#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fwg s HIS 428 N 0.00 -0.35 0.73 4.78 -3.43 -1.26 -4.24 115.29 111.52 2fwg s HIS 428 Ca 0.00 0.66 -0.13 0.00 -0.80 0.00 0.00 55.06 54.79 2fwg s HIS 428 Cb 0.00 0.18 0.04 0.00 -1.43 0.00 0.00 32.58 31.37 2fwg s HIS 428 CO 0.00 -0.40 1.12 -0.51 -2.00 0.00 0.00 174.74 172.95 2fwg s LEU 429 N -0.94 3.20 -0.72 5.38 1.43 -1.26 -4.97 118.68 120.80 2fwg s LEU 429 Ca -0.10 2.01 -0.15 0.00 -1.03 0.00 0.00 54.13 54.86 2fwg s LEU 429 Cb -0.04 -4.55 0.18 0.00 0.03 0.00 0.00 46.19 41.82 2fwg s LEU 429 CO 0.05 -2.01 0.68 0.20 0.23 0.00 0.00 176.35 175.49 2fwg s ASN 430 N -2.78 6.54 0.27 2.29 0.01 -1.26 -5.04 114.94 114.97 2fwg s ASN 430 Ca 0.66 -2.33 -0.07 0.00 -0.71 0.00 0.00 52.86 50.41 2fwg s ASN 430 Cb -0.21 -2.22 -0.06 0.00 0.41 0.00 0.00 41.25 39.18 2fwg s ASN 430 CO 0.49 -0.70 0.56 -0.36 -1.51 0.00 0.00 177.10 175.57 2fwg s PHE 431 N 0.79 3.46 -0.23 2.20 0.08 -1.26 -4.56 117.98 118.46 2fwg s PHE 431 Ca 0.13 0.75 -0.08 0.00 0.12 0.00 0.00 56.93 57.85 2fwg s PHE 431 Cb -0.17 -2.18 -0.04 0.00 -0.57 0.00 0.00 43.02 40.06 2fwg s PHE 431 CO -0.04 0.20 0.09 0.99 -0.10 0.00 0.00 175.22 176.36 2fwg s THR 432 N -1.98 4.65 0.30 0.64 2.01 -0.19 -4.94 115.64 116.13 2fwg s THR 432 Ca 0.46 -0.07 -0.28 0.00 0.31 0.00 0.00 61.69 62.11 2fwg s THR 432 Cb -0.11 -3.15 -0.09 0.00 0.01 0.00 0.00 72.50 69.16 2fwg s THR 432 CO 0.26 0.37 1.09 -1.10 -0.69 0.00 0.00 174.62 174.55 2fwg s GLN 433 N 1.17 4.55 0.05 4.92 -1.52 -1.26 -1.33 119.66 126.24 2fwg s GLN 433 Ca 0.05 1.75 0.04 0.00 -1.95 0.00 0.00 55.36 55.25 2fwg s GLN 433 Cb -0.14 -3.07 -0.03 0.00 -0.22 0.00 0.00 33.01 29.55 2fwg s GLN 433 CO 0.04 0.15 -0.12 0.96 -0.25 0.00 0.00 175.29 176.07 2fwg s ILE 434 N -1.25 0.89 -0.12 1.08 -5.25 -0.08 -4.89 121.20 111.58 2fwg s ILE 434 Ca 0.47 -1.15 -0.01 0.00 -0.99 0.00 0.00 60.65 58.97 2fwg s ILE 434 Cb -0.30 -0.88 -0.07 0.00 2.95 0.00 0.00 42.46 44.16 2fwg s ILE 434 CO 0.39 -0.24 -0.12 1.17 -1.79 0.00 0.00 174.94 174.35 2fwg n LYS 435 N 1.48 0.29 -4.53 0.37 3.00 -1.26 -4.22 118.16 113.29 2fwg n LYS 435 Ca -0.21 0.08 -0.26 0.00 -0.00 0.00 0.00 58.31 57.93 2fwg n LYS 435 Cb 0.54 -1.17 -0.10 0.00 0.00 0.00 0.00 35.03 34.30 2fwg n LYS 435 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 2fwg s THR 436 N -2.24 2.24 0.19 3.15 -4.23 -1.26 -4.47 115.64 109.02 2fwg s THR 436 Ca -0.17 -2.22 -0.12 0.00 -1.18 0.00 0.00 61.69 58.01 2fwg s THR 436 Cb 0.05 -2.61 0.12 0.00 1.34 0.00 0.00 72.50 71.40 2fwg s THR 436 CO 0.26 -0.22 1.73 0.58 -0.54 0.00 0.00 174.62 176.43 2fwg h VAL 437 N 2.05 0.76 -0.81 2.29 2.07 -1.92 -0.47 116.25 120.23 2fwg h VAL 437 Ca -0.42 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.00 2fwg h VAL 437 Cb 1.25 0.41 -0.04 0.00 -1.52 0.00 0.00 31.29 31.39 2fwg h VAL 437 CO 0.69 0.06 0.52 0.44 0.02 0.00 0.00 177.57 179.31 2fwg h ASP 438 N 0.32 0.94 -0.55 0.57 3.45 -1.99 -1.75 116.42 117.41 2fwg h ASP 438 Ca 0.27 -0.04 -0.08 0.00 0.43 0.00 0.00 57.03 57.61 2fwg h ASP 438 Cb 0.33 -0.24 -0.02 0.00 -0.56 0.00 0.00 39.33 38.84 2fwg h ASP 438 CO -0.30 0.70 0.04 -0.33 -1.57 0.00 0.00 179.24 177.77 2fwg h GLU 439 N 1.10 0.95 -0.46 3.56 5.08 -1.80 -1.75 114.58 121.25 2fwg h GLU 439 Ca 0.30 -0.28 0.03 0.00 -1.00 0.00 0.00 59.36 58.40 2fwg h GLU 439 Cb -0.10 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.02 2fwg h GLU 439 CO -0.06 0.94 0.25 1.25 -1.00 0.00 0.00 179.01 180.39 2fwg h LEU 440 N 0.83 0.39 -0.86 1.33 5.85 -0.74 -0.82 115.31 121.29 2fwg h LEU 440 Ca 0.16 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.86 2fwg h LEU 440 Cb 0.49 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.41 2fwg h LEU 440 CO 0.02 0.28 0.39 0.78 -0.34 0.00 0.00 178.44 179.57 2fwg h ASN 441 N 0.51 1.11 0.42 1.25 -0.26 -1.06 -0.28 115.58 117.26 2fwg h ASN 441 Ca 0.19 -0.14 -0.15 0.00 -0.56 0.00 0.00 56.30 55.64 2fwg h ASN 441 Cb 0.06 -0.28 -0.01 0.00 -1.06 0.00 0.00 38.32 37.02 2fwg h ASN 441 CO -0.11 0.94 -0.63 -0.61 -1.06 0.00 0.00 177.43 175.96 2fwg h GLN 442 N 1.20 0.20 -0.66 0.81 5.75 -1.07 -1.25 115.11 120.09 2fwg h GLN 442 Ca 0.29 -0.14 -0.07 0.00 -0.15 0.00 0.00 58.65 58.57 2fwg h GLN 442 Cb 0.14 0.02 -0.03 0.00 1.07 0.00 0.00 27.48 28.68 2fwg h GLN 442 CO -0.03 0.77 0.15 0.00 -2.65 0.00 0.00 178.83 177.06 2fwg h ALA 443 N 1.20 1.01 -0.58 3.38 0.00 -0.53 -0.61 119.26 123.13 2fwg h ALA 443 Ca -0.01 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.57 2fwg h ALA 443 Cb 1.15 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 2fwg h ALA 443 CO 0.10 0.64 0.03 -0.07 0.00 0.00 0.00 179.25 179.95 2fwg h LEU 444 N 1.00 0.97 -0.63 0.00 3.38 -0.80 -0.71 115.31 118.52 2fwg h LEU 444 Ca 0.21 -0.29 0.03 0.00 0.09 0.00 0.00 57.88 57.92 2fwg h LEU 444 Cb 0.37 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 2fwg h LEU 444 CO 0.00 1.02 0.38 0.58 0.09 0.00 0.00 178.44 180.51 2fwg h VAL 445 N 0.89 1.05 0.00 1.22 2.07 -0.92 -2.20 116.25 118.36 2fwg h VAL 445 Ca 0.17 -0.25 -0.05 0.00 0.82 0.00 0.00 66.70 67.39 2fwg h VAL 445 Cb 0.50 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 2fwg h VAL 445 CO 0.02 0.13 -0.22 -0.33 0.02 0.00 0.00 177.57 177.20 2fwg h GLU 446 N 0.74 0.00 -0.00 1.57 5.08 -0.77 -2.86 114.58 118.34 2fwg h GLU 446 Ca 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 2fwg h GLU 446 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 2fwg h GLU 446 CO -0.12 0.22 -0.10 0.00 -1.00 0.00 0.00 179.01 178.01 2fwg n ALA 447 N -2.18 2.61 -1.66 3.43 0.00 -0.30 -4.94 120.51 117.47 2fwg n ALA 447 Ca 0.01 -0.16 -0.47 0.00 0.00 0.00 0.00 53.44 52.82 2fwg n ALA 447 Cb 0.51 -1.39 -0.05 0.00 0.00 0.00 0.00 19.45 18.52 2fwg n ALA 447 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2fwg n LYS 448 N -1.45 2.00 0.00 0.00 3.00 -0.86 -1.15 118.16 119.70 2fwg n LYS 448 Ca 0.08 0.72 0.00 0.00 -0.00 0.00 0.00 58.31 59.11 2fwg n LYS 448 Cb 0.33 -2.48 0.00 0.00 0.00 0.00 0.00 35.03 32.88 2fwg n LYS 448 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2fwg n GLY 449 N 3.40 0.83 3.13 3.14 0.00 0.12 -5.05 105.19 110.76 2fwg n GLY 449 Ca 0.18 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.99 2fwg n GLY 449 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2fwg s LYS 450 N -0.84 1.00 0.76 1.61 1.02 -0.30 -4.86 119.74 118.14 2fwg s LYS 450 Ca 0.00 -0.66 -0.12 0.00 0.02 0.00 0.00 55.97 55.21 2fwg s LYS 450 Cb 0.00 -1.00 0.05 0.00 -0.52 0.00 0.00 37.83 36.36 2fwg s LYS 450 CO 0.00 0.26 1.11 -1.25 -0.92 0.00 0.00 175.35 174.55 2fwg s PRO 451 N -0.85 2.24 -0.01 -1.68 0.04 -1.26 -4.17 135.00 129.32 2fwg s PRO 451 Ca 0.03 1.30 0.04 0.00 0.04 0.00 0.00 61.00 62.41 2fwg s PRO 451 Cb -0.07 -1.89 -0.01 0.00 0.04 0.00 0.00 34.50 32.57 2fwg s PRO 451 CO 0.01 -1.67 -0.14 0.08 0.04 0.00 0.00 177.00 175.32 2fwg s VAL 452 N -2.68 1.09 -0.11 -0.36 1.01 -0.38 -0.73 120.40 118.24 2fwg s VAL 452 Ca 0.64 -0.58 0.03 0.00 0.00 0.00 0.00 61.98 62.06 2fwg s VAL 452 Cb -0.19 -0.91 -0.00 0.00 0.00 0.00 0.00 36.38 35.27 2fwg s VAL 452 CO 0.52 0.31 -0.20 -0.32 0.00 0.00 0.00 175.10 175.41 2fwg s MET 453 N -0.27 3.15 -0.28 2.72 1.75 -0.12 -0.88 119.30 125.37 2fwg s MET 453 Ca 0.04 -0.82 -0.03 0.00 -1.25 0.00 0.00 55.69 53.63 2fwg s MET 453 Cb -0.06 -2.42 0.03 0.00 2.84 0.00 0.00 34.83 35.22 2fwg s MET 453 CO -0.00 0.16 -0.00 -1.17 -0.65 0.00 0.00 175.02 173.36 2fwg s LEU 454 N 0.41 3.63 -0.13 4.11 2.96 0.24 -0.81 118.68 129.09 2fwg s LEU 454 Ca -0.15 -0.98 -0.17 0.00 -0.22 0.00 0.00 54.13 52.61 2fwg s LEU 454 Cb -0.17 -1.74 -0.04 0.00 0.50 0.00 0.00 46.19 44.74 2fwg s LEU 454 CO 0.07 -0.20 0.43 -0.62 -1.32 0.00 0.00 176.35 174.71 2fwg s ASP 455 N 1.35 6.62 -0.25 3.68 2.15 0.16 -0.85 116.67 129.52 2fwg s ASP 455 Ca -0.01 0.73 -0.09 0.00 0.43 0.00 0.00 52.55 53.62 2fwg s ASP 455 Cb -0.18 -2.26 -0.04 0.00 -0.30 0.00 0.00 42.92 40.14 2fwg s ASP 455 CO -0.01 0.02 0.11 -0.76 -0.17 0.00 0.00 175.17 174.36 2fwg s LEU 456 N 0.61 3.67 0.12 -1.34 1.02 -0.34 -1.15 118.68 121.26 2fwg s LEU 456 Ca 0.24 -0.12 0.08 0.00 0.02 0.00 0.00 54.13 54.35 2fwg s LEU 456 Cb -0.15 -1.99 -0.04 0.00 0.02 0.00 0.00 46.19 44.03 2fwg s LEU 456 CO 0.09 -0.02 -0.20 -0.47 0.02 0.00 0.00 176.35 175.76 2fwg s TYR 457 N 1.56 1.78 -0.02 0.29 6.14 -0.10 -3.90 117.35 123.11 2fwg s TYR 457 Ca 0.06 -0.43 -0.16 0.00 0.64 0.00 0.00 57.07 57.17 2fwg s TYR 457 Cb -0.15 -0.95 0.03 0.00 0.42 0.00 0.00 41.96 41.31 2fwg s TYR 457 CO 0.06 0.23 0.35 0.00 0.64 0.00 0.00 175.55 176.83 2fwg s ALA 458 N -1.41 -0.89 0.47 3.97 0.00 -1.26 -0.65 121.76 121.99 2fwg s ALA 458 Ca 0.09 0.43 0.22 0.00 0.00 0.00 0.00 51.96 52.70 2fwg s ALA 458 Cb -0.09 0.07 1.35 0.00 0.00 0.00 0.00 23.12 24.45 2fwg s ALA 458 CO 0.05 -0.27 2.09 -0.44 0.00 0.00 0.00 175.76 177.18 2fwg h ASP 459 N 3.78 0.00 -0.12 0.00 3.32 -1.94 -2.07 116.42 119.39 2fwg h ASP 459 Ca -0.29 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.76 2fwg h ASP 459 Cb 1.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.72 2fwg h ASP 459 CO 0.40 0.11 0.00 -2.67 -1.72 0.00 0.00 179.24 175.36 2fwg n TRP 460 N -4.00 0.15 -3.16 4.55 4.27 -1.26 -4.82 117.44 113.17 2fwg n TRP 460 Ca -0.02 -0.07 -0.44 0.00 -3.89 0.00 0.00 57.50 53.08 2fwg n TRP 460 Cb 0.20 0.00 -0.06 0.00 -1.36 0.00 0.00 31.31 30.08 2fwg n TRP 460 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2fwg h VAL 462 N 5.86 1.13 0.00 0.00 -1.51 -1.87 -2.05 116.25 117.80 2fwg h VAL 462 Ca -0.27 -0.26 -0.05 0.00 -1.23 0.00 0.00 66.70 64.88 2fwg h VAL 462 Cb 1.10 0.54 -0.01 0.00 -2.13 0.00 0.00 31.29 30.79 2fwg h VAL 462 CO 0.95 0.12 -0.24 0.00 -1.23 0.00 0.00 177.57 177.17 2fwg h ALA 463 N 1.13 1.58 -0.37 5.19 0.00 -1.93 0.23 119.26 125.10 2fwg h ALA 463 Ca 0.15 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 2fwg h ALA 463 Cb -0.03 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2fwg h ALA 463 CO -0.03 0.30 0.15 0.00 0.00 0.00 0.00 179.25 179.67 2fwg h LYS 465 N 0.45 0.73 -0.57 0.00 1.79 -0.74 -2.37 116.57 115.86 2fwg h LYS 465 Ca 0.12 -0.13 -0.08 0.00 -2.18 0.00 0.00 60.65 58.39 2fwg h LYS 465 Cb 0.18 -0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 30.69 2fwg h LYS 465 CO -0.01 0.64 0.06 0.93 -1.08 0.00 0.00 179.45 179.98 2fwg h GLU 466 N 0.71 0.95 -0.45 3.15 5.08 -0.63 -0.90 114.58 122.48 2fwg h GLU 466 Ca 0.16 -0.25 0.06 0.00 -1.00 0.00 0.00 59.36 58.34 2fwg h GLU 466 Cb 0.22 -0.11 -0.06 0.00 0.50 0.00 0.00 28.75 29.30 2fwg h GLU 466 CO -0.01 0.90 0.13 0.74 -1.00 0.00 0.00 179.01 179.77 2fwg h PHE 467 N 0.88 0.22 -0.81 4.33 0.04 -0.69 0.39 116.94 121.30 2fwg h PHE 467 Ca 0.17 0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.94 2fwg h PHE 467 Cb 0.44 -0.03 -0.04 0.00 2.20 0.00 0.00 35.95 38.52 2fwg h PHE 467 CO 0.03 0.06 0.40 0.93 -0.60 0.00 0.00 178.31 179.12 2fwg h GLU 468 N 0.28 1.16 -0.11 1.51 5.08 -0.91 0.19 114.58 121.78 2fwg h GLU 468 Ca 0.22 -0.16 -0.14 0.00 -1.00 0.00 0.00 59.36 58.28 2fwg h GLU 468 Cb 0.24 -0.21 0.01 0.00 0.50 0.00 0.00 28.75 29.29 2fwg h GLU 468 CO -0.25 0.88 -0.46 -0.22 -1.00 0.00 0.00 179.01 177.96 2fwg h LYS 469 N 1.15 0.50 0.00 2.33 3.64 -0.64 -3.25 116.57 120.31 2fwg h LYS 469 Ca 0.28 -0.40 -0.10 0.00 -1.27 0.00 0.00 60.65 59.16 2fwg h LYS 469 Cb 0.10 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.98 2fwg h LYS 469 CO -0.04 1.03 -1.72 0.66 -2.27 0.00 0.00 179.45 177.11 2fwg n TYR 470 N -4.26 0.00 0.02 1.91 4.01 0.08 -4.64 117.16 114.27 2fwg n TYR 470 Ca -0.08 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.64 2fwg n TYR 470 Cb 0.58 -0.44 -0.01 0.00 -0.31 0.00 0.00 39.34 39.16 2fwg n TYR 470 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 2fwg n THR 471 N -2.19 1.07 0.32 -0.72 -1.04 -0.43 -4.27 114.28 107.02 2fwg n THR 471 Ca -0.10 0.28 0.15 0.00 -2.04 0.00 0.00 64.05 62.34 2fwg n THR 471 Cb 0.60 -1.68 0.67 0.00 -1.82 0.00 0.00 70.33 68.10 2fwg n THR 471 CO 0.00 0.00 0.00 -0.26 -0.64 0.00 0.00 175.07 174.17 2fwg h PHE 472 N -0.16 0.00 -0.00 -1.42 0.04 -0.87 -2.14 116.94 112.38 2fwg h PHE 472 Ca -0.02 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.75 2fwg h PHE 472 Cb 0.35 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.50 2fwg h PHE 472 CO -0.06 0.00 -0.14 -1.13 -0.60 0.00 0.00 178.31 176.38 2fwg n SER 473 N -2.70 0.29 -4.65 2.17 3.41 -1.22 -4.30 113.62 106.62 2fwg n SER 473 Ca 0.01 -0.15 -0.40 0.00 -0.26 0.00 0.00 58.87 58.07 2fwg n SER 473 Cb 0.22 -0.16 -0.06 0.00 -0.26 0.00 0.00 64.21 63.95 2fwg n SER 473 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2fwg s ASP 474 N -2.74 6.62 0.43 4.04 -1.08 -0.81 -4.75 116.67 118.39 2fwg s ASP 474 Ca 0.21 0.76 0.21 0.00 -0.52 0.00 0.00 52.55 53.20 2fwg s ASP 474 Cb 0.19 -2.33 1.16 0.00 -1.46 0.00 0.00 42.92 40.48 2fwg s ASP 474 CO 0.53 -0.29 1.82 -0.65 0.52 0.00 0.00 175.17 177.11 2fwg h PRO 475 N 7.62 0.33 -0.42 4.34 0.11 -1.89 -0.27 132.00 141.80 2fwg h PRO 475 Ca -0.30 -0.02 0.04 0.00 0.11 0.00 0.00 66.00 65.82 2fwg h PRO 475 Cb 1.14 -0.07 -0.04 0.00 0.11 0.00 0.00 31.00 32.14 2fwg h PRO 475 CO 0.76 0.22 0.20 0.37 -0.21 0.00 0.00 178.00 179.34 2fwg h GLN 476 N 0.34 0.39 -0.31 1.05 5.75 -1.93 0.20 115.11 120.60 2fwg h GLN 476 Ca 0.52 -0.02 -0.12 0.00 -0.15 0.00 0.00 58.65 58.88 2fwg h GLN 476 Cb 1.42 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 29.87 2fwg h GLN 476 CO -0.19 0.26 -0.26 0.28 -2.65 0.00 0.00 178.83 176.27 2fwg h VAL 477 N 0.41 1.30 -0.41 2.39 2.07 -1.34 -1.55 116.25 119.12 2fwg h VAL 477 Ca 0.19 -1.42 0.04 0.00 0.82 0.00 0.00 66.70 66.33 2fwg h VAL 477 Cb 0.11 1.51 -0.04 0.00 -1.52 0.00 0.00 31.29 31.35 2fwg h VAL 477 CO -0.14 0.46 0.18 1.56 0.02 0.00 0.00 177.57 179.64 2fwg h GLN 478 N 0.48 0.36 -0.29 1.57 4.20 -1.06 -1.78 115.11 118.59 2fwg h GLN 478 Ca 0.06 -0.02 -0.14 0.00 0.06 0.00 0.00 58.65 58.60 2fwg h GLN 478 Cb 0.82 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.52 2fwg h GLN 478 CO 0.07 0.24 -0.40 0.87 -0.67 0.00 0.00 178.83 178.93 2fwg h LYS 479 N 0.37 0.70 0.00 1.46 1.57 -0.95 -2.54 116.57 117.18 2fwg h LYS 479 Ca 0.18 -0.37 -0.02 0.00 -1.87 0.00 0.00 60.65 58.57 2fwg h LYS 479 Cb 0.13 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.44 2fwg h LYS 479 CO -0.15 0.98 -0.11 0.00 -0.57 0.00 0.00 179.45 179.59 2fwg h ALA 480 N 0.97 1.61 -0.13 3.86 0.00 -0.87 -2.47 119.26 122.23 2fwg h ALA 480 Ca 0.05 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2fwg h ALA 480 Cb 0.94 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.72 2fwg h ALA 480 CO 0.09 0.14 0.00 1.28 0.00 0.00 0.00 179.25 180.76 2fwg n LEU 481 N -4.11 2.54 0.27 0.00 4.77 -0.71 -4.55 117.00 115.22 2fwg n LEU 481 Ca -0.02 -0.94 0.13 0.00 -0.03 0.00 0.00 56.01 55.14 2fwg n LEU 481 Cb 0.20 -0.07 0.82 0.00 -2.33 0.00 0.00 43.42 42.03 2fwg n LEU 481 CO 0.33 0.47 1.11 0.00 -1.33 0.00 0.00 177.39 177.97 2fwg h ALA 482 N 4.48 1.72 -0.43 -1.18 0.00 -1.02 -1.62 119.26 121.20 2fwg h ALA 482 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2fwg h ALA 482 Cb 0.80 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2fwg h ALA 482 CO 0.00 -0.03 0.00 -0.25 0.00 0.00 0.00 179.25 178.97 2fwg n ASP 483 N -4.09 4.44 -4.55 0.00 8.00 -1.26 -4.95 116.55 114.15 2fwg n ASP 483 Ca -0.02 -2.76 -0.34 0.00 0.71 0.00 0.00 54.79 52.38 2fwg n ASP 483 Cb 0.11 -0.55 -0.12 0.00 -0.02 0.00 0.00 41.12 40.54 2fwg n ASP 483 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2fwg s THR 484 N -2.39 3.64 -0.11 -3.53 2.01 -0.61 -4.49 115.64 110.15 2fwg s THR 484 Ca 0.45 -0.49 -0.30 0.00 0.31 0.00 0.00 61.69 61.66 2fwg s THR 484 Cb 0.33 -2.50 -0.02 0.00 0.01 0.00 0.00 72.50 70.32 2fwg s THR 484 CO 0.15 0.58 1.14 -0.69 -0.69 0.00 0.00 174.62 175.11 2fwg s VAL 485 N -0.57 4.44 -0.26 3.82 1.01 0.09 -4.92 120.40 124.01 2fwg s VAL 485 Ca 0.09 1.74 -0.07 0.00 0.00 0.00 0.00 61.98 63.73 2fwg s VAL 485 Cb -0.12 -4.12 -0.02 0.00 0.00 0.00 0.00 36.38 32.12 2fwg s VAL 485 CO 0.02 -0.04 0.08 -0.76 0.00 0.00 0.00 175.10 174.39 2fwg s LEU 486 N 2.49 3.52 0.08 3.92 1.43 -1.26 -0.94 118.68 127.92 2fwg s LEU 486 Ca 0.52 -0.29 0.07 0.00 -1.03 0.00 0.00 54.13 53.41 2fwg s LEU 486 Cb -0.21 -1.92 -0.04 0.00 0.03 0.00 0.00 46.19 44.05 2fwg s LEU 486 CO 0.18 -0.06 -0.14 -0.76 0.23 0.00 0.00 176.35 175.79 2fwg s LEU 487 N 1.60 2.84 -0.01 1.79 1.43 0.01 -1.03 118.68 125.32 2fwg s LEU 487 Ca 0.06 -0.43 0.00 0.00 -1.03 0.00 0.00 54.13 52.74 2fwg s LEU 487 Cb -0.15 -1.66 0.00 0.00 0.03 0.00 0.00 46.19 44.41 2fwg s LEU 487 CO 0.04 0.21 -0.01 -1.58 0.23 0.00 0.00 176.35 175.23 2fwg s GLN 488 N -1.91 0.14 -0.17 1.70 0.74 -0.44 -0.66 119.66 119.06 2fwg s GLN 488 Ca 0.18 -0.02 -0.01 0.00 0.05 0.00 0.00 55.36 55.56 2fwg s GLN 488 Cb -0.11 -0.18 -0.01 0.00 1.10 0.00 0.00 33.01 33.82 2fwg s GLN 488 CO 0.10 -0.00 -0.12 0.00 -0.55 0.00 0.00 175.29 174.72 2fwg s ALA 489 N 0.18 2.62 -0.50 1.58 0.00 -0.30 -0.90 121.76 124.44 2fwg s ALA 489 Ca -0.01 -1.03 -0.15 0.00 0.00 0.00 0.00 51.96 50.76 2fwg s ALA 489 Cb -0.03 -1.35 0.10 0.00 0.00 0.00 0.00 23.12 21.84 2fwg s ALA 489 CO -0.01 -0.06 0.43 1.21 0.00 0.00 0.00 175.76 177.34 2fwg s ASN 490 N 0.86 6.10 -0.29 0.00 2.47 -1.26 -0.92 114.94 121.90 2fwg s ASN 490 Ca -0.03 -1.60 0.11 0.00 0.42 0.00 0.00 52.86 51.76 2fwg s ASN 490 Cb -0.15 -2.17 0.75 0.00 -1.45 0.00 0.00 41.25 38.23 2fwg s ASN 490 CO 0.00 -0.74 1.76 1.33 -3.72 0.00 0.00 177.10 175.73 2fwg n VAL 491 N 5.18 2.84 -0.28 -5.21 0.24 0.17 -4.66 118.33 116.62 2fwg n VAL 491 Ca -0.13 -1.64 0.10 0.00 -2.04 0.00 0.00 64.34 60.64 2fwg n VAL 491 Cb 0.42 -0.33 0.25 0.00 -1.47 0.00 0.00 33.84 32.71 2fwg n VAL 491 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 2fwg h THR 492 N 2.92 0.36 0.00 3.34 2.02 -1.92 -1.17 112.91 118.45 2fwg h THR 492 Ca 0.17 -0.07 -0.01 0.00 0.77 0.00 0.00 66.41 67.27 2fwg h THR 492 Cb 2.16 0.13 -0.00 0.00 -1.74 0.00 0.00 68.15 68.70 2fwg h THR 492 CO 0.63 0.04 -0.05 0.00 0.37 0.00 0.00 175.52 176.50 2fwg h ALA 493 N 1.74 0.98 -6.49 6.16 0.00 -1.96 -3.47 119.26 116.21 2fwg h ALA 493 Ca 0.51 -0.05 -0.50 0.00 0.00 0.00 0.00 54.91 54.87 2fwg h ALA 493 Cb 0.97 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.67 2fwg h ALA 493 CO -0.63 0.06 -0.83 -1.71 0.00 0.00 0.00 179.25 176.14 2fwg n ASN 494 N -3.12 -2.46 -3.83 0.00 5.15 -0.44 -4.98 115.26 105.58 2fwg n ASN 494 Ca 0.03 -0.94 -0.28 0.00 -0.60 0.00 0.00 54.58 52.79 2fwg n ASN 494 Cb 0.48 -3.25 0.20 0.00 -0.53 0.00 0.00 39.78 36.68 2fwg n ASN 494 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 2fwg n ASP 495 N -2.85 0.11 -0.35 1.20 5.68 -1.26 -4.69 116.55 114.39 2fwg n ASP 495 Ca -0.10 -1.47 0.01 0.00 -0.50 0.00 0.00 54.79 52.73 2fwg n ASP 495 Cb 0.58 -0.97 0.17 0.00 -1.14 0.00 0.00 41.12 39.76 2fwg n ASP 495 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2fwg h ALA 496 N -1.79 1.38 -0.32 2.12 0.00 -1.99 0.75 119.26 119.42 2fwg h ALA 496 Ca -0.41 -0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.29 2fwg h ALA 496 Cb 1.14 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 2fwg h ALA 496 CO 0.29 0.52 -0.46 1.96 0.00 0.00 0.00 179.25 181.56 2fwg h GLN 497 N 1.21 0.85 -0.24 0.00 4.20 -1.92 -1.20 115.11 118.00 2fwg h GLN 497 Ca 0.39 -0.49 0.02 0.00 0.06 0.00 0.00 58.65 58.63 2fwg h GLN 497 Cb 0.02 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 2fwg h GLN 497 CO -0.12 1.13 0.11 -0.44 -0.67 0.00 0.00 178.83 178.83 2fwg h ASP 498 N 0.68 0.15 -0.63 1.46 3.45 -1.58 -0.90 116.42 119.04 2fwg h ASP 498 Ca 0.04 0.02 -0.08 0.00 0.43 0.00 0.00 57.03 57.44 2fwg h ASP 498 Cb 1.05 -0.01 -0.02 0.00 -0.56 0.00 0.00 39.33 39.78 2fwg h ASP 498 CO 0.10 0.12 0.09 0.58 -1.57 0.00 0.00 179.24 178.56 2fwg h VAL 499 N 0.23 1.26 -0.66 -1.35 2.07 -0.76 -0.31 116.25 116.74 2fwg h VAL 499 Ca 0.10 -1.03 -0.04 0.00 0.82 0.00 0.00 66.70 66.55 2fwg h VAL 499 Cb 0.05 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.48 2fwg h VAL 499 CO -0.08 0.38 0.26 0.00 0.02 0.00 0.00 177.57 178.15 2fwg h ALA 500 N 1.03 1.22 -0.08 1.67 0.00 -1.03 -0.66 119.26 121.41 2fwg h ALA 500 Ca 0.19 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2fwg h ALA 500 Cb 0.45 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 2fwg h ALA 500 CO 0.01 0.57 0.02 1.25 0.00 0.00 0.00 179.25 181.10 2fwg h LEU 501 N 0.95 0.13 -0.76 0.00 5.85 -0.70 -1.02 115.31 119.75 2fwg h LEU 501 Ca 0.22 -0.25 0.04 0.00 0.84 0.00 0.00 57.88 58.73 2fwg h LEU 501 Cb 0.19 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.13 2fwg h LEU 501 CO -0.02 0.34 0.47 -0.07 -0.34 0.00 0.00 178.44 178.83 2fwg h LEU 502 N -0.09 0.77 -0.38 2.25 3.38 -0.85 -1.47 115.31 118.92 2fwg h LEU 502 Ca 0.03 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 2fwg h LEU 502 Cb 0.27 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 2fwg h LEU 502 CO 0.00 0.53 0.11 0.50 0.09 0.00 0.00 178.44 179.67 2fwg h LYS 503 N 0.91 0.60 -0.99 1.13 3.64 -1.05 -0.41 116.57 120.40 2fwg h LYS 503 Ca 0.31 -0.13 0.02 0.00 -1.27 0.00 0.00 60.65 59.57 2fwg h LYS 503 Cb 0.04 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 31.73 2fwg h LYS 503 CO -0.12 0.62 0.65 1.25 -2.27 0.00 0.00 179.45 179.58 2fwg h HIS 504 N 0.47 1.23 -0.01 1.91 2.76 -0.81 -1.49 115.15 119.21 2fwg h HIS 504 Ca 0.12 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.32 2fwg h HIS 504 Cb 0.27 -0.42 0.00 0.00 1.55 0.00 0.00 27.41 28.82 2fwg h HIS 504 CO 0.01 0.76 -0.04 1.28 -1.30 0.00 0.00 177.93 178.64 2fwg n LEU 505 N -4.40 0.86 -3.85 0.26 4.77 -0.59 -4.93 117.00 109.13 2fwg n LEU 505 Ca 0.12 -0.25 -0.25 0.00 -0.03 0.00 0.00 56.01 55.60 2fwg n LEU 505 Cb 0.03 -0.05 0.01 0.00 -2.33 0.00 0.00 43.42 41.08 2fwg n LEU 505 CO 0.36 0.15 -0.10 -3.20 -1.33 0.00 0.00 177.39 173.27 2fwg n ASN 506 N -0.43 -1.53 -4.77 -1.43 2.85 -0.56 -4.96 115.26 104.43 2fwg n ASN 506 Ca 0.19 -0.89 -0.39 0.00 -0.11 0.00 0.00 54.58 53.37 2fwg n ASN 506 Cb 0.28 -3.60 -0.06 0.00 1.24 0.00 0.00 39.78 37.64 2fwg n ASN 506 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 2fwg s VAL 507 N -3.69 4.67 -0.03 3.44 1.01 -0.27 -4.98 120.40 120.54 2fwg s VAL 507 Ca 0.15 1.53 0.19 0.00 0.00 0.00 0.00 61.98 63.85 2fwg s VAL 507 Cb -0.08 -4.06 -0.30 0.00 0.00 0.00 0.00 36.38 31.95 2fwg s VAL 507 CO 0.85 0.44 0.42 0.18 0.00 0.00 0.00 175.10 176.99 2fwg n LEU 508 N 2.32 0.00 0.00 3.92 7.99 -1.26 -4.74 117.00 125.23 2fwg n LEU 508 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.95 2fwg n LEU 508 Cb 0.50 0.01 0.00 0.00 -0.11 0.00 0.00 43.42 43.82 2fwg n LEU 508 CO 0.45 0.01 0.00 0.61 -1.51 0.00 0.00 177.39 176.95 2fwg n GLY 509 N 1.42 -0.15 3.69 -0.72 0.00 -1.26 -5.16 105.19 103.00 2fwg n GLY 509 Ca -0.04 -0.99 -0.29 0.00 0.00 0.00 0.00 46.02 44.70 2fwg n GLY 509 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2fwg s LEU 510 N 0.00 3.44 0.49 0.99 1.02 -1.26 -4.03 118.68 119.32 2fwg s LEU 510 Ca 0.00 -0.22 -0.19 0.00 0.02 0.00 0.00 54.13 53.74 2fwg s LEU 510 Cb 0.00 -2.16 -0.08 0.00 0.02 0.00 0.00 46.19 43.97 2fwg s LEU 510 CO 0.00 0.15 1.01 -2.16 0.02 0.00 0.00 176.35 175.37 2fwg s PRO 511 N -2.46 3.89 -0.01 1.29 0.04 -1.26 -4.98 135.00 131.50 2fwg s PRO 511 Ca 0.26 1.21 -0.00 0.00 0.04 0.00 0.00 61.00 62.51 2fwg s PRO 511 Cb -0.11 -2.12 0.01 0.00 0.04 0.00 0.00 34.50 32.33 2fwg s PRO 511 CO 0.18 -0.34 0.03 0.99 0.04 0.00 0.00 177.00 177.90 2fwg s THR 512 N -2.20 -0.03 -0.11 1.26 2.01 -1.25 -4.21 115.64 111.12 2fwg s THR 512 Ca 0.64 0.10 0.01 0.00 0.31 0.00 0.00 61.69 62.75 2fwg s THR 512 Cb -0.13 -0.06 0.02 0.00 0.01 0.00 0.00 72.50 72.34 2fwg s THR 512 CO 0.22 0.04 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.42 2fwg s ILE 513 N 0.50 1.41 0.06 1.82 1.01 0.15 -1.20 121.20 124.94 2fwg s ILE 513 Ca -0.04 -0.58 0.03 0.00 0.00 0.00 0.00 60.65 60.05 2fwg s ILE 513 Cb -0.06 -1.30 -0.04 0.00 0.01 0.00 0.00 42.46 41.07 2fwg s ILE 513 CO -0.01 0.42 0.04 -0.76 0.00 0.00 0.00 174.94 174.63 2fwg s LEU 514 N 1.05 3.64 -0.05 2.97 1.02 -0.03 -1.13 118.68 126.15 2fwg s LEU 514 Ca -0.06 -0.05 0.03 0.00 0.02 0.00 0.00 54.13 54.08 2fwg s LEU 514 Cb -0.15 -2.27 0.00 0.00 0.02 0.00 0.00 46.19 43.79 2fwg s LEU 514 CO -0.02 0.21 -0.15 -0.36 0.02 0.00 0.00 176.35 176.05 2fwg s PHE 515 N -1.28 1.60 -0.03 0.29 0.08 -1.26 -0.59 117.98 116.79 2fwg s PHE 515 Ca 0.25 -0.53 0.06 0.00 0.12 0.00 0.00 56.93 56.84 2fwg s PHE 515 Cb -0.12 -1.12 -0.02 0.00 -0.57 0.00 0.00 43.02 41.19 2fwg s PHE 515 CO 0.18 -0.22 -0.22 -0.06 -0.10 0.00 0.00 175.22 174.79 2fwg s PHE 516 N 0.33 2.46 0.97 0.36 0.40 -0.06 -2.21 117.98 120.24 2fwg s PHE 516 Ca -0.09 -0.36 -0.17 0.00 -0.60 0.00 0.00 56.93 55.71 2fwg s PHE 516 Cb -0.13 -1.55 0.23 0.00 0.51 0.00 0.00 43.02 42.07 2fwg s PHE 516 CO 0.03 0.02 1.23 -0.40 0.70 0.00 0.00 175.22 176.81 2fwg n ASP 517 N 2.43 -0.26 0.00 1.36 5.68 -0.23 -1.25 116.55 124.28 2fwg n ASP 517 Ca -0.16 -1.41 0.04 0.00 -0.50 0.00 0.00 54.79 52.76 2fwg n ASP 517 Cb 0.51 -0.97 0.22 0.00 -1.14 0.00 0.00 41.12 39.74 2fwg n ASP 517 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2fwg n GLY 518 N -3.48 -0.68 0.70 6.12 0.00 -1.26 -0.97 105.19 105.61 2fwg n GLY 518 Ca 0.16 -0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.26 2fwg n GLY 518 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2fwg n GLN 519 N -1.37 1.75 -0.41 1.61 1.13 -1.26 0.16 117.38 118.97 2fwg n GLN 519 Ca 0.03 -1.40 0.00 0.00 -1.94 0.00 0.00 57.00 53.69 2fwg n GLN 519 Cb 0.09 -1.47 0.00 0.00 0.11 0.00 0.00 30.24 28.97 2fwg n GLN 519 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2fwg n GLY 520 N 1.36 0.75 3.73 1.08 0.00 -0.14 -4.97 105.19 107.00 2fwg n GLY 520 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 2fwg n GLY 520 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2fwg s GLN 521 N -0.59 4.35 0.24 1.61 0.74 -1.26 -4.76 119.66 120.00 2fwg s GLN 521 Ca 0.00 0.62 -0.30 0.00 0.05 0.00 0.00 55.36 55.74 2fwg s GLN 521 Cb 0.00 -3.42 -0.09 0.00 1.10 0.00 0.00 33.01 30.60 2fwg s GLN 521 CO 0.00 0.18 0.99 -2.00 -0.55 0.00 0.00 175.29 173.91 2fwg s GLU 522 N 0.49 4.78 -0.39 1.67 2.12 -1.26 -1.06 118.70 125.05 2fwg s GLU 522 Ca 0.30 1.58 -0.03 0.00 0.36 0.00 0.00 54.97 57.18 2fwg s GLU 522 Cb -0.16 -3.26 0.10 0.00 0.26 0.00 0.00 34.13 31.06 2fwg s GLU 522 CO 0.14 0.41 0.18 -1.01 -0.54 0.00 0.00 175.26 174.43 2fwg s HIS 523 N -1.08 3.54 0.52 5.30 3.76 -0.94 -4.98 115.29 121.41 2fwg s HIS 523 Ca 0.42 -2.31 0.18 0.00 -0.15 0.00 0.00 55.06 53.20 2fwg s HIS 523 Cb -0.28 -3.06 1.30 0.00 1.11 0.00 0.00 32.58 31.66 2fwg s HIS 523 CO 0.34 -0.94 2.14 -1.35 -0.85 0.00 0.00 174.74 174.08 2fwg h PRO 524 N 8.05 0.00 0.00 8.40 0.11 -1.96 -0.99 132.00 145.62 2fwg h PRO 524 Ca -0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.97 2fwg h PRO 524 Cb 1.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.16 2fwg h PRO 524 CO 0.68 0.03 0.00 -0.56 -0.21 0.00 0.00 178.00 177.93 2fwg h GLN 525 N 0.00 0.00 -0.00 1.05 -0.00 -1.98 -0.95 115.11 113.23 2fwg h GLN 525 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 2fwg h GLN 525 Cb 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.53 2fwg h GLN 525 CO 0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 178.83 178.64 2fwg n ALA 526 N -1.95 2.82 -1.77 0.06 0.00 -0.37 -4.90 120.51 114.40 2fwg n ALA 526 Ca -0.01 -0.21 -0.41 0.00 0.00 0.00 0.00 53.44 52.80 2fwg n ALA 526 Cb 0.11 -1.33 -0.00 0.00 0.00 0.00 0.00 19.45 18.23 2fwg n ALA 526 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2fwg n ARG 527 N -1.42 2.72 -4.03 0.00 1.74 -0.36 -4.71 116.66 110.60 2fwg n ARG 527 Ca 0.08 0.96 -0.35 0.00 -0.77 0.00 0.00 57.85 57.77 2fwg n ARG 527 Cb 0.33 -2.71 -0.12 0.00 -1.02 0.00 0.00 32.46 28.94 2fwg n ARG 527 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2fwg s VAL 528 N -0.75 4.32 -0.04 1.55 1.01 -0.28 -4.95 120.40 121.26 2fwg s VAL 528 Ca 0.57 -0.19 0.06 0.00 0.00 0.00 0.00 61.98 62.41 2fwg s VAL 528 Cb -0.48 -2.96 0.09 0.00 0.00 0.00 0.00 36.38 33.03 2fwg s VAL 528 CO 0.59 0.43 0.95 0.35 0.00 0.00 0.00 175.10 177.41 2fwg n THR 529 N 4.06 0.85 -4.01 3.92 -2.24 -1.26 -0.67 114.28 114.92 2fwg n THR 529 Ca -0.17 -0.96 -0.10 0.00 -2.27 0.00 0.00 64.05 60.55 2fwg n THR 529 Cb 0.52 0.38 -0.05 0.00 -2.10 0.00 0.00 70.33 69.08 2fwg n THR 529 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2fwg s GLY 530 N -1.37 0.73 0.38 3.38 0.00 -1.26 -4.45 107.32 104.73 2fwg s GLY 530 Ca 0.10 -1.01 -0.27 0.00 0.00 0.00 0.00 44.72 43.53 2fwg s GLY 530 CO 0.01 -0.70 1.40 0.33 0.00 0.00 0.00 173.10 174.15 2fwg n PHE 531 N -0.42 2.67 -4.40 1.90 7.35 -1.26 -4.98 117.46 118.32 2fwg n PHE 531 Ca -0.01 0.48 -0.20 0.00 -0.76 0.00 0.00 57.45 56.95 2fwg n PHE 531 Cb 0.62 -2.48 -0.15 0.00 0.35 0.00 0.00 39.48 37.82 2fwg n PHE 531 CO 0.00 0.00 0.00 -1.64 -0.76 0.00 0.00 176.76 174.36 2fwg s MET 532 N -2.08 0.97 1.08 -4.13 -1.94 -1.26 -5.09 119.30 106.85 2fwg s MET 532 Ca 0.55 -0.32 -0.18 0.00 -1.71 0.00 0.00 55.69 54.04 2fwg s MET 532 Cb -0.50 -0.90 0.24 0.00 2.01 0.00 0.00 34.83 35.68 2fwg s MET 532 CO 0.62 0.12 1.22 0.16 -0.01 0.00 0.00 175.02 177.13 2fwg s ASP 533 N 0.15 2.00 0.14 3.03 1.47 -1.26 -4.65 116.67 117.55 2fwg s ASP 533 Ca -0.03 0.45 -0.16 0.00 1.18 0.00 0.00 52.55 53.99 2fwg s ASP 533 Cb -0.08 -0.59 0.01 0.00 -0.34 0.00 0.00 42.92 41.92 2fwg s ASP 533 CO 0.00 -3.44 1.73 0.00 0.68 0.00 0.00 175.17 174.15 2fwg h ALA 534 N -2.12 0.53 -0.33 2.11 0.00 -1.88 0.12 119.26 117.71 2fwg h ALA 534 Ca -0.45 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.35 2fwg h ALA 534 Cb 1.26 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 2fwg h ALA 534 CO 0.36 0.08 0.14 1.49 0.00 0.00 0.00 179.25 181.32 2fwg h GLU 535 N 0.53 0.48 -0.37 0.00 4.81 -1.95 -0.10 114.58 117.99 2fwg h GLU 535 Ca 0.14 -0.08 -0.07 0.00 -0.13 0.00 0.00 59.36 59.22 2fwg h GLU 535 Cb 0.09 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 2fwg h GLU 535 CO -0.02 0.48 -0.05 1.15 -0.73 0.00 0.00 179.01 179.84 2fwg h THR 536 N 0.38 1.27 -0.64 0.32 2.02 -1.86 -1.62 112.91 112.78 2fwg h THR 536 Ca 0.11 -1.09 -0.06 0.00 0.77 0.00 0.00 66.41 66.14 2fwg h THR 536 Cb 0.17 1.23 -0.03 0.00 -1.74 0.00 0.00 68.15 67.78 2fwg h THR 536 CO -0.01 0.36 0.18 0.15 0.37 0.00 0.00 175.52 176.57 2fwg h PHE 537 N 0.49 1.05 -0.79 3.16 3.57 -0.66 -0.72 116.94 123.04 2fwg h PHE 537 Ca 0.10 -0.11 -0.03 0.00 3.53 0.00 0.00 57.97 61.45 2fwg h PHE 537 Cb 0.54 -0.30 -0.04 0.00 2.79 0.00 0.00 35.95 38.95 2fwg h PHE 537 CO 0.04 0.86 0.37 1.03 -2.23 0.00 0.00 178.31 178.39 2fwg h SER 538 N 0.93 1.05 -0.77 0.41 0.87 -0.87 -0.10 113.55 115.07 2fwg h SER 538 Ca 0.20 -0.14 -0.04 0.00 -1.23 0.00 0.00 61.79 60.58 2fwg h SER 538 Cb 0.32 -0.27 -0.03 0.00 -0.44 0.00 0.00 62.40 61.98 2fwg h SER 538 CO -0.00 0.90 0.32 0.00 -0.53 0.00 0.00 176.83 177.52 2fwg h ALA 539 N 1.19 1.00 -0.75 6.23 0.00 -1.11 -1.37 119.26 124.45 2fwg h ALA 539 Ca 0.27 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 2fwg h ALA 539 Cb 0.14 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 2fwg h ALA 539 CO -0.03 0.62 0.46 1.25 0.00 0.00 0.00 179.25 181.54 2fwg h HIS 540 N 1.11 0.98 -0.64 0.00 6.17 -0.22 -0.61 115.15 121.94 2fwg h HIS 540 Ca 0.26 0.00 -0.06 0.00 0.71 0.00 0.00 60.37 61.28 2fwg h HIS 540 Cb 0.20 -0.32 -0.03 0.00 2.52 0.00 0.00 27.41 29.78 2fwg h HIS 540 CO 0.02 0.65 0.15 -0.07 0.71 0.00 0.00 177.93 179.39 2fwg h LEU 541 N 1.02 0.98 -0.63 0.26 3.38 -0.69 -2.77 115.31 116.86 2fwg h LEU 541 Ca 0.27 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 2fwg h LEU 541 Cb -0.05 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.42 2fwg h LEU 541 CO -0.05 0.96 0.21 -0.09 0.09 0.00 0.00 178.44 179.56 2fwg h ARG 542 N 0.95 0.97 -2.42 1.13 2.43 -0.93 -3.52 114.38 112.99 2fwg h ARG 542 Ca 0.20 -0.20 -0.70 0.00 -0.81 0.00 0.00 59.98 58.47 2fwg h ARG 542 Cb 0.37 -0.14 -0.16 0.00 -0.42 0.00 0.00 29.97 29.62 2fwg h ARG 542 CO 0.00 0.84 1.79 -0.25 -1.51 0.00 0.00 179.97 180.84 2fwg n ASP 543 N -4.39 7.63 -3.82 -3.80 10.43 -0.27 -5.11 116.55 117.23 2fwg n ASP 543 Ca 0.04 -3.25 -0.30 0.00 2.57 0.00 0.00 54.79 53.85 2fwg n ASP 543 Cb 0.20 -1.30 -0.15 0.00 1.84 0.00 0.00 41.12 41.71 2fwg n ASP 543 CO 0.00 0.00 0.00 -1.00 -1.07 0.00 0.00 177.20 175.13 2fwg s HIS 547 N -1.78 2.18 -0.20 1.24 3.76 -1.26 -5.07 115.29 114.16 2fwg s HIS 547 Ca 0.53 -1.94 -0.04 0.00 -0.15 0.00 0.00 55.06 53.46 2fwg s HIS 547 Cb 0.23 -1.89 -0.02 0.00 1.11 0.00 0.00 32.58 32.01 2fwg s HIS 547 CO -0.14 -0.86 -0.02 -1.01 -0.85 0.00 0.00 174.74 171.87 2fwg s HIS 548 N 1.45 3.01 -1.44 1.40 3.76 -1.26 -4.67 115.29 117.54 2fwg s HIS 548 Ca 0.07 -0.56 -0.05 0.00 -0.15 0.00 0.00 55.06 54.37 2fwg s HIS 548 Cb -0.18 -2.07 0.04 0.00 1.11 0.00 0.00 32.58 31.48 2fwg s HIS 548 CO -0.18 -0.29 0.65 0.72 -0.85 0.00 0.00 174.74 174.79 2fwg n HIS 549 N 4.28 -1.85 -3.52 1.40 8.25 -1.26 -1.52 115.22 121.00 2fwg n HIS 549 Ca -0.17 0.81 -0.21 0.00 -0.26 0.00 0.00 57.72 57.89 2fwg n HIS 549 Cb 0.52 -3.87 0.08 0.00 1.12 0.00 0.00 29.99 27.84 2fwg n HIS 549 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2fwg n HIS 550 N -4.41 -2.59 -0.20 4.41 8.25 -1.26 -5.36 115.22 114.04 2fwg n HIS 550 Ca -0.20 0.98 0.00 0.00 -0.26 0.00 0.00 57.72 58.25 2fwg n HIS 550 Cb 0.63 -5.05 0.00 0.00 1.12 0.00 0.00 29.99 26.69 2fwg n HIS 550 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70