#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iho s TRP 438 N 0.00 3.27 -0.47 5.64 -0.11 -1.26 -5.05 118.94 120.97 3iho s TRP 438 Ca 0.00 0.85 0.00 0.00 1.22 0.00 0.00 56.10 58.18 3iho s TRP 438 Cb 0.00 -2.94 0.12 0.00 -1.50 0.00 0.00 33.47 29.15 3iho s TRP 438 CO 0.00 -0.39 0.23 0.99 -4.62 0.00 0.00 176.95 173.17 3iho s THR 439 N 2.64 3.00 -0.12 5.86 2.01 -1.26 -4.93 115.64 122.83 3iho s THR 439 Ca 0.28 -2.60 -0.37 0.00 0.31 0.00 0.00 61.69 59.31 3iho s THR 439 Cb -0.15 -3.06 -0.15 0.00 0.01 0.00 0.00 72.50 69.15 3iho s THR 439 CO 0.09 -0.74 1.68 -0.81 -0.69 0.00 0.00 174.62 174.16 3iho n PRO 440 N 3.94 1.49 -1.56 4.92 -0.04 -1.26 -4.90 135.00 137.59 3iho n PRO 440 Ca 0.03 0.54 -0.40 0.00 -0.04 0.00 0.00 63.50 63.63 3iho n PRO 440 Cb 0.39 -2.26 0.02 0.00 -0.04 0.00 0.00 33.50 31.60 3iho n PRO 440 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 3iho n PRO 441 N 4.95 1.00 -2.54 0.54 -0.02 -1.26 -4.92 135.00 132.76 3iho n PRO 441 Ca 0.23 0.37 -0.35 0.00 -2.02 0.00 0.00 63.50 61.73 3iho n PRO 441 Cb 0.19 -1.91 -0.04 0.00 -0.02 0.00 0.00 33.50 31.73 3iho n PRO 441 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3iho s ARG 442 N -2.06 3.88 0.10 -0.52 0.52 -1.26 -5.04 118.95 114.57 3iho s ARG 442 Ca 0.66 1.41 0.08 0.00 -0.52 0.00 0.00 55.73 57.35 3iho s ARG 442 Cb -0.53 -2.20 -0.03 0.00 0.52 0.00 0.00 34.95 32.71 3iho s ARG 442 CO 0.55 -0.37 -0.20 -1.54 0.02 0.00 0.00 175.30 173.76 3iho s SER 443 N -1.87 2.43 0.00 0.23 1.04 -1.26 -5.02 113.70 109.25 3iho s SER 443 Ca 0.65 -0.68 0.00 0.00 0.48 0.00 0.00 55.95 56.40 3iho s SER 443 Cb -0.18 -0.13 0.00 0.00 0.10 0.00 0.00 66.02 65.81 3iho s SER 443 CO 0.22 0.04 0.53 -2.65 0.98 0.00 0.00 173.24 172.36 3iho n PRO 444 N 1.09 0.00 0.00 4.02 -0.01 -1.26 -2.94 135.00 135.91 3iho n PRO 444 Ca -0.20 0.07 0.11 0.00 -0.01 0.00 0.00 63.50 63.47 3iho n PRO 444 Cb 0.54 -1.51 -0.09 0.00 -0.01 0.00 0.00 33.50 32.43 3iho n PRO 444 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 175.50 176.68 3iho n PHE 445 N -1.03 0.04 -4.04 6.00 3.01 -1.26 -5.03 117.46 115.15 3iho n PHE 445 Ca 0.00 0.01 -0.36 0.00 1.01 0.00 0.00 57.45 58.12 3iho n PHE 445 Cb 0.01 -0.18 -0.01 0.00 -0.01 0.00 0.00 39.48 39.29 3iho n PHE 445 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 3iho n ASN 446 N -1.72 -2.27 -4.75 4.37 3.02 -1.15 -4.93 115.26 107.83 3iho n ASN 446 Ca 0.02 -1.18 -0.41 0.00 -0.03 0.00 0.00 54.58 52.98 3iho n ASN 446 Cb 0.39 -2.26 -0.03 0.00 -0.61 0.00 0.00 39.78 37.27 3iho n ASN 446 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3iho s LEU 447 N -7.16 4.48 0.54 3.41 1.43 -1.26 -4.90 118.68 115.22 3iho s LEU 447 Ca 0.26 2.39 0.21 0.00 -1.03 0.00 0.00 54.13 55.97 3iho s LEU 447 Cb -0.13 -3.63 1.47 0.00 0.03 0.00 0.00 46.19 43.94 3iho s LEU 447 CO 0.94 -0.34 2.19 1.62 0.23 0.00 0.00 176.35 180.99 3iho h VAL 448 N 3.30 0.82 -0.90 -1.59 3.04 -2.00 0.27 116.25 119.18 3iho h VAL 448 Ca -0.47 -0.02 0.11 0.00 -1.01 0.00 0.00 66.70 65.31 3iho h VAL 448 Cb 1.22 1.01 -0.07 0.00 -2.01 0.00 0.00 31.29 31.44 3iho h VAL 448 CO 0.69 0.01 0.58 1.56 -1.01 0.00 0.00 177.57 179.40 3iho h GLN 449 N 0.00 0.84 0.00 4.17 7.50 -1.95 0.30 115.11 125.97 3iho h GLN 449 Ca -0.00 -0.05 0.00 0.00 0.50 0.00 0.00 58.65 59.10 3iho h GLN 449 Cb 0.01 -0.19 0.00 0.00 0.05 0.00 0.00 27.48 27.35 3iho h GLN 449 CO 0.00 0.56 0.00 0.93 -1.50 0.00 0.00 178.83 178.82 3iho h GLU 450 N 0.87 0.00 0.00 1.46 5.08 -0.84 -2.44 114.58 118.71 3iho h GLU 450 Ca 0.43 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.69 3iho h GLU 450 Cb 0.46 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 3iho h GLU 450 CO -0.19 0.00 -1.67 2.41 -1.00 0.00 0.00 179.01 178.56 3iho n THR 451 N -2.64 0.65 -0.44 1.13 -1.04 1.00 -4.45 114.28 108.48 3iho n THR 451 Ca -0.00 -0.61 0.06 0.00 -2.04 0.00 0.00 64.05 61.45 3iho n THR 451 Cb 0.16 -0.33 0.15 0.00 -1.82 0.00 0.00 70.33 68.49 3iho n THR 451 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3iho n LEU 452 N -2.59 2.97 0.25 -4.42 4.77 -0.88 -4.71 117.00 112.38 3iho n LEU 452 Ca -0.09 -2.37 0.14 0.00 -0.03 0.00 0.00 56.01 53.66 3iho n LEU 452 Cb 0.72 -0.29 0.55 0.00 -2.33 0.00 0.00 43.42 42.06 3iho n LEU 452 CO 0.43 0.67 0.90 2.19 -1.33 0.00 0.00 177.39 180.25 3iho h PHE 453 N 1.43 0.00 0.00 -1.77 -5.15 -1.71 -2.64 116.94 107.10 3iho h PHE 453 Ca 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 3iho h PHE 453 Cb 0.91 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.08 3iho h PHE 453 CO 0.24 0.10 0.00 -2.39 -2.00 0.00 0.00 178.31 174.26 3iho n HIS 454 N -3.23 0.12 -3.54 6.09 1.44 -1.26 -4.35 115.22 110.48 3iho n HIS 454 Ca 0.01 0.04 -0.29 0.00 -2.01 0.00 0.00 57.72 55.47 3iho n HIS 454 Cb 0.38 -0.57 -0.14 0.00 0.12 0.00 0.00 29.99 29.78 3iho n HIS 454 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 3iho s ASP 455 N -3.19 3.44 0.25 4.39 3.68 -0.99 -5.05 116.67 119.21 3iho s ASP 455 Ca 0.09 -1.60 -0.05 0.00 2.13 0.00 0.00 52.55 53.12 3iho s ASP 455 Cb 0.13 -0.43 0.32 0.00 -1.45 0.00 0.00 42.92 41.48 3iho s ASP 455 CO 0.37 -0.40 1.89 -0.65 0.13 0.00 0.00 175.17 176.52 3iho h PRO 456 N 7.96 1.16 -0.78 4.34 0.11 -1.78 -1.44 132.00 141.57 3iho h PRO 456 Ca -0.12 -0.07 0.17 0.00 0.11 0.00 0.00 66.00 66.09 3iho h PRO 456 Cb 1.00 -0.26 -0.11 0.00 0.11 0.00 0.00 31.00 31.74 3iho h PRO 456 CO 0.40 0.77 0.25 2.35 -0.21 0.00 0.00 178.00 181.55 3iho h TRP 457 N 1.19 0.40 -0.26 0.65 7.01 -1.96 0.20 115.95 123.17 3iho h TRP 457 Ca 0.39 0.04 -0.16 0.00 2.11 0.00 0.00 58.89 61.27 3iho h TRP 457 Cb 0.03 -0.06 -0.00 0.00 -2.10 0.00 0.00 29.16 27.04 3iho h TRP 457 CO -0.01 -0.05 -0.44 0.87 -2.79 0.00 0.00 178.44 176.02 3iho h LYS 458 N 0.33 0.77 -0.46 2.65 1.57 -1.58 0.72 116.57 120.56 3iho h LYS 458 Ca 0.45 -0.47 -0.06 0.00 -1.87 0.00 0.00 60.65 58.70 3iho h LYS 458 Cb 0.77 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.11 3iho h LYS 458 CO -0.50 1.10 0.05 1.25 -0.57 0.00 0.00 179.45 180.78 3iho h LEU 459 N 0.51 0.69 -0.05 2.94 6.46 -1.00 0.10 115.31 124.97 3iho h LEU 459 Ca 0.02 -0.14 -0.02 0.00 -0.12 0.00 0.00 57.88 57.62 3iho h LEU 459 Cb 1.05 -0.18 -0.00 0.00 -0.73 0.00 0.00 40.66 40.79 3iho h LEU 459 CO 0.10 0.73 -0.06 -0.07 -0.62 0.00 0.00 178.44 178.52 3iho h LEU 460 N 0.70 0.13 -0.71 2.25 3.38 -0.17 -1.66 115.31 119.22 3iho h LEU 460 Ca 0.15 -0.51 0.16 0.00 0.09 0.00 0.00 57.88 57.76 3iho h LEU 460 Cb 0.36 -0.04 -0.11 0.00 0.09 0.00 0.00 40.66 40.96 3iho h LEU 460 CO 0.01 0.62 0.09 0.40 0.09 0.00 0.00 178.44 179.65 3iho h ILE 461 N -0.35 0.46 -0.30 1.22 1.08 -0.50 0.11 117.51 119.23 3iho h ILE 461 Ca 0.01 -0.06 0.05 0.00 -0.39 0.00 0.00 64.86 64.46 3iho h ILE 461 Cb 0.58 0.26 -0.04 0.00 -3.07 0.00 0.00 36.82 34.55 3iho h ILE 461 CO 0.01 0.03 0.02 0.00 -0.69 0.00 0.00 178.15 177.52 3iho h ALA 462 N 1.63 0.28 -0.72 1.87 0.00 -0.46 0.17 119.26 122.02 3iho h ALA 462 Ca 0.40 0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.44 3iho h ALA 462 Cb 0.68 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.55 3iho h ALA 462 CO -0.56 -0.40 0.48 1.79 0.00 0.00 0.00 179.25 180.56 3iho h THR 463 N 0.11 1.05 -0.68 0.00 1.35 0.14 -0.12 112.91 114.75 3iho h THR 463 Ca 0.14 -0.27 -0.04 0.00 -0.55 0.00 0.00 66.41 65.69 3iho h THR 463 Cb 0.18 0.19 -0.03 0.00 -1.73 0.00 0.00 68.15 66.76 3iho h THR 463 CO -0.22 0.14 0.25 0.40 -0.25 0.00 0.00 175.52 175.84 3iho h ILE 464 N 0.79 1.24 0.79 6.82 2.04 0.18 0.77 117.51 130.15 3iho h ILE 464 Ca 0.30 -0.78 -0.04 0.00 1.00 0.00 0.00 64.86 65.34 3iho h ILE 464 Cb 0.20 0.45 0.01 0.00 -0.74 0.00 0.00 36.82 36.73 3iho h ILE 464 CO -0.10 0.31 -0.38 -0.26 0.00 0.00 0.00 178.15 177.72 3iho h PHE 465 N 1.00 -0.99 -0.22 1.37 -1.00 0.17 -3.26 116.94 114.00 3iho h PHE 465 Ca 0.23 -0.02 -0.00 0.00 2.81 0.00 0.00 57.97 60.98 3iho h PHE 465 Cb 0.22 0.33 -0.01 0.00 3.61 0.00 0.00 35.95 40.10 3iho h PHE 465 CO 0.02 -0.62 0.13 -0.07 -1.61 0.00 0.00 178.31 176.16 3iho h LEU 466 N -1.16 0.26 -8.87 1.54 -0.00 -1.26 -3.42 115.31 102.39 3iho h LEU 466 Ca -0.11 -0.01 -0.83 0.00 -0.00 0.00 0.00 57.88 56.93 3iho h LEU 466 Cb 0.82 -0.06 0.00 0.00 -0.00 0.00 0.00 40.66 41.42 3iho h LEU 466 CO 0.18 0.20 0.85 -3.20 -0.00 0.00 0.00 178.44 176.46 3iho n ASN 467 N -4.49 1.41 -3.98 -0.43 5.15 0.26 -0.31 115.26 112.88 3iho n ASN 467 Ca 0.00 1.07 -0.28 0.00 -0.60 0.00 0.00 54.58 54.78 3iho n ASN 467 Cb 0.08 -0.95 -0.06 0.00 -0.53 0.00 0.00 39.78 38.32 3iho n ASN 467 CO 0.00 0.00 0.00 -2.11 1.40 0.00 0.00 177.26 176.55 3iho n ARG 468 N 4.92 -0.84 -3.75 1.20 0.00 -1.26 -4.96 116.66 111.97 3iho n ARG 468 Ca 0.34 0.05 -0.13 0.00 -0.00 0.00 0.00 57.85 58.11 3iho n ARG 468 Cb -0.01 -2.67 -0.11 0.00 -0.00 0.00 0.00 32.46 29.67 3iho n ARG 468 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 3iho s THR 469 N -4.06 -0.01 0.15 8.89 -4.23 0.58 -5.15 115.64 111.81 3iho s THR 469 Ca 0.08 0.02 -0.33 0.00 -1.18 0.00 0.00 61.69 60.28 3iho s THR 469 Cb -0.04 -0.46 -0.17 0.00 1.34 0.00 0.00 72.50 73.17 3iho s THR 469 CO 0.80 0.01 0.98 -1.20 -0.54 0.00 0.00 174.62 174.67 3iho n SER 470 N 3.17 0.41 0.25 3.99 7.64 -1.26 -4.76 113.62 123.05 3iho n SER 470 Ca -0.15 1.15 0.09 0.00 1.01 0.00 0.00 58.87 60.96 3iho n SER 470 Cb 0.57 -1.09 0.64 0.00 -1.01 0.00 0.00 64.21 63.32 3iho n SER 470 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 3iho h GLY 471 N 2.63 0.00 -0.57 0.23 0.00 -1.97 0.37 103.07 103.75 3iho h GLY 471 Ca -0.41 0.00 0.11 0.00 0.00 0.00 0.00 47.33 47.03 3iho h GLY 471 CO 0.65 0.00 -0.38 0.07 0.00 0.00 0.00 176.54 176.88 3iho h LYS 472 N 0.00 -0.14 0.03 4.80 5.09 -2.02 -2.47 116.57 121.87 3iho h LYS 472 Ca -0.00 0.01 -0.32 0.00 0.09 0.00 0.00 60.65 60.42 3iho h LYS 472 Cb 0.18 0.03 -0.04 0.00 0.10 0.00 0.00 32.23 32.49 3iho h LYS 472 CO 0.01 -0.09 -1.89 -1.33 -2.09 0.00 0.00 179.45 174.06 3iho n MET 473 N -5.43 0.67 0.13 0.07 2.00 -1.11 -4.42 117.12 109.04 3iho n MET 473 Ca 0.05 0.25 -0.23 0.00 0.00 0.00 0.00 57.70 57.77 3iho n MET 473 Cb 0.36 -1.73 -0.15 0.00 0.00 0.00 0.00 33.22 31.69 3iho n MET 473 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3iho h ALA 474 N 0.71 -0.09 -0.54 3.04 0.00 -0.87 -3.33 119.26 118.19 3iho h ALA 474 Ca -0.36 -0.89 -0.00 0.00 0.00 0.00 0.00 54.91 53.66 3iho h ALA 474 Cb 2.04 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 19.97 3iho h ALA 474 CO 0.07 0.78 0.33 0.82 0.00 0.00 0.00 179.25 181.24 3iho h ILE 475 N 0.13 1.16 -0.72 0.00 2.04 -1.66 0.34 117.51 118.80 3iho h ILE 475 Ca -0.24 -0.35 -0.01 0.00 1.00 0.00 0.00 64.86 65.26 3iho h ILE 475 Cb 2.13 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 38.60 3iho h ILE 475 CO 0.26 0.16 0.42 -0.65 0.00 0.00 0.00 178.15 178.34 3iho h PRO 476 N 0.72 0.98 0.00 2.37 0.11 -1.77 -2.23 132.00 132.17 3iho h PRO 476 Ca 0.19 -0.09 -0.13 0.00 0.11 0.00 0.00 66.00 66.08 3iho h PRO 476 Cb -0.02 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 30.87 3iho h PRO 476 CO -0.04 0.70 -0.62 0.28 -0.21 0.00 0.00 178.00 178.11 3iho h VAL 477 N 0.99 1.20 -0.02 3.15 2.07 -1.61 -2.97 116.25 119.07 3iho h VAL 477 Ca 0.26 -2.31 -0.00 0.00 0.82 0.00 0.00 66.70 65.46 3iho h VAL 477 Cb -0.02 2.34 -0.00 0.00 -1.52 0.00 0.00 31.29 32.09 3iho h VAL 477 CO -0.05 0.60 0.01 0.25 0.02 0.00 0.00 177.57 178.41 3iho h LEU 478 N 0.00 0.02 -0.77 2.57 5.85 -0.45 -1.60 115.31 120.93 3iho h LEU 478 Ca -0.01 -0.14 -0.07 0.00 0.84 0.00 0.00 57.88 58.50 3iho h LEU 478 Cb 1.29 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 42.29 3iho h LEU 478 CO 0.08 0.16 0.12 -0.50 -0.34 0.00 0.00 178.44 177.96 3iho h TRP 479 N -0.11 1.11 -0.86 1.25 -0.00 -1.42 -0.33 115.95 115.59 3iho h TRP 479 Ca 0.01 -0.14 0.01 0.00 -0.00 0.00 0.00 58.89 58.77 3iho h TRP 479 Cb 0.14 -0.31 -0.04 0.00 -0.00 0.00 0.00 29.16 28.95 3iho h TRP 479 CO -0.03 0.93 0.57 0.87 -0.00 0.00 0.00 178.44 180.78 3iho h LYS 480 N 1.00 1.13 -0.26 0.49 1.57 -1.53 -0.05 116.57 118.91 3iho h LYS 480 Ca 0.20 -0.07 -0.11 0.00 -1.87 0.00 0.00 60.65 58.80 3iho h LYS 480 Cb 0.40 -0.25 -0.00 0.00 0.08 0.00 0.00 32.23 32.45 3iho h LYS 480 CO 0.01 0.75 -0.27 0.35 -0.57 0.00 0.00 179.45 179.72 3iho h PHE 481 N 1.16 0.78 -0.55 -1.35 3.57 -0.10 -2.01 116.94 118.43 3iho h PHE 481 Ca 0.32 -0.23 -0.11 0.00 3.53 0.00 0.00 57.97 61.48 3iho h PHE 481 Cb -0.13 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.43 3iho h PHE 481 CO -0.00 0.96 -0.07 -0.07 -2.23 0.00 0.00 178.31 176.91 3iho h LEU 482 N 0.37 1.01 -0.65 0.59 3.38 -1.03 0.12 115.31 119.10 3iho h LEU 482 Ca 0.04 -0.33 0.09 0.00 0.09 0.00 0.00 57.88 57.77 3iho h LEU 482 Cb 0.83 -0.28 -0.07 0.00 0.09 0.00 0.00 40.66 41.24 3iho h LEU 482 CO 0.07 1.11 0.28 -0.33 0.09 0.00 0.00 178.44 179.66 3iho h GLU 483 N 0.90 0.48 0.00 1.13 5.08 -0.95 -2.69 114.58 118.52 3iho h GLU 483 Ca 0.15 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.40 3iho h GLU 483 Cb 0.63 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 3iho h GLU 483 CO 0.04 0.32 -0.61 -0.22 -1.00 0.00 0.00 179.01 177.54 3iho h LYS 484 N 0.49 0.00 -2.42 2.33 3.64 -1.07 -3.40 116.57 116.15 3iho h LYS 484 Ca 0.32 0.00 -0.59 0.00 -1.27 0.00 0.00 60.65 59.11 3iho h LYS 484 Cb 0.37 0.00 -0.39 0.00 -0.41 0.00 0.00 32.23 31.80 3iho h LYS 484 CO -0.29 0.31 -0.91 0.66 -2.27 0.00 0.00 179.45 176.96 3iho n TYR 485 N -3.09 0.13 1.65 1.91 4.02 0.39 -5.01 117.16 117.17 3iho n TYR 485 Ca 0.00 -3.57 0.06 0.00 -0.01 0.00 0.00 57.90 54.39 3iho n TYR 485 Cb 0.69 -0.04 0.29 0.00 -0.02 0.00 0.00 39.34 40.27 3iho n TYR 485 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 3iho n PRO 486 N 2.34 1.28 -3.48 -0.72 -0.04 -1.03 -4.47 135.00 128.88 3iho n PRO 486 Ca 0.27 -0.43 -0.14 0.00 -0.04 0.00 0.00 63.50 63.15 3iho n PRO 486 Cb 0.46 -1.22 -0.04 0.00 -0.04 0.00 0.00 33.50 32.66 3iho n PRO 486 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3iho s SER 487 N -1.31 -0.59 0.30 3.54 1.04 -1.26 -5.05 113.70 110.37 3iho s SER 487 Ca 0.20 0.35 -0.01 0.00 0.48 0.00 0.00 55.95 56.97 3iho s SER 487 Cb 0.10 0.54 0.48 0.00 0.10 0.00 0.00 66.02 67.24 3iho s SER 487 CO 0.15 -0.75 1.95 0.00 0.98 0.00 0.00 173.24 175.57 3iho h ALA 488 N 2.49 1.46 -0.67 5.32 0.00 -1.92 -1.84 119.26 124.10 3iho h ALA 488 Ca -0.29 -0.04 0.14 0.00 0.00 0.00 0.00 54.91 54.71 3iho h ALA 488 Cb 1.22 -0.31 -0.10 0.00 0.00 0.00 0.00 17.79 18.60 3iho h ALA 488 CO 0.38 0.46 0.12 0.93 0.00 0.00 0.00 179.25 181.14 3iho h GLU 489 N 1.08 0.23 -0.07 0.00 3.07 -1.97 0.49 114.58 117.41 3iho h GLU 489 Ca 0.34 -0.01 -0.17 0.00 -0.50 0.00 0.00 59.36 59.01 3iho h GLU 489 Cb 0.01 -0.05 0.01 0.00 -0.84 0.00 0.00 28.75 27.88 3iho h GLU 489 CO -0.10 0.15 -0.63 0.28 -1.40 0.00 0.00 179.01 177.31 3iho h VAL 490 N 0.24 1.36 0.50 3.13 2.07 -1.84 -3.36 116.25 118.34 3iho h VAL 490 Ca 0.36 -1.96 -0.02 0.00 0.82 0.00 0.00 66.70 65.90 3iho h VAL 490 Cb 0.58 2.30 -0.01 0.00 -1.52 0.00 0.00 31.29 32.65 3iho h VAL 490 CO -0.48 0.59 -0.31 0.00 0.02 0.00 0.00 177.57 177.39 3iho h ALA 491 N 0.43 -0.78 0.00 1.67 0.00 -0.35 -2.89 119.26 117.35 3iho h ALA 491 Ca -0.06 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3iho h ALA 491 Cb 1.29 0.38 0.00 0.00 0.00 0.00 0.00 17.79 19.47 3iho h ALA 491 CO 0.13 -0.95 0.20 0.07 0.00 0.00 0.00 179.25 178.69 3iho h ARG 492 N -0.78 0.00 0.00 0.00 0.11 -0.25 -1.04 114.38 112.43 3iho h ARG 492 Ca -0.06 0.00 -0.22 0.00 0.10 0.00 0.00 59.98 59.80 3iho h ARG 492 Cb 0.63 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.68 3iho h ARG 492 CO 0.06 0.00 -1.54 2.41 0.10 0.00 0.00 179.97 180.99 3iho n THR 493 N -2.16 1.37 -1.23 0.08 -1.04 -1.09 -4.85 114.28 105.36 3iho n THR 493 Ca -0.01 -0.74 -0.29 0.00 -2.04 0.00 0.00 64.05 60.97 3iho n THR 493 Cb 0.22 -0.87 0.19 0.00 -1.82 0.00 0.00 70.33 68.05 3iho n THR 493 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3iho s ALA 494 N -2.78 1.01 -0.16 2.41 0.00 -0.40 -5.03 121.76 116.81 3iho s ALA 494 Ca -0.04 -0.59 -0.02 0.00 0.00 0.00 0.00 51.96 51.32 3iho s ALA 494 Cb 0.08 -3.03 -0.02 0.00 0.00 0.00 0.00 23.12 20.16 3iho s ALA 494 CO 0.82 -2.96 -0.08 0.34 0.00 0.00 0.00 175.76 173.87 3iho s ASP 495 N -3.72 4.29 0.43 0.00 2.15 -1.26 -5.00 116.67 113.56 3iho s ASP 495 Ca 0.67 -0.29 0.09 0.00 0.43 0.00 0.00 52.55 53.45 3iho s ASP 495 Cb -0.15 -1.69 0.92 0.00 -0.30 0.00 0.00 42.92 41.70 3iho s ASP 495 CO 0.56 0.12 2.05 4.11 -0.17 0.00 0.00 175.17 181.85 3iho h TRP 496 N 7.04 0.39 -0.98 -5.34 5.08 -1.96 -0.57 115.95 119.62 3iho h TRP 496 Ca -0.31 0.00 0.24 0.00 1.08 0.00 0.00 58.89 59.90 3iho h TRP 496 Cb 1.19 -0.13 -0.08 0.00 -3.00 0.00 0.00 29.16 27.15 3iho h TRP 496 CO 0.53 0.28 0.64 0.00 -1.28 0.00 0.00 178.44 178.61 3iho h ARG 497 N 0.41 0.37 0.17 0.12 3.08 -1.96 0.50 114.38 117.07 3iho h ARG 497 Ca 0.11 -0.02 -0.33 0.00 0.07 0.00 0.00 59.98 59.80 3iho h ARG 497 Cb 0.01 -0.08 0.01 0.00 0.08 0.00 0.00 29.97 29.98 3iho h ARG 497 CO -0.02 0.25 -1.65 -0.44 -1.07 0.00 0.00 179.97 177.03 3iho h ASP 498 N 0.38 0.56 -0.55 7.04 3.32 -1.54 -2.86 116.42 122.78 3iho h ASP 498 Ca 0.53 -0.79 0.02 0.00 0.02 0.00 0.00 57.03 56.82 3iho h ASP 498 Cb 1.37 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 40.71 3iho h ASP 498 CO -0.22 1.66 0.34 0.58 -1.72 0.00 0.00 179.24 179.88 3iho h VAL 499 N 0.10 1.07 -0.74 -1.35 2.07 -0.91 -1.50 116.25 114.99 3iho h VAL 499 Ca -0.30 -0.23 0.02 0.00 0.82 0.00 0.00 66.70 67.01 3iho h VAL 499 Cb 2.08 0.34 -0.04 0.00 -1.52 0.00 0.00 31.29 32.15 3iho h VAL 499 CO 0.18 0.12 0.49 -1.28 0.02 0.00 0.00 177.57 177.10 3iho h SER 500 N 0.67 0.80 -0.51 0.57 0.87 -0.10 -0.34 113.55 115.52 3iho h SER 500 Ca 0.22 -0.01 -0.09 0.00 -1.23 0.00 0.00 61.79 60.68 3iho h SER 500 Cb 0.01 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 61.76 3iho h SER 500 CO -0.09 0.56 -0.02 -0.08 -0.53 0.00 0.00 176.83 176.67 3iho h GLU 501 N 0.94 0.91 0.00 2.24 4.57 -1.06 0.19 114.58 122.37 3iho h GLU 501 Ca 0.28 -0.30 -0.10 0.00 -1.18 0.00 0.00 59.36 58.07 3iho h GLU 501 Cb -0.01 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.48 3iho h GLU 501 CO -0.07 0.95 -0.47 1.25 -1.18 0.00 0.00 179.01 179.49 3iho h LEU 502 N 0.78 0.00 0.00 1.64 5.85 -0.42 -3.07 115.31 120.08 3iho h LEU 502 Ca 0.14 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.81 3iho h LEU 502 Cb 0.55 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 3iho h LEU 502 CO 0.03 0.47 -0.37 -0.07 -0.34 0.00 0.00 178.44 178.16 3iho h LEU 503 N 0.00 0.00 -9.12 2.25 3.38 0.41 -3.47 115.31 108.77 3iho h LEU 503 Ca -0.00 0.00 -0.68 0.00 0.09 0.00 0.00 57.88 57.29 3iho h LEU 503 Cb 0.85 0.00 0.09 0.00 0.09 0.00 0.00 40.66 41.69 3iho h LEU 503 CO 0.06 0.24 -0.21 1.17 0.09 0.00 0.00 178.44 179.79 3iho n LYS 504 N -3.11 0.37 -1.25 1.13 4.81 0.53 -1.51 118.16 119.12 3iho n LYS 504 Ca 0.02 0.13 -0.19 0.00 -0.87 0.00 0.00 58.31 57.40 3iho n LYS 504 Cb 0.63 -1.35 0.13 0.00 0.02 0.00 0.00 35.03 34.47 3iho n LYS 504 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 3iho n PRO 505 N 1.17 2.47 -0.61 1.64 -0.04 -1.26 -5.03 135.00 133.33 3iho n PRO 505 Ca 0.17 -3.39 0.48 0.00 -0.04 0.00 0.00 63.50 60.71 3iho n PRO 505 Cb 0.23 -2.08 0.76 0.00 -0.04 0.00 0.00 33.50 32.37 3iho n PRO 505 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3iho h LEU 506 N 1.48 0.09 0.00 1.53 5.85 -1.67 -3.46 115.31 119.13 3iho h LEU 506 Ca 0.41 0.07 0.00 0.00 0.84 0.00 0.00 57.88 59.20 3iho h LEU 506 Cb 1.62 0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.72 3iho h LEU 506 CO 0.87 -0.11 0.00 0.61 -0.34 0.00 0.00 178.44 179.47 3iho n GLY 507 N -1.75 1.68 3.32 3.75 0.00 -1.26 -4.83 105.19 106.09 3iho n GLY 507 Ca 0.43 -1.03 -0.19 0.00 0.00 0.00 0.00 46.02 45.23 3iho n GLY 507 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 3iho n LEU 508 N 0.00 -3.56 0.01 0.99 -0.00 -1.26 -4.86 117.00 108.31 3iho n LEU 508 Ca 0.00 -0.53 -0.06 0.00 -0.00 0.00 0.00 56.01 55.42 3iho n LEU 508 Cb 0.00 -2.85 0.13 0.00 -0.00 0.00 0.00 43.42 40.70 3iho n LEU 508 CO 0.00 0.48 0.62 0.10 -0.00 0.00 0.00 177.39 178.59 3iho h TYR 509 N -2.12 0.60 0.87 1.47 -0.00 -1.91 0.73 116.97 116.61 3iho h TYR 509 Ca -0.53 -0.17 -0.04 0.00 0.00 0.00 0.00 58.73 58.00 3iho h TYR 509 Cb 1.32 -0.13 0.00 0.00 0.00 0.00 0.00 36.73 37.92 3iho h TYR 509 CO 0.43 0.82 -0.49 -0.44 -0.00 0.00 0.00 178.16 178.48 3iho h ASP 510 N 0.43 -1.22 -0.58 0.10 3.32 -1.90 -0.30 116.42 116.27 3iho h ASP 510 Ca 0.04 0.06 0.08 0.00 0.02 0.00 0.00 57.03 57.23 3iho h ASP 510 Cb 0.86 0.34 -0.06 0.00 0.22 0.00 0.00 39.33 40.69 3iho h ASP 510 CO 0.07 -0.78 0.24 -0.07 -1.72 0.00 0.00 179.24 176.98 3iho h LEU 511 N -1.26 0.27 -1.35 1.55 4.07 -1.93 -0.79 115.31 115.86 3iho h LEU 511 Ca -0.12 0.06 -0.03 0.00 0.08 0.00 0.00 57.88 57.87 3iho h LEU 511 Cb 0.99 0.03 -0.02 0.00 1.08 0.00 0.00 40.66 42.75 3iho h LEU 511 CO 0.15 0.17 0.07 0.03 -1.08 0.00 0.00 178.44 177.77 3iho h ARG 512 N 0.43 0.50 -0.01 1.13 3.08 -0.75 -1.97 114.38 116.79 3iho h ARG 512 Ca 0.28 -0.08 -0.00 0.00 0.07 0.00 0.00 59.98 60.25 3iho h ARG 512 Cb 0.31 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.27 3iho h ARG 512 CO -0.26 0.48 0.00 0.00 -1.07 0.00 0.00 179.97 179.12 3iho h ALA 513 N 1.59 0.02 -0.83 0.04 0.00 0.41 -1.99 119.26 118.49 3iho h ALA 513 Ca 0.11 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3iho h ALA 513 Cb 0.22 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 3iho h ALA 513 CO -0.00 -0.34 0.48 0.87 0.00 0.00 0.00 179.25 180.26 3iho h LYS 514 N -0.25 1.14 -0.27 0.00 1.57 -1.22 -2.15 116.57 115.40 3iho h LYS 514 Ca 0.00 -0.11 0.03 0.00 -1.87 0.00 0.00 60.65 58.70 3iho h LYS 514 Cb 0.28 -0.23 -0.03 0.00 0.08 0.00 0.00 32.23 32.33 3iho h LYS 514 CO 0.00 0.82 0.07 1.15 -0.57 0.00 0.00 179.45 180.91 3iho h THR 515 N 1.15 0.90 -0.39 -0.16 2.02 -1.30 -1.49 112.91 113.63 3iho h THR 515 Ca 0.30 -0.06 -0.00 0.00 0.77 0.00 0.00 66.41 67.41 3iho h THR 515 Cb -0.02 0.71 -0.02 0.00 -1.74 0.00 0.00 68.15 67.08 3iho h THR 515 CO -0.05 0.03 0.22 0.40 0.37 0.00 0.00 175.52 176.49 3iho h ILE 516 N 0.18 1.14 0.27 3.11 2.04 -0.79 0.41 117.51 123.85 3iho h ILE 516 Ca 0.12 -0.34 -0.01 0.00 1.00 0.00 0.00 64.86 65.63 3iho h ILE 516 Cb 0.11 0.66 0.00 0.00 -0.74 0.00 0.00 36.82 36.85 3iho h ILE 516 CO -0.15 0.14 -0.13 0.58 0.00 0.00 0.00 178.15 178.60 3iho h VAL 517 N 0.51 0.74 -0.34 1.67 2.07 -1.32 -0.74 116.25 118.83 3iho h VAL 517 Ca 0.14 -0.01 -0.06 0.00 0.82 0.00 0.00 66.70 67.59 3iho h VAL 517 Cb 0.03 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 3iho h VAL 517 CO -0.02 0.00 -0.00 0.50 0.02 0.00 0.00 177.57 178.07 3iho h LYS 518 N -0.36 0.61 -0.40 1.57 3.64 -0.89 -1.97 116.57 118.76 3iho h LYS 518 Ca -0.04 -0.20 0.05 0.00 -1.27 0.00 0.00 60.65 59.20 3iho h LYS 518 Cb 0.28 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.00 3iho h LYS 518 CO 0.06 0.73 0.12 0.35 -2.27 0.00 0.00 179.45 178.44 3iho h PHE 519 N 0.42 0.21 -0.54 1.91 3.57 -0.20 -1.59 116.94 120.72 3iho h PHE 519 Ca 0.10 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.68 3iho h PHE 519 Cb 0.46 -0.04 -0.05 0.00 2.79 0.00 0.00 35.95 39.11 3iho h PHE 519 CO 0.04 0.07 0.26 0.77 -2.23 0.00 0.00 178.31 177.22 3iho h SER 520 N 0.27 0.35 -0.19 0.41 0.02 -0.89 0.20 113.55 113.72 3iho h SER 520 Ca 0.19 0.04 0.01 0.00 -0.84 0.00 0.00 61.79 61.19 3iho h SER 520 Cb 0.19 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 3iho h SER 520 CO -0.21 0.23 0.10 -0.78 -1.14 0.00 0.00 176.83 175.04 3iho h ASP 521 N 0.49 0.17 -0.87 3.07 3.58 -1.07 -2.73 116.42 119.06 3iho h ASP 521 Ca 0.25 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.69 3iho h ASP 521 Cb 0.19 -0.03 -0.04 0.00 1.72 0.00 0.00 39.33 41.17 3iho h ASP 521 CO -0.19 0.13 0.49 -0.33 -2.88 0.00 0.00 179.24 176.45 3iho h GLU 522 N 0.22 1.21 -0.49 0.28 5.08 -1.03 0.00 114.58 119.86 3iho h GLU 522 Ca 0.07 -0.13 0.07 0.00 -1.00 0.00 0.00 59.36 58.38 3iho h GLU 522 Cb 0.00 -0.24 -0.06 0.00 0.50 0.00 0.00 28.75 28.95 3iho h GLU 522 CO -0.04 0.87 0.14 -0.92 -1.00 0.00 0.00 179.01 178.06 3iho h TYR 523 N 1.22 0.24 0.09 4.33 3.20 -0.41 -1.72 116.97 123.92 3iho h TYR 523 Ca 0.31 0.03 -0.15 0.00 3.14 0.00 0.00 58.73 62.06 3iho h TYR 523 Cb 0.00 -0.03 0.02 0.00 1.54 0.00 0.00 36.73 38.26 3iho h TYR 523 CO 0.01 0.05 -0.64 -0.07 -1.64 0.00 0.00 178.16 175.86 3iho h LEU 524 N 0.29 0.42 0.00 2.82 3.38 -1.19 -3.40 115.31 117.63 3iho h LEU 524 Ca 0.24 -0.91 -0.17 0.00 0.09 0.00 0.00 57.88 57.13 3iho h LEU 524 Cb 0.29 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 3iho h LEU 524 CO -0.28 1.28 -0.82 0.71 0.09 0.00 0.00 178.44 179.43 3iho h THR 525 N -0.39 1.38 -3.30 0.22 1.35 -0.87 -3.46 112.91 107.85 3iho h THR 525 Ca -0.11 -2.96 -0.56 0.00 -0.55 0.00 0.00 66.41 62.23 3iho h THR 525 Cb 1.46 2.68 -0.04 0.00 -1.73 0.00 0.00 68.15 70.52 3iho h THR 525 CO 0.12 0.79 -0.09 -0.54 -0.25 0.00 0.00 175.52 175.55 3iho s LYS 526 N -2.80 3.99 -0.57 4.72 1.02 -0.66 -5.04 119.74 120.39 3iho s LYS 526 Ca 0.02 0.50 -0.18 0.00 0.02 0.00 0.00 55.97 56.33 3iho s LYS 526 Cb 0.09 -2.96 0.10 0.00 -0.52 0.00 0.00 37.83 34.54 3iho s LYS 526 CO 0.79 0.50 0.64 1.14 -0.92 0.00 0.00 175.35 177.50 3iho s GLN 527 N -1.87 3.04 0.12 1.68 1.03 -1.26 -4.88 119.66 117.52 3iho s GLN 527 Ca 0.37 -1.35 0.08 0.00 0.04 0.00 0.00 55.36 54.50 3iho s GLN 527 Cb -0.15 -4.25 -0.04 0.00 0.03 0.00 0.00 33.01 28.60 3iho s GLN 527 CO 0.19 -1.44 -0.20 1.67 -2.54 0.00 0.00 175.29 172.97 3iho s TRP 528 N 2.41 1.81 -0.24 9.60 1.48 -1.26 -5.07 118.94 127.67 3iho s TRP 528 Ca 0.10 -0.43 0.04 0.00 -1.06 0.00 0.00 56.10 54.75 3iho s TRP 528 Cb -0.25 -0.97 -0.19 0.00 -1.16 0.00 0.00 33.47 30.90 3iho s TRP 528 CO 0.06 0.24 -0.12 1.63 -4.06 0.00 0.00 176.95 174.70 3iho n LYS 529 N 0.88 0.66 -4.54 3.25 4.76 -1.26 -4.99 118.16 116.92 3iho n LYS 529 Ca -0.18 0.13 -0.28 0.00 -2.87 0.00 0.00 58.31 55.11 3iho n LYS 529 Cb 0.54 -1.54 -0.13 0.00 -1.84 0.00 0.00 35.03 32.06 3iho n LYS 529 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 3iho s TYR 530 N -2.52 2.18 -0.80 2.13 1.51 -1.26 -5.02 117.35 113.57 3iho s TYR 530 Ca -0.29 -0.39 0.24 0.00 -1.01 0.00 0.00 57.07 55.61 3iho s TYR 530 Cb 0.08 -1.23 0.92 0.00 -0.11 0.00 0.00 41.96 41.62 3iho s TYR 530 CO 0.66 0.23 1.73 -0.35 -1.11 0.00 0.00 175.55 176.71 3iho n PRO 531 N 1.27 0.12 0.33 -1.71 -0.04 -1.26 -2.04 135.00 131.67 3iho n PRO 531 Ca -0.18 0.22 0.21 0.00 -0.04 0.00 0.00 63.50 63.72 3iho n PRO 531 Cb 0.53 -1.68 1.15 0.00 -0.04 0.00 0.00 33.50 33.46 3iho n PRO 531 CO 0.00 0.00 0.00 0.97 -0.04 0.00 0.00 175.50 176.43 3iho h ILE 532 N 0.00 0.07 0.00 0.52 6.09 -1.87 -1.70 117.51 120.62 3iho h ILE 532 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 3iho h ILE 532 Cb 0.47 0.97 0.00 0.00 0.47 0.00 0.00 36.82 38.73 3iho h ILE 532 CO 0.00 0.00 0.00 -0.62 -3.07 0.00 0.00 178.15 174.46 3iho n GLU 533 N -3.16 0.07 -3.50 2.19 1.02 -0.87 -4.83 120.64 111.57 3iho n GLU 533 Ca -0.03 0.13 -0.36 0.00 -0.02 0.00 0.00 57.16 56.89 3iho n GLU 533 Cb 0.11 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 29.97 3iho n GLU 533 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3iho s LEU 534 N -2.90 4.39 0.13 -4.62 1.43 -0.64 -5.05 118.68 111.41 3iho s LEU 534 Ca 0.12 0.91 -0.35 0.00 -1.03 0.00 0.00 54.13 53.79 3iho s LEU 534 Cb 0.14 -2.93 -0.15 0.00 0.03 0.00 0.00 46.19 43.28 3iho s LEU 534 CO 0.36 0.20 1.48 1.57 0.23 0.00 0.00 176.35 180.20 3iho n HIS 535 N 1.16 1.97 -0.02 0.29 -0.00 -1.26 -2.49 115.22 114.86 3iho n HIS 535 Ca -0.09 0.42 0.00 0.00 -0.00 0.00 0.00 57.72 58.05 3iho n HIS 535 Cb 0.52 -2.46 0.00 0.00 -0.00 0.00 0.00 29.99 28.05 3iho n HIS 535 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3iho n GLY 536 N 3.06 0.91 3.62 1.57 0.00 -1.26 -4.30 105.19 108.78 3iho n GLY 536 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 3iho n GLY 536 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3iho s ILE 537 N -2.33 4.70 0.00 -0.61 -1.09 -1.04 -4.85 121.20 115.97 3iho s ILE 537 Ca 0.00 -0.07 0.00 0.00 -2.23 0.00 0.00 60.65 58.35 3iho s ILE 537 Cb 0.00 -3.11 0.00 0.00 -1.58 0.00 0.00 42.46 37.77 3iho s ILE 537 CO 0.00 0.46 0.00 0.61 -1.23 0.00 0.00 174.94 174.78 3iho n GLY 538 N 3.57 6.95 0.29 6.18 0.00 -1.26 -4.73 105.19 116.19 3iho n GLY 538 Ca -0.17 -1.92 -0.08 0.00 0.00 0.00 0.00 46.02 43.86 3iho n GLY 538 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3iho h LYS 539 N 0.00 -0.23 -0.05 1.61 3.64 -1.98 0.30 116.57 119.86 3iho h LYS 539 Ca 0.00 0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.43 3iho h LYS 539 Cb 0.00 0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 31.81 3iho h LYS 539 CO 0.00 -0.16 -0.42 -0.92 -2.27 0.00 0.00 179.45 175.69 3iho h TYR 540 N -0.24 -1.19 -0.51 1.91 3.20 -1.98 0.42 116.97 118.57 3iho h TYR 540 Ca 0.15 0.04 0.08 0.00 3.14 0.00 0.00 58.73 62.14 3iho h TYR 540 Cb 0.48 0.53 -0.10 0.00 1.54 0.00 0.00 36.73 39.18 3iho h TYR 540 CO -0.43 -0.49 -0.41 0.78 -1.64 0.00 0.00 178.16 175.97 3iho h GLY 541 N -0.54 -0.44 1.07 1.82 0.00 -1.78 -0.46 103.07 102.74 3iho h GLY 541 Ca 0.06 0.53 -0.13 0.00 0.00 0.00 0.00 47.33 47.79 3iho h GLY 541 CO -0.35 -0.18 -0.26 -0.57 0.00 0.00 0.00 176.54 175.19 3iho h ASN 542 N -0.26 0.93 -0.30 0.19 -1.24 0.53 -2.09 115.58 113.34 3iho h ASN 542 Ca 0.17 -0.43 0.04 0.00 0.71 0.00 0.00 56.30 56.79 3iho h ASN 542 Cb 0.57 -0.26 -0.04 0.00 0.73 0.00 0.00 38.32 39.32 3iho h ASN 542 CO -0.64 1.16 0.08 0.44 -1.29 0.00 0.00 177.43 177.18 3iho h ASP 543 N 0.71 0.06 -0.54 1.15 3.32 -0.04 -1.65 116.42 119.44 3iho h ASP 543 Ca 0.08 0.04 0.02 0.00 0.02 0.00 0.00 57.03 57.19 3iho h ASP 543 Cb 0.84 0.04 -0.03 0.00 0.22 0.00 0.00 39.33 40.40 3iho h ASP 543 CO 0.07 0.07 0.33 0.28 -1.72 0.00 0.00 179.24 178.27 3iho h SER 544 N 0.20 0.55 -0.38 6.45 0.02 -0.78 -1.57 113.55 118.03 3iho h SER 544 Ca 0.14 -0.00 0.07 0.00 -0.84 0.00 0.00 61.79 61.16 3iho h SER 544 Cb 0.13 -0.12 -0.06 0.00 0.14 0.00 0.00 62.40 62.49 3iho h SER 544 CO -0.16 0.39 0.00 0.22 -1.14 0.00 0.00 176.83 176.13 3iho h TYR 545 N 0.66 -0.02 0.00 3.45 3.20 -1.04 -2.19 116.97 121.03 3iho h TYR 545 Ca 0.21 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.11 3iho h TYR 545 Cb -0.00 0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.33 3iho h TYR 545 CO -0.06 -0.07 0.00 0.00 -1.64 0.00 0.00 178.16 176.39 3iho h ARG 546 N 0.10 0.00 0.02 1.82 3.08 -0.62 0.54 114.38 119.33 3iho h ARG 546 Ca 0.19 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.20 3iho h ARG 546 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.31 3iho h ARG 546 CO -0.31 0.00 -0.20 0.82 -1.07 0.00 0.00 179.97 179.21 3iho h ILE 547 N 0.00 1.71 0.04 2.04 2.04 -1.22 -1.16 117.51 120.96 3iho h ILE 547 Ca 0.00 -2.37 -0.38 0.00 1.00 0.00 0.00 64.86 63.11 3iho h ILE 547 Cb 0.78 3.31 -0.05 0.00 -0.74 0.00 0.00 36.82 40.11 3iho h ILE 547 CO 0.00 0.61 -2.30 0.49 0.00 0.00 0.00 178.15 176.96 3iho n PHE 548 N -4.52 0.45 0.06 1.37 3.01 -0.83 -4.57 117.46 112.43 3iho n PHE 548 Ca -0.12 0.10 -0.16 0.00 1.01 0.00 0.00 57.45 58.28 3iho n PHE 548 Cb 0.55 -1.06 -0.14 0.00 -0.01 0.00 0.00 39.48 38.82 3iho n PHE 548 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3iho s VAL 550 N -2.62 1.58 -1.02 0.00 -7.23 -0.87 -4.81 120.40 105.43 3iho s VAL 550 Ca -0.09 -2.06 -0.15 0.00 -1.81 0.00 0.00 61.98 57.87 3iho s VAL 550 Cb 0.07 -2.68 0.18 0.00 0.56 0.00 0.00 36.38 34.51 3iho s VAL 550 CO 0.85 -0.14 1.15 0.21 -0.31 0.00 0.00 175.10 176.86 3iho s ASN 551 N -3.51 6.87 -0.07 4.85 3.84 -1.26 -4.13 114.94 121.53 3iho s ASN 551 Ca 0.33 -2.64 0.19 0.00 0.21 0.00 0.00 52.86 50.95 3iho s ASN 551 Cb 0.07 -2.34 0.35 0.00 -0.55 0.00 0.00 41.25 38.77 3iho s ASN 551 CO 0.14 -0.78 1.15 -0.62 -2.79 0.00 0.00 177.10 174.20 3iho n GLU 552 N 5.33 0.41 0.00 0.43 1.02 -0.44 -4.95 120.64 122.44 3iho n GLU 552 Ca 0.26 -1.98 0.13 0.00 -0.02 0.00 0.00 57.16 55.55 3iho n GLU 552 Cb 0.46 -0.14 0.66 0.00 -0.02 0.00 0.00 31.44 32.40 3iho n GLU 552 CO 0.00 0.00 0.00 -2.67 1.18 0.00 0.00 177.13 175.64 3iho n TRP 553 N 0.03 0.00 0.04 -0.32 4.27 -1.19 -2.46 117.44 117.82 3iho n TRP 553 Ca -0.03 0.00 -0.09 0.00 -3.89 0.00 0.00 57.50 53.48 3iho n TRP 553 Cb 0.97 -0.34 -0.13 0.00 -1.36 0.00 0.00 31.31 30.45 3iho n TRP 553 CO 0.00 0.00 0.00 0.87 -2.29 0.00 0.00 177.69 176.27 3iho h LYS 554 N 0.00 0.05 -0.00 -2.67 1.57 -1.92 -3.25 116.57 110.34 3iho h LYS 554 Ca 0.00 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 3iho h LYS 554 Cb 0.31 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.65 3iho h LYS 554 CO 0.00 0.90 -0.02 1.04 -0.57 0.00 0.00 179.45 180.80 3iho n GLN 555 N -3.30 1.06 -3.78 3.15 6.02 -1.03 -4.87 117.38 114.64 3iho n GLN 555 Ca -0.07 -0.26 -0.32 0.00 -0.01 0.00 0.00 57.00 56.33 3iho n GLN 555 Cb 0.99 -1.49 -0.05 0.00 1.02 0.00 0.00 30.24 30.71 3iho n GLN 555 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3iho s VAL 556 N -2.12 5.28 -0.43 5.09 1.01 -1.21 -5.05 120.40 122.96 3iho s VAL 556 Ca 0.41 -0.04 0.04 0.00 0.00 0.00 0.00 61.98 62.39 3iho s VAL 556 Cb 0.21 -3.60 0.17 0.00 0.00 0.00 0.00 36.38 33.16 3iho s VAL 556 CO 0.39 0.19 0.35 -1.00 0.00 0.00 0.00 175.10 175.02 3iho s HIS 557 N -1.48 1.23 0.91 5.22 3.76 -1.26 -5.02 115.29 118.65 3iho s HIS 557 Ca 0.34 -2.38 -0.12 0.00 -0.15 0.00 0.00 55.06 52.75 3iho s HIS 557 Cb -0.13 -1.02 0.14 0.00 1.11 0.00 0.00 32.58 32.68 3iho s HIS 557 CO 0.22 -0.81 1.09 -1.25 -0.85 0.00 0.00 174.74 173.15 3iho s PRO 558 N -0.02 1.11 -0.35 8.40 0.04 -1.26 -4.98 135.00 137.94 3iho s PRO 558 Ca 0.32 0.72 0.15 0.00 0.04 0.00 0.00 61.00 62.23 3iho s PRO 558 Cb 0.03 -1.80 0.43 0.00 0.04 0.00 0.00 34.50 33.20 3iho s PRO 558 CO -0.20 -2.31 1.01 -0.85 0.04 0.00 0.00 177.00 174.69 3iho n GLU 559 N -3.92 1.13 -4.97 4.56 0.28 -1.26 -4.90 120.64 111.56 3iho n GLU 559 Ca 0.07 -2.94 -0.27 0.00 -0.16 0.00 0.00 57.16 53.85 3iho n GLU 559 Cb 0.56 -1.05 -0.16 0.00 1.43 0.00 0.00 31.44 32.22 3iho n GLU 559 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 3iho s ASP 560 N -2.61 2.42 0.05 -1.84 2.15 -1.26 -5.02 116.67 110.56 3iho s ASP 560 Ca 0.27 -0.39 -0.15 0.00 0.43 0.00 0.00 52.55 52.71 3iho s ASP 560 Cb 0.43 -0.57 -0.06 0.00 -0.30 0.00 0.00 42.92 42.42 3iho s ASP 560 CO -0.00 0.20 1.23 -0.74 -0.17 0.00 0.00 175.17 175.69 3iho h HIS 561 N 6.06 -0.67 0.30 -5.34 -0.00 -1.99 0.22 115.15 113.72 3iho h HIS 561 Ca -0.34 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.05 3iho h HIS 561 Cb 1.17 0.29 -0.03 0.00 -0.00 0.00 0.00 27.41 28.84 3iho h HIS 561 CO 0.42 -0.25 -0.34 0.87 -0.00 0.00 0.00 177.93 178.64 3iho h LYS 562 N -0.29 -0.65 -1.00 5.26 6.56 -2.00 -2.21 116.57 122.23 3iho h LYS 562 Ca 0.00 0.04 0.29 0.00 -1.06 0.00 0.00 60.65 59.92 3iho h LYS 562 Cb 0.31 0.15 -0.14 0.00 -0.57 0.00 0.00 32.23 31.98 3iho h LYS 562 CO -0.15 -0.44 0.57 -0.07 -2.06 0.00 0.00 179.45 177.31 3iho h LEU 563 N -0.68 0.58 -0.03 2.94 3.38 -1.96 -1.73 115.31 117.81 3iho h LEU 563 Ca -0.01 0.17 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 3iho h LEU 563 Cb 0.63 0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.47 3iho h LEU 563 CO -0.09 -0.03 -0.03 0.78 0.09 0.00 0.00 178.44 179.16 3iho h ASN 564 N 0.43 0.08 -1.00 -0.43 2.35 0.01 -1.66 115.58 115.37 3iho h ASN 564 Ca 0.69 -0.47 0.13 0.00 -0.55 0.00 0.00 56.30 56.11 3iho h ASN 564 Cb 1.47 -0.02 -0.15 0.00 0.05 0.00 0.00 38.32 39.67 3iho h ASN 564 CO -0.55 0.54 -0.45 0.29 -1.65 0.00 0.00 177.43 175.61 3iho n LYS 565 N -4.80 -0.30 0.07 0.81 5.02 -0.76 0.55 118.16 118.75 3iho n LYS 565 Ca -0.08 1.53 -0.12 0.00 -2.02 0.00 0.00 58.31 57.62 3iho n LYS 565 Cb 0.27 -2.26 -0.05 0.00 -0.02 0.00 0.00 35.03 32.97 3iho n LYS 565 CO 0.00 0.00 0.00 -0.92 -0.52 0.00 0.00 177.40 175.96 3iho h TYR 566 N 0.00 -0.88 -0.43 2.13 3.20 -1.19 -2.18 116.97 117.62 3iho h TYR 566 Ca 0.29 0.03 0.02 0.00 3.14 0.00 0.00 58.73 62.20 3iho h TYR 566 Cb 0.54 0.39 -0.03 0.00 1.54 0.00 0.00 36.73 39.17 3iho h TYR 566 CO -0.92 -0.41 0.26 1.25 -1.64 0.00 0.00 178.16 176.69 3iho h HIS 567 N -0.48 0.49 0.75 -3.82 2.76 0.17 0.52 115.15 115.53 3iho h HIS 567 Ca 0.06 0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.20 3iho h HIS 567 Cb 0.56 -0.16 0.01 0.00 1.55 0.00 0.00 27.41 29.37 3iho h HIS 567 CO -0.33 0.28 -0.36 -0.44 -1.30 0.00 0.00 177.93 175.78 3iho h ASP 568 N 0.52 -0.85 -0.80 3.26 3.32 0.13 -0.86 116.42 121.15 3iho h ASP 568 Ca 0.17 0.03 0.24 0.00 0.02 0.00 0.00 57.03 57.49 3iho h ASP 568 Cb 0.00 0.22 -0.15 0.00 0.22 0.00 0.00 39.33 39.62 3iho h ASP 568 CO -0.07 -0.57 0.07 1.87 -1.72 0.00 0.00 179.24 178.81 3iho n TRP 569 N -4.87 0.57 0.29 4.55 -0.00 -0.83 0.15 117.44 117.29 3iho n TRP 569 Ca -0.12 0.96 0.12 0.00 -0.00 0.00 0.00 57.50 58.46 3iho n TRP 569 Cb 0.39 -1.14 0.21 0.00 -0.00 0.00 0.00 31.31 30.78 3iho n TRP 569 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 177.69 178.94 3iho h LEU 570 N 0.00 0.00 -0.10 5.87 5.85 -0.52 -1.91 115.31 124.50 3iho h LEU 570 Ca 0.51 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 59.22 3iho h LEU 570 Cb 1.11 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.13 3iho h LEU 570 CO -0.73 0.00 0.00 -0.50 -0.34 0.00 0.00 178.44 176.87 3iho h TRP 571 N 0.00 0.19 -0.17 1.25 4.06 0.12 -2.35 115.95 119.04 3iho h TRP 571 Ca 0.00 -0.03 -0.12 0.00 2.06 0.00 0.00 58.89 60.80 3iho h TRP 571 Cb 0.96 -0.05 -0.01 0.00 -1.00 0.00 0.00 29.16 29.06 3iho h TRP 571 CO 0.00 0.42 -0.42 0.93 -3.56 0.00 0.00 178.44 175.81 3iho h GLU 572 N -0.10 0.39 0.00 0.49 5.08 -1.12 -3.29 114.58 116.03 3iho h GLU 572 Ca 0.03 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 3iho h GLU 572 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 3iho h GLU 572 CO 0.00 0.75 -1.15 0.09 -1.00 0.00 0.00 179.01 177.70 3iho n ASN 573 N -4.02 0.89 0.00 1.42 4.13 -0.74 -5.12 115.26 111.81 3iho n ASN 573 Ca -0.02 -0.57 0.00 0.00 1.68 0.00 0.00 54.58 55.67 3iho n ASN 573 Cb 0.50 1.28 0.00 0.00 -1.54 0.00 0.00 39.78 40.03 3iho n ASN 573 CO 0.00 0.00 0.00 1.57 0.28 0.00 0.00 177.26 179.11