#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2w5e s HIS -6 N 0.00 0.98 -0.95 2.13 3.76 -1.26 -5.09 115.29 114.85 2w5e s HIS -6 Ca 0.00 -0.66 -0.20 0.00 -0.15 0.00 0.00 55.06 54.06 2w5e s HIS -6 Cb 0.00 -0.55 0.11 0.00 1.11 0.00 0.00 32.58 33.26 2w5e s HIS -6 CO 0.00 -0.03 1.21 -1.01 -0.85 0.00 0.00 174.74 174.06 2w5e s HIS -5 N -2.37 2.98 -0.97 1.40 3.76 -1.26 -4.96 115.29 113.87 2w5e s HIS -5 Ca 0.03 -1.26 -0.17 0.00 -0.15 0.00 0.00 55.06 53.51 2w5e s HIS -5 Cb -0.03 -4.39 0.16 0.00 1.11 0.00 0.00 32.58 29.43 2w5e s HIS -5 CO -0.00 -1.60 1.12 -3.38 -0.85 0.00 0.00 174.74 170.03 2w5e s HIS -4 N 3.24 3.34 0.47 1.40 -3.43 -1.26 -4.99 115.29 114.07 2w5e s HIS -4 Ca 0.36 -1.68 0.02 0.00 -0.80 0.00 0.00 55.06 52.97 2w5e s HIS -4 Cb -0.04 -4.20 0.01 0.00 -1.43 0.00 0.00 32.58 26.93 2w5e s HIS -4 CO -0.10 -1.37 0.68 -1.01 -2.00 0.00 0.00 174.74 170.94 2w5e s HIS -3 N 1.92 3.04 0.17 0.38 3.76 -1.26 -5.06 115.29 118.23 2w5e s HIS -3 Ca 0.32 0.03 0.02 0.00 -0.15 0.00 0.00 55.06 55.28 2w5e s HIS -3 Cb -0.05 -2.45 -0.05 0.00 1.11 0.00 0.00 32.58 31.14 2w5e s HIS -3 CO -0.08 -0.51 -0.00 -1.01 -0.85 0.00 0.00 174.74 172.28 2w5e s HIS -2 N -2.57 1.21 -1.40 1.40 3.76 0.63 -4.89 115.29 113.44 2w5e s HIS -2 Ca 0.52 -1.00 -0.06 0.00 -0.15 0.00 0.00 55.06 54.37 2w5e s HIS -2 Cb -0.10 -0.69 0.03 0.00 1.11 0.00 0.00 32.58 32.93 2w5e s HIS -2 CO 0.37 -0.19 0.83 0.72 -0.85 0.00 0.00 174.74 175.62 2w5e n HIS -1 N -0.24 -2.11 -2.64 1.40 8.25 -1.26 -2.36 115.22 116.26 2w5e n HIS -1 Ca -0.07 0.87 -0.43 0.00 -0.26 0.00 0.00 57.72 57.84 2w5e n HIS -1 Cb 0.63 -4.26 -0.02 0.00 1.12 0.00 0.00 29.99 27.46 2w5e n HIS -1 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2w5e s ILE 432 N -3.51 4.48 -0.65 1.59 1.01 -1.26 -4.33 121.20 118.54 2w5e s ILE 432 Ca 0.29 1.67 0.03 0.00 0.00 0.00 0.00 60.65 62.65 2w5e s ILE 432 Cb -0.14 -4.43 0.16 0.00 0.01 0.00 0.00 42.46 38.05 2w5e s ILE 432 CO 0.82 -0.53 0.43 -0.54 0.00 0.00 0.00 174.94 175.12 2w5e s LYS 433 N 3.72 2.37 0.56 2.79 1.02 -1.26 -4.94 119.74 124.00 2w5e s LYS 433 Ca 0.45 -3.02 0.26 0.00 0.02 0.00 0.00 55.97 53.69 2w5e s LYS 433 Cb -0.12 -3.46 1.61 0.00 -0.52 0.00 0.00 37.83 35.34 2w5e s LYS 433 CO 0.17 -1.21 2.18 -1.35 -0.92 0.00 0.00 175.35 174.22 2w5e h PRO 434 N 5.98 0.00 0.00 -1.68 0.11 -1.99 -2.03 132.00 132.39 2w5e h PRO 434 Ca 0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.16 2w5e h PRO 434 Cb 0.82 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.93 2w5e h PRO 434 CO 0.72 0.04 0.00 0.41 -0.21 0.00 0.00 178.00 178.96 2w5e n GLY 435 N -1.20 -0.97 0.36 -0.55 0.00 -1.26 -1.86 105.19 99.71 2w5e n GLY 435 Ca -0.03 0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.14 2w5e n GLY 435 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2w5e n ALA 436 N -1.61 2.57 -2.81 4.61 0.00 -0.76 -3.83 120.51 118.68 2w5e n ALA 436 Ca 0.02 -0.39 -0.32 0.00 0.00 0.00 0.00 53.44 52.75 2w5e n ALA 436 Cb 0.14 -1.20 -0.05 0.00 0.00 0.00 0.00 19.45 18.34 2w5e n ALA 436 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2w5e s LEU 437 N -1.74 4.34 0.24 0.00 1.43 -0.78 -1.09 118.68 121.08 2w5e s LEU 437 Ca 0.35 0.44 0.01 0.00 -1.03 0.00 0.00 54.13 53.89 2w5e s LEU 437 Cb 0.18 -2.94 -0.04 0.00 0.03 0.00 0.00 46.19 43.42 2w5e s LEU 437 CO 0.29 0.17 0.18 0.00 0.23 0.00 0.00 176.35 177.22 2w5e s VAL 439 N -3.96 3.51 -0.14 0.00 1.01 -0.83 -1.09 120.40 118.91 2w5e s VAL 439 Ca 0.39 -0.51 -0.07 0.00 0.00 0.00 0.00 61.98 61.79 2w5e s VAL 439 Cb 0.06 -2.49 -0.04 0.00 0.00 0.00 0.00 36.38 33.91 2w5e s VAL 439 CO 0.16 0.53 0.12 -0.63 0.00 0.00 0.00 175.10 175.28 2w5e s ILE 440 N 0.06 5.30 -0.08 2.22 -1.09 0.59 -0.51 121.20 127.69 2w5e s ILE 440 Ca -0.02 0.14 0.03 0.00 -2.23 0.00 0.00 60.65 58.56 2w5e s ILE 440 Cb -0.14 -3.33 0.01 0.00 -1.58 0.00 0.00 42.46 37.42 2w5e s ILE 440 CO 0.03 0.57 -0.17 -0.62 -1.23 0.00 0.00 174.94 173.53 2w5e s ASP 441 N -0.66 2.34 0.29 3.58 2.15 0.13 -1.41 116.67 123.09 2w5e s ASP 441 Ca 0.13 -0.41 0.03 0.00 0.43 0.00 0.00 52.55 52.73 2w5e s ASP 441 Cb -0.12 -1.07 -0.06 0.00 -0.30 0.00 0.00 42.92 41.37 2w5e s ASP 441 CO 0.02 0.08 0.05 0.42 -0.17 0.00 0.00 175.17 175.57 2w5e s THR 442 N 0.59 1.03 0.56 1.71 -4.23 0.11 -1.18 115.64 114.23 2w5e s THR 442 Ca -0.15 -2.01 0.26 0.00 -1.18 0.00 0.00 61.69 58.61 2w5e s THR 442 Cb -0.16 -2.65 0.36 0.00 1.34 0.00 0.00 72.50 71.39 2w5e s THR 442 CO 0.05 -0.08 2.06 -0.65 -0.54 0.00 0.00 174.62 175.46 2w5e h PRO 443 N 2.26 0.00 0.00 3.99 0.11 -1.97 -2.69 132.00 133.70 2w5e h PRO 443 Ca -0.40 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.70 2w5e h PRO 443 Cb 1.24 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 2w5e h PRO 443 CO 0.66 0.00 -0.48 0.93 -0.21 0.00 0.00 178.00 178.91 2w5e h GLU 444 N 0.00 0.00 0.00 1.05 3.07 -1.95 -3.50 114.58 113.25 2w5e h GLU 444 Ca 0.14 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.00 2w5e h GLU 444 Cb 0.64 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.55 2w5e h GLU 444 CO -0.00 0.05 0.00 0.41 -1.40 0.00 0.00 179.01 178.07 2w5e n GLY 445 N 1.15 -0.07 3.37 -3.84 0.00 -1.01 -5.16 105.19 99.64 2w5e n GLY 445 Ca 0.02 -1.42 -0.22 0.00 0.00 0.00 0.00 46.02 44.40 2w5e n GLY 445 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2w5e s LYS 446 N -2.00 1.40 0.32 1.61 1.02 -1.26 -0.71 119.74 120.11 2w5e s LYS 446 Ca 0.00 -1.54 -0.12 0.00 0.02 0.00 0.00 55.97 54.33 2w5e s LYS 446 Cb 0.00 -1.41 0.02 0.00 -0.52 0.00 0.00 37.83 35.91 2w5e s LYS 446 CO 0.00 0.27 0.60 0.20 -0.92 0.00 0.00 175.35 175.51 2w5e s GLY 447 N -3.01 0.65 -0.05 -3.33 0.00 -0.50 -4.93 107.32 96.15 2w5e s GLY 447 Ca 0.21 -0.93 -0.14 0.00 0.00 0.00 0.00 44.72 43.86 2w5e s GLY 447 CO 0.09 -0.56 0.36 -1.59 0.00 0.00 0.00 173.10 171.40 2w5e s THR 448 N -3.25 5.15 0.34 0.90 2.01 -0.06 -0.30 115.64 120.43 2w5e s THR 448 Ca 0.21 0.72 0.08 0.00 0.31 0.00 0.00 61.69 63.01 2w5e s THR 448 Cb -0.03 -3.67 -0.07 0.00 0.01 0.00 0.00 72.50 68.75 2w5e s THR 448 CO 0.12 0.53 -0.06 -0.83 -0.69 0.00 0.00 174.62 173.69 2w5e s GLY 449 N -0.66 2.16 0.01 4.40 0.00 -0.25 -4.05 107.32 108.93 2w5e s GLY 449 Ca 0.22 -2.08 -0.04 0.00 0.00 0.00 0.00 44.72 42.82 2w5e s GLY 449 CO 0.10 -1.99 0.06 -0.11 0.00 0.00 0.00 173.10 171.16 2w5e s PHE 450 N -2.75 0.12 -0.05 1.90 -0.71 -0.18 -1.11 117.98 115.20 2w5e s PHE 450 Ca 0.32 -0.26 -0.25 0.00 -1.04 0.00 0.00 56.93 55.71 2w5e s PHE 450 Cb 0.04 -0.10 -0.04 0.00 -1.21 0.00 0.00 43.02 41.72 2w5e s PHE 450 CO 0.16 -0.22 0.75 -0.06 -1.34 0.00 0.00 175.22 174.51 2w5e s PHE 451 N -1.24 3.60 -0.17 3.49 0.08 -0.25 0.04 117.98 123.52 2w5e s PHE 451 Ca -0.13 1.33 -0.06 0.00 0.12 0.00 0.00 56.93 58.18 2w5e s PHE 451 Cb -0.08 -2.85 0.08 0.00 -0.57 0.00 0.00 43.02 39.59 2w5e s PHE 451 CO 0.00 0.08 0.36 0.45 -0.10 0.00 0.00 175.22 176.01 2w5e s SER 452 N 0.80 -0.11 1.97 1.36 0.15 -0.68 -0.45 113.70 116.74 2w5e s SER 452 Ca 0.40 0.83 0.00 0.00 0.70 0.00 0.00 55.95 57.88 2w5e s SER 452 Cb -0.18 1.01 0.00 0.00 -1.71 0.00 0.00 66.02 65.14 2w5e s SER 452 CO 0.20 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 175.02 2w5e n GLY 453 N 5.14 3.63 0.96 9.45 0.00 -1.26 -1.53 105.19 121.57 2w5e n GLY 453 Ca -0.11 -0.08 0.10 0.00 0.00 0.00 0.00 46.02 45.93 2w5e n GLY 453 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2w5e n ASN 454 N 5.60 2.82 -4.76 1.61 5.15 -1.26 -4.98 115.26 119.44 2w5e n ASN 454 Ca 0.00 -1.93 -0.23 0.00 -0.60 0.00 0.00 54.58 51.83 2w5e n ASN 454 Cb 0.00 -0.26 -0.06 0.00 -0.53 0.00 0.00 39.78 38.93 2w5e n ASN 454 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 2w5e s ASP 455 N -1.32 4.88 -0.15 1.20 1.01 -0.58 -1.96 116.67 119.74 2w5e s ASP 455 Ca 0.37 -0.66 -0.02 0.00 0.71 0.00 0.00 52.55 52.95 2w5e s ASP 455 Cb 0.20 -0.85 -0.02 0.00 1.01 0.00 0.00 42.92 43.27 2w5e s ASP 455 CO 0.28 -0.27 -0.08 -0.63 0.21 0.00 0.00 175.17 174.68 2w5e s ILE 456 N -2.37 3.41 -0.06 0.77 1.01 0.14 -1.68 121.20 122.42 2w5e s ILE 456 Ca 0.38 -0.52 0.00 0.00 0.00 0.00 0.00 60.65 60.50 2w5e s ILE 456 Cb -0.04 -2.48 -0.03 0.00 0.01 0.00 0.00 42.46 39.92 2w5e s ILE 456 CO 0.23 0.50 -0.03 -0.69 0.00 0.00 0.00 174.94 174.95 2w5e s VAL 457 N 0.55 3.98 0.36 2.92 1.01 0.11 -0.54 120.40 128.79 2w5e s VAL 457 Ca -0.06 -0.43 -0.12 0.00 0.00 0.00 0.00 61.98 61.38 2w5e s VAL 457 Cb -0.15 -2.67 0.03 0.00 0.00 0.00 0.00 36.38 33.59 2w5e s VAL 457 CO 0.03 0.56 0.67 0.28 0.00 0.00 0.00 175.10 176.64 2w5e s THR 458 N -0.89 0.00 0.38 3.92 -1.32 -0.71 -1.01 115.64 116.02 2w5e s THR 458 Ca 0.14 -1.21 -0.25 0.00 -1.21 0.00 0.00 61.69 59.16 2w5e s THR 458 Cb -0.11 -2.74 -0.09 0.00 -1.51 0.00 0.00 72.50 68.05 2w5e s THR 458 CO 0.03 0.00 1.11 0.00 -2.21 0.00 0.00 174.62 173.56 2w5e s ALA 459 N -2.68 3.17 0.36 11.08 0.00 -1.26 0.05 121.76 132.48 2w5e s ALA 459 Ca 0.20 0.86 0.08 0.00 0.00 0.00 0.00 51.96 53.10 2w5e s ALA 459 Cb -0.03 -3.33 0.80 0.00 0.00 0.00 0.00 23.12 20.55 2w5e s ALA 459 CO 0.14 -0.36 1.92 0.00 0.00 0.00 0.00 175.76 177.46 2w5e h ALA 460 N 2.78 1.79 0.00 0.00 0.00 -1.37 -2.01 119.26 120.46 2w5e h ALA 460 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2w5e h ALA 460 Cb 1.22 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2w5e h ALA 460 CO 0.63 0.03 0.00 1.12 0.00 0.00 0.00 179.25 181.04 2w5e h HIS 461 N 0.70 0.00 -0.50 0.00 2.07 -1.92 0.79 115.15 116.29 2w5e h HIS 461 Ca 0.37 0.00 -0.07 0.00 -2.85 0.00 0.00 60.37 57.82 2w5e h HIS 461 Cb 0.50 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.46 2w5e h HIS 461 CO -0.00 0.00 0.03 0.28 -3.07 0.00 0.00 177.93 175.17 2w5e h VAL 462 N 0.00 1.24 0.10 6.12 2.07 -1.74 -3.28 116.25 120.76 2w5e h VAL 462 Ca 0.00 -0.97 -0.29 0.00 0.82 0.00 0.00 66.70 66.26 2w5e h VAL 462 Cb 0.77 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 2w5e h VAL 462 CO 0.00 0.35 -1.51 0.58 0.02 0.00 0.00 177.57 177.01 2w5e h VAL 463 N 0.77 0.93 0.00 2.57 2.07 -1.49 -3.45 116.25 117.65 2w5e h VAL 463 Ca 0.15 -2.36 0.00 0.00 0.82 0.00 0.00 66.70 65.31 2w5e h VAL 463 Cb 0.42 2.61 0.00 0.00 -1.52 0.00 0.00 31.29 32.80 2w5e h VAL 463 CO 0.02 0.69 0.00 0.61 0.02 0.00 0.00 177.57 178.91 2w5e n GLY 464 N 1.75 2.72 0.56 2.17 0.00 0.23 -2.78 105.19 109.84 2w5e n GLY 464 Ca -0.27 -0.26 0.12 0.00 0.00 0.00 0.00 46.02 45.61 2w5e n GLY 464 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2w5e n ASN 465 N 5.81 2.01 -4.77 1.61 3.02 -1.26 -4.96 115.26 116.72 2w5e n ASN 465 Ca 0.00 -1.51 -0.41 0.00 -0.03 0.00 0.00 54.58 52.63 2w5e n ASN 465 Cb 0.00 0.23 -0.01 0.00 -0.61 0.00 0.00 39.78 39.39 2w5e n ASN 465 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 2w5e s ASN 466 N -2.30 6.38 -0.01 6.41 -0.87 -1.12 -4.94 114.94 118.49 2w5e s ASN 466 Ca 0.24 2.99 0.21 0.00 -1.57 0.00 0.00 52.86 54.73 2w5e s ASN 466 Cb 0.19 -2.65 -0.25 0.00 -0.02 0.00 0.00 41.25 38.52 2w5e s ASN 466 CO 0.46 -0.87 0.54 0.35 -2.57 0.00 0.00 177.10 175.01 2w5e n THR 467 N 1.13 0.48 -4.75 1.60 -2.24 -1.26 -4.83 114.28 104.41 2w5e n THR 467 Ca 0.04 -0.59 -0.25 0.00 -2.27 0.00 0.00 64.05 60.98 2w5e n THR 467 Cb 0.39 -0.22 -0.16 0.00 -2.10 0.00 0.00 70.33 68.24 2w5e n THR 467 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 2w5e s PHE 468 N -3.25 1.53 0.21 4.78 0.08 -1.26 -1.06 117.98 119.01 2w5e s PHE 468 Ca -0.07 -0.39 0.08 0.00 0.12 0.00 0.00 56.93 56.68 2w5e s PHE 468 Cb 0.11 -1.02 -0.05 0.00 -0.57 0.00 0.00 43.02 41.49 2w5e s PHE 468 CO 0.87 -0.12 -0.15 0.14 -0.10 0.00 0.00 175.22 175.86 2w5e s VAL 469 N -0.06 1.82 -0.07 -0.44 -7.23 0.15 -4.96 120.40 109.61 2w5e s VAL 469 Ca -0.01 -2.23 -0.15 0.00 -1.81 0.00 0.00 61.98 57.78 2w5e s VAL 469 Cb -0.10 -2.06 -0.05 0.00 0.56 0.00 0.00 36.38 34.73 2w5e s VAL 469 CO 0.01 -0.57 0.40 0.20 -0.31 0.00 0.00 175.10 174.83 2w5e s ASN 470 N -3.32 6.70 -0.10 4.85 0.01 -0.33 -0.65 114.94 122.09 2w5e s ASN 470 Ca 0.23 0.83 0.04 0.00 -0.71 0.00 0.00 52.86 53.25 2w5e s ASN 470 Cb -0.01 -2.25 0.00 0.00 0.41 0.00 0.00 41.25 39.40 2w5e s ASN 470 CO 0.08 0.19 -0.24 -0.69 -1.51 0.00 0.00 177.10 174.93 2w5e s VAL 471 N -0.30 2.05 -0.15 1.60 1.01 0.10 0.21 120.40 124.92 2w5e s VAL 471 Ca 0.23 -1.01 -0.02 0.00 0.00 0.00 0.00 61.98 61.18 2w5e s VAL 471 Cb -0.15 -1.78 -0.02 0.00 0.00 0.00 0.00 36.38 34.43 2w5e s VAL 471 CO 0.11 0.56 -0.08 0.00 0.00 0.00 0.00 175.10 175.68 2w5e s TYR 473 N 0.42 -0.58 -0.98 0.00 5.04 -0.98 -1.96 117.35 118.30 2w5e s TYR 473 Ca -0.07 1.24 -0.06 0.00 -2.44 0.00 0.00 57.07 55.74 2w5e s TYR 473 Cb -0.15 0.23 0.05 0.00 0.35 0.00 0.00 41.96 42.44 2w5e s TYR 473 CO 0.04 -0.35 0.26 0.39 -1.34 0.00 0.00 175.55 174.56 2w5e n GLU 474 N 4.45 -2.78 -0.42 4.97 -0.58 -1.26 -1.75 120.64 123.27 2w5e n GLU 474 Ca -0.21 0.37 0.00 0.00 -0.42 0.00 0.00 57.16 56.90 2w5e n GLU 474 Cb 0.54 -4.99 0.00 0.00 -0.57 0.00 0.00 31.44 26.42 2w5e n GLU 474 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2w5e n GLY 475 N -0.92 0.75 3.45 0.62 0.00 -1.26 -5.06 105.19 102.77 2w5e n GLY 475 Ca -0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 2w5e n GLY 475 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2w5e s LEU 476 N 0.00 2.86 0.01 0.99 2.96 -0.72 -5.12 118.68 119.66 2w5e s LEU 476 Ca 0.00 -0.22 -0.17 0.00 -0.22 0.00 0.00 54.13 53.52 2w5e s LEU 476 Cb 0.00 -1.63 -0.06 0.00 0.50 0.00 0.00 46.19 45.00 2w5e s LEU 476 CO 0.00 0.25 0.47 -0.04 -1.32 0.00 0.00 176.35 175.71 2w5e s MET 477 N -0.14 4.07 0.08 1.98 -1.94 -1.26 -2.32 119.30 119.76 2w5e s MET 477 Ca -0.00 0.53 0.06 0.00 -1.71 0.00 0.00 55.69 54.57 2w5e s MET 477 Cb -0.13 -3.25 -0.03 0.00 2.01 0.00 0.00 34.83 33.43 2w5e s MET 477 CO 0.03 0.61 -0.16 0.71 -0.01 0.00 0.00 175.02 176.21 2w5e s TYR 478 N -0.90 1.38 -0.18 -0.03 2.02 0.72 -4.96 117.35 115.41 2w5e s TYR 478 Ca 0.26 -0.44 -0.15 0.00 -0.37 0.00 0.00 57.07 56.37 2w5e s TYR 478 Cb -0.18 -0.77 -0.04 0.00 -0.40 0.00 0.00 41.96 40.57 2w5e s TYR 478 CO 0.15 0.10 0.35 -2.00 -1.57 0.00 0.00 175.55 172.57 2w5e s GLU 479 N -1.74 4.22 -0.01 -0.62 2.12 -1.26 0.00 118.70 121.41 2w5e s GLU 479 Ca 0.01 0.15 0.04 0.00 0.36 0.00 0.00 54.97 55.53 2w5e s GLU 479 Cb -0.10 -3.48 -0.01 0.00 0.26 0.00 0.00 34.13 30.80 2w5e s GLU 479 CO 0.03 0.10 -0.14 0.00 -0.54 0.00 0.00 175.26 174.71 2w5e s ALA 480 N 0.88 1.18 -0.17 6.30 0.00 0.17 -4.83 121.76 125.30 2w5e s ALA 480 Ca 0.18 -0.60 -0.17 0.00 0.00 0.00 0.00 51.96 51.37 2w5e s ALA 480 Cb -0.14 -0.31 -0.04 0.00 0.00 0.00 0.00 23.12 22.63 2w5e s ALA 480 CO 0.06 0.28 0.42 0.21 0.00 0.00 0.00 175.76 176.73 2w5e s LYS 481 N -0.28 4.24 0.25 0.00 2.20 -1.26 -0.67 119.74 124.21 2w5e s LYS 481 Ca 0.04 0.28 -0.31 0.00 -0.36 0.00 0.00 55.97 55.63 2w5e s LYS 481 Cb -0.06 -3.49 -0.12 0.00 -1.51 0.00 0.00 37.83 32.65 2w5e s LYS 481 CO -0.00 0.05 1.66 0.08 -0.36 0.00 0.00 175.35 176.78 2w5e s VAL 482 N 1.01 2.06 -0.17 4.02 1.01 -0.22 -1.45 120.40 126.67 2w5e s VAL 482 Ca 0.21 0.05 -0.16 0.00 0.00 0.00 0.00 61.98 62.08 2w5e s VAL 482 Cb -0.15 -3.03 -0.05 0.00 0.00 0.00 0.00 36.38 33.15 2w5e s VAL 482 CO 0.08 0.01 -0.31 -1.14 0.00 0.00 0.00 175.10 173.73 2w5e n ARG 483 N 3.14 0.50 -3.79 2.72 0.63 0.95 -4.83 116.66 115.97 2w5e n ARG 483 Ca 0.12 0.25 -0.14 0.00 -0.92 0.00 0.00 57.85 57.16 2w5e n ARG 483 Cb 0.36 -1.43 -0.15 0.00 0.45 0.00 0.00 32.46 31.69 2w5e n ARG 483 CO 0.00 0.00 0.00 -0.47 -2.51 0.00 0.00 177.63 174.65 2w5e s TYR 484 N -2.74 -0.03 -0.43 -0.14 5.04 -0.96 -5.04 117.35 113.04 2w5e s TYR 484 Ca -0.26 0.19 0.01 0.00 -2.44 0.00 0.00 57.07 54.58 2w5e s TYR 484 Cb 0.04 -0.13 0.12 0.00 0.35 0.00 0.00 41.96 42.33 2w5e s TYR 484 CO 0.38 -0.09 0.18 -1.64 -1.34 0.00 0.00 175.55 173.05 2w5e s MET 485 N 0.78 1.85 1.15 4.97 -1.94 -1.26 -2.12 119.30 122.73 2w5e s MET 485 Ca -0.06 -2.10 -0.19 0.00 -1.71 0.00 0.00 55.69 51.62 2w5e s MET 485 Cb -0.09 -3.39 0.27 0.00 2.01 0.00 0.00 34.83 33.64 2w5e s MET 485 CO -0.03 -1.04 1.19 -1.25 -0.01 0.00 0.00 175.02 173.89 2w5e s PRO 486 N 0.59 -0.86 0.20 2.03 0.04 -1.26 -4.98 135.00 130.76 2w5e s PRO 486 Ca 0.12 -0.28 -0.08 0.00 0.04 0.00 0.00 61.00 60.80 2w5e s PRO 486 Cb -0.22 -1.66 0.13 0.00 0.04 0.00 0.00 34.50 32.79 2w5e s PRO 486 CO -0.05 -3.43 1.69 1.49 0.04 0.00 0.00 177.00 176.74 2w5e h GLU 487 N -2.37 1.08 -6.91 4.56 4.81 -1.96 -3.44 114.58 110.34 2w5e h GLU 487 Ca -0.43 -0.30 -0.55 0.00 -0.13 0.00 0.00 59.36 57.95 2w5e h GLU 487 Cb 1.26 -0.12 0.18 0.00 0.63 0.00 0.00 28.75 30.70 2w5e h GLU 487 CO 0.31 1.00 0.01 1.63 -0.73 0.00 0.00 179.01 181.24 2w5e n LYS 488 N -4.21 0.42 -0.81 1.92 5.02 -1.26 -4.86 118.16 114.38 2w5e n LYS 488 Ca 0.04 0.20 -0.09 0.00 -2.02 0.00 0.00 58.31 56.44 2w5e n LYS 488 Cb 0.30 -2.16 -0.12 0.00 -0.02 0.00 0.00 35.03 33.03 2w5e n LYS 488 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2w5e n ASP 489 N -1.55 4.77 -4.23 4.39 8.00 -1.26 -4.82 116.55 121.85 2w5e n ASP 489 Ca 0.12 -2.37 -0.28 0.00 0.71 0.00 0.00 54.79 52.98 2w5e n ASP 489 Cb 0.50 -1.23 -0.16 0.00 -0.02 0.00 0.00 41.12 40.21 2w5e n ASP 489 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2w5e s ILE 490 N 0.97 1.69 -0.09 0.53 1.01 -1.26 -1.12 121.20 122.93 2w5e s ILE 490 Ca 0.48 -0.91 0.03 0.00 0.00 0.00 0.00 60.65 60.24 2w5e s ILE 490 Cb 0.23 -1.40 -0.02 0.00 0.01 0.00 0.00 42.46 41.28 2w5e s ILE 490 CO 0.00 0.48 -0.17 0.00 0.00 0.00 0.00 174.94 175.25 2w5e s ALA 491 N -0.49 2.50 -0.25 9.38 0.00 0.11 -4.15 121.76 128.86 2w5e s ALA 491 Ca 0.08 -0.96 -0.05 0.00 0.00 0.00 0.00 51.96 51.04 2w5e s ALA 491 Cb -0.08 -0.99 0.00 0.00 0.00 0.00 0.00 23.12 22.05 2w5e s ALA 491 CO -0.01 0.38 -0.00 -0.06 0.00 0.00 0.00 175.76 176.08 2w5e s PHE 492 N -0.09 3.05 -0.09 0.00 0.08 -0.90 -1.73 117.98 118.28 2w5e s PHE 492 Ca -0.03 -1.03 -0.01 0.00 0.12 0.00 0.00 56.93 55.98 2w5e s PHE 492 Cb -0.14 -2.15 -0.03 0.00 -0.57 0.00 0.00 43.02 40.13 2w5e s PHE 492 CO 0.04 -0.58 -0.05 0.42 -0.10 0.00 0.00 175.22 174.95 2w5e s ILE 493 N 1.47 3.84 -0.07 0.64 1.01 0.30 -0.03 121.20 128.35 2w5e s ILE 493 Ca 0.04 -0.41 -0.30 0.00 0.00 0.00 0.00 60.65 59.98 2w5e s ILE 493 Cb -0.16 -2.60 -0.04 0.00 0.01 0.00 0.00 42.46 39.67 2w5e s ILE 493 CO -0.01 0.57 1.42 -0.89 0.00 0.00 0.00 174.94 176.03 2w5e s THR 494 N -0.50 3.88 0.10 2.92 2.01 -0.53 0.25 115.64 123.77 2w5e s THR 494 Ca 0.08 1.15 -0.31 0.00 0.31 0.00 0.00 61.69 62.92 2w5e s THR 494 Cb -0.12 -3.74 -0.09 0.00 0.01 0.00 0.00 72.50 68.56 2w5e s THR 494 CO 0.02 -0.06 1.64 0.00 -0.69 0.00 0.00 174.62 175.53 2w5e n PRO 496 N 5.13 1.34 0.22 0.00 -0.02 -1.26 -4.88 135.00 135.54 2w5e n PRO 496 Ca 0.15 0.47 0.07 0.00 -2.02 0.00 0.00 63.50 62.18 2w5e n PRO 496 Cb 0.40 -1.86 0.60 0.00 -0.02 0.00 0.00 33.50 32.61 2w5e n PRO 496 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 2w5e h GLY 497 N 2.22 0.08 -0.06 -1.23 0.00 -1.96 -2.04 103.07 100.08 2w5e h GLY 497 Ca -0.40 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 46.90 2w5e h GLY 497 CO 0.62 0.03 -0.15 2.09 0.00 0.00 0.00 176.54 179.13 2w5e n ASP 498 N -4.51 1.23 -4.48 0.19 5.75 -1.26 -4.76 116.55 108.71 2w5e n ASP 498 Ca -0.02 -1.14 -0.43 0.00 -0.01 0.00 0.00 54.79 53.18 2w5e n ASP 498 Cb 0.10 0.08 -0.07 0.00 -1.03 0.00 0.00 41.12 40.20 2w5e n ASP 498 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 2w5e s LEU 499 N -2.30 4.83 -0.52 -2.12 2.96 -0.77 -5.02 118.68 115.75 2w5e s LEU 499 Ca 0.30 -0.69 -0.04 0.00 -0.22 0.00 0.00 54.13 53.48 2w5e s LEU 499 Cb 0.20 -2.49 0.14 0.00 0.50 0.00 0.00 46.19 44.54 2w5e s LEU 499 CO 0.44 -0.74 0.33 -1.00 -1.32 0.00 0.00 176.35 174.07 2w5e s HIS 500 N 2.46 3.50 0.49 5.38 3.76 -1.26 -4.77 115.29 124.86 2w5e s HIS 500 Ca 0.16 -2.49 -0.21 0.00 -0.15 0.00 0.00 55.06 52.37 2w5e s HIS 500 Cb -0.17 -3.25 -0.07 0.00 1.11 0.00 0.00 32.58 30.19 2w5e s HIS 500 CO 0.14 -0.92 1.10 -1.25 -0.85 0.00 0.00 174.74 172.97 2w5e s PRO 501 N 0.61 3.66 0.29 8.40 0.04 -1.26 -4.94 135.00 141.80 2w5e s PRO 501 Ca 0.12 1.56 0.25 0.00 0.04 0.00 0.00 61.00 62.98 2w5e s PRO 501 Cb -0.22 -2.17 0.70 0.00 0.04 0.00 0.00 34.50 32.85 2w5e s PRO 501 CO -0.04 -0.59 1.73 1.79 0.04 0.00 0.00 177.00 179.94 2w5e h THR 502 N 1.56 0.00 -3.22 1.26 1.35 -1.99 -3.46 112.91 108.41 2w5e h THR 502 Ca -0.50 -0.61 -0.12 0.00 -0.55 0.00 0.00 66.41 64.64 2w5e h THR 502 Cb 1.24 1.60 -0.19 0.00 -1.73 0.00 0.00 68.15 69.07 2w5e h THR 502 CO 0.59 0.00 -0.32 0.00 -0.25 0.00 0.00 175.52 175.54 2w5e s ALA 503 N -3.16 -0.64 0.06 6.62 0.00 -1.25 -4.97 121.76 118.43 2w5e s ALA 503 Ca 0.09 0.12 0.03 0.00 0.00 0.00 0.00 51.96 52.20 2w5e s ALA 503 Cb 0.10 0.15 -0.03 0.00 0.00 0.00 0.00 23.12 23.34 2w5e s ALA 503 CO 0.60 -0.29 -0.09 1.03 0.00 0.00 0.00 175.76 177.01 2w5e s ARG 504 N -1.70 0.67 -0.14 0.00 0.52 -1.26 -3.97 118.95 113.07 2w5e s ARG 504 Ca -0.11 -0.93 -0.07 0.00 -0.52 0.00 0.00 55.73 54.10 2w5e s ARG 504 Cb -0.04 -0.43 -0.04 0.00 0.52 0.00 0.00 34.95 34.96 2w5e s ARG 504 CO 0.02 0.07 0.13 -0.51 0.02 0.00 0.00 175.30 175.03 2w5e s LEU 505 N -1.92 4.29 0.12 2.53 1.43 0.40 -4.98 118.68 120.55 2w5e s LEU 505 Ca -0.03 0.39 0.03 0.00 -1.03 0.00 0.00 54.13 53.48 2w5e s LEU 505 Cb -0.07 -2.06 -0.04 0.00 0.03 0.00 0.00 46.19 44.05 2w5e s LEU 505 CO 0.00 0.35 0.17 -0.54 0.23 0.00 0.00 176.35 176.56 2w5e s LYS 506 N -0.68 3.11 0.44 1.70 1.02 -1.26 -4.43 119.74 119.65 2w5e s LYS 506 Ca 0.13 -0.69 -0.14 0.00 0.02 0.00 0.00 55.97 55.29 2w5e s LYS 506 Cb -0.12 -2.81 -0.08 0.00 -0.52 0.00 0.00 37.83 34.31 2w5e s LYS 506 CO 0.02 0.53 0.86 -0.51 -0.92 0.00 0.00 175.35 175.34 2w5e s LEU 507 N -2.88 3.79 0.25 3.17 1.02 -1.26 -0.77 118.68 122.00 2w5e s LEU 507 Ca 0.32 1.35 -0.22 0.00 0.02 0.00 0.00 54.13 55.61 2w5e s LEU 507 Cb -0.11 -4.25 -0.09 0.00 0.02 0.00 0.00 46.19 41.76 2w5e s LEU 507 CO 0.25 -0.45 0.80 -0.55 0.02 0.00 0.00 176.35 176.42 2w5e s SER 508 N -2.96 7.15 -0.07 2.29 0.15 -1.25 -4.85 113.70 114.17 2w5e s SER 508 Ca 0.55 1.56 -0.16 0.00 0.70 0.00 0.00 55.95 58.60 2w5e s SER 508 Cb -0.10 -2.47 -0.12 0.00 -1.71 0.00 0.00 66.02 61.62 2w5e s SER 508 CO 0.28 0.00 0.62 0.11 1.20 0.00 0.00 173.24 175.46 2w5e h LYS 509 N 3.35 -0.22 -3.35 5.44 1.79 -1.97 -3.40 116.57 118.21 2w5e h LYS 509 Ca -0.47 0.02 -0.66 0.00 -2.18 0.00 0.00 60.65 57.35 2w5e h LYS 509 Cb 1.19 0.05 -0.39 0.00 -1.58 0.00 0.00 32.23 31.51 2w5e h LYS 509 CO 0.65 0.11 -0.44 -0.80 -1.08 0.00 0.00 179.45 177.88 2w5e s ASN 510 N -5.42 5.00 0.04 0.86 0.01 -1.26 -5.08 114.94 109.08 2w5e s ASN 510 Ca -0.09 -3.31 -0.30 0.00 -0.71 0.00 0.00 52.86 48.44 2w5e s ASN 510 Cb 0.00 -1.75 -0.08 0.00 0.41 0.00 0.00 41.25 39.84 2w5e s ASN 510 CO 0.34 -0.22 1.66 -2.84 -1.51 0.00 0.00 177.10 174.52 2w5e s PRO 511 N -0.72 4.20 -0.44 -0.60 0.02 -1.26 -4.98 135.00 131.21 2w5e s PRO 511 Ca 0.21 2.30 -0.14 0.00 0.02 0.00 0.00 61.00 63.39 2w5e s PRO 511 Cb -0.16 -3.70 0.05 0.00 0.02 0.00 0.00 34.50 30.72 2w5e s PRO 511 CO -0.07 -0.76 0.34 0.34 -0.33 0.00 0.00 177.00 176.52 2w5e s ASP 512 N 2.66 6.05 0.00 2.53 2.15 -1.26 -4.96 116.67 123.84 2w5e s ASP 512 Ca 0.74 -1.19 0.29 0.00 0.43 0.00 0.00 52.55 52.82 2w5e s ASP 512 Cb -0.38 -2.14 1.24 0.00 -0.30 0.00 0.00 42.92 41.33 2w5e s ASP 512 CO 0.32 -0.56 1.86 -1.22 -0.17 0.00 0.00 175.17 175.40 2w5e n TYR 513 N 5.15 0.00 0.08 -5.34 4.01 -1.26 -4.31 117.16 115.49 2w5e n TYR 513 Ca -0.12 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.61 2w5e n TYR 513 Cb 0.45 -0.12 0.26 0.00 -0.31 0.00 0.00 39.34 39.62 2w5e n TYR 513 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 2w5e h SER 514 N 0.88 0.30 -4.99 7.72 4.64 -1.93 -3.37 113.55 116.79 2w5e h SER 514 Ca 0.00 -0.10 -0.17 0.00 -0.47 0.00 0.00 61.79 61.04 2w5e h SER 514 Cb 0.35 -0.08 -0.20 0.00 -0.31 0.00 0.00 62.40 62.16 2w5e h SER 514 CO 0.00 0.60 -0.70 0.00 -0.87 0.00 0.00 176.83 175.86 2w5e s VAL 516 N -1.74 0.61 -0.13 0.00 -7.23 -0.02 -3.79 120.40 108.10 2w5e s VAL 516 Ca -0.13 -1.95 0.01 0.00 -1.81 0.00 0.00 61.98 58.10 2w5e s VAL 516 Cb -0.08 -1.93 0.02 0.00 0.56 0.00 0.00 36.38 34.95 2w5e s VAL 516 CO -0.02 -0.64 -0.15 -0.89 -0.31 0.00 0.00 175.10 173.09 2w5e s THR 517 N -3.69 1.60 -0.20 5.32 2.01 -0.16 -2.20 115.64 118.31 2w5e s THR 517 Ca 0.19 -0.68 -0.07 0.00 0.31 0.00 0.00 61.69 61.44 2w5e s THR 517 Cb 0.06 -1.48 -0.04 0.00 0.01 0.00 0.00 72.50 71.06 2w5e s THR 517 CO 0.00 0.46 0.06 -0.69 -0.69 0.00 0.00 174.62 173.77 2w5e s VAL 518 N 1.22 4.64 -0.12 3.82 1.01 0.11 -0.87 120.40 130.20 2w5e s VAL 518 Ca -0.01 -0.08 0.03 0.00 0.00 0.00 0.00 61.98 61.92 2w5e s VAL 518 Cb -0.14 -3.11 0.01 0.00 0.00 0.00 0.00 36.38 33.14 2w5e s VAL 518 CO -0.06 0.42 -0.22 -0.04 0.00 0.00 0.00 175.10 175.19 2w5e s MET 519 N 0.75 2.98 0.12 2.72 -1.94 -1.18 -1.93 119.30 120.82 2w5e s MET 519 Ca 0.03 -0.84 -0.12 0.00 -1.71 0.00 0.00 55.69 53.05 2w5e s MET 519 Cb -0.13 -2.35 0.01 0.00 2.01 0.00 0.00 34.83 34.36 2w5e s MET 519 CO 0.02 0.05 0.30 0.00 -0.01 0.00 0.00 175.02 175.38 2w5e s ALA 520 N 0.66 -0.47 -0.22 3.03 0.00 -0.67 -3.71 121.76 120.39 2w5e s ALA 520 Ca -0.11 -0.45 -0.14 0.00 0.00 0.00 0.00 51.96 51.26 2w5e s ALA 520 Cb -0.16 0.64 -0.04 0.00 0.00 0.00 0.00 23.12 23.55 2w5e s ALA 520 CO 0.02 -0.60 0.34 0.71 0.00 0.00 0.00 175.76 176.23 2w5e s TYR 521 N -3.86 3.33 -0.28 0.00 2.02 -1.26 -0.81 117.35 116.50 2w5e s TYR 521 Ca 0.06 0.48 -0.01 0.00 -0.37 0.00 0.00 57.07 57.23 2w5e s TYR 521 Cb 0.03 -2.47 0.04 0.00 -0.40 0.00 0.00 41.96 39.16 2w5e s TYR 521 CO -0.09 -0.04 -0.04 0.08 -1.57 0.00 0.00 175.55 173.89 2w5e s VAL 522 N 1.41 2.81 0.00 0.71 1.01 0.49 -4.76 120.40 122.07 2w5e s VAL 522 Ca 0.15 -1.31 0.00 0.00 0.00 0.00 0.00 61.98 60.82 2w5e s VAL 522 Cb -0.15 -2.56 0.00 0.00 0.00 0.00 0.00 36.38 33.67 2w5e s VAL 522 CO 0.08 0.01 0.00 0.59 0.00 0.00 0.00 175.10 175.77 2w5e n ASN 523 N 4.61 0.00 0.02 3.32 3.02 -1.26 -1.61 115.26 123.35 2w5e n ASN 523 Ca -0.14 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.53 2w5e n ASN 523 Cb 0.44 0.00 0.35 0.00 -0.61 0.00 0.00 39.78 39.96 2w5e n ASN 523 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2w5e n GLU 524 N 12.44 0.07 -4.47 3.52 1.02 -1.26 -4.97 120.64 126.99 2w5e n GLU 524 Ca 0.00 0.03 -0.30 0.00 -0.02 0.00 0.00 57.16 56.86 2w5e n GLU 524 Cb 0.00 -1.55 -0.11 0.00 -0.02 0.00 0.00 31.44 29.76 2w5e n GLU 524 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2w5e s ASP 525 N -3.30 4.07 0.19 1.62 1.01 -0.64 -5.10 116.67 114.52 2w5e s ASP 525 Ca 0.11 -0.40 -0.30 0.00 0.71 0.00 0.00 52.55 52.67 2w5e s ASP 525 Cb 0.17 -0.72 -0.08 0.00 1.01 0.00 0.00 42.92 43.30 2w5e s ASP 525 CO 0.65 0.23 1.11 -0.22 0.21 0.00 0.00 175.17 177.15 2w5e s LEU 526 N -1.74 4.49 -0.09 1.23 2.96 -1.26 -0.38 118.68 123.89 2w5e s LEU 526 Ca 0.17 2.12 -0.00 0.00 -0.22 0.00 0.00 54.13 56.20 2w5e s LEU 526 Cb -0.11 -3.61 0.02 0.00 0.50 0.00 0.00 46.19 43.00 2w5e s LEU 526 CO 0.08 -0.23 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.14 2w5e s VAL 527 N -0.32 0.81 -0.09 1.68 1.01 0.01 -4.91 120.40 118.60 2w5e s VAL 527 Ca 0.49 -0.17 0.03 0.00 0.00 0.00 0.00 61.98 62.33 2w5e s VAL 527 Cb -0.30 -0.86 0.00 0.00 0.00 0.00 0.00 36.38 35.23 2w5e s VAL 527 CO 0.36 0.32 -0.20 -0.69 0.00 0.00 0.00 175.10 174.89 2w5e s VAL 528 N 1.63 1.75 -0.00 2.92 1.01 -1.26 -1.66 120.40 124.78 2w5e s VAL 528 Ca 0.02 -0.83 -0.08 0.00 0.00 0.00 0.00 61.98 61.08 2w5e s VAL 528 Cb -0.13 -1.53 0.00 0.00 0.00 0.00 0.00 36.38 34.73 2w5e s VAL 528 CO -0.06 0.49 0.16 -0.94 0.00 0.00 0.00 175.10 174.75 2w5e s SER 529 N 0.47 -0.00 0.28 3.32 1.04 -0.81 -5.00 113.70 112.99 2w5e s SER 529 Ca -0.17 -0.16 0.03 0.00 0.48 0.00 0.00 55.95 56.12 2w5e s SER 529 Cb -0.17 0.22 -0.03 0.00 0.10 0.00 0.00 66.02 66.14 2w5e s SER 529 CO 0.07 -0.38 0.44 0.42 0.98 0.00 0.00 173.24 174.77 2w5e s THR 530 N -1.36 5.19 0.13 2.02 -4.23 -1.26 -0.71 115.64 115.43 2w5e s THR 530 Ca -0.14 -0.74 -0.23 0.00 -1.18 0.00 0.00 61.69 59.39 2w5e s THR 530 Cb -0.07 -3.86 0.07 0.00 1.34 0.00 0.00 72.50 69.98 2w5e s THR 530 CO 0.02 -0.42 0.60 0.00 -0.54 0.00 0.00 174.62 174.28 2w5e s ALA 531 N -2.12 -1.58 0.23 3.99 0.00 -0.94 -4.97 121.76 116.38 2w5e s ALA 531 Ca 0.37 0.55 -0.26 0.00 0.00 0.00 0.00 51.96 52.62 2w5e s ALA 531 Cb -0.09 0.78 -0.09 0.00 0.00 0.00 0.00 23.12 23.72 2w5e s ALA 531 CO 0.32 -0.72 0.84 0.00 0.00 0.00 0.00 175.76 176.20 2w5e s ALA 532 N -3.46 3.37 0.18 0.00 0.00 -1.26 -0.84 121.76 119.75 2w5e s ALA 532 Ca -0.00 0.42 0.08 0.00 0.00 0.00 0.00 51.96 52.45 2w5e s ALA 532 Cb -0.01 -3.04 -0.04 0.00 0.00 0.00 0.00 23.12 20.03 2w5e s ALA 532 CO -0.10 0.25 -0.15 0.00 0.00 0.00 0.00 175.76 175.76 2w5e s ALA 533 N -1.33 1.93 -0.07 0.00 0.00 -0.23 -4.30 121.76 117.78 2w5e s ALA 533 Ca 0.41 -1.57 0.04 0.00 0.00 0.00 0.00 51.96 50.84 2w5e s ALA 533 Cb -0.22 -0.10 -0.02 0.00 0.00 0.00 0.00 23.12 22.78 2w5e s ALA 533 CO 0.26 0.11 -0.17 -1.64 0.00 0.00 0.00 175.76 174.31 2w5e s MET 534 N -3.32 2.67 -0.09 0.00 -1.94 -0.10 -4.45 119.30 112.06 2w5e s MET 534 Ca 0.19 -0.76 -0.01 0.00 -1.71 0.00 0.00 55.69 53.41 2w5e s MET 534 Cb -0.02 -2.36 -0.00 0.00 2.01 0.00 0.00 34.83 34.46 2w5e s MET 534 CO 0.06 0.48 0.02 0.28 -0.01 0.00 0.00 175.02 175.85 2w5e h VAL 535 N 4.73 0.00 -6.57 -6.03 2.07 -1.86 -2.03 116.25 106.57 2w5e h VAL 535 Ca -0.39 -0.92 -0.48 0.00 0.82 0.00 0.00 66.70 65.73 2w5e h VAL 535 Cb 1.17 0.00 0.02 0.00 -1.52 0.00 0.00 31.29 30.96 2w5e h VAL 535 CO 0.50 0.00 -0.95 0.00 0.02 0.00 0.00 177.57 177.15 2w5e n TYR 536 N -4.62 -1.80 0.00 1.57 4.11 -1.25 -3.79 117.16 111.38 2w5e n TYR 536 Ca -0.00 0.42 0.00 0.00 -0.00 0.00 0.00 57.90 58.32 2w5e n TYR 536 Cb 0.01 -3.08 0.00 0.00 -0.00 0.00 0.00 39.34 36.27 2w5e n TYR 536 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 2w5e n GLY 537 N -1.84 1.75 0.83 -7.48 0.00 -1.26 -2.95 105.19 94.24 2w5e n GLY 537 Ca -0.14 -0.68 0.11 0.00 0.00 0.00 0.00 46.02 45.31 2w5e n GLY 537 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2w5e n ASN 538 N 5.98 2.72 -4.45 1.61 4.13 -1.26 -4.96 115.26 119.02 2w5e n ASN 538 Ca 0.00 -1.86 -0.27 0.00 1.68 0.00 0.00 54.58 54.13 2w5e n ASN 538 Cb 0.00 0.12 -0.11 0.00 -1.54 0.00 0.00 39.78 38.25 2w5e n ASN 538 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 2w5e s THR 539 N -2.07 2.53 -0.03 3.41 2.01 -1.15 -1.67 115.64 118.67 2w5e s THR 539 Ca 0.25 -1.94 0.02 0.00 0.31 0.00 0.00 61.69 60.33 2w5e s THR 539 Cb 0.19 -2.22 0.01 0.00 0.01 0.00 0.00 72.50 70.48 2w5e s THR 539 CO 0.36 -0.11 -0.10 -0.22 -0.69 0.00 0.00 174.62 173.87 2w5e s LEU 540 N -2.69 1.73 -0.04 4.42 2.96 0.59 -3.86 118.68 121.80 2w5e s LEU 540 Ca 0.21 -0.21 0.07 0.00 -0.22 0.00 0.00 54.13 53.99 2w5e s LEU 540 Cb -0.08 -0.61 -0.01 0.00 0.50 0.00 0.00 46.19 45.99 2w5e s LEU 540 CO 0.11 0.06 -0.24 -0.44 -1.32 0.00 0.00 176.35 174.51 2w5e s SER 541 N 0.32 2.92 0.19 3.68 0.01 -0.76 -0.50 113.70 119.55 2w5e s SER 541 Ca -0.06 -0.47 -0.22 0.00 1.31 0.00 0.00 55.95 56.52 2w5e s SER 541 Cb -0.10 -0.56 0.06 0.00 0.21 0.00 0.00 66.02 65.63 2w5e s SER 541 CO 0.01 0.27 0.62 -0.72 0.41 0.00 0.00 173.24 173.83 2w5e s TYR 542 N -0.37 -0.43 0.31 2.43 -0.85 -1.06 -0.93 117.35 116.45 2w5e s TYR 542 Ca 0.03 0.16 -0.28 0.00 -0.52 0.00 0.00 57.07 56.46 2w5e s TYR 542 Cb -0.11 0.58 -0.09 0.00 0.38 0.00 0.00 41.96 42.72 2w5e s TYR 542 CO 0.01 -0.94 1.04 0.00 -1.52 0.00 0.00 175.55 174.14 2w5e s ALA 543 N -3.80 3.28 0.23 9.51 0.00 -1.26 0.23 121.76 129.96 2w5e s ALA 543 Ca 0.04 0.76 0.11 0.00 0.00 0.00 0.00 51.96 52.86 2w5e s ALA 543 Cb -0.02 -3.28 -0.05 0.00 0.00 0.00 0.00 23.12 19.78 2w5e s ALA 543 CO -0.08 -0.08 -0.17 0.14 0.00 0.00 0.00 175.76 175.57 2w5e s VAL 544 N -1.35 2.67 -1.15 0.00 -7.23 -0.96 -4.73 120.40 107.65 2w5e s VAL 544 Ca 0.48 -2.09 0.24 0.00 -1.81 0.00 0.00 61.98 58.80 2w5e s VAL 544 Cb -0.27 -2.35 -0.03 0.00 0.56 0.00 0.00 36.38 34.29 2w5e s VAL 544 CO 0.34 -0.25 1.27 0.54 -0.31 0.00 0.00 175.10 176.69 2w5e n ARG 545 N -0.23 0.17 -4.11 4.82 5.12 -1.26 -4.79 116.66 116.38 2w5e n ARG 545 Ca -0.09 -0.12 -0.11 0.00 -1.93 0.00 0.00 57.85 55.61 2w5e n ARG 545 Cb 0.58 -1.50 -0.10 0.00 -1.16 0.00 0.00 32.46 30.27 2w5e n ARG 545 CO 0.00 0.00 0.00 -0.08 -1.93 0.00 0.00 177.63 175.62 2w5e s THR 546 N -2.91 0.53 -2.27 0.55 -1.32 -1.26 -5.04 115.64 103.92 2w5e s THR 546 Ca 0.12 -1.58 0.26 0.00 -1.21 0.00 0.00 61.69 59.29 2w5e s THR 546 Cb 0.17 -1.22 0.33 0.00 -1.51 0.00 0.00 72.50 70.27 2w5e s THR 546 CO 0.72 -0.72 1.53 0.00 -2.21 0.00 0.00 174.62 173.94 2w5e n GLN 547 N 0.56 1.43 -1.14 7.08 6.02 -1.26 -4.90 117.38 125.17 2w5e n GLN 547 Ca -0.17 -0.96 -0.21 0.00 -0.01 0.00 0.00 57.00 55.65 2w5e n GLN 547 Cb 0.59 -1.48 0.16 0.00 1.02 0.00 0.00 30.24 30.52 2w5e n GLN 547 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 2w5e n ASP 548 N 0.05 -0.60 -4.59 1.08 10.43 -1.26 -4.94 116.55 116.72 2w5e n ASP 548 Ca 0.15 -1.21 -0.42 0.00 2.57 0.00 0.00 54.79 55.88 2w5e n ASP 548 Cb 0.40 -0.72 -0.03 0.00 1.84 0.00 0.00 41.12 42.61 2w5e n ASP 548 CO 0.00 0.00 0.00 -0.83 -1.07 0.00 0.00 177.20 175.30 2w5e s GLY 549 N -4.65 0.63 -0.03 0.44 0.00 -1.26 -4.80 107.32 97.65 2w5e s GLY 549 Ca 0.53 -0.02 0.07 0.00 0.00 0.00 0.00 44.72 45.30 2w5e s GLY 549 CO 0.38 3.28 1.13 1.03 0.00 0.00 0.00 173.10 178.93 2w5e n MET 550 N 8.61 2.74 -1.68 2.90 2.81 -1.26 -4.60 117.12 126.64 2w5e n MET 550 Ca 0.22 -1.91 -0.50 0.00 -1.81 0.00 0.00 57.70 53.70 2w5e n MET 550 Cb 0.48 -1.21 -0.05 0.00 -0.71 0.00 0.00 33.22 31.73 2w5e n MET 550 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 2w5e n SER 551 N -0.32 3.14 0.00 7.83 7.64 -1.26 -1.80 113.62 128.86 2w5e n SER 551 Ca 0.07 1.01 0.00 0.00 1.01 0.00 0.00 58.87 60.96 2w5e n SER 551 Cb 0.41 -1.33 0.00 0.00 -1.01 0.00 0.00 64.21 62.28 2w5e n SER 551 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2w5e n GLY 552 N 4.17 0.56 3.77 0.23 0.00 -0.33 -0.88 105.19 112.70 2w5e n GLY 552 Ca 0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 2w5e n GLY 552 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2w5e s ALA 553 N -2.27 3.60 0.24 4.61 0.00 -0.74 -4.44 121.76 122.76 2w5e s ALA 553 Ca 0.00 1.47 -0.30 0.00 0.00 0.00 0.00 51.96 53.13 2w5e s ALA 553 Cb 0.00 -3.58 -0.09 0.00 0.00 0.00 0.00 23.12 19.44 2w5e s ALA 553 CO 0.00 -0.90 1.28 -1.25 0.00 0.00 0.00 175.76 174.88 2w5e s PRO 554 N -1.41 4.42 -0.33 0.00 0.04 -1.24 -0.46 135.00 136.02 2w5e s PRO 554 Ca 0.55 2.06 -0.08 0.00 0.04 0.00 0.00 61.00 63.57 2w5e s PRO 554 Cb -0.45 -3.16 0.01 0.00 0.04 0.00 0.00 34.50 30.95 2w5e s PRO 554 CO 0.55 -0.17 0.13 0.08 0.04 0.00 0.00 177.00 177.63 2w5e s VAL 555 N -0.39 4.25 0.20 -0.36 1.01 0.36 -3.11 120.40 122.36 2w5e s VAL 555 Ca 0.53 -0.73 0.06 0.00 0.00 0.00 0.00 61.98 61.83 2w5e s VAL 555 Cb -0.37 -3.26 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 2w5e s VAL 555 CO 0.42 -0.04 0.17 0.00 0.00 0.00 0.00 175.10 175.65 2w5e s ASP 557 N -3.44 2.26 0.12 0.00 1.47 0.97 -0.99 116.67 117.06 2w5e s ASP 557 Ca 0.32 0.34 0.08 0.00 1.18 0.00 0.00 52.55 54.47 2w5e s ASP 557 Cb -0.09 -0.40 0.44 0.00 -0.34 0.00 0.00 42.92 42.53 2w5e s ASP 557 CO 0.24 -3.27 1.26 2.29 0.68 0.00 0.00 175.17 176.37 2w5e n LYS 558 N -4.14 0.05 -0.24 2.11 2.85 -1.25 -1.39 118.16 116.16 2w5e n LYS 558 Ca 0.15 0.54 0.07 0.00 -1.05 0.00 0.00 58.31 58.02 2w5e n LYS 558 Cb 0.59 -1.67 0.20 0.00 -0.65 0.00 0.00 35.03 33.50 2w5e n LYS 558 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 2w5e n TYR 559 N -1.78 0.62 -0.93 5.58 4.01 -1.26 -0.27 117.16 123.13 2w5e n TYR 559 Ca -0.00 -0.52 0.00 0.00 -0.16 0.00 0.00 57.90 57.22 2w5e n TYR 559 Cb 0.02 -0.04 0.00 0.00 -0.31 0.00 0.00 39.34 39.01 2w5e n TYR 559 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2w5e s ARG 561 N -0.28 4.35 0.07 0.00 1.81 -1.26 -4.66 118.95 118.98 2w5e s ARG 561 Ca 0.00 0.78 -0.31 0.00 -1.72 0.00 0.00 55.73 54.48 2w5e s ARG 561 Cb 0.00 -3.35 -0.08 0.00 -0.45 0.00 0.00 34.95 31.07 2w5e s ARG 561 CO 0.00 0.34 1.61 0.08 -0.68 0.00 0.00 175.30 176.65 2w5e s VAL 562 N -0.12 3.09 -0.23 3.52 1.01 0.05 -0.02 120.40 127.70 2w5e s VAL 562 Ca 0.32 0.57 0.07 0.00 0.00 0.00 0.00 61.98 62.94 2w5e s VAL 562 Cb -0.18 -3.37 -0.19 0.00 0.00 0.00 0.00 36.38 32.64 2w5e s VAL 562 CO 0.18 0.00 -0.12 0.18 0.00 0.00 0.00 175.10 175.34 2w5e n LEU 563 N 5.38 1.96 -3.98 3.92 4.77 0.21 -3.74 117.00 125.51 2w5e n LEU 563 Ca 0.15 -0.09 -0.09 0.00 -0.03 0.00 0.00 56.01 55.95 2w5e n LEU 563 Cb 0.41 -0.41 -0.04 0.00 -2.33 0.00 0.00 43.42 41.05 2w5e n LEU 563 CO 0.62 0.77 0.23 0.00 -1.33 0.00 0.00 177.39 177.68 2w5e s ALA 564 N -2.49 -0.29 -0.25 -1.18 0.00 -0.52 -1.12 121.76 115.93 2w5e s ALA 564 Ca -0.25 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 50.84 2w5e s ALA 564 Cb 0.08 1.03 0.04 0.00 0.00 0.00 0.00 23.12 24.27 2w5e s ALA 564 CO 0.65 -0.88 -0.09 0.08 0.00 0.00 0.00 175.76 175.51 2w5e s VAL 565 N -3.82 2.51 0.24 0.00 1.01 -0.13 -0.49 120.40 119.73 2w5e s VAL 565 Ca 0.22 -1.27 -0.31 0.00 0.00 0.00 0.00 61.98 60.62 2w5e s VAL 565 Cb -0.02 -2.33 -0.13 0.00 0.00 0.00 0.00 36.38 33.90 2w5e s VAL 565 CO 0.10 0.14 1.37 1.57 0.00 0.00 0.00 175.10 178.27 2w5e n HIS 566 N 4.57 2.08 -0.00 5.22 -0.00 0.39 -1.93 115.22 125.55 2w5e n HIS 566 Ca -0.16 0.47 -0.02 0.00 0.46 0.00 0.00 57.72 58.47 2w5e n HIS 566 Cb 0.45 -2.44 -0.01 0.00 -0.12 0.00 0.00 29.99 27.88 2w5e n HIS 566 CO 0.00 0.00 0.00 1.04 0.46 0.00 0.00 176.34 177.84 2w5e n GLN 567 N 1.84 0.13 -3.89 1.57 1.13 0.33 -1.18 117.38 117.31 2w5e n GLN 567 Ca 0.11 0.05 -0.09 0.00 -1.94 0.00 0.00 57.00 55.13 2w5e n GLN 567 Cb 0.31 -0.63 -0.05 0.00 0.11 0.00 0.00 30.24 29.98 2w5e n GLN 567 CO 0.00 0.00 0.00 -0.08 -1.44 0.00 0.00 177.06 175.54 2w5e s THR 568 N -1.91 0.04 -0.02 5.09 -1.32 -1.13 -4.58 115.64 111.80 2w5e s THR 568 Ca -0.07 -1.18 0.05 0.00 -1.21 0.00 0.00 61.69 59.28 2w5e s THR 568 Cb 0.01 -1.83 -0.01 0.00 -1.51 0.00 0.00 72.50 69.16 2w5e s THR 568 CO 0.11 -0.17 -0.18 0.54 -2.21 0.00 0.00 174.62 172.70 2w5e s ASN 569 N -2.95 2.22 -0.48 8.08 4.22 -1.26 -0.95 114.94 123.83 2w5e s ASN 569 Ca 0.16 -0.35 0.04 0.00 -2.14 0.00 0.00 52.86 50.57 2w5e s ASN 569 Cb 0.01 -0.37 0.12 0.00 1.28 0.00 0.00 41.25 42.29 2w5e s ASN 569 CO 0.01 0.21 0.21 0.42 -2.04 0.00 0.00 177.10 175.91 2w5e s THR 570 N -0.29 2.51 0.00 0.54 -4.23 0.04 -4.96 115.64 109.25 2w5e s THR 570 Ca 0.04 -3.09 0.00 0.00 -1.18 0.00 0.00 61.69 57.46 2w5e s THR 570 Cb -0.09 -2.77 0.00 0.00 1.34 0.00 0.00 72.50 70.98 2w5e s THR 570 CO 0.00 -0.75 0.00 0.61 -0.54 0.00 0.00 174.62 173.94 2w5e n GLY 571 N 3.39 0.92 2.17 3.99 0.00 -1.26 -3.11 105.19 111.29 2w5e n GLY 571 Ca 0.05 -0.67 -0.27 0.00 0.00 0.00 0.00 46.02 45.13 2w5e n GLY 571 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2w5e n TYR 572 N 12.40 2.81 -4.06 1.61 4.01 -1.26 -4.69 117.16 127.98 2w5e n TYR 572 Ca 0.00 -2.31 -0.32 0.00 -0.16 0.00 0.00 57.90 55.11 2w5e n TYR 572 Cb 0.00 -1.14 -0.16 0.00 -0.31 0.00 0.00 39.34 37.74 2w5e n TYR 572 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 2w5e s THR 573 N -3.68 1.89 0.34 -0.72 2.01 -1.18 -2.26 115.64 112.04 2w5e s THR 573 Ca 0.55 -1.09 -0.03 0.00 0.31 0.00 0.00 61.69 61.43 2w5e s THR 573 Cb 0.44 -1.87 -0.04 0.00 0.01 0.00 0.00 72.50 71.04 2w5e s THR 573 CO 0.04 0.28 0.58 -0.83 -0.69 0.00 0.00 174.62 174.00 2w5e s GLY 574 N 1.30 1.62 -0.00 4.40 0.00 0.14 -0.78 107.32 113.99 2w5e s GLY 574 Ca -0.00 -0.67 0.02 0.00 0.00 0.00 0.00 44.72 44.07 2w5e s GLY 574 CO -0.09 -0.58 -0.08 -0.32 0.00 0.00 0.00 173.10 172.03 2w5e s GLY 575 N -3.60 0.38 0.08 0.20 0.00 -0.12 -2.56 107.32 101.69 2w5e s GLY 575 Ca 0.43 -0.34 0.03 0.00 0.00 0.00 0.00 44.72 44.84 2w5e s GLY 575 CO 0.34 -0.29 -0.09 0.00 0.00 0.00 0.00 173.10 173.07 2w5e s ALA 576 N -0.21 0.92 -0.26 3.20 0.00 0.34 -0.51 121.76 125.24 2w5e s ALA 576 Ca 0.03 -1.09 -0.13 0.00 0.00 0.00 0.00 51.96 50.76 2w5e s ALA 576 Cb -0.03 0.06 -0.04 0.00 0.00 0.00 0.00 23.12 23.11 2w5e s ALA 576 CO -0.00 -0.07 0.27 0.08 0.00 0.00 0.00 175.76 176.04 2w5e s VAL 577 N -2.37 5.26 0.30 0.00 1.01 -0.81 -0.30 120.40 123.49 2w5e s VAL 577 Ca 0.02 0.37 -0.30 0.00 0.00 0.00 0.00 61.98 62.07 2w5e s VAL 577 Cb -0.03 -3.61 -0.11 0.00 0.00 0.00 0.00 36.38 32.62 2w5e s VAL 577 CO -0.01 0.23 1.61 -0.38 0.00 0.00 0.00 175.10 176.55 2w5e n ILE 578 N 4.91 1.06 -4.02 2.22 -0.00 -0.67 -0.95 119.36 121.90 2w5e n ILE 578 Ca -0.11 -0.26 -0.35 0.00 -0.00 0.00 0.00 62.75 62.02 2w5e n ILE 578 Cb 0.51 -2.00 -0.07 0.00 -0.00 0.00 0.00 39.64 38.09 2w5e n ILE 578 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.55 176.04 2w5e s ILE 579 N -0.04 5.08 0.03 1.39 2.07 -0.27 -4.87 121.20 124.60 2w5e s ILE 579 Ca 0.63 -0.13 0.04 0.00 -1.41 0.00 0.00 60.65 59.78 2w5e s ILE 579 Cb -0.49 -3.28 -0.02 0.00 0.13 0.00 0.00 42.46 38.81 2w5e s ILE 579 CO 0.49 0.47 -0.11 -0.62 -1.91 0.00 0.00 174.94 173.26 2w5e s ASP 580 N -1.43 1.27 0.54 4.50 2.15 -1.26 -4.80 116.67 117.64 2w5e s ASP 580 Ca 0.20 -0.42 0.29 0.00 0.43 0.00 0.00 52.55 53.04 2w5e s ASP 580 Cb -0.12 -0.06 1.45 0.00 -0.30 0.00 0.00 42.92 43.88 2w5e s ASP 580 CO 0.10 -0.03 1.94 -0.65 -0.17 0.00 0.00 175.17 176.37 2w5e h PRO 581 N 4.99 0.00 0.00 4.34 0.11 -1.99 -0.12 132.00 139.33 2w5e h PRO 581 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 2w5e h PRO 581 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2w5e h PRO 581 CO 0.44 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.48 2w5e n THR 582 N -4.29 0.71 0.28 -1.15 -2.24 -1.26 -2.85 114.28 103.47 2w5e n THR 582 Ca 0.14 0.12 0.14 0.00 -2.27 0.00 0.00 64.05 62.18 2w5e n THR 582 Cb 0.79 -0.90 0.39 0.00 -2.10 0.00 0.00 70.33 68.50 2w5e n THR 582 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2w5e h ASP 583 N 0.00 0.00 0.46 3.42 3.32 -1.43 -3.29 116.42 118.91 2w5e h ASP 583 Ca 0.00 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.97 2w5e h ASP 583 Cb 0.41 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 2w5e h ASP 583 CO 0.00 0.00 -0.38 -0.26 -1.72 0.00 0.00 179.24 176.88 2w5e h PHE 584 N 0.00 0.00 -4.02 4.55 -1.00 -1.67 -3.45 116.94 111.36 2w5e h PHE 584 Ca 0.00 0.00 -0.17 0.00 2.81 0.00 0.00 57.97 60.61 2w5e h PHE 584 Cb 0.78 0.00 -0.20 0.00 3.61 0.00 0.00 35.95 40.14 2w5e h PHE 584 CO 0.00 0.38 -0.70 -1.01 -1.61 0.00 0.00 178.31 175.37 2w5e s HIS 585 N -4.04 0.32 -2.22 -0.55 3.76 -1.24 -4.94 115.29 106.38 2w5e s HIS 585 Ca -0.02 -0.62 0.30 0.00 -0.15 0.00 0.00 55.06 54.57 2w5e s HIS 585 Cb 0.14 -0.23 1.53 0.00 1.11 0.00 0.00 32.58 35.12 2w5e s HIS 585 CO 0.71 -0.21 2.02 -0.35 -0.85 0.00 0.00 174.74 176.05