00 0.00 61.98 62.53 2rok s VAL 476 Cb -0.11 -0.22 -0.05 0.00 0.00 0.00 0.00 36.38 36.00 2rok s VAL 476 CO 0.23 0.15 0.33 -0.55 0.00 0.00 0.00 175.10 175.26 2rok s SER 477 N 1.40 6.63 0.23 3.32 0.15 -0.09 -0.61 113.70 124.74 2rok s SER 477 Ca -0.05 0.75 0.10 0.00 0.70 0.00 0.00 55.95 57.46 2rok s SER 477 Cb -0.13 -2.20 -0.05 0.00 -1.71 0.00 0.00 66.02 61.93 2rok s SER 477 CO -0.03 0.28 -0.19 -0.76 1.20 0.00 0.00 173.24 173.75 2rok s LEU 478 N -0.65 2.54 0.00 3.45 1.43 -0.69 -3.02 118.68 121.74 2rok s LEU 478 Ca 0.20 -0.99 0.29 0.00 -1.03 0.00 0.00 54.13 52.60 2rok s LEU 478 Cb -0.15 -0.95 1.20 0.00 0.03 0.00 0.00 46.19 46.32 2rok s LEU 478 CO 0.09 -0.02 1.90 -1.54 0.23 0.00 0.00 176.35 177.01 2rok n SER 479 N -0.34 0.03 -3.85 2.29 3.41 -1.26 -4.77 113.62 109.13 2rok n SER 479 Ca -0.08 0.43 -0.11 0.00 -0.26 0.00 0.00 58.87 58.85 2rok n SER 479 Cb 0.59 -0.44 -0.09 0.00 -0.26 0.00 0.00 64.21 64.01 2rok n SER 479 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2rok s GLN 480 N -2.99 0.56 0.51 4.33 -0.21 -1.26 -5.05 119.66 115.55 2rok s GLN 480 Ca 0.14 -0.43 0.32 0.00 0.02 0.00 0.00 55.36 55.41 2rok s GLN 480 Cb 0.19 0.23 1.20 0.00 1.00 0.00 0.00 33.01 35.64 2rok s GLN 480 CO 0.54 -0.14 1.92 -1.00 -2.12 0.00 0.00 175.29 174.48 2rok h PRO 481 N 4.03 0.00 -0.66 2.91 0.13 -1.88 -2.87 132.00 133.65 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 1.19 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.29 2rok h PRO 481 CO 0.42 0.00 0.11 1.49 -0.23 0.00 0.00 178.00 179.80 2rok h GLU 482 N 0.00 1.10 -0.63 0.86 4.81 -1.96 -1.59 114.58 117.16 2rok h GLU 482 Ca 0.00 -0.29 -0.07 0.00 -0.13 0.00 0.00 59.36 58.86 2rok h GLU 482 Cb 0.56 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.79 2rok h GLU 482 CO 0.00 1.00 0.10 1.96 -0.73 0.00 0.00 179.01 181.34 2rok h GLN 483 N 1.02 1.03 -0.10 1.92 4.20 -1.93 -1.27 115.11 119.97 2rok h GLN 483 Ca 0.20 -0.26 0.03 0.00 0.06 0.00 0.00 58.65 58.68 2rok h GLN 483 Cb 0.43 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 28.06 2rok h GLN 483 CO 0.01 0.95 -0.07 0.28 -0.67 0.00 0.00 178.83 179.33 2rok h VAL 484 N 0.97 0.78 -0.81 -0.54 2.07 -1.42 -1.06 116.25 116.24 2rok h VAL 484 Ca 0.19 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.72 2rok h VAL 484 Cb 0.42 0.78 -0.04 0.00 -1.52 0.00 0.00 31.29 30.93 2rok h VAL 484 CO 0.01 0.00 0.51 -0.61 0.02 0.00 0.00 177.57 177.50 2rok h GLN 485 N -0.08 1.09 -0.24 1.57 4.15 -0.97 -1.07 115.11 119.56 2rok h GLN 485 Ca 0.06 -0.08 -0.01 0.00 0.77 0.00 0.00 58.65 59.39 2rok h GLN 485 Cb 0.17 -0.24 -0.01 0.00 0.21 0.00 0.00 27.48 27.62 2rok h GLN 485 CO -0.15 0.75 0.11 0.82 -1.93 0.00 0.00 178.83 178.43 2rok h ILE 486 N 1.11 1.15 -0.79 2.39 2.04 -1.09 -1.17 117.51 121.15 2rok h ILE 486 Ca 0.29 -0.44 -0.03 0.00 1.00 0.00 0.00 64.86 65.68 2rok h ILE 486 Cb -0.08 0.99 -0.04 0.00 -0.74 0.00 0.00 36.82 36.95 2rok h ILE 486 CO -0.06 0.15 0.37 0.00 0.00 0.00 0.00 178.15 178.61 2rok h ALA 487 N 0.97 1.02 -0.23 1.87 0.00 -0.90 -0.49 119.26 121.50 2rok h ALA 487 Ca 0.08 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 2rok h ALA 487 Cb 0.14 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2rok h ALA 487 CO -0.01 0.59 -0.24 0.28 0.00 0.00 0.00 179.25 179.87 2rok h VAL 488 N 1.12 1.26 -0.13 0.00 2.07 -1.13 -1.82 116.25 117.62 2rok h VAL 488 Ca 0.27 -1.22 -0.06 0.00 0.82 0.00 0.00 66.70 66.51 2rok h VAL 488 Cb 0.14 1.35 -0.00 0.00 -1.52 0.00 0.00 31.29 31.26 2rok h VAL 488 CO -0.03 0.38 -0.16 -1.13 0.02 0.00 0.00 177.57 176.65 2rok h ASN 489 N 0.38 0.36 1.02 0.57 -1.24 -0.86 -3.34 115.58 112.47 2rok h ASN 489 Ca 0.06 -0.50 -0.08 0.00 0.71 0.00 0.00 56.30 56.49 2rok h ASN 489 Cb 0.63 -0.10 -0.01 0.00 0.73 0.00 0.00 38.32 39.57 2rok h ASN 489 CO 0.05 0.79 -0.36 0.71 -1.29 0.00 0.00 177.43 177.33 2rok h THR 490 N -0.06 0.78 0.00 -3.57 1.35 -1.02 -3.20 112.91 107.19 2rok h THR 490 Ca 0.02 -1.57 0.00 0.00 -0.55 0.00 0.00 66.41 64.31 2rok h THR 490 Cb 0.70 2.00 0.00 0.00 -1.73 0.00 0.00 68.15 69.12 2rok h THR 490 CO 0.04 0.35 0.00 0.77 -0.25 0.00 0.00 175.52 176.43 2rok h SER 491 N 0.00 0.00 -0.06 5.36 4.64 -1.46 -2.91 113.55 119.13 2rok h SER 491 Ca -0.00 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.33 2rok h SER 491 Cb 0.97 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.06 2rok h SER 491 CO 0.05 0.00 0.14 0.11 -0.87 0.00 0.00 176.83 176.26 2rok h LYS 492 N 0.00 0.00 -0.01 4.77 1.57 -1.73 -1.90 116.57 119.27 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 0.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.63 2rok h LYS 492 CO 0.00 0.00 -0.52 0.66 -0.57 0.00 0.00 179.45 179.02 2rok n TYR 493 N -3.35 0.00 -2.64 -1.35 4.01 -1.10 -4.98 117.16 107.75 2rok n TYR 493 Ca -0.01 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.36 2rok n TYR 493 Cb 0.23 -0.02 -0.05 0.00 -0.31 0.00 0.00 39.34 39.19 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 -2.56 3.14 0.00 -0.72 0.00 -0.71 -4.99 121.76 115.91 2rok s ALA 494 Ca 0.18 0.63 0.00 0.00 0.00 0.00 0.00 51.96 52.76 2rok s ALA 494 Cb 0.18 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 20.06 2rok s ALA 494 CO 0.61 -0.05 0.28 -0.85 0.00 0.00 0.00 175.76 175.74 2rok n GLU 495 N 0.15 -0.42 0.00 0.00 0.28 -1.26 -4.75 120.64 114.64 2rok n GLU 495 Ca 0.04 -0.29 0.00 0.00 -0.16 0.00 0.00 57.16 56.75 2rok n GLU 495 Cb 0.50 -0.76 0.00 0.00 1.43 0.00 0.00 31.44 32.61 2rok n GLU 495 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 2rok n SER 496 N -0.01 0.73 -3.68 -1.84 7.64 -1.26 -5.08 113.62 110.11 2rok n SER 496 Ca 0.00 -1.06 -0.07 0.00 1.01 0.00 0.00 58.87 58.76 2rok n SER 496 Cb 0.13 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.32 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 -0.06 -0.12 0.05 1.43 1.13 -1.26 -4.34 117.35 114.17 2rok s TYR 497 Ca 0.00 -0.35 -0.12 0.00 -1.41 0.00 0.00 57.07 55.20 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 -1.22 0.26 0.50 -2.51 0.00 0.00 175.55 172.58 2rok s ARG 498 N -3.52 0.77 0.00 -3.49 6.06 -0.32 -4.71 118.95 113.73 2rok s ARG 498 Ca 0.12 -0.57 0.02 0.00 -2.50 0.00 0.00 55.73 52.80 2rok s ARG 498 Cb -0.05 0.33 -0.01 0.00 0.06 0.00 0.00 34.95 35.28 2rok s ARG 498 CO 0.07 -0.24 -0.07 0.42 -2.50 0.00 0.00 175.30 172.98 2rok s ILE 499 N -2.63 0.57 0.21 4.11 1.01 -1.26 -1.20 121.20 122.00 2rok s ILE 499 Ca -0.04 -0.43 -0.07 0.00 0.00 0.00 0.00 60.65 60.10 2rok s ILE 499 Cb -0.01 -0.50 -0.02 0.00 0.01 0.00 0.00 42.46 41.94 2rok s ILE 499 CO -0.04 0.08 0.29 0.00 0.00 0.00 0.00 174.94 175.26 2rok s GLN 500 N -0.39 1.30 0.82 2.79 -2.07 -0.35 -4.79 119.66 116.96 2rok s GLN 500 Ca 0.01 -1.38 -0.11 0.00 -1.82 0.00 0.00 55.36 52.06 2rok s GLN 500 Cb -0.04 0.36 0.08 0.00 -1.09 0.00 0.00 33.01 32.33 2rok s GLN 500 CO -0.00 -0.48 1.09 0.95 -1.32 0.00 0.00 175.29 175.53 2rok s THR 501 N -4.06 3.10 0.25 3.63 -4.23 -1.26 -0.54 115.64 112.53 2rok s THR 501 Ca 0.27 0.36 -0.04 0.00 -1.18 0.00 0.00 61.69 61.10 2rok s THR 501 Cb 0.03 -2.93 0.25 0.00 1.34 0.00 0.00 72.50 71.19 2rok s THR 501 CO 0.08 -0.47 1.87 0.22 -0.54 0.00 0.00 174.62 175.78 2rok h TYR 502 N -1.23 1.11 -0.46 3.99 5.03 -1.53 -2.20 116.97 121.68 2rok h TYR 502 Ca -0.47 0.03 -0.07 0.00 2.58 0.00 0.00 58.73 60.80 2rok h TYR 502 Cb 1.26 -0.36 -0.02 0.00 1.55 0.00 0.00 36.73 39.16 2rok h TYR 502 CO 0.50 0.57 -0.01 0.00 -1.32 0.00 0.00 178.16 177.89 2rok h ALA 503 N 1.43 1.12 -0.56 1.82 0.00 -1.86 -1.73 119.26 119.49 2rok h ALA 503 Ca 0.41 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 2rok h ALA 503 Cb 0.17 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2rok h ALA 503 CO -0.17 0.56 0.15 0.93 0.00 0.00 0.00 179.25 180.72 2rok h GLU 504 N 0.71 0.89 -0.38 0.00 5.08 -1.86 -0.61 114.58 118.41 2rok h GLU 504 Ca 0.14 -0.21 0.01 0.00 -1.00 0.00 0.00 59.36 58.31 2rok h GLU 504 Cb 0.45 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 2rok h GLU 504 CO 0.02 0.82 0.22 -0.92 -1.00 0.00 0.00 179.01 178.16 2rok h TYR 505 N 0.80 0.42 -0.56 4.33 3.20 -1.09 -2.10 116.97 121.97 2rok h TYR 505 Ca 0.18 0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.09 2rok h TYR 505 Cb 0.32 -0.13 -0.04 0.00 1.54 0.00 0.00 36.73 38.42 2rok h TYR 505 CO 0.02 0.25 0.34 0.28 -1.64 0.00 0.00 178.16 177.41 2rok h VAL 506 N 0.45 1.07 0.00 1.81 2.07 -1.25 -2.44 116.25 117.96 2rok h VAL 506 Ca 0.15 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.44 2rok h VAL 506 Cb -0.00 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 30.10 2rok h VAL 506 CO -0.06 0.12 0.00 0.61 0.02 0.00 0.00 177.57 178.26 2rok n GLY 507 N -1.25 -1.00 0.15 2.17 0.00 -0.24 -2.71 105.19 102.31 2rok n GLY 507 Ca 0.04 -0.06 0.01 0.00 0.00 0.00 0.00 46.02 46.02 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 2.43 0.03 1.61 5.02 -0.82 -4.82 118.16 120.16 2rok n LYS 508 Ca 0.05 -1.49 0.21 0.00 -2.02 0.00 0.00 58.31 55.06 2rok n LYS 508 Cb 0.17 -1.06 0.73 0.00 -0.02 0.00 0.00 35.03 34.85 2rok n LYS 508 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2rok h LYS 509 N 0.51 0.00 -2.35 1.97 3.64 -1.24 -2.92 116.57 116.19 2rok h LYS 509 Ca 0.00 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.31 2rok h LYS 509 Cb 0.49 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.28 2rok h LYS 509 CO 0.00 0.00 0.02 0.00 -2.27 0.00 0.00 179.45 177.20 2rok n GLN 510 N -4.02 0.92 -0.34 1.90 0.00 -1.26 -4.78 117.38 109.80 2rok n GLN 510 Ca 0.09 -0.39 0.19 0.00 0.00 0.00 0.00 57.00 56.89 2rok n GLN 510 Cb 0.64 -1.63 0.43 0.00 0.00 0.00 0.00 30.24 29.69 2rok n GLN 510 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.06 177.93 2rok h LYS 511 N 3.88 0.50 -6.25 2.61 1.57 -1.94 -3.46 116.57 113.49 2rok h LYS 511 Ca 0.07 -0.03 -0.46 0.00 -1.87 0.00 0.00 60.65 58.36 2rok h LYS 511 Cb 0.73 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.92 2rok h LYS 511 CO 0.26 0.33 -0.76 0.41 -0.57 0.00 0.00 179.45 179.12 2rok n GLY 512 N -1.38 -0.48 0.34 3.86 0.00 -1.26 -4.89 105.19 101.39 2rok n GLY 512 Ca 0.26 0.19 0.15 0.00 0.00 0.00 0.00 46.02 46.62 2rok n GLY 512 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2rok h LYS 513 N -2.11 0.62 -4.16 1.61 3.64 -1.90 -3.43 116.57 110.84 2rok h LYS 513 Ca -0.58 -0.04 -0.13 0.00 -1.27 0.00 0.00 60.65 58.63 2rok h LYS 513 Cb 1.37 -0.14 -0.16 0.00 -0.41 0.00 0.00 32.23 32.89 2rok h LYS 513 CO 0.65 0.41 -0.68 -0.65 -2.27 0.00 0.00 179.45 176.92 2rok s GLN 514 N -5.82 0.54 0.00 1.90 -0.21 -1.26 -5.09 119.66 109.72 2rok s GLN 514 Ca -0.11 -1.06 0.00 0.00 0.02 0.00 0.00 55.36 54.21 2rok s GLN 514 Cb 0.26 0.19 0.00 0.00 1.00 0.00 0.00 33.01 34.46 2rok s GLN 514 CO 0.80 -0.10 0.28 1.55 -2.12 0.00 0.00 175.29 175.70 2rok n VAL 515 N 0.48 0.06 -0.15 1.09 3.14 -1.26 -3.67 118.33 118.02 2rok n VAL 515 Ca -0.17 -0.24 0.09 0.00 -2.96 0.00 0.00 64.34 61.06 2rok n VAL 515 Cb 0.60 1.47 0.40 0.00 -1.06 0.00 0.00 33.84 35.24 2rok n VAL 515 CO 0.00 0.00 0.00 0.11 -6.46 0.00 0.00 176.83 170.48 2rok h LYS 516 N 0.00 0.61 0.00 1.45 1.79 -1.99 -3.39 116.57 115.04 2rok h LYS 516 Ca 0.00 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 2rok h LYS 516 Cb 0.37 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 30.88 2rok h LYS 516 CO 0.00 0.41 0.00 0.43 -1.08 0.00 0.00 179.45 179.21 2rok n SER 517 N -4.48 0.00 0.00 0.86 7.64 -1.26 -5.18 113.62 111.19 2rok n SER 517 Ca 0.11 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.99 2rok n SER 517 Cb 0.29 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.49 2rok n SER 517 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2rok n GLY 518 N 0.72 0.60 0.30 0.23 0.00 -1.26 -4.96 105.19 100.83 2rok n GLY 518 Ca 0.00 -1.36 0.19 0.00 0.00 0.00 0.00 46.02 44.85 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 0.00 1.61 0.13 -1.80 -1.78 132.00 130.16 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 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2rok h PRO 519 CO 0.00 0.01 0.00 0.43 -0.23 0.00 0.00 178.00 178.21 2rok n SER 520 N -3.12 0.00 0.00 1.44 7.64 -1.26 -3.56 113.62 114.76 2rok n SER 520 Ca -0.01 0.41 0.00 0.00 1.01 0.00 0.00 58.87 60.28 2rok n SER 520 Cb 0.21 -0.45 0.00 0.00 -1.01 0.00 0.00 64.21 62.96 2rok n SER 520 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2rok n SER 521 N -1.45 0.69 0.00 6.43 7.64 -0.68 -5.19 113.62 121.06 2rok n SER 521 Ca 0.03 -1.32 0.00 0.00 1.01 0.00 0.00 58.87 58.59 2rok n SER 521 Cb 0.11 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.31 2rok n SER 521 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64