#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rok s SER 424 N 0.00 2.77 0.00 1.61 1.04 -1.26 -5.04 113.70 112.82 2rok s SER 424 Ca 0.00 1.23 0.00 0.00 0.48 0.00 0.00 55.95 57.66 2rok s SER 424 Cb 0.00 -1.90 0.00 0.00 0.10 0.00 0.00 66.02 64.22 2rok s SER 424 CO 0.00 -3.05 0.40 -1.20 0.98 0.00 0.00 173.24 170.38 2rok n SER 425 N -4.12 0.55 -0.24 7.02 7.64 -1.26 -4.91 113.62 118.30 2rok n SER 425 Ca 0.05 -1.16 -0.00 0.00 1.01 0.00 0.00 58.87 58.77 2rok n SER 425 Cb 0.57 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.77 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 -0.08 -0.22 0.08 0.23 0.00 -1.26 -5.04 105.19 98.91 2rok n GLY 426 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 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 0.35 0.25 1.61 3.41 -1.26 -2.08 113.62 115.90 2rok n SER 427 Ca -0.00 0.62 0.11 0.00 -0.26 0.00 0.00 58.87 59.34 2rok n SER 427 Cb 0.12 -0.68 0.66 0.00 -0.26 0.00 0.00 64.21 64.05 2rok n SER 427 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2rok h SER 428 N 0.00 0.00 -0.77 4.04 4.64 -2.02 -3.47 113.55 115.97 2rok h SER 428 Ca 0.00 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 60.99 2rok h SER 428 Cb 0.15 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 62.11 2rok h SER 428 CO 0.00 0.14 -0.30 0.61 -0.87 0.00 0.00 176.83 176.41 2rok n GLY 429 N -0.75 1.57 2.66 -0.77 0.00 -0.88 -4.85 105.19 102.17 2rok n GLY 429 Ca -0.02 -0.06 -0.04 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.34 -1.85 0.23 -0.02 0.00 -1.26 -5.04 105.19 96.91 2rok n GLY 430 Ca -0.16 1.04 0.10 0.00 0.00 0.00 0.00 46.02 47.00 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 2.94 0.00 -6.84 1.61 0.13 -1.94 -3.43 132.00 124.47 2rok h PRO 431 Ca -0.26 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.37 2rok h PRO 431 Cb 1.22 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.38 2rok h PRO 431 CO -0.20 0.22 0.50 0.34 -0.23 0.00 0.00 178.00 178.63 2rok s ASP 432 N -6.24 7.08 0.00 1.44 2.15 -1.26 -4.98 116.67 114.86 2rok s ASP 432 Ca -0.01 2.34 0.00 0.00 0.43 0.00 0.00 52.55 55.31 2rok s ASP 432 Cb 0.11 -2.63 0.00 0.00 -0.30 0.00 0.00 42.92 40.11 2rok s ASP 432 CO 0.63 -0.28 0.42 0.18 -0.17 0.00 0.00 175.17 175.95 2rok n LEU 433 N 0.93 0.65 -4.74 -1.34 4.77 -1.26 -5.08 117.00 110.93 2rok n LEU 433 Ca -0.00 -0.65 -0.32 0.00 -0.03 0.00 0.00 56.01 55.01 2rok n LEU 433 Cb 0.45 0.00 0.10 0.00 -2.33 0.00 0.00 43.42 41.64 2rok n LEU 433 CO 0.54 0.16 0.71 -1.10 -1.33 0.00 0.00 177.39 176.37 2rok s GLN 434 N -0.18 2.03 0.42 3.23 -1.52 -1.26 -5.00 119.66 117.38 2rok s GLN 434 Ca 0.00 1.34 -0.24 0.00 -1.95 0.00 0.00 55.36 54.51 2rok s GLN 434 Cb 0.00 -1.86 -0.11 0.00 -0.22 0.00 0.00 33.01 30.82 2rok s GLN 434 CO 0.00 -1.84 0.90 -2.30 -0.25 0.00 0.00 175.29 171.81 2rok n PRO 435 N -3.47 1.14 0.09 2.91 -0.02 -1.26 -4.96 135.00 129.43 2rok n PRO 435 Ca 0.10 0.41 -0.23 0.00 -2.02 0.00 0.00 63.50 61.76 2rok n PRO 435 Cb 0.52 -1.91 -0.15 0.00 -0.02 0.00 0.00 33.50 31.94 2rok n PRO 435 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2rok h LYS 436 N 1.34 0.42 0.00 -0.52 1.57 -2.02 -3.44 116.57 113.92 2rok h LYS 436 Ca -0.43 -0.72 0.00 0.00 -1.87 0.00 0.00 60.65 57.63 2rok h LYS 436 Cb 1.35 0.27 0.00 0.00 0.08 0.00 0.00 32.23 33.93 2rok h LYS 436 CO 0.56 1.35 0.00 0.54 -0.57 0.00 0.00 179.45 181.32 2rok n ARG 437 N -3.78 1.27 0.24 3.15 5.12 -1.26 -4.91 116.66 116.49 2rok n ARG 437 Ca -0.20 0.00 0.16 0.00 -1.93 0.00 0.00 57.85 55.88 2rok n ARG 437 Cb 1.02 -0.11 0.75 0.00 -1.16 0.00 0.00 32.46 32.97 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 -0.67 0.55 3.58 -2.00 -1.78 116.42 116.10 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 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 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 -2.73 1.48 -5.21 0.28 1.44 -1.26 -4.57 115.22 104.64 2rok n HIS 439 Ca -0.00 -0.60 -0.31 0.00 -2.01 0.00 0.00 57.72 54.79 2rok n HIS 439 Cb 0.18 -0.23 -0.17 0.00 0.12 0.00 0.00 29.99 29.90 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 -1.79 2.00 0.36 0.61 1.01 -0.67 -1.22 120.40 120.70 2rok s VAL 440 Ca 0.52 -1.02 0.07 0.00 0.00 0.00 0.00 61.98 61.55 2rok s VAL 440 Cb 0.33 -1.71 -0.02 0.00 0.00 0.00 0.00 36.38 34.98 2rok s VAL 440 CO 0.26 0.55 0.39 -0.76 0.00 0.00 0.00 175.10 175.54 2rok s LEU 441 N 0.05 3.67 -0.02 3.92 1.43 0.08 -1.56 118.68 126.24 2rok s LEU 441 Ca -0.09 -0.45 0.06 0.00 -1.03 0.00 0.00 54.13 52.62 2rok s LEU 441 Cb -0.15 -2.39 -0.01 0.00 0.03 0.00 0.00 46.19 43.66 2rok s LEU 441 CO 0.06 -0.48 -0.19 -2.28 0.23 0.00 0.00 176.35 173.69 2rok s HIS 442 N -2.30 1.73 -0.01 0.29 5.65 0.38 -1.01 115.29 120.02 2rok s HIS 442 Ca 0.45 -0.37 0.02 0.00 0.25 0.00 0.00 55.06 55.40 2rok s HIS 442 Cb -0.07 -1.13 -0.00 0.00 -1.18 0.00 0.00 32.58 30.20 2rok s HIS 442 CO 0.29 -0.07 -0.05 0.08 -0.65 0.00 0.00 174.74 174.34 2rok s VAL 443 N -0.32 0.44 -0.07 0.89 1.01 0.04 -1.16 120.40 121.23 2rok s VAL 443 Ca 0.04 -0.22 0.03 0.00 0.00 0.00 0.00 61.98 61.84 2rok s VAL 443 Cb -0.09 -0.39 0.01 0.00 0.00 0.00 0.00 36.38 35.91 2rok s VAL 443 CO 0.00 0.14 -0.15 -0.89 0.00 0.00 0.00 175.10 174.19 2rok s THR 444 N 0.01 1.36 0.11 3.92 2.01 -0.40 -1.83 115.64 120.82 2rok s THR 444 Ca 0.00 -0.63 -0.13 0.00 0.31 0.00 0.00 61.69 61.25 2rok s THR 444 Cb -0.04 -1.21 0.02 0.00 0.01 0.00 0.00 72.50 71.28 2rok s THR 444 CO -0.00 0.40 0.31 0.72 -0.69 0.00 0.00 174.62 175.36 2rok s PHE 445 N 0.46 -0.02 0.83 4.92 -0.12 -0.33 -1.37 117.98 122.35 2rok s PHE 445 Ca -0.13 -0.35 -0.14 0.00 -0.05 0.00 0.00 56.93 56.26 2rok s PHE 445 Cb -0.15 0.11 0.02 0.00 -0.63 0.00 0.00 43.02 42.37 2rok s PHE 445 CO 0.04 -0.64 0.68 -2.30 -0.05 0.00 0.00 175.22 172.95 2rok n PRO 446 N -0.16 0.05 0.09 1.99 -0.02 -1.26 -4.51 135.00 131.18 2rok n PRO 446 Ca -0.15 0.07 0.05 0.00 -2.02 0.00 0.00 63.50 61.46 2rok n PRO 446 Cb 0.63 -2.01 0.29 0.00 -0.02 0.00 0.00 33.50 32.39 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 -1.82 0.07 0.00 -0.52 2.85 -1.26 -2.18 118.16 115.30 2rok n LYS 447 Ca 0.10 0.54 0.01 0.00 -1.05 0.00 0.00 58.31 57.92 2rok n LYS 447 Cb 0.51 -1.79 0.01 0.00 -0.65 0.00 0.00 35.03 33.11 2rok n LYS 447 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2rok n GLU 448 N -1.87 0.09 -1.66 -1.58 1.02 -1.26 -4.98 120.64 110.40 2rok n GLU 448 Ca -0.01 -0.60 -0.34 0.00 -0.02 0.00 0.00 57.16 56.20 2rok n GLU 448 Cb 0.08 -1.01 0.06 0.00 -0.02 0.00 0.00 31.44 30.55 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 -0.34 2.39 0.26 -0.32 0.52 -0.93 -5.07 118.94 115.45 2rok s TRP 449 Ca 0.03 1.57 0.04 0.00 0.02 0.00 0.00 56.10 57.76 2rok s TRP 449 Cb 0.02 -3.30 -0.06 0.00 -1.15 0.00 0.00 33.47 28.99 2rok s TRP 449 CO 0.04 -2.05 0.00 0.15 0.02 0.00 0.00 176.95 175.11 2rok s LYS 450 N -3.96 1.45 0.47 4.98 -0.14 -1.26 -5.00 119.74 116.28 2rok s LYS 450 Ca 0.70 -1.75 0.29 0.00 -1.36 0.00 0.00 55.97 53.85 2rok s LYS 450 Cb -0.24 -0.76 1.36 0.00 -1.68 0.00 0.00 37.83 36.51 2rok s LYS 450 CO 0.42 -0.09 1.76 1.15 -0.76 0.00 0.00 175.35 177.82 2rok h THR 451 N 2.36 0.40 -0.17 2.17 2.02 -1.99 -1.35 112.91 116.35 2rok h THR 451 Ca -0.39 -0.06 -0.19 0.00 0.77 0.00 0.00 66.41 66.54 2rok h THR 451 Cb 1.23 0.21 0.01 0.00 -1.74 0.00 0.00 68.15 67.86 2rok h THR 451 CO 0.66 0.03 -0.65 0.77 0.37 0.00 0.00 175.52 176.70 2rok h SER 452 N 0.17 0.86 0.03 4.18 4.64 -1.98 0.14 113.55 121.59 2rok h SER 452 Ca 0.63 -0.61 -0.00 0.00 -0.47 0.00 0.00 61.79 61.34 2rok h SER 452 Cb 2.07 -0.25 -0.00 0.00 -0.31 0.00 0.00 62.40 63.91 2rok h SER 452 CO -0.18 1.33 -0.02 0.44 -0.87 0.00 0.00 176.83 177.53 2rok h ASP 453 N 0.45 0.00 0.06 4.97 3.32 -1.68 -0.26 116.42 123.29 2rok h ASP 453 Ca -0.03 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.90 2rok h ASP 453 Cb 1.28 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.84 2rok h ASP 453 CO 0.14 0.02 -0.50 -0.07 -1.72 0.00 0.00 179.24 177.11 2rok h LEU 454 N 0.00 0.34 -1.04 1.55 3.38 -1.04 -1.78 115.31 116.72 2rok h LEU 454 Ca -0.00 -0.89 0.05 0.00 0.09 0.00 0.00 57.88 57.13 2rok h LEU 454 Cb 0.04 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 40.62 2rok h LEU 454 CO 0.00 1.20 0.64 1.88 0.09 0.00 0.00 178.44 182.25 2rok h TYR 455 N -0.47 1.18 -0.33 1.13 0.05 -0.83 -2.09 116.97 115.62 2rok h TYR 455 Ca -0.08 0.03 -0.06 0.00 0.05 0.00 0.00 58.73 58.68 2rok h TYR 455 Cb 1.32 -0.39 -0.02 0.00 1.01 0.00 0.00 36.73 38.66 2rok h TYR 455 CO 0.20 0.65 -0.03 0.37 -1.05 0.00 0.00 178.16 178.30 2rok h GLN 456 N 1.20 0.52 0.00 4.88 4.15 -1.07 0.05 115.11 124.83 2rok h GLN 456 Ca 0.40 -0.12 -0.11 0.00 0.77 0.00 0.00 58.65 59.60 2rok h GLN 456 Cb 0.08 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 27.68 2rok h GLN 456 CO -0.14 0.57 -0.51 1.25 -1.93 0.00 0.00 178.83 178.07 2rok h LEU 457 N 0.49 0.00 -1.65 -2.39 5.85 -0.67 -3.37 115.31 113.58 2rok h LEU 457 Ca 0.10 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.82 2rok h LEU 457 Cb 0.37 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.40 2rok h LEU 457 CO 0.02 0.51 0.00 0.49 -0.34 0.00 0.00 178.44 179.12 2rok n PHE 458 N -3.77 0.00 0.23 1.25 3.72 -0.89 -4.74 117.46 113.27 2rok n PHE 458 Ca -0.01 -0.18 0.18 0.00 -0.05 0.00 0.00 57.45 57.39 2rok n PHE 458 Cb 0.55 -0.02 0.87 0.00 -0.94 0.00 0.00 39.48 39.94 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 0.00 0.00 0.00 4.37 4.64 -1.15 -2.03 113.55 119.39 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 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 2rok h SER 459 CO 0.00 0.00 0.07 0.00 -0.87 0.00 0.00 176.83 176.03 2rok h ALA 460 N 1.75 1.05 -0.20 5.18 0.00 -1.86 -2.51 119.26 122.67 2rok h ALA 460 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2rok h ALA 460 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2rok h ALA 460 CO -0.00 -0.05 0.00 1.19 0.00 0.00 0.00 179.25 180.39 2rok n PHE 461 N -2.25 0.25 0.00 0.00 3.72 -0.76 -5.02 117.46 113.39 2rok n PHE 461 Ca -0.01 -0.18 0.00 0.00 -0.05 0.00 0.00 57.45 57.21 2rok n PHE 461 Cb 0.10 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.64 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 0.96 1.49 3.28 1.37 0.00 -0.95 -4.65 105.19 106.70 2rok n GLY 462 Ca 0.12 -0.10 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.34 0.24 1.61 3.84 -1.26 -5.04 114.94 113.98 2rok s ASN 463 Ca 0.00 0.54 -0.05 0.00 0.21 0.00 0.00 52.86 53.57 2rok s ASN 463 Cb 0.00 0.62 -0.02 0.00 -0.55 0.00 0.00 41.25 41.29 2rok s ASN 463 CO 0.00 -0.27 0.29 0.27 -2.79 0.00 0.00 177.10 174.61 2rok s ILE 464 N -0.39 0.00 -0.23 -5.21 -4.36 -1.26 -3.46 121.20 106.30 2rok s ILE 464 Ca -0.05 -1.76 -0.04 0.00 -0.26 0.00 0.00 60.65 58.54 2rok s ILE 464 Cb -0.03 -2.41 0.08 0.00 1.25 0.00 0.00 42.46 41.34 2rok s ILE 464 CO 0.02 0.00 0.09 -1.58 0.24 0.00 0.00 174.94 173.72 2rok s GLN 465 N -3.96 0.27 0.18 0.37 2.00 -0.72 -4.98 119.66 112.82 2rok s GLN 465 Ca 0.33 -0.38 -0.30 0.00 -2.00 0.00 0.00 55.36 53.00 2rok s GLN 465 Cb 0.03 -1.66 -0.08 0.00 0.80 0.00 0.00 33.01 32.10 2rok s GLN 465 CO 0.13 -0.81 1.13 0.42 -0.50 0.00 0.00 175.29 175.66 2rok s ILE 466 N 2.03 3.75 -0.31 -2.34 1.01 -1.26 -1.20 121.20 122.87 2rok s ILE 466 Ca 0.05 1.51 -0.02 0.00 0.00 0.00 0.00 60.65 62.18 2rok s ILE 466 Cb -0.16 -3.96 0.11 0.00 0.01 0.00 0.00 42.46 38.46 2rok s ILE 466 CO -0.20 0.26 0.15 -0.44 0.00 0.00 0.00 174.94 174.71 2rok s SER 467 N -0.06 3.41 0.81 3.58 0.01 0.08 -5.00 113.70 116.54 2rok s SER 467 Ca 0.50 -1.63 -0.14 0.00 1.31 0.00 0.00 55.95 56.00 2rok s SER 467 Cb -0.31 -0.43 0.06 0.00 0.21 0.00 0.00 66.02 65.56 2rok s SER 467 CO 0.36 -0.39 1.05 0.79 0.41 0.00 0.00 173.24 175.46 2rok n TRP 468 N 4.81 0.79 0.00 2.43 7.02 -1.26 -0.73 117.44 130.50 2rok n TRP 468 Ca 0.00 0.39 0.00 0.00 -1.02 0.00 0.00 57.50 56.87 2rok n TRP 468 Cb 0.40 -2.06 0.00 0.00 -2.42 0.00 0.00 31.31 27.24 2rok n TRP 468 CO 0.00 0.00 0.00 -0.89 -2.02 0.00 0.00 177.69 174.78 2rok n ILE 469 N -3.20 0.00 -3.89 -0.99 5.41 -0.63 -4.76 119.36 111.29 2rok n ILE 469 Ca 0.13 0.00 -0.11 0.00 1.00 0.00 0.00 62.75 63.77 2rok n ILE 469 Cb 0.51 -0.28 0.01 0.00 -0.71 0.00 0.00 39.64 39.16 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 -3.59 0.34 0.66 4.38 2.15 -0.52 -4.98 116.67 115.12 2rok s ASP 470 Ca 0.00 -1.31 0.36 0.00 0.43 0.00 0.00 52.55 52.03 2rok s ASP 470 Cb 0.00 0.82 1.97 0.00 -0.30 0.00 0.00 42.92 45.41 2rok s ASP 470 CO 0.00 -1.62 2.12 -0.78 -0.17 0.00 0.00 175.17 174.72 2rok h ASP 471 N 2.02 0.00 0.00 -0.34 3.58 -1.98 -3.06 116.42 116.63 2rok h ASP 471 Ca -0.32 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.13 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 0.41 0.00 0.00 0.35 -2.88 0.00 0.00 179.24 177.12 2rok n THR 472 N -3.01 0.17 -3.81 2.25 -2.24 -1.26 -4.56 114.28 101.82 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 0.25 1.25 -0.13 0.00 -2.10 0.00 0.00 70.33 69.61 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 -0.17 -0.16 0.01 3.42 0.01 -1.16 -1.19 113.70 114.46 2rok s SER 473 Ca 0.00 0.32 -0.15 0.00 1.31 0.00 0.00 55.95 57.44 2rok s SER 473 Cb 0.00 0.32 0.02 0.00 0.21 0.00 0.00 66.02 66.57 2rok s SER 473 CO 0.00 -0.06 0.31 0.00 0.41 0.00 0.00 173.24 173.90 2rok s ALA 474 N 0.15 -0.76 0.29 1.44 0.00 -0.76 -1.44 121.76 120.68 2rok s ALA 474 Ca -0.01 0.21 -0.10 0.00 0.00 0.00 0.00 51.96 52.06 2rok s ALA 474 Cb -0.02 0.18 -0.07 0.00 0.00 0.00 0.00 23.12 23.21 2rok s ALA 474 CO -0.00 -0.32 0.62 -0.06 0.00 0.00 0.00 175.76 175.99 2rok s PHE 475 N -1.83 3.43 -0.16 0.00 0.08 0.10 -0.78 117.98 118.81 2rok s PHE 475 Ca -0.10 0.92 -0.05 0.00 0.12 0.00 0.00 56.93 57.82 2rok s PHE 475 Cb -0.03 -2.31 0.06 0.00 -0.57 0.00 0.00 43.02 40.17 2rok s PHE 475 CO 0.01 0.15 0.10 0.08 -0.10 0.00 0.00 175.22 175.47 2rok s VAL 476 N -1.99 -0.12 0.36 -0.44 1.01 -0.18 -0.74 120.40 118.31 2rok s VAL 476 Ca 0.49 -0.09 -0.26 0.00 0.00 0.00 0.00 61.98 62.12 2rok s VAL 476 Cb -0.11 -0.53 -0.09 0.00 0.00 0.00 0.00 36.38 35.65 2rok s VAL 476 CO 0.24 -0.22 1.09 -0.44 0.00 0.00 0.00 175.10 175.77 2rok s SER 477 N 2.16 6.86 0.34 3.32 0.01 -0.34 -0.74 113.70 125.30 2rok s SER 477 Ca 0.03 2.18 0.09 0.00 1.31 0.00 0.00 55.95 59.56 2rok s SER 477 Cb -0.16 -2.60 -0.06 0.00 0.21 0.00 0.00 66.02 63.41 2rok s SER 477 CO -0.09 -0.43 -0.07 -0.76 0.41 0.00 0.00 173.24 172.30 2rok s LEU 478 N -2.24 2.80 0.49 2.44 1.43 -0.36 -1.76 118.68 121.47 2rok s LEU 478 Ca 0.54 -1.13 0.18 0.00 -1.03 0.00 0.00 54.13 52.69 2rok s LEU 478 Cb -0.27 -1.11 1.19 0.00 0.03 0.00 0.00 46.19 46.03 2rok s LEU 478 CO 0.34 -0.20 2.06 0.28 0.23 0.00 0.00 176.35 179.06 2rok h SER 479 N 1.97 0.00 -5.04 2.29 0.02 -1.82 -3.45 113.55 107.52 2rok h SER 479 Ca -0.42 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.40 2rok h SER 479 Cb 1.25 0.00 -0.19 0.00 0.14 0.00 0.00 62.40 63.60 2rok h SER 479 CO 0.69 0.12 -0.50 -1.10 -1.14 0.00 0.00 176.83 174.90 2rok s GLN 480 N -4.67 0.55 0.36 3.45 -0.21 -1.26 -5.05 119.66 112.83 2rok s GLN 480 Ca -0.04 -0.60 0.27 0.00 0.02 0.00 0.00 55.36 55.02 2rok s GLN 480 Cb 0.16 0.22 1.09 0.00 1.00 0.00 0.00 33.01 35.48 2rok s GLN 480 CO 0.66 -0.14 1.81 -1.00 -2.12 0.00 0.00 175.29 174.50 2rok h PRO 481 N 3.91 0.00 -0.56 2.91 0.13 -1.87 -2.78 132.00 133.73 2rok h PRO 481 Ca -0.32 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.73 2rok h PRO 481 Cb 1.19 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 2rok h PRO 481 CO 0.46 0.00 0.03 1.49 -0.23 0.00 0.00 178.00 179.75 2rok h GLU 482 N 0.00 0.95 -0.06 0.86 4.81 -1.97 -3.13 114.58 116.04 2rok h GLU 482 Ca 0.00 -0.27 -0.08 0.00 -0.13 0.00 0.00 59.36 58.89 2rok h GLU 482 Cb 0.46 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 2rok h GLU 482 CO 0.00 0.92 -0.33 1.96 -0.73 0.00 0.00 179.01 180.83 2rok h GLN 483 N 0.88 0.11 -1.01 1.92 4.20 -1.91 -2.27 115.11 117.03 2rok h GLN 483 Ca 0.17 -0.04 0.05 0.00 0.06 0.00 0.00 58.65 58.88 2rok h GLN 483 Cb 0.47 -0.01 -0.06 0.00 0.30 0.00 0.00 27.48 28.19 2rok h GLN 483 CO 0.02 0.43 0.66 0.28 -0.67 0.00 0.00 178.83 179.55 2rok h VAL 484 N 0.10 1.15 -0.54 -0.54 2.07 -1.59 -1.42 116.25 115.48 2rok h VAL 484 Ca 0.01 -0.43 -0.09 0.00 0.82 0.00 0.00 66.70 67.02 2rok h VAL 484 Cb 0.64 -0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.18 2rok h VAL 484 CO 0.05 0.23 -0.01 1.56 0.02 0.00 0.00 177.57 179.42 2rok h GLN 485 N 1.25 0.92 -0.37 1.57 1.08 -1.44 -1.18 115.11 116.94 2rok h GLN 485 Ca 0.41 -0.27 -0.05 0.00 -1.45 0.00 0.00 58.65 57.29 2rok h GLN 485 Cb 0.05 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.37 2rok h GLN 485 CO -0.14 0.92 0.05 0.82 -0.95 0.00 0.00 178.83 179.54 2rok h ILE 486 N 0.85 1.24 -0.71 2.54 2.04 -1.35 -1.08 117.51 121.04 2rok h ILE 486 Ca 0.16 -0.86 -0.04 0.00 1.00 0.00 0.00 64.86 65.11 2rok h ILE 486 Cb 0.51 1.09 -0.03 0.00 -0.74 0.00 0.00 36.82 37.65 2rok h ILE 486 CO 0.03 0.29 0.29 0.00 0.00 0.00 0.00 178.15 178.75 2rok h ALA 487 N 0.91 0.93 -0.08 1.87 0.00 -1.08 -0.48 119.26 121.32 2rok h ALA 487 Ca 0.11 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 2rok h ALA 487 Cb 0.37 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2rok h ALA 487 CO 0.01 0.55 -0.34 0.28 0.00 0.00 0.00 179.25 179.75 2rok h VAL 488 N 1.02 1.27 -0.01 0.00 2.07 -1.14 -1.60 116.25 117.86 2rok h VAL 488 Ca 0.24 -1.29 -0.00 0.00 0.82 0.00 0.00 66.70 66.46 2rok h VAL 488 Cb 0.21 1.59 -0.00 0.00 -1.52 0.00 0.00 31.29 31.57 2rok h VAL 488 CO -0.02 0.38 -0.01 -1.13 0.02 0.00 0.00 177.57 176.81 2rok h ASN 489 N 0.14 0.03 0.88 0.57 -1.24 -0.89 -3.35 115.58 111.72 2rok h ASN 489 Ca 0.02 -0.47 -0.05 0.00 0.71 0.00 0.00 56.30 56.51 2rok h ASN 489 Cb 0.67 -0.01 -0.01 0.00 0.73 0.00 0.00 38.32 39.71 2rok h ASN 489 CO 0.05 0.49 -0.25 0.71 -1.29 0.00 0.00 177.43 177.14 2rok h THR 490 N -0.44 0.63 0.00 -3.57 1.35 -0.98 -3.06 112.91 106.84 2rok h THR 490 Ca 0.00 -1.18 0.00 0.00 -0.55 0.00 0.00 66.41 64.68 2rok h THR 490 Cb 0.48 1.78 0.00 0.00 -1.73 0.00 0.00 68.15 68.69 2rok h THR 490 CO 0.00 0.25 0.00 -1.54 -0.25 0.00 0.00 175.52 173.98 2rok n SER 491 N -3.44 0.58 0.21 5.36 3.41 -0.61 -2.33 113.62 116.80 2rok n SER 491 Ca -0.00 0.68 0.14 0.00 -0.26 0.00 0.00 58.87 59.43 2rok n SER 491 Cb 0.44 -0.79 0.75 0.00 -0.26 0.00 0.00 64.21 64.35 2rok n SER 491 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 2rok h LYS 492 N 0.00 0.00 -0.03 4.33 1.57 -1.72 -3.02 116.57 117.71 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 0.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.56 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 -2.47 0.05 -0.82 -1.35 4.01 -0.99 -5.04 117.16 110.56 2rok n TYR 493 Ca -0.02 -0.55 -0.30 0.00 -0.16 0.00 0.00 57.90 56.88 2rok n TYR 493 Cb 0.05 -0.06 0.18 0.00 -0.31 0.00 0.00 39.34 39.20 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 -1.18 0.92 0.00 -0.72 0.00 -1.14 -5.03 121.76 114.62 2rok s ALA 494 Ca 0.05 0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.18 2rok s ALA 494 Cb 0.04 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.85 2rok s ALA 494 CO 0.02 -2.94 0.00 -1.91 0.00 0.00 0.00 175.76 170.93 2rok n GLU 495 N -4.32 1.57 0.00 0.00 2.13 -1.26 -4.93 120.64 113.83 2rok n GLU 495 Ca 0.08 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.90 2rok n GLU 495 Cb 0.54 -0.59 0.00 0.00 0.27 0.00 0.00 31.44 31.66 2rok n GLU 495 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 2rok n SER 496 N -0.66 0.52 -3.41 4.31 7.64 -1.26 -5.10 113.62 115.66 2rok n SER 496 Ca 0.00 -1.19 -0.12 0.00 1.01 0.00 0.00 58.87 58.57 2rok n SER 496 Cb 0.07 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.23 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 -0.19 0.76 0.01 1.43 1.13 -1.26 -4.35 117.35 114.88 2rok s TYR 497 Ca 0.00 -1.09 -0.07 0.00 -1.41 0.00 0.00 57.07 54.51 2rok s TYR 497 Cb 0.00 0.10 -0.00 0.00 -1.10 0.00 0.00 41.96 40.96 2rok s TYR 497 CO 0.00 -1.15 0.12 0.50 -2.51 0.00 0.00 175.55 172.51 2rok s ARG 498 N -3.22 0.49 -0.01 -3.49 6.06 -0.47 -4.84 118.95 113.47 2rok s ARG 498 Ca 0.27 -0.47 0.02 0.00 -2.50 0.00 0.00 55.73 53.05 2rok s ARG 498 Cb -0.01 0.20 -0.01 0.00 0.06 0.00 0.00 34.95 35.20 2rok s ARG 498 CO 0.16 -0.12 -0.08 0.42 -2.50 0.00 0.00 175.30 173.18 2rok s ILE 499 N -1.59 0.63 0.27 4.11 1.01 -1.26 -1.27 121.20 123.09 2rok s ILE 499 Ca -0.13 -0.35 -0.09 0.00 0.00 0.00 0.00 60.65 60.08 2rok s ILE 499 Cb -0.07 -0.53 -0.01 0.00 0.01 0.00 0.00 42.46 41.87 2rok s ILE 499 CO 0.00 0.17 0.44 0.00 0.00 0.00 0.00 174.94 175.56 2rok s GLN 500 N -0.20 1.62 0.80 2.79 -2.07 -0.31 -4.88 119.66 117.41 2rok s GLN 500 Ca 0.03 -1.43 -0.11 0.00 -1.82 0.00 0.00 55.36 52.02 2rok s GLN 500 Cb -0.03 0.44 0.07 0.00 -1.09 0.00 0.00 33.01 32.41 2rok s GLN 500 CO -0.00 -0.66 1.09 0.95 -1.32 0.00 0.00 175.29 175.34 2rok s THR 501 N -3.73 3.17 0.26 3.63 -4.23 -1.26 -0.47 115.64 113.01 2rok s THR 501 Ca 0.26 0.38 -0.02 0.00 -1.18 0.00 0.00 61.69 61.13 2rok s THR 501 Cb 0.00 -3.01 0.24 0.00 1.34 0.00 0.00 72.50 71.08 2rok s THR 501 CO 0.12 -0.50 1.81 0.22 -0.54 0.00 0.00 174.62 175.74 2rok h TYR 502 N -1.16 0.93 -0.33 3.99 5.03 -1.53 -2.74 116.97 121.17 2rok h TYR 502 Ca -0.46 0.03 -0.09 0.00 2.58 0.00 0.00 58.73 60.78 2rok h TYR 502 Cb 1.26 -0.29 -0.02 0.00 1.55 0.00 0.00 36.73 39.23 2rok h TYR 502 CO 0.50 0.36 -0.18 0.00 -1.32 0.00 0.00 178.16 177.52 2rok h ALA 503 N 1.50 1.07 -0.15 1.82 0.00 -1.90 -2.15 119.26 119.45 2rok h ALA 503 Ca 0.44 -0.32 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 2rok h ALA 503 Cb 0.45 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2rok h ALA 503 CO -0.27 0.57 -0.38 0.93 0.00 0.00 0.00 179.25 180.10 2rok h GLU 504 N 0.55 0.32 -0.17 0.00 4.39 -1.87 0.42 114.58 118.22 2rok h GLU 504 Ca 0.09 -0.14 -0.03 0.00 0.34 0.00 0.00 59.36 59.61 2rok h GLU 504 Cb 0.62 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.26 2rok h GLU 504 CO 0.04 0.66 -0.03 -0.92 -1.16 0.00 0.00 179.01 177.60 2rok h TYR 505 N 0.27 0.35 -0.86 4.33 3.20 -1.35 -3.15 116.97 119.76 2rok h TYR 505 Ca 0.03 -0.07 0.01 0.00 3.14 0.00 0.00 58.73 61.84 2rok h TYR 505 Cb 0.80 -0.09 -0.04 0.00 1.54 0.00 0.00 36.73 38.93 2rok h TYR 505 CO 0.02 0.57 0.57 0.28 -1.64 0.00 0.00 178.16 177.95 2rok h VAL 506 N 0.04 1.20 -0.51 1.81 2.07 -1.26 -3.07 116.25 116.54 2rok h VAL 506 Ca 0.05 -0.39 -0.10 0.00 0.82 0.00 0.00 66.70 67.07 2rok h VAL 506 Cb 0.44 -0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.15 2rok h VAL 506 CO 0.01 0.21 -0.09 1.23 0.02 0.00 0.00 177.57 178.96 2rok h GLY 507 N 1.15 1.00 2.00 2.17 0.00 -0.93 -2.58 103.07 105.87 2rok h GLY 507 Ca 0.32 -0.77 0.00 0.00 0.00 0.00 0.00 47.33 46.88 2rok h GLY 507 CO -0.08 0.71 0.00 0.07 0.00 0.00 0.00 176.54 177.24 2rok h LYS 508 N 0.83 0.00 -0.33 4.80 2.10 -1.58 -3.33 116.57 119.07 2rok h LYS 508 Ca 0.14 0.00 0.10 0.00 -2.00 0.00 0.00 60.65 58.89 2rok h LYS 508 Cb 0.61 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.93 2rok h LYS 508 CO 0.04 0.00 0.26 -0.22 -2.00 0.00 0.00 179.45 177.54 2rok h LYS 509 N 0.00 0.00 0.00 0.07 3.64 -1.36 -0.04 116.57 118.88 2rok h LYS 509 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2rok h LYS 509 Cb 0.75 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.57 2rok h LYS 509 CO 0.00 0.00 0.00 1.04 -2.27 0.00 0.00 179.45 178.22 2rok n GLN 510 N -4.24 0.10 0.00 1.90 6.02 -1.25 -4.00 117.38 115.91 2rok n GLN 510 Ca 0.05 0.36 0.00 0.00 -0.01 0.00 0.00 57.00 57.40 2rok n GLN 510 Cb 0.44 -1.70 0.00 0.00 1.02 0.00 0.00 30.24 30.00 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 -1.89 2.38 0.00 -1.09 5.02 -0.19 -5.17 118.16 117.22 2rok n LYS 511 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 2rok n LYS 511 Cb 0.18 -0.82 0.00 0.00 -0.02 0.00 0.00 35.03 34.38 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 2.13 -0.71 3.68 0.72 0.00 -0.25 -5.05 105.19 105.72 2rok n GLY 512 Ca 0.00 -2.19 -0.32 0.00 0.00 0.00 0.00 46.02 43.52 2rok n GLY 512 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2rok s LYS 513 N 0.00 1.19 0.00 1.61 -0.14 -1.26 -4.76 119.74 116.37 2rok s LYS 513 Ca 0.00 1.59 0.00 0.00 -1.36 0.00 0.00 55.97 56.20 2rok s LYS 513 Cb 0.00 -1.74 0.00 0.00 -1.68 0.00 0.00 37.83 34.41 2rok s LYS 513 CO 0.00 -2.52 0.10 1.04 -0.76 0.00 0.00 175.35 173.21 2rok n GLN 514 N -4.01 3.04 0.12 1.68 6.02 -1.26 -4.71 117.38 118.25 2rok n GLN 514 Ca 0.12 -0.10 0.13 0.00 -0.01 0.00 0.00 57.00 57.14 2rok n GLN 514 Cb 0.52 -0.48 0.40 0.00 1.02 0.00 0.00 30.24 31.70 2rok n GLN 514 CO 0.00 0.00 0.00 -0.39 -1.01 0.00 0.00 177.06 175.66 2rok h VAL 515 N 0.10 0.00 -3.55 5.09 -1.51 -2.06 -3.47 116.25 110.85 2rok h VAL 515 Ca 0.00 -0.48 -0.06 0.00 -1.23 0.00 0.00 66.70 64.93 2rok h VAL 515 Cb 0.05 1.45 -0.08 0.00 -2.13 0.00 0.00 31.29 30.59 2rok h VAL 515 CO 0.00 0.00 -0.04 -1.59 -1.23 0.00 0.00 177.57 174.71 2rok s LYS 516 N -3.14 1.69 0.07 5.19 -2.85 -1.26 -5.11 119.74 114.32 2rok s LYS 516 Ca 0.10 -1.29 0.00 0.00 -1.00 0.00 0.00 55.97 53.78 2rok s LYS 516 Cb 0.11 0.50 0.00 0.00 -2.06 0.00 0.00 37.83 36.39 2rok s LYS 516 CO 0.58 -0.72 0.00 -1.13 0.10 0.00 0.00 175.35 174.17 2rok n SER 517 N -0.60 -0.43 -0.87 0.03 3.41 -1.26 -4.89 113.62 109.00 2rok n SER 517 Ca -0.02 0.13 0.06 0.00 -0.26 0.00 0.00 58.87 58.77 2rok n SER 517 Cb 0.61 0.64 -0.01 0.00 -0.26 0.00 0.00 64.21 65.19 2rok n SER 517 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2rok n GLY 518 N -0.10 -1.51 3.75 5.00 0.00 -1.26 -4.90 105.19 106.17 2rok n GLY 518 Ca 0.00 -1.16 -0.30 0.00 0.00 0.00 0.00 46.02 44.57 2rok n GLY 518 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2rok s PRO 519 N -0.72 1.45 0.02 1.61 0.04 -1.26 -5.10 135.00 131.03 2rok s PRO 519 Ca 0.00 0.69 -0.01 0.00 0.04 0.00 0.00 61.00 61.72 2rok s PRO 519 Cb 0.00 -1.84 -0.02 0.00 0.04 0.00 0.00 34.50 32.68 2rok s PRO 519 CO 0.00 -2.08 -0.00 -1.12 0.04 0.00 0.00 177.00 173.84 2rok s SER 520 N -3.63 0.19 0.32 6.66 0.01 -1.26 -5.07 113.70 110.92 2rok s SER 520 Ca 0.63 -0.41 0.26 0.00 1.31 0.00 0.00 55.95 57.73 2rok s SER 520 Cb -0.17 0.11 1.02 0.00 0.21 0.00 0.00 66.02 67.19 2rok s SER 520 CO 0.56 -0.29 1.77 0.28 0.41 0.00 0.00 173.24 175.97 2rok h SER 521 N 4.70 0.00 0.00 2.44 0.02 -2.03 -3.57 113.55 115.11 2rok h SER 521 Ca -0.31 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.64 2rok h SER 521 Cb 1.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.75 2rok h SER 521 CO 0.42 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.72