#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cio n VAL 453 N 0.00 0.00 0.00 1.61 3.14 0.21 -4.66 118.33 118.63 3cio n VAL 453 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 3cio n VAL 453 Cb 0.00 -0.03 0.00 0.00 -1.06 0.00 0.00 33.84 32.75 3cio n VAL 453 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 3cio n GLU 454 N 0.00 0.00 -3.87 1.45 1.02 -1.26 -4.75 120.64 113.23 3cio n GLU 454 Ca 0.00 0.00 -0.23 0.00 -0.02 0.00 0.00 57.16 56.91 3cio n GLU 454 Cb 0.00 -1.56 -0.17 0.00 -0.02 0.00 0.00 31.44 29.69 3cio n GLU 454 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3cio s ALA 455 N -2.24 0.84 0.29 0.62 0.00 -1.26 -4.95 121.76 115.06 3cio s ALA 455 Ca 0.00 -0.21 0.03 0.00 0.00 0.00 0.00 51.96 51.78 3cio s ALA 455 Cb 0.00 -0.73 0.74 0.00 0.00 0.00 0.00 23.12 23.13 3cio s ALA 455 CO 0.00 -0.38 1.67 -1.35 0.00 0.00 0.00 175.76 175.70 3cio h PRO 456 N 8.11 0.27 0.00 0.00 0.11 -2.00 0.59 132.00 139.08 3cio h PRO 456 Ca -0.25 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.85 3cio h PRO 456 Cb 1.13 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3cio h PRO 456 CO 0.33 0.18 0.00 0.93 -0.21 0.00 0.00 178.00 179.23 3cio h GLU 457 N 0.28 0.00 0.00 1.05 3.07 -1.97 -2.73 114.58 114.28 3cio h GLU 457 Ca 0.56 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.42 3cio h GLU 457 Cb 1.13 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.04 3cio h GLU 457 CO -0.60 0.00 0.00 0.94 -1.40 0.00 0.00 179.01 177.95 3cio n GLN 458 N -2.88 0.38 -0.05 2.33 7.27 0.21 -2.43 117.38 122.20 3cio n GLN 458 Ca 0.03 0.07 -0.07 0.00 0.07 0.00 0.00 57.00 57.09 3cio n GLN 458 Cb 0.39 -1.50 -0.05 0.00 2.41 0.00 0.00 30.24 31.49 3cio n GLN 458 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 3cio n LEU 459 N -1.15 2.72 -0.34 1.69 7.99 -1.04 -4.58 117.00 122.29 3cio n LEU 459 Ca 0.10 -0.05 0.07 0.00 -0.01 0.00 0.00 56.01 56.12 3cio n LEU 459 Cb 0.10 -0.33 0.26 0.00 -0.11 0.00 0.00 43.42 43.34 3cio n LEU 459 CO 0.11 0.64 1.24 -0.33 -1.51 0.00 0.00 177.39 177.54 3cio h GLU 460 N 0.00 0.92 0.00 3.23 5.08 -1.34 0.10 114.58 122.58 3cio h GLU 460 Ca -0.24 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.06 3cio h GLU 460 Cb 1.39 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 30.43 3cio h GLU 460 CO -0.03 0.61 -0.03 1.05 -1.00 0.00 0.00 179.01 179.61 3cio h GLU 461 N 0.95 0.00 -0.01 2.33 -0.00 -1.73 0.50 114.58 116.62 3cio h GLU 461 Ca 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.83 3cio h GLU 461 Cb 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.23 3cio h GLU 461 CO -0.23 0.03 -0.00 0.72 -0.00 0.00 0.00 179.01 179.53 3cio n HIS 462 N -3.71 0.00 0.00 2.06 8.25 0.30 -4.88 115.22 117.24 3cio n HIS 462 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 3cio n HIS 462 Cb 0.12 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.23 3cio n HIS 462 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3cio n GLY 463 N 1.14 1.33 3.69 -1.41 0.00 0.18 -5.03 105.19 105.08 3cio n GLY 463 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 3cio n GLY 463 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3cio s ILE 464 N -2.39 4.05 -0.15 -0.61 1.01 -0.87 -4.92 121.20 117.32 3cio s ILE 464 Ca 0.00 1.39 -0.21 0.00 0.00 0.00 0.00 60.65 61.83 3cio s ILE 464 Cb 0.00 -3.90 -0.03 0.00 0.01 0.00 0.00 42.46 38.54 3cio s ILE 464 CO 0.00 -0.01 0.61 -0.94 0.00 0.00 0.00 174.94 174.61 3cio s SER 465 N 1.65 6.75 -0.43 3.58 1.04 -1.26 -2.83 113.70 122.19 3cio s SER 465 Ca 0.59 0.91 -0.16 0.00 0.48 0.00 0.00 55.95 57.77 3cio s SER 465 Cb -0.27 -2.35 0.04 0.00 0.10 0.00 0.00 66.02 63.54 3cio s SER 465 CO 0.23 -0.18 0.36 0.54 0.98 0.00 0.00 173.24 175.18 3cio s VAL 466 N 1.39 5.21 -0.11 5.02 0.11 -1.26 0.43 120.40 131.18 3cio s VAL 466 Ca 0.30 -0.72 0.30 0.00 -2.93 0.00 0.00 61.98 58.93 3cio s VAL 466 Cb -0.16 -4.02 0.33 0.00 -1.53 0.00 0.00 36.38 31.00 3cio s VAL 466 CO 0.12 -0.43 1.89 1.88 -3.33 0.00 0.00 175.10 175.23 3cio h TYR 467 N 8.70 0.00 -1.49 1.54 0.99 -1.15 -3.46 116.97 122.09 3cio h TYR 467 Ca -0.27 0.00 0.15 0.00 2.00 0.00 0.00 58.73 60.60 3cio h TYR 467 Cb 1.11 0.00 -0.23 0.00 1.00 0.00 0.00 36.73 38.62 3cio h TYR 467 CO 0.59 0.00 0.68 0.00 -0.00 0.00 0.00 178.16 179.43 3cio s ALA 468 N -3.54 -1.99 -0.15 3.88 0.00 -1.25 -4.62 121.76 114.09 3cio s ALA 468 Ca 0.02 1.61 0.02 0.00 0.00 0.00 0.00 51.96 53.61 3cio s ALA 468 Cb 0.09 -0.72 0.02 0.00 0.00 0.00 0.00 23.12 22.51 3cio s ALA 468 CO 0.47 -0.37 -0.19 0.99 0.00 0.00 0.00 175.76 176.67 3cio s THR 469 N -1.45 1.88 -0.17 0.00 2.01 -1.26 -1.24 115.64 115.40 3cio s THR 469 Ca 0.03 -0.85 0.01 0.00 0.31 0.00 0.00 61.69 61.19 3cio s THR 469 Cb -0.01 -1.69 0.02 0.00 0.01 0.00 0.00 72.50 70.82 3cio s THR 469 CO -0.03 0.51 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.59 3cio s ILE 470 N 1.11 2.15 0.54 1.82 1.01 0.34 -4.86 121.20 123.32 3cio s ILE 470 Ca -0.01 -0.92 -0.16 0.00 0.00 0.00 0.00 60.65 59.57 3cio s ILE 470 Cb -0.14 -1.90 -0.06 0.00 0.01 0.00 0.00 42.46 40.36 3cio s ILE 470 CO -0.07 0.53 1.01 -2.16 0.00 0.00 0.00 174.94 174.25 3cio s PRO 471 N 1.20 3.77 -0.06 2.79 0.04 -1.26 -1.20 135.00 140.29 3cio s PRO 471 Ca 0.03 0.99 -0.18 0.00 0.04 0.00 0.00 61.00 61.87 3cio s PRO 471 Cb -0.14 -2.11 -0.05 0.00 0.04 0.00 0.00 34.50 32.25 3cio s PRO 471 CO -0.10 -0.43 0.50 -1.64 0.04 0.00 0.00 177.00 175.38 3cio s MET 472 N -4.20 4.25 -0.05 4.56 -1.94 -1.09 -4.30 119.30 116.53 3cio s MET 472 Ca 0.59 0.54 -0.30 0.00 -1.71 0.00 0.00 55.69 54.81 3cio s MET 472 Cb -0.11 -3.36 -0.02 0.00 2.01 0.00 0.00 34.83 33.34 3cio s MET 472 CO 0.35 0.34 1.01 0.45 -0.01 0.00 0.00 175.02 177.16 3cio s SER 473 N 0.01 7.28 0.07 3.03 0.15 -1.26 -4.95 113.70 118.03 3cio s SER 473 Ca 0.27 1.63 0.02 0.00 0.70 0.00 0.00 55.95 58.57 3cio s SER 473 Cb -0.16 -2.56 -0.25 0.00 -1.71 0.00 0.00 66.02 61.34 3cio s SER 473 CO 0.13 -0.37 1.11 -0.33 1.20 0.00 0.00 173.24 174.99 3cio h GLU 474 N 6.97 0.13 0.00 5.44 5.08 -2.01 -3.18 114.58 127.01 3cio h GLU 474 Ca -0.36 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 57.77 3cio h GLU 474 Cb 1.18 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.51 3cio h GLU 474 CO 0.81 1.04 -0.06 2.35 -1.00 0.00 0.00 179.01 182.15 3cio h TRP 475 N 0.03 0.00 0.00 4.33 7.01 -2.00 -0.67 115.95 124.66 3cio h TRP 475 Ca -0.11 0.00 -0.02 0.00 2.11 0.00 0.00 58.89 60.87 3cio h TRP 475 Cb 1.90 0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 28.95 3cio h TRP 475 CO 0.03 0.06 -0.09 1.25 -2.79 0.00 0.00 178.44 176.90 3cio h LEU 476 N 0.00 0.00 0.10 0.65 7.12 -1.96 -2.05 115.31 119.16 3cio h LEU 476 Ca -0.00 0.00 -0.30 0.00 0.13 0.00 0.00 57.88 57.70 3cio h LEU 476 Cb 0.13 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.24 3cio h LEU 476 CO 0.01 0.09 -1.57 0.44 -0.13 0.00 0.00 178.44 177.27 3cio h ASP 477 N 0.00 0.33 -0.26 1.25 3.45 -1.22 -3.07 116.42 116.89 3cio h ASP 477 Ca -0.00 -0.49 -0.01 0.00 0.43 0.00 0.00 57.03 56.97 3cio h ASP 477 Cb 0.88 -0.11 -0.01 0.00 -0.56 0.00 0.00 39.33 39.52 3cio h ASP 477 CO 0.01 1.41 0.15 0.11 -1.57 0.00 0.00 179.24 179.35 3cio h LYS 478 N 0.06 0.39 0.00 3.56 1.57 -1.33 -3.52 116.57 117.30 3cio h LYS 478 Ca -0.25 -0.03 0.31 0.00 -1.87 0.00 0.00 60.65 58.80 3cio h LYS 478 Cb 2.01 -0.08 -0.08 0.00 0.08 0.00 0.00 32.23 34.16 3cio h LYS 478 CO 0.14 0.29 -0.41 0.54 -0.57 0.00 0.00 179.45 179.45 3cio n ARG 479 N -4.46 -2.26 -0.38 3.15 1.74 -0.78 -5.11 116.66 108.56 3cio n ARG 479 Ca 0.01 1.49 -0.04 0.00 -0.77 0.00 0.00 57.85 58.55 3cio n ARG 479 Cb 0.10 -2.76 -0.05 0.00 -1.02 0.00 0.00 32.46 28.72 3cio n ARG 479 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3cio n GLN 491 N -3.55 0.76 0.00 5.56 10.64 -1.26 -5.01 117.38 124.52 3cio n GLN 491 Ca 0.01 -0.31 0.00 0.00 -1.83 0.00 0.00 57.00 54.87 3cio n GLN 491 Cb 0.51 -1.58 0.00 0.00 -0.86 0.00 0.00 30.24 28.31 3cio n GLN 491 CO 0.00 0.00 0.00 0.94 -1.83 0.00 0.00 177.06 176.17 3cio n GLN 492 N 2.45 0.00 -1.50 2.61 -0.06 -1.26 -5.16 117.38 114.47 3cio n GLN 492 Ca 0.13 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.13 3cio n GLN 492 Cb 0.36 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.54 3cio n GLN 492 CO 0.00 0.00 0.00 2.89 -0.20 0.00 0.00 177.06 179.75 3cio n ARG 493 N -0.17 -4.21 -4.80 3.69 1.85 -1.26 -5.02 116.66 106.74 3cio n ARG 493 Ca 0.00 3.17 -0.25 0.00 -1.00 0.00 0.00 57.85 59.77 3cio n ARG 493 Cb 0.00 -3.66 -0.15 0.00 -1.05 0.00 0.00 32.46 27.60 3cio n ARG 493 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 3cio s HIS 494 N -3.84 1.53 0.00 2.89 3.76 -1.26 -5.14 115.29 113.23 3cio s HIS 494 Ca 0.00 -0.32 0.00 0.00 -0.15 0.00 0.00 55.06 54.59 3cio s HIS 494 Cb 0.00 -1.00 0.00 0.00 1.11 0.00 0.00 32.58 32.69 3cio s HIS 494 CO 0.00 -0.05 0.00 2.89 -0.85 0.00 0.00 174.74 176.73 3cio n ARG 495 N 2.76 0.00 -3.98 1.40 1.85 -1.26 -5.19 116.66 112.24 3cio n ARG 495 Ca -0.15 0.00 -0.15 0.00 -1.00 0.00 0.00 57.85 56.55 3cio n ARG 495 Cb 0.54 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.92 3cio n ARG 495 CO 0.00 0.00 0.00 -2.37 -0.01 0.00 0.00 177.63 175.25 3cio n THR 496 N 0.00 0.00 -1.00 8.89 5.66 -1.26 -5.15 114.28 121.43 3cio n THR 496 Ca 0.00 -1.81 0.10 0.00 -3.05 0.00 0.00 64.05 59.30 3cio n THR 496 Cb 0.00 1.10 -0.06 0.00 -1.55 0.00 0.00 70.33 69.82 3cio n THR 496 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 3cio n LYS 497 N -0.58 -2.36 -4.51 1.09 3.00 -1.26 -5.06 118.16 108.48 3cio n LYS 497 Ca 0.01 1.92 -0.25 0.00 -0.00 0.00 0.00 58.31 59.99 3cio n LYS 497 Cb 0.59 -2.68 -0.08 0.00 0.00 0.00 0.00 35.03 32.85 3cio n LYS 497 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 3cio s ASN 498 N -6.01 2.75 0.54 3.14 0.01 -1.26 -5.15 114.94 108.97 3cio s ASN 498 Ca 0.00 -1.63 -0.17 0.00 -0.71 0.00 0.00 52.86 50.35 3cio s ASN 498 Cb 0.00 0.43 -0.06 0.00 0.41 0.00 0.00 41.25 42.03 3cio s ASN 498 CO 0.00 -0.89 1.02 0.27 -1.51 0.00 0.00 177.10 175.99 3cio s ILE 499 N -3.22 4.13 0.01 0.60 -0.00 -1.26 -4.76 121.20 116.70 3cio s ILE 499 Ca 0.25 1.07 0.00 0.00 -0.00 0.00 0.00 60.65 61.97 3cio s ILE 499 Cb 0.03 -3.54 -0.01 0.00 -0.00 0.00 0.00 42.46 38.94 3cio s ILE 499 CO 0.14 -0.54 -0.02 -2.16 -0.00 0.00 0.00 174.94 172.37 3cio s PRO 500 N -3.92 0.18 -0.38 0.37 0.04 -1.26 -5.10 135.00 124.93 3cio s PRO 500 Ca 0.62 -0.34 0.04 0.00 0.04 0.00 0.00 61.00 61.36 3cio s PRO 500 Cb -0.13 0.04 0.11 0.00 0.04 0.00 0.00 34.50 34.56 3cio s PRO 500 CO 0.31 -0.02 0.11 0.12 0.04 0.00 0.00 177.00 177.56 3cio s PHE 501 N -0.79 3.39 0.28 0.56 5.36 -1.26 -5.01 117.98 120.50 3cio s PHE 501 Ca -0.08 -2.91 -0.03 0.00 -0.96 0.00 0.00 56.93 52.94 3cio s PHE 501 Cb -0.05 -2.76 0.57 0.00 -0.34 0.00 0.00 43.02 40.44 3cio s PHE 501 CO -0.01 -0.89 1.60 1.25 -1.46 0.00 0.00 175.22 175.71 3cio h LEU 502 N 7.38 -0.49 -0.83 6.12 5.85 -1.97 -0.45 115.31 130.91 3cio h LEU 502 Ca -0.06 0.25 0.15 0.00 0.84 0.00 0.00 57.88 59.06 3cio h LEU 502 Cb 0.99 0.45 -0.10 0.00 0.37 0.00 0.00 40.66 42.37 3cio h LEU 502 CO 0.55 -0.28 0.41 0.00 -0.34 0.00 0.00 178.44 178.78 3cio h ALA 503 N 1.87 1.25 0.01 1.25 0.00 -1.93 -1.53 119.26 120.17 3cio h ALA 503 Ca 0.50 0.10 -0.34 0.00 0.00 0.00 0.00 54.91 55.17 3cio h ALA 503 Cb 0.94 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.69 3cio h ALA 503 CO -0.83 -0.14 -2.06 1.33 0.00 0.00 0.00 179.25 177.55 3cio n VAL 504 N -4.91 1.53 0.07 0.00 0.24 -0.72 -3.99 118.33 110.55 3cio n VAL 504 Ca 0.17 -0.79 -0.03 0.00 -2.04 0.00 0.00 64.34 61.65 3cio n VAL 504 Cb 0.45 -0.91 -0.01 0.00 -1.47 0.00 0.00 33.84 31.90 3cio n VAL 504 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 3cio h ASP 505 N 0.01 -0.15 -3.86 -1.34 3.45 -0.94 -3.39 116.42 110.20 3cio h ASP 505 Ca -0.42 0.01 -0.69 0.00 0.43 0.00 0.00 57.03 56.35 3cio h ASP 505 Cb 2.10 0.04 -0.36 0.00 -0.56 0.00 0.00 39.33 40.55 3cio h ASP 505 CO 0.05 -0.08 -0.31 0.21 -1.57 0.00 0.00 179.24 177.54 3cio s ASN 506 N -2.73 5.38 0.31 6.45 3.04 -0.59 -4.94 114.94 121.87 3cio s ASN 506 Ca -0.03 -3.22 0.04 0.00 0.04 0.00 0.00 52.86 49.70 3cio s ASN 506 Cb 0.00 -1.84 0.52 0.00 -1.54 0.00 0.00 41.25 38.39 3cio s ASN 506 CO 0.08 -0.28 1.81 -0.65 -3.04 0.00 0.00 177.10 175.02 3cio h PRO 507 N 6.55 0.49 0.00 0.43 0.11 -1.69 -2.93 132.00 134.96 3cio h PRO 507 Ca 0.05 -0.14 0.00 0.00 0.11 0.00 0.00 66.00 66.02 3cio h PRO 507 Cb 0.89 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.95 3cio h PRO 507 CO 0.75 0.61 0.00 0.00 -0.21 0.00 0.00 178.00 179.15 3cio n ALA 508 N -2.48 2.01 -1.47 -0.75 0.00 -1.26 -4.55 120.51 112.01 3cio n ALA 508 Ca 0.01 -0.08 -0.41 0.00 0.00 0.00 0.00 53.44 52.96 3cio n ALA 508 Cb 0.32 -1.34 0.01 0.00 0.00 0.00 0.00 19.45 18.44 3cio n ALA 508 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3cio n ASP 509 N -1.43 -0.71 0.18 0.00 -0.08 -1.11 -4.78 116.55 108.62 3cio n ASP 509 Ca 0.07 0.88 0.02 0.00 -1.51 0.00 0.00 54.79 54.25 3cio n ASP 509 Cb 0.22 -1.15 0.34 0.00 2.34 0.00 0.00 41.12 42.87 3cio n ASP 509 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 3cio h SER 510 N 0.75 0.00 -0.20 1.67 4.64 -1.91 -2.14 113.55 116.36 3cio h SER 510 Ca -0.42 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 60.76 3cio h SER 510 Cb 1.39 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.47 3cio h SER 510 CO 0.51 0.40 -0.37 0.00 -0.87 0.00 0.00 176.83 176.51 3cio h ALA 511 N 1.60 0.76 -0.20 5.18 0.00 -1.90 -2.96 119.26 121.74 3cio h ALA 511 Ca -0.00 -0.43 -0.10 0.00 0.00 0.00 0.00 54.91 54.37 3cio h ALA 511 Cb 0.71 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 3cio h ALA 511 CO 0.05 0.65 -0.27 0.28 0.00 0.00 0.00 179.25 179.97 3cio h VAL 512 N 0.61 1.34 -0.68 0.00 2.07 -1.82 -2.90 116.25 114.86 3cio h VAL 512 Ca 0.06 -1.47 0.10 0.00 0.82 0.00 0.00 66.70 66.20 3cio h VAL 512 Cb 0.90 1.83 -0.04 0.00 -1.52 0.00 0.00 31.29 32.45 3cio h VAL 512 CO 0.08 0.45 0.45 -0.33 0.02 0.00 0.00 177.57 178.24 3cio h GLU 513 N 0.19 0.50 -0.12 1.57 4.39 -1.38 -0.63 114.58 119.10 3cio h GLU 513 Ca 0.02 -0.03 -0.17 0.00 0.34 0.00 0.00 59.36 59.52 3cio h GLU 513 Cb 0.84 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.38 3cio h GLU 513 CO 0.06 0.33 -0.65 0.00 -1.16 0.00 0.00 179.01 177.59 3cio h ALA 514 N 1.66 0.65 -0.16 3.43 0.00 -1.45 -2.78 119.26 120.61 3cio h ALA 514 Ca 0.31 -0.56 -0.07 0.00 0.00 0.00 0.00 54.91 54.59 3cio h ALA 514 Cb 0.54 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3cio h ALA 514 CO -0.10 0.73 -0.20 0.28 0.00 0.00 0.00 179.25 179.95 3cio h VAL 515 N 0.33 1.22 -0.26 0.00 2.07 -0.94 -0.67 116.25 118.00 3cio h VAL 515 Ca -0.01 -1.01 -0.08 0.00 0.82 0.00 0.00 66.70 66.42 3cio h VAL 515 Cb 1.20 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 32.28 3cio h VAL 515 CO 0.11 0.31 -0.19 0.03 0.02 0.00 0.00 177.57 177.85 3cio h ARG 516 N 0.25 0.47 0.00 1.57 3.08 -1.16 0.18 114.38 118.76 3cio h ARG 516 Ca 0.04 -0.15 -0.08 0.00 0.07 0.00 0.00 59.98 59.86 3cio h ARG 516 Cb 0.50 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.50 3cio h ARG 516 CO 0.03 0.64 -0.38 0.00 -1.07 0.00 0.00 179.97 179.20 3cio h ALA 517 N 1.37 1.16 -0.11 0.04 0.00 -0.97 -0.46 119.26 120.29 3cio h ALA 517 Ca 0.07 -0.34 -0.15 0.00 0.00 0.00 0.00 54.91 54.49 3cio h ALA 517 Cb 0.58 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3cio h ALA 517 CO 0.04 0.47 -0.58 1.25 0.00 0.00 0.00 179.25 180.43 3cio h LEU 518 N 0.00 0.38 0.24 0.00 6.46 0.33 -2.17 115.31 120.55 3cio h LEU 518 Ca -0.00 -0.21 -0.01 0.00 -0.12 0.00 0.00 57.88 57.54 3cio h LEU 518 Cb 0.77 -0.11 0.00 0.00 -0.73 0.00 0.00 40.66 40.60 3cio h LEU 518 CO 0.05 0.87 -0.12 -0.09 -0.62 0.00 0.00 178.44 178.53 3cio h ARG 519 N 0.25 -0.31 -0.79 1.25 2.43 0.11 -1.89 114.38 115.42 3cio h ARG 519 Ca -0.00 0.02 0.18 0.00 -0.81 0.00 0.00 59.98 59.37 3cio h ARG 519 Cb 1.09 0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 30.66 3cio h ARG 519 CO 0.10 0.01 0.53 1.15 -1.51 0.00 0.00 179.97 180.25 3cio h THR 520 N -0.66 0.72 -0.11 0.20 2.02 -1.08 0.16 112.91 114.17 3cio h THR 520 Ca -0.03 -0.11 -0.08 0.00 0.77 0.00 0.00 66.41 66.96 3cio h THR 520 Cb 0.47 0.37 0.00 0.00 -1.74 0.00 0.00 68.15 67.25 3cio h THR 520 CO 0.05 0.06 -0.23 0.28 0.37 0.00 0.00 175.52 176.05 3cio h SER 521 N 0.32 0.40 -0.30 4.18 0.02 -1.22 -3.17 113.55 113.78 3cio h SER 521 Ca 0.39 -0.56 -0.08 0.00 -0.84 0.00 0.00 61.79 60.70 3cio h SER 521 Cb 1.06 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 63.47 3cio h SER 521 CO -0.11 0.89 -0.07 -0.07 -1.14 0.00 0.00 176.83 176.33 3cio h LEU 522 N -0.08 0.66 -0.63 5.07 -0.00 -0.45 -0.23 115.31 119.65 3cio h LEU 522 Ca 0.00 -0.17 0.13 0.00 -0.00 0.00 0.00 57.88 57.84 3cio h LEU 522 Cb 0.82 -0.18 -0.11 0.00 -0.00 0.00 0.00 40.66 41.20 3cio h LEU 522 CO 0.05 0.78 -0.02 -0.74 -0.00 0.00 0.00 178.44 178.51 3cio h HIS 523 N 0.63 -0.09 0.09 1.13 2.76 -0.70 1.77 115.15 120.74 3cio h HIS 523 Ca 0.12 0.05 -0.00 0.00 -2.20 0.00 0.00 60.37 58.33 3cio h HIS 523 Cb 0.50 0.14 0.00 0.00 1.55 0.00 0.00 27.41 29.59 3cio h HIS 523 CO 0.02 -0.19 -0.04 0.74 -1.30 0.00 0.00 177.93 177.16 3cio h PHE 524 N 0.10 -0.11 -0.82 5.26 0.04 -1.48 -3.34 116.94 116.59 3cio h PHE 524 Ca 0.33 -0.00 0.10 0.00 2.80 0.00 0.00 57.97 61.19 3cio h PHE 524 Cb 0.53 0.04 -0.11 0.00 2.20 0.00 0.00 35.95 38.61 3cio h PHE 524 CO -0.39 -0.07 -0.41 0.00 -0.60 0.00 0.00 178.31 176.83 3cio n ALA 525 N -2.18 -0.35 -1.11 2.45 0.00 -0.12 -0.42 120.51 118.79 3cio n ALA 525 Ca -0.01 0.74 -0.23 0.00 0.00 0.00 0.00 53.44 53.93 3cio n ALA 525 Cb 0.05 -0.22 -0.11 0.00 0.00 0.00 0.00 19.45 19.17 3cio n ALA 525 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3cio n MET 526 N -5.10 2.70 -4.20 0.00 2.81 0.60 -4.84 117.12 109.09 3cio n MET 526 Ca 0.04 -1.50 -0.34 0.00 -1.81 0.00 0.00 57.70 54.09 3cio n MET 526 Cb 0.26 -2.34 -0.11 0.00 -0.71 0.00 0.00 33.22 30.32 3cio n MET 526 CO 0.00 0.00 0.00 1.41 1.51 0.00 0.00 175.97 178.89 3cio s MET 527 N 1.56 3.80 -0.52 0.03 0.00 0.45 -4.74 119.30 119.88 3cio s MET 527 Ca 0.67 -0.44 -0.29 0.00 0.00 0.00 0.00 55.69 55.63 3cio s MET 527 Cb 0.25 -3.06 0.04 0.00 0.00 0.00 0.00 34.83 32.07 3cio s MET 527 CO -0.03 0.24 0.63 0.39 0.00 0.00 0.00 175.02 176.25 3cio n GLU 528 N 3.59 -1.76 0.00 4.11 1.02 -1.26 -4.86 120.64 121.47 3cio n GLU 528 Ca -0.17 1.20 0.00 0.00 -0.02 0.00 0.00 57.16 58.17 3cio n GLU 528 Cb 0.52 -1.96 0.00 0.00 -0.02 0.00 0.00 31.44 29.98 3cio n GLU 528 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3cio n THR 529 N -0.76 0.00 0.00 2.62 -2.24 -1.26 -5.03 114.28 107.61 3cio n THR 529 Ca -0.14 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 3cio n THR 529 Cb 0.66 1.25 0.00 0.00 -2.10 0.00 0.00 70.33 70.14 3cio n THR 529 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3cio n GLU 530 N -0.22 0.00 -2.87 -0.78 1.02 -1.26 -4.89 120.64 111.64 3cio n GLU 530 Ca 0.00 0.00 -0.40 0.00 -0.02 0.00 0.00 57.16 56.74 3cio n GLU 530 Cb 0.06 -0.25 -0.05 0.00 -0.02 0.00 0.00 31.44 31.18 3cio n GLU 530 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 3cio s ASN 531 N 0.00 7.45 -0.23 1.62 3.84 -1.26 -4.98 114.94 121.38 3cio s ASN 531 Ca 0.00 1.72 0.10 0.00 0.21 0.00 0.00 52.86 54.89 3cio s ASN 531 Cb 0.00 -2.54 0.44 0.00 -0.55 0.00 0.00 41.25 38.59 3cio s ASN 531 CO 0.00 0.10 1.26 0.59 -2.79 0.00 0.00 177.10 176.26 3cio n ASN 532 N 2.06 2.06 -4.58 -4.21 5.03 -1.26 -4.72 115.26 109.64 3cio n ASN 532 Ca -0.02 -3.88 -0.36 0.00 0.87 0.00 0.00 54.58 51.19 3cio n ASN 532 Cb 0.49 -0.53 -0.11 0.00 -1.02 0.00 0.00 39.78 38.60 3cio n ASN 532 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3cio s ILE 533 N -3.34 4.76 -0.23 2.41 1.01 -1.26 -1.07 121.20 123.48 3cio s ILE 533 Ca 0.40 -0.03 0.00 0.00 0.00 0.00 0.00 60.65 61.02 3cio s ILE 533 Cb 0.38 -3.19 0.03 0.00 0.01 0.00 0.00 42.46 39.69 3cio s ILE 533 CO -0.05 0.39 -0.11 -0.22 0.00 0.00 0.00 174.94 174.94 3cio s LEU 534 N 0.98 2.92 -0.17 2.97 2.96 0.60 -2.18 118.68 126.77 3cio s LEU 534 Ca 0.05 -0.91 -0.17 0.00 -0.22 0.00 0.00 54.13 52.88 3cio s LEU 534 Cb -0.14 -1.59 -0.04 0.00 0.50 0.00 0.00 46.19 44.93 3cio s LEU 534 CO 0.03 -0.10 0.43 -0.32 -1.32 0.00 0.00 176.35 175.07 3cio s MET 535 N 1.27 4.24 -0.11 1.98 -2.45 -1.00 -1.13 119.30 122.10 3cio s MET 535 Ca -0.00 0.30 -0.01 0.00 -1.25 0.00 0.00 55.69 54.73 3cio s MET 535 Cb -0.16 -3.49 -0.03 0.00 1.25 0.00 0.00 34.83 32.40 3cio s MET 535 CO -0.07 0.05 -0.07 0.42 1.05 0.00 0.00 175.02 176.39 3cio s ILE 536 N 1.02 3.64 0.24 10.11 -1.09 0.19 -1.62 121.20 133.68 3cio s ILE 536 Ca 0.22 -0.48 -0.14 0.00 -2.23 0.00 0.00 60.65 58.02 3cio s ILE 536 Cb -0.15 -2.53 0.00 0.00 -1.58 0.00 0.00 42.46 38.21 3cio s ILE 536 CO 0.08 0.55 0.50 0.28 -1.23 0.00 0.00 174.94 175.12 3cio s THR 537 N -0.21 0.01 0.35 2.92 -1.32 -0.77 -0.92 115.64 115.71 3cio s THR 537 Ca 0.03 -1.26 0.04 0.00 -1.21 0.00 0.00 61.69 59.29 3cio s THR 537 Cb -0.13 -2.05 -0.06 0.00 -1.51 0.00 0.00 72.50 68.74 3cio s THR 537 CO 0.03 -0.04 0.05 -0.83 -2.21 0.00 0.00 174.62 171.62 3cio s GLY 538 N -2.98 2.23 -0.01 6.08 0.00 -1.26 0.85 107.32 112.23 3cio s GLY 538 Ca 0.19 -2.01 -0.23 0.00 0.00 0.00 0.00 44.72 42.66 3cio s GLY 538 CO 0.06 -1.89 1.07 0.00 0.00 0.00 0.00 173.10 172.34 3cio h ALA 539 N 2.00 -0.49 -4.65 3.20 0.00 -1.92 -1.77 119.26 115.64 3cio h ALA 539 Ca -0.41 -0.19 -0.44 0.00 0.00 0.00 0.00 54.91 53.87 3cio h ALA 539 Cb 1.25 0.19 -0.10 0.00 0.00 0.00 0.00 17.79 19.12 3cio h ALA 539 CO 0.71 -0.56 -0.39 0.25 0.00 0.00 0.00 179.25 179.26 3cio n THR 540 N -5.14 0.00 -1.83 0.00 -2.24 -1.26 -1.77 114.28 102.04 3cio n THR 540 Ca -0.09 -2.01 -0.34 0.00 -2.27 0.00 0.00 64.05 59.34 3cio n THR 540 Cb 0.28 0.82 0.05 0.00 -2.10 0.00 0.00 70.33 69.38 3cio n THR 540 CO 0.00 0.00 0.00 -2.84 -0.57 0.00 0.00 175.07 171.66 3cio s PRO 541 N -3.24 2.80 -1.04 -0.78 0.02 -1.26 -4.01 135.00 127.49 3cio s PRO 541 Ca 0.23 1.59 -0.02 0.00 0.02 0.00 0.00 61.00 62.81 3cio s PRO 541 Cb 0.01 -1.93 0.00 0.00 0.02 0.00 0.00 34.50 32.60 3cio s PRO 541 CO 0.16 -1.29 0.88 -3.47 -0.33 0.00 0.00 177.00 172.95 3cio n ASP 542 N -2.12 -3.16 0.00 2.53 -0.08 -1.26 -4.93 116.55 107.53 3cio n ASP 542 Ca 0.12 -0.49 0.11 0.00 -1.51 0.00 0.00 54.79 53.01 3cio n ASP 542 Cb 0.51 -4.32 -0.03 0.00 2.34 0.00 0.00 41.12 39.61 3cio n ASP 542 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 3cio n SER 543 N -2.61 0.76 -0.16 1.67 3.41 -1.26 -4.89 113.62 110.55 3cio n SER 543 Ca -0.16 -0.65 -0.02 0.00 -0.26 0.00 0.00 58.87 57.78 3cio n SER 543 Cb 0.61 0.92 -0.00 0.00 -0.26 0.00 0.00 64.21 65.47 3cio n SER 543 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3cio n GLY 544 N 1.46 0.42 0.24 5.00 0.00 -1.26 -4.43 105.19 106.62 3cio n GLY 544 Ca 0.03 -0.93 -0.02 0.00 0.00 0.00 0.00 46.02 45.10 3cio n GLY 544 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3cio h LYS 545 N 0.00 0.44 -0.03 1.61 2.10 -1.92 -2.23 116.57 116.54 3cio h LYS 545 Ca -0.04 -0.15 -0.09 0.00 -2.00 0.00 0.00 60.65 58.37 3cio h LYS 545 Cb 0.51 -0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 31.79 3cio h LYS 545 CO 0.05 0.64 -0.41 1.15 -2.00 0.00 0.00 179.45 178.88 3cio h THR 546 N 0.40 1.30 -0.04 0.07 2.02 -1.98 -0.29 112.91 114.39 3cio h THR 546 Ca 0.06 -1.44 -0.01 0.00 0.77 0.00 0.00 66.41 65.79 3cio h THR 546 Cb 0.60 1.73 -0.00 0.00 -1.74 0.00 0.00 68.15 68.74 3cio h THR 546 CO 0.04 0.42 -0.02 0.15 0.37 0.00 0.00 175.52 176.48 3cio h PHE 547 N 0.06 0.09 -0.07 3.16 3.04 -1.82 -0.96 116.94 120.43 3cio h PHE 547 Ca 0.00 -0.02 0.01 0.00 3.98 0.00 0.00 57.97 61.94 3cio h PHE 547 Cb 0.75 -0.02 -0.01 0.00 2.56 0.00 0.00 35.95 39.23 3cio h PHE 547 CO 0.00 0.48 0.01 0.28 -2.02 0.00 0.00 178.31 177.07 3cio h VAL 548 N -0.32 0.97 -0.04 1.41 2.07 -1.25 -1.05 116.25 118.04 3cio h VAL 548 Ca 0.01 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 3cio h VAL 548 Cb 0.46 0.92 -0.00 0.00 -1.52 0.00 0.00 31.29 31.15 3cio h VAL 548 CO 0.01 0.01 0.00 0.77 0.02 0.00 0.00 177.57 178.38 3cio h SER 549 N 0.05 0.06 -0.64 0.57 4.64 -1.07 -0.66 113.55 116.50 3cio h SER 549 Ca 0.03 -0.28 -0.01 0.00 -0.47 0.00 0.00 61.79 61.06 3cio h SER 549 Cb 0.02 -0.02 -0.03 0.00 -0.31 0.00 0.00 62.40 62.07 3cio h SER 549 CO -0.04 0.33 0.36 0.77 -0.87 0.00 0.00 176.83 177.38 3cio h SER 550 N -0.21 0.79 0.05 4.97 4.64 -1.17 -0.47 113.55 122.15 3cio h SER 550 Ca 0.01 -0.06 -0.15 0.00 -0.47 0.00 0.00 61.79 61.12 3cio h SER 550 Cb 0.29 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.17 3cio h SER 550 CO 0.00 0.64 -0.52 0.74 -0.87 0.00 0.00 176.83 176.82 3cio h THR 551 N 0.90 1.32 -0.40 2.95 2.02 -1.07 -2.39 112.91 116.25 3cio h THR 551 Ca 0.23 -1.75 -0.05 0.00 0.77 0.00 0.00 66.41 65.61 3cio h THR 551 Cb 0.01 1.74 -0.02 0.00 -1.74 0.00 0.00 68.15 68.15 3cio h THR 551 CO -0.04 0.54 0.06 0.25 0.37 0.00 0.00 175.52 176.71 3cio h LEU 552 N 0.40 0.64 -0.31 2.58 5.85 -0.60 -0.39 115.31 123.48 3cio h LEU 552 Ca 0.01 -0.26 0.04 0.00 0.84 0.00 0.00 57.88 58.51 3cio h LEU 552 Cb 1.04 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.86 3cio h LEU 552 CO 0.10 0.74 0.09 0.00 -0.34 0.00 0.00 178.44 179.02 3cio h ALA 553 N 0.92 0.35 -0.38 1.25 0.00 -0.98 0.72 119.26 121.14 3cio h ALA 553 Ca 0.12 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3cio h ALA 553 Cb 0.37 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 3cio h ALA 553 CO 0.01 -0.32 0.21 0.00 0.00 0.00 0.00 179.25 179.15 3cio h ALA 554 N 1.21 0.48 -0.27 0.00 0.00 -1.25 -0.45 119.26 118.99 3cio h ALA 554 Ca 0.14 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3cio h ALA 554 Cb 0.13 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3cio h ALA 554 CO -0.17 0.01 0.13 0.28 0.00 0.00 0.00 179.25 179.50 3cio h VAL 555 N 0.48 1.14 -0.13 0.00 2.07 -0.67 -0.67 116.25 118.47 3cio h VAL 555 Ca 0.13 -0.39 -0.02 0.00 0.82 0.00 0.00 66.70 67.24 3cio h VAL 555 Cb 0.05 0.91 -0.00 0.00 -1.52 0.00 0.00 31.29 30.73 3cio h VAL 555 CO -0.02 0.14 0.00 0.40 0.02 0.00 0.00 177.57 178.11 3cio h ILE 556 N 0.31 1.25 -0.72 4.57 2.04 -0.78 -3.03 117.51 121.15 3cio h ILE 556 Ca 0.09 -0.79 0.08 0.00 1.00 0.00 0.00 64.86 65.24 3cio h ILE 556 Cb 0.10 1.52 -0.07 0.00 -0.74 0.00 0.00 36.82 37.63 3cio h ILE 556 CO -0.01 0.23 0.39 0.00 0.00 0.00 0.00 178.15 178.75 3cio h ALA 557 N 0.76 0.99 -0.28 1.87 0.00 -1.04 0.53 119.26 122.11 3cio h ALA 557 Ca 0.04 0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.07 3cio h ALA 557 Cb 0.35 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3cio h ALA 557 CO 0.01 0.02 0.33 0.37 0.00 0.00 0.00 179.25 179.98 3cio h GLN 558 N 0.67 0.00 -0.29 0.00 5.75 -1.00 0.99 115.11 121.23 3cio h GLN 558 Ca 0.34 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.84 3cio h GLN 558 Cb 0.31 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.86 3cio h GLN 558 CO -0.24 0.00 0.00 0.43 -2.65 0.00 0.00 178.83 176.37 3cio n SER 559 N -3.67 0.55 -1.55 -0.69 7.64 0.18 -4.83 113.62 111.26 3cio n SER 559 Ca 0.04 -2.02 -0.06 0.00 1.01 0.00 0.00 58.87 57.85 3cio n SER 559 Cb 0.48 -0.16 0.02 0.00 -1.01 0.00 0.00 64.21 63.54 3cio n SER 559 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 3cio n ASP 560 N -0.25 -2.54 -4.25 6.43 8.00 0.32 -5.06 116.55 119.21 3cio n ASP 560 Ca 0.02 -0.16 -0.26 0.00 0.71 0.00 0.00 54.79 55.10 3cio n ASP 560 Cb 0.11 -1.79 -0.14 0.00 -0.02 0.00 0.00 41.12 39.29 3cio n ASP 560 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 3cio s GLN 561 N -4.80 1.44 -0.40 -1.24 2.00 -1.07 -5.05 119.66 110.54 3cio s GLN 561 Ca 0.07 -0.92 -0.24 0.00 -2.00 0.00 0.00 55.36 52.27 3cio s GLN 561 Cb -0.03 -1.53 0.02 0.00 0.80 0.00 0.00 33.01 32.26 3cio s GLN 561 CO 0.20 0.40 0.83 0.15 -0.50 0.00 0.00 175.29 176.37 3cio s LYS 562 N -1.08 3.67 0.06 1.67 1.02 -1.26 -4.24 119.74 119.57 3cio s LYS 562 Ca 0.08 0.25 0.08 0.00 0.02 0.00 0.00 55.97 56.40 3cio s LYS 562 Cb -0.09 -3.85 -0.03 0.00 -0.52 0.00 0.00 37.83 33.34 3cio s LYS 562 CO 0.01 -0.97 -0.23 0.14 -0.92 0.00 0.00 175.35 173.38 3cio s VAL 563 N 3.30 1.90 -0.11 3.17 -7.23 -1.26 -0.27 120.40 119.90 3cio s VAL 563 Ca 0.33 -1.36 0.03 0.00 -1.81 0.00 0.00 61.98 59.17 3cio s VAL 563 Cb -0.12 -1.65 0.01 0.00 0.56 0.00 0.00 36.38 35.17 3cio s VAL 563 CO 0.20 0.23 -0.21 -0.22 -0.31 0.00 0.00 175.10 174.78 3cio s LEU 564 N -1.36 2.01 -0.20 1.32 1.98 -0.67 -2.29 118.68 119.48 3cio s LEU 564 Ca 0.10 -0.53 -0.03 0.00 -2.89 0.00 0.00 54.13 50.77 3cio s LEU 564 Cb -0.09 -1.32 -0.01 0.00 0.66 0.00 0.00 46.19 45.42 3cio s LEU 564 CO 0.03 0.11 -0.06 0.12 -1.89 0.00 0.00 176.35 174.65 3cio s PHE 565 N 0.60 2.93 -0.10 5.38 2.19 0.39 -0.26 117.98 129.11 3cio s PHE 565 Ca -0.13 -0.87 0.04 0.00 0.33 0.00 0.00 56.93 56.29 3cio s PHE 565 Cb -0.17 -2.04 0.00 0.00 -1.31 0.00 0.00 43.02 39.50 3cio s PHE 565 CO 0.04 -0.47 -0.22 -1.50 1.83 0.00 0.00 175.22 174.90 3cio s ILE 566 N 1.21 1.90 -0.70 3.12 2.07 0.77 -0.88 121.20 128.69 3cio s ILE 566 Ca 0.02 -0.92 -0.21 0.00 -1.41 0.00 0.00 60.65 58.13 3cio s ILE 566 Cb -0.14 -1.66 0.09 0.00 0.13 0.00 0.00 42.46 40.87 3cio s ILE 566 CO -0.02 0.52 0.94 -0.62 -1.91 0.00 0.00 174.94 173.86 3cio s ASP 567 N 0.46 6.26 0.00 4.50 3.68 -0.68 -1.19 116.67 129.70 3cio s ASP 567 Ca -0.17 -1.29 0.14 0.00 2.13 0.00 0.00 52.55 53.36 3cio s ASP 567 Cb -0.17 -2.39 0.51 0.00 -1.45 0.00 0.00 42.92 39.41 3cio s ASP 567 CO 0.07 -1.30 1.37 0.00 0.13 0.00 0.00 175.17 175.44 3cio n ALA 568 N 7.21 2.49 -2.75 3.66 0.00 0.59 -3.83 120.51 127.88 3cio n ALA 568 Ca 0.00 -0.46 -0.43 0.00 0.00 0.00 0.00 53.44 52.55 3cio n ALA 568 Cb 0.46 -1.05 -0.01 0.00 0.00 0.00 0.00 19.45 18.85 3cio n ALA 568 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3cio s ASP 569 N -1.25 6.87 0.12 0.00 -1.08 -1.22 -4.63 116.67 115.49 3cio s ASP 569 Ca 0.24 -2.50 0.14 0.00 -0.52 0.00 0.00 52.55 49.91 3cio s ASP 569 Cb 0.13 -2.50 0.63 0.00 -1.46 0.00 0.00 42.92 39.72 3cio s ASP 569 CO 0.18 -1.04 1.42 0.18 0.52 0.00 0.00 175.17 176.43 3cio n LEU 570 N 7.27 0.26 -0.12 -1.34 4.77 -1.26 -0.52 117.00 126.06 3cio n LEU 570 Ca 0.40 0.59 -0.21 0.00 -0.03 0.00 0.00 56.01 56.77 3cio n LEU 570 Cb 0.46 -0.59 -0.10 0.00 -2.33 0.00 0.00 43.42 40.86 3cio n LEU 570 CO 0.68 -0.54 -1.31 0.54 -1.33 0.00 0.00 177.39 175.42 3cio n ARG 571 N -1.82 0.57 -0.56 3.23 1.74 -1.26 -4.38 116.66 114.18 3cio n ARG 571 Ca 0.01 0.18 0.05 0.00 -0.77 0.00 0.00 57.85 57.32 3cio n ARG 571 Cb 0.10 -1.44 0.09 0.00 -1.02 0.00 0.00 32.46 30.19 3cio n ARG 571 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3cio n ARG 572 N -3.57 0.73 -2.23 5.56 1.74 -1.19 -4.97 116.66 112.74 3cio n ARG 572 Ca -0.45 -2.15 -0.41 0.00 -0.77 0.00 0.00 57.85 54.07 3cio n ARG 572 Cb 0.91 -0.96 -0.03 0.00 -1.02 0.00 0.00 32.46 31.36 3cio n ARG 572 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3cio s GLY 573 N -2.23 2.82 -0.03 -0.13 0.00 0.32 -4.91 107.32 103.16 3cio s GLY 573 Ca 0.24 1.12 0.05 0.00 0.00 0.00 0.00 44.72 46.13 3cio s GLY 573 CO -0.03 1.87 0.93 1.58 0.00 0.00 0.00 173.10 177.45 3cio n TYR 574 N 1.53 0.00 0.26 1.90 0.18 -1.26 -4.80 117.16 114.97 3cio n TYR 574 Ca 0.02 -0.36 0.16 0.00 1.88 0.00 0.00 57.90 59.60 3cio n TYR 574 Cb 0.43 -0.07 0.82 0.00 -0.38 0.00 0.00 39.34 40.14 3cio n TYR 574 CO 0.00 0.00 0.00 0.66 -2.08 0.00 0.00 176.86 175.44 3cio h SER 575 N 0.00 0.00 0.21 9.48 4.64 -1.99 -0.50 113.55 125.39 3cio h SER 575 Ca 0.00 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.20 3cio h SER 575 Cb 1.04 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.11 3cio h SER 575 CO 0.00 0.00 -0.44 1.12 -0.87 0.00 0.00 176.83 176.64 3cio h HIS 576 N 0.00 0.34 -0.20 4.77 2.07 -1.87 -0.21 115.15 120.05 3cio h HIS 576 Ca 0.00 -0.10 -0.13 0.00 -2.85 0.00 0.00 60.37 57.29 3cio h HIS 576 Cb 0.09 -0.07 0.00 0.00 2.57 0.00 0.00 27.41 30.00 3cio h HIS 576 CO 0.00 0.68 -0.39 -0.91 -3.07 0.00 0.00 177.93 174.24 3cio h ASN 577 N 0.24 0.69 -0.65 3.10 -0.26 -1.35 0.92 115.58 118.27 3cio h ASN 577 Ca 0.02 -0.54 -0.08 0.00 -0.56 0.00 0.00 56.30 55.13 3cio h ASN 577 Cb 0.87 -0.20 -0.03 0.00 -1.06 0.00 0.00 38.32 37.90 3cio h ASN 577 CO 0.07 1.11 0.10 0.25 -1.06 0.00 0.00 177.43 177.89 3cio h LEU 578 N 0.31 1.05 -0.89 1.61 6.46 -1.31 -2.35 115.31 120.19 3cio h LEU 578 Ca 0.01 -0.26 0.00 0.00 -0.12 0.00 0.00 57.88 57.51 3cio h LEU 578 Cb 0.99 -0.28 0.00 0.00 -0.73 0.00 0.00 40.66 40.64 3cio h LEU 578 CO 0.09 1.05 -0.03 0.49 -0.62 0.00 0.00 178.44 179.42 3cio n PHE 579 N -4.21 0.00 -3.91 1.25 0.99 -0.11 -4.87 117.46 106.61 3cio n PHE 579 Ca 0.04 0.00 -0.40 0.00 -0.00 0.00 0.00 57.45 57.09 3cio n PHE 579 Cb 0.30 -0.01 0.03 0.00 -1.00 0.00 0.00 39.48 38.79 3cio n PHE 579 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.76 179.17 3cio n THR 580 N 0.05 -4.01 -4.33 4.37 -1.04 0.10 -4.93 114.28 104.49 3cio n THR 580 Ca 0.18 -0.71 -0.17 0.00 -2.04 0.00 0.00 64.05 61.31 3cio n THR 580 Cb 0.35 -3.14 -0.10 0.00 -1.82 0.00 0.00 70.33 65.61 3cio n THR 580 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3cio s VAL 581 N -3.47 1.34 0.56 12.58 0.11 0.03 -4.84 120.40 126.70 3cio s VAL 581 Ca 0.46 -2.10 -0.19 0.00 -2.93 0.00 0.00 61.98 57.22 3cio s VAL 581 Cb -0.22 -2.15 -0.05 0.00 -1.53 0.00 0.00 36.38 32.43 3cio s VAL 581 CO 0.93 -0.50 1.17 -0.55 -3.33 0.00 0.00 175.10 172.82 3cio s SER 582 N -3.29 5.50 -0.01 3.54 0.15 -1.26 -4.64 113.70 113.69 3cio s SER 582 Ca 0.24 2.29 0.03 0.00 0.70 0.00 0.00 55.95 59.21 3cio s SER 582 Cb 0.03 -2.59 0.08 0.00 -1.71 0.00 0.00 66.02 61.83 3cio s SER 582 CO 0.06 -1.37 1.06 -3.20 1.20 0.00 0.00 173.24 170.99 3cio n ASN 583 N -1.38 2.22 -0.10 5.45 5.15 -1.26 -4.73 115.26 120.61 3cio n ASN 583 Ca 0.12 -2.05 -0.09 0.00 -0.60 0.00 0.00 54.58 51.96 3cio n ASN 583 Cb 0.50 -0.07 -0.01 0.00 -0.53 0.00 0.00 39.78 39.67 3cio n ASN 583 CO 0.00 0.00 0.00 -0.08 1.40 0.00 0.00 177.26 178.58 3cio h GLU 584 N 0.42 0.43 -4.86 1.20 4.81 -1.94 -3.33 114.58 111.31 3cio h GLU 584 Ca 0.00 -0.03 -0.67 0.00 -0.13 0.00 0.00 59.36 58.53 3cio h GLU 584 Cb 0.58 -0.09 -0.37 0.00 0.63 0.00 0.00 28.75 29.49 3cio h GLU 584 CO 0.00 0.31 -0.80 -1.01 -0.73 0.00 0.00 179.01 176.78 3cio s HIS 585 N -6.07 3.18 0.00 0.92 3.76 -1.26 -4.57 115.29 111.24 3cio s HIS 585 Ca -0.13 -2.23 0.00 0.00 -0.15 0.00 0.00 55.06 52.55 3cio s HIS 585 Cb 0.10 -1.91 0.00 0.00 1.11 0.00 0.00 32.58 31.88 3cio s HIS 585 CO 0.71 -0.87 0.00 0.41 -0.85 0.00 0.00 174.74 174.15 3cio n GLY 586 N 4.46 5.11 0.29 -2.22 0.00 -1.26 -4.66 105.19 106.91 3cio n GLY 586 Ca -0.15 -1.34 0.05 0.00 0.00 0.00 0.00 46.02 44.58 3cio n GLY 586 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3cio h LEU 587 N 0.00 0.46 -0.76 0.99 5.85 -0.07 -2.72 115.31 119.06 3cio h LEU 587 Ca 0.00 0.09 -0.08 0.00 0.84 0.00 0.00 57.88 58.73 3cio h LEU 587 Cb 0.00 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 3cio h LEU 587 CO 0.00 0.21 0.09 0.77 -0.34 0.00 0.00 178.44 179.17 3cio h SER 588 N 0.59 0.99 -0.72 1.25 4.64 -1.43 -2.04 113.55 116.83 3cio h SER 588 Ca 0.42 -0.23 -0.04 0.00 -0.47 0.00 0.00 61.79 61.47 3cio h SER 588 Cb 0.56 -0.26 -0.03 0.00 -0.31 0.00 0.00 62.40 62.36 3cio h SER 588 CO -0.34 0.99 0.29 -0.33 -0.87 0.00 0.00 176.83 176.57 3cio h GLU 589 N 0.97 1.07 0.62 4.77 3.07 -1.75 -1.82 114.58 121.50 3cio h GLU 589 Ca 0.19 -0.19 -0.03 0.00 -0.50 0.00 0.00 59.36 58.83 3cio h GLU 589 Cb 0.43 -0.18 0.01 0.00 -0.84 0.00 0.00 28.75 28.17 3cio h GLU 589 CO 0.01 0.88 -0.30 -0.92 -1.40 0.00 0.00 179.01 177.29 3cio h TYR 590 N 1.03 -0.77 -0.64 4.33 3.20 -1.40 0.72 116.97 123.44 3cio h TYR 590 Ca 0.24 -0.02 0.16 0.00 3.14 0.00 0.00 58.73 62.25 3cio h TYR 590 Cb 0.20 0.25 -0.03 0.00 1.54 0.00 0.00 36.73 38.69 3cio h TYR 590 CO 0.02 -0.44 0.45 -0.07 -1.64 0.00 0.00 178.16 176.47 3cio h LEU 591 N -1.14 0.14 -0.18 2.82 3.38 -1.39 0.67 115.31 119.62 3cio h LEU 591 Ca -0.08 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3cio h LEU 591 Cb 0.67 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.40 3cio h LEU 591 CO 0.14 0.07 0.00 0.00 0.09 0.00 0.00 178.44 178.74 3cio n ALA 592 N -2.60 2.09 -0.40 1.53 0.00 -0.69 -4.90 120.51 115.55 3cio n ALA 592 Ca 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.55 3cio n ALA 592 Cb 0.60 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.62 3cio n ALA 592 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cio n GLY 593 N 0.92 0.70 0.17 0.00 0.00 0.23 -4.96 105.19 102.25 3cio n GLY 593 Ca 0.05 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.90 3cio n GLY 593 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3cio h LYS 594 N 4.17 0.53 -6.12 1.61 1.79 -1.04 -3.46 116.57 114.06 3cio h LYS 594 Ca 0.00 -0.47 -0.68 0.00 -2.18 0.00 0.00 60.65 57.32 3cio h LYS 594 Cb 0.00 0.11 -0.23 0.00 -1.58 0.00 0.00 32.23 30.53 3cio h LYS 594 CO 0.00 1.10 -0.76 -0.51 -1.08 0.00 0.00 179.45 178.20 3cio s ASP 595 N -6.77 4.14 0.70 0.86 1.01 -0.96 -4.97 116.67 110.68 3cio s ASP 595 Ca -0.12 -0.19 -0.14 0.00 0.71 0.00 0.00 52.55 52.81 3cio s ASP 595 Cb 0.05 -1.04 0.02 0.00 1.01 0.00 0.00 42.92 42.97 3cio s ASP 595 CO 0.84 0.32 1.12 -1.61 0.21 0.00 0.00 175.17 176.05 3cio s GLU 596 N -0.55 2.55 0.13 8.23 0.41 -1.26 -4.19 118.70 124.01 3cio s GLU 596 Ca 0.08 1.41 -0.23 0.00 -0.41 0.00 0.00 54.97 55.82 3cio s GLU 596 Cb -0.12 -1.92 -0.03 0.00 -1.78 0.00 0.00 34.13 30.29 3cio s GLU 596 CO 0.01 -1.45 1.65 1.25 -0.49 0.00 0.00 175.26 176.24 3cio h LEU 597 N -0.28 -0.59 -1.82 1.80 5.85 -1.99 -2.25 115.31 116.03 3cio h LEU 597 Ca -0.46 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.35 3cio h LEU 597 Cb 1.25 0.26 0.00 0.00 0.37 0.00 0.00 40.66 42.54 3cio h LEU 597 CO 0.52 -0.25 0.00 -0.55 -0.34 0.00 0.00 178.44 177.83 3cio h ASN 598 N -0.27 0.00 1.34 1.25 7.08 -1.93 -0.66 115.58 122.40 3cio h ASN 598 Ca 0.09 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.31 3cio h ASN 598 Cb 0.39 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.63 3cio h ASN 598 CO -0.24 0.00 -0.41 0.50 -2.08 0.00 0.00 177.43 175.20 3cio h LYS 599 N 0.00 0.00 -0.02 4.14 1.63 -1.77 -3.33 116.57 117.22 3cio h LYS 599 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 3cio h LYS 599 Cb 0.01 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.64 3cio h LYS 599 CO 0.00 0.00 -0.17 1.33 -3.45 0.00 0.00 179.45 177.16 3cio n VAL 600 N -2.56 0.00 -3.63 2.00 0.24 -0.26 -4.88 118.33 109.23 3cio n VAL 600 Ca 0.03 -0.42 -0.38 0.00 -2.04 0.00 0.00 64.34 61.54 3cio n VAL 600 Cb 0.49 1.27 -0.11 0.00 -1.47 0.00 0.00 33.84 34.02 3cio n VAL 600 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 3cio s ILE 601 N -1.66 5.11 0.48 1.34 1.01 -1.15 -4.45 121.20 121.89 3cio s ILE 601 Ca 0.17 0.10 0.02 0.00 0.00 0.00 0.00 60.65 60.94 3cio s ILE 601 Cb 0.14 -3.42 -0.01 0.00 0.01 0.00 0.00 42.46 39.17 3cio s ILE 601 CO 0.31 0.28 0.05 0.00 0.00 0.00 0.00 174.94 175.58 3cio s GLN 602 N 1.65 2.12 -0.10 2.79 -2.07 -0.41 -4.96 119.66 118.69 3cio s GLN 602 Ca 0.07 -2.35 0.02 0.00 -1.82 0.00 0.00 55.36 51.28 3cio s GLN 602 Cb -0.16 -1.17 -0.02 0.00 -1.09 0.00 0.00 33.01 30.58 3cio s GLN 602 CO 0.09 -0.43 -0.16 -1.58 -1.32 0.00 0.00 175.29 171.89 3cio s HIS 603 N -3.00 2.73 -0.73 9.60 5.65 -1.26 -0.15 115.29 128.12 3cio s HIS 603 Ca 0.10 -0.57 -0.19 0.00 0.25 0.00 0.00 55.06 54.66 3cio s HIS 603 Cb 0.01 -1.76 0.12 0.00 -1.18 0.00 0.00 32.58 29.78 3cio s HIS 603 CO 0.07 -0.14 0.87 0.12 -0.65 0.00 0.00 174.74 175.01 3cio s PHE 604 N 0.04 3.11 0.14 3.88 5.99 0.62 -4.90 117.98 126.86 3cio s PHE 604 Ca -0.06 -1.19 -0.32 0.00 0.00 0.00 0.00 56.93 55.36 3cio s PHE 604 Cb -0.15 -4.10 -0.09 0.00 0.00 0.00 0.00 43.02 38.68 3cio s PHE 604 CO 0.05 -1.35 1.55 0.78 -0.00 0.00 0.00 175.22 176.24 3cio h GLY 605 N 9.95 -0.95 1.21 13.12 0.00 -1.92 0.23 103.07 124.71 3cio h GLY 605 Ca -0.10 0.74 0.05 0.00 0.00 0.00 0.00 47.33 48.03 3cio h GLY 605 CO 1.06 -0.06 0.40 1.70 0.00 0.00 0.00 176.54 179.64 3cio h LYS 606 N -0.27 0.60 0.00 4.80 3.64 -1.95 -2.63 116.57 120.77 3cio h LYS 606 Ca 0.10 -0.04 -0.17 0.00 -1.27 0.00 0.00 60.65 59.28 3cio h LYS 606 Cb 0.54 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.19 3cio h LYS 606 CO -0.71 0.40 -1.19 0.78 -2.27 0.00 0.00 179.45 176.46 3cio h GLY 607 N 0.62 0.00 0.00 5.01 0.00 -1.84 -3.46 103.07 103.40 3cio h GLY 607 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.59 3cio h GLY 607 CO -0.07 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.08 3cio n GLY 608 N 1.37 0.43 3.10 4.60 0.00 0.75 -4.73 105.19 110.71 3cio n GLY 608 Ca -0.07 -0.91 -0.07 0.00 0.00 0.00 0.00 46.02 44.97 3cio n GLY 608 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3cio s PHE 609 N -2.00 0.45 0.24 1.61 -0.71 -1.20 -4.88 117.98 111.48 3cio s PHE 609 Ca 0.00 -0.96 -0.23 0.00 -1.04 0.00 0.00 56.93 54.70 3cio s PHE 609 Cb 0.00 -0.33 -0.09 0.00 -1.21 0.00 0.00 43.02 41.40 3cio s PHE 609 CO 0.00 -0.40 0.80 -0.51 -1.34 0.00 0.00 175.22 173.77 3cio s ASP 610 N -2.84 7.23 0.05 1.98 -0.00 -0.97 -0.27 116.67 121.85 3cio s ASP 610 Ca 0.06 1.60 0.02 0.00 -0.00 0.00 0.00 52.55 54.22 3cio s ASP 610 Cb 0.07 -2.49 -0.03 0.00 -0.00 0.00 0.00 42.92 40.47 3cio s ASP 610 CO -0.10 0.05 -0.07 0.68 -0.00 0.00 0.00 175.17 175.74 3cio s VAL 611 N -1.45 0.51 -0.19 -1.27 -7.23 0.79 -0.46 120.40 111.11 3cio s VAL 611 Ca 0.43 -1.26 -0.00 0.00 -1.81 0.00 0.00 61.98 59.34 3cio s VAL 611 Cb -0.19 -0.82 0.05 0.00 0.56 0.00 0.00 36.38 35.98 3cio s VAL 611 CO 0.23 -0.52 -0.05 -0.63 -0.31 0.00 0.00 175.10 173.83 3cio s ILE 612 N -1.94 1.17 1.00 -0.62 1.01 -0.06 -1.29 121.20 120.48 3cio s ILE 612 Ca -0.06 -0.78 -0.15 0.00 0.00 0.00 0.00 60.65 59.66 3cio s ILE 612 Cb -0.06 -1.40 0.20 0.00 0.01 0.00 0.00 42.46 41.21 3cio s ILE 612 CO -0.01 0.04 1.20 0.42 0.00 0.00 0.00 174.94 176.59 3cio s THR 613 N 1.59 1.89 0.27 2.92 -4.23 -1.26 -1.69 115.64 115.13 3cio s THR 613 Ca -0.01 0.00 0.09 0.00 -1.18 0.00 0.00 61.69 60.59 3cio s THR 613 Cb -0.16 -2.78 -0.02 0.00 1.34 0.00 0.00 72.50 70.88 3cio s THR 613 CO -0.07 0.00 1.61 0.08 -0.54 0.00 0.00 174.62 175.70 3cio h ARG 614 N -1.83 0.07 0.00 3.99 0.11 -1.89 0.29 114.38 115.12 3cio h ARG 614 Ca -0.47 -0.05 0.00 0.00 0.10 0.00 0.00 59.98 59.57 3cio h ARG 614 Cb 1.29 0.01 0.00 0.00 1.11 0.00 0.00 29.97 32.37 3cio h ARG 614 CO 0.46 0.64 0.00 0.41 0.10 0.00 0.00 179.97 181.58 3cio n GLY 615 N 0.20 -1.87 3.68 0.08 0.00 -1.26 -1.21 105.19 104.82 3cio n GLY 615 Ca -0.02 -1.64 -0.42 0.00 0.00 0.00 0.00 46.02 43.94 3cio n GLY 615 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3cio s GLN 616 N 0.00 4.36 -0.41 1.61 -1.52 -1.25 -4.90 119.66 117.55 3cio s GLN 616 Ca 0.00 1.57 -0.43 0.00 -1.95 0.00 0.00 55.36 54.55 3cio s GLN 616 Cb 0.00 -3.57 -0.17 0.00 -0.22 0.00 0.00 33.01 29.04 3cio s GLN 616 CO 0.00 -0.44 1.85 0.28 -0.25 0.00 0.00 175.29 176.73 3cio n VAL 617 N 4.70 0.13 -2.22 1.09 0.31 -1.26 -4.82 118.33 116.25 3cio n VAL 617 Ca 0.11 -0.05 -0.29 0.00 -0.01 0.00 0.00 64.34 64.09 3cio n VAL 617 Cb 0.47 -0.89 0.00 0.00 -0.91 0.00 0.00 33.84 32.51 3cio n VAL 617 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 3cio s PRO 618 N 4.29 3.58 0.42 5.55 0.04 -1.26 -4.99 135.00 142.63 3cio s PRO 618 Ca 1.07 0.52 0.28 0.00 0.04 0.00 0.00 61.00 62.91 3cio s PRO 618 Cb -1.28 -2.21 0.97 0.00 0.04 0.00 0.00 34.50 32.03 3cio s PRO 618 CO 0.69 -0.40 1.81 -1.35 0.04 0.00 0.00 177.00 177.79 3cio h PRO 619 N -0.05 0.00 -2.03 0.56 0.11 -1.99 -3.35 132.00 125.26 3cio h PRO 619 Ca -0.45 0.00 -0.55 0.00 0.11 0.00 0.00 66.00 65.10 3cio h PRO 619 Cb 1.20 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 31.91 3cio h PRO 619 CO 0.62 0.00 -1.06 0.27 -0.21 0.00 0.00 178.00 177.62 3cio n ASN 620 N -2.81 0.72 0.02 -2.05 2.04 -1.26 -5.01 115.26 106.90 3cio n ASN 620 Ca 0.02 -2.83 -0.10 0.00 -0.44 0.00 0.00 54.58 51.23 3cio n ASN 620 Cb 0.36 -0.64 -0.06 0.00 -2.53 0.00 0.00 39.78 36.91 3cio n ASN 620 CO 0.00 0.00 0.00 -0.65 -0.44 0.00 0.00 177.26 176.17 3cio h PRO 621 N 3.86 -0.40 -0.96 -0.53 0.11 -1.95 -2.52 132.00 129.60 3cio h PRO 621 Ca 0.09 0.03 0.12 0.00 0.11 0.00 0.00 66.00 66.34 3cio h PRO 621 Cb 0.86 0.09 -0.08 0.00 0.11 0.00 0.00 31.00 31.99 3cio h PRO 621 CO 0.51 -0.26 0.61 0.77 -0.21 0.00 0.00 178.00 179.42 3cio h SER 622 N -0.41 0.86 -0.70 -2.05 0.02 -1.96 -1.69 113.55 107.61 3cio h SER 622 Ca 0.01 0.04 -0.04 0.00 -0.84 0.00 0.00 61.79 60.97 3cio h SER 622 Cb 0.46 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.83 3cio h SER 622 CO -0.25 0.46 0.29 -0.33 -1.14 0.00 0.00 176.83 175.86 3cio h GLU 623 N 0.92 1.03 -0.87 3.45 3.07 -1.94 -2.92 114.58 117.33 3cio h GLU 623 Ca 0.47 -0.18 -0.01 0.00 -0.50 0.00 0.00 59.36 59.13 3cio h GLU 623 Cb 0.50 -0.17 -0.04 0.00 -0.84 0.00 0.00 28.75 28.20 3cio h GLU 623 CO -0.23 0.85 0.49 -0.07 -1.40 0.00 0.00 179.01 178.64 3cio h LEU 624 N 0.99 1.08 -2.31 1.33 3.38 -0.88 -2.44 115.31 116.46 3cio h LEU 624 Ca 0.23 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 3cio h LEU 624 Cb 0.19 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 3cio h LEU 624 CO -0.02 0.86 -0.04 -0.07 0.09 0.00 0.00 178.44 179.26 3cio h LEU 625 N 1.21 0.00 0.00 1.67 3.38 -1.28 -2.16 115.31 118.13 3cio h LEU 625 Ca 0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.28 3cio h LEU 625 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 3cio h LEU 625 CO -0.05 0.04 -0.51 0.23 0.09 0.00 0.00 178.44 178.24 3cio n MET 626 N -3.34 0.02 -1.52 1.13 2.81 -0.93 -4.74 117.12 110.55 3cio n MET 626 Ca -0.02 0.00 -0.34 0.00 -1.81 0.00 0.00 57.70 55.53 3cio n MET 626 Cb 0.17 -1.51 0.08 0.00 -0.71 0.00 0.00 33.22 31.25 3cio n MET 626 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 3cio s ARG 627 N -3.01 2.27 0.59 0.03 0.52 -0.81 -4.88 118.95 113.66 3cio s ARG 627 Ca 0.11 1.75 0.30 0.00 -0.52 0.00 0.00 55.73 57.37 3cio s ARG 627 Cb 0.17 -1.85 1.84 0.00 0.52 0.00 0.00 34.95 35.63 3cio s ARG 627 CO 0.70 -1.73 2.25 0.22 0.02 0.00 0.00 175.30 176.76 3cio h ASP 628 N -0.15 0.00 0.39 0.23 3.58 -1.91 -2.55 116.42 116.01 3cio h ASP 628 Ca -0.48 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 56.96 3cio h ASP 628 Cb 1.29 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.34 3cio h ASP 628 CO 0.51 0.00 -0.03 0.03 -2.88 0.00 0.00 179.24 176.86 3cio h ARG 629 N 0.00 0.00 -0.25 0.28 3.08 -1.90 -0.29 114.38 115.30 3cio h ARG 629 Ca 0.01 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.91 3cio h ARG 629 Cb 0.05 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 3cio h ARG 629 CO -0.00 0.03 -0.46 1.98 -1.07 0.00 0.00 179.97 180.45 3cio h MET 630 N 0.00 0.65 -0.21 0.04 4.05 -1.75 -1.26 114.93 116.45 3cio h MET 630 Ca -0.00 -0.36 -0.06 0.00 -0.28 0.00 0.00 59.70 59.00 3cio h MET 630 Cb 0.24 0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.05 3cio h MET 630 CO 0.00 0.97 -0.11 -0.09 0.23 0.00 0.00 176.91 177.92 3cio h ARG 631 N 0.52 0.44 -0.84 0.39 2.43 -1.25 -1.84 114.38 114.22 3cio h ARG 631 Ca 0.03 -0.20 0.01 0.00 -0.81 0.00 0.00 59.98 59.02 3cio h ARG 631 Cb 1.00 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.50 3cio h ARG 631 CO 0.09 0.73 0.56 1.96 -1.51 0.00 0.00 179.97 181.80 3cio h GLN 632 N 0.14 1.11 -0.03 0.20 4.20 -1.29 -0.43 115.11 119.01 3cio h GLN 632 Ca 0.05 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.69 3cio h GLN 632 Cb 0.60 -0.25 -0.00 0.00 0.30 0.00 0.00 27.48 28.13 3cio h GLN 632 CO 0.03 0.73 0.02 1.25 -0.67 0.00 0.00 178.83 180.19 3cio h LEU 633 N 1.14 0.03 -0.92 1.46 5.85 -1.11 0.64 115.31 122.40 3cio h LEU 633 Ca 0.31 -0.06 -0.10 0.00 0.84 0.00 0.00 57.88 58.87 3cio h LEU 633 Cb -0.13 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 3cio h LEU 633 CO -0.07 0.09 -0.25 -0.07 -0.34 0.00 0.00 178.44 177.79 3cio h LEU 634 N -0.02 0.50 -0.18 2.25 3.38 -1.05 0.24 115.31 120.43 3cio h LEU 634 Ca 0.01 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 57.75 3cio h LEU 634 Cb 0.06 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 3cio h LEU 634 CO -0.00 0.75 -0.12 -0.33 0.09 0.00 0.00 178.44 178.82 3cio h GLU 635 N 0.44 0.40 0.44 1.13 5.08 -0.94 -1.38 114.58 119.75 3cio h GLU 635 Ca 0.06 -0.19 -0.02 0.00 -1.00 0.00 0.00 59.36 58.21 3cio h GLU 635 Cb 0.68 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.93 3cio h GLU 635 CO 0.05 0.73 -0.21 2.35 -1.00 0.00 0.00 179.01 180.93 3cio h TRP 636 N 0.08 -0.54 -0.99 4.33 7.01 -0.68 -2.86 115.95 122.30 3cio h TRP 636 Ca 0.04 -0.01 0.16 0.00 2.11 0.00 0.00 58.89 61.18 3cio h TRP 636 Cb 0.63 0.18 -0.09 0.00 -2.10 0.00 0.00 29.16 27.77 3cio h TRP 636 CO 0.07 -0.32 0.62 0.00 -2.79 0.00 0.00 178.44 176.02 3cio h ALA 637 N -0.06 1.65 0.00 2.65 0.00 -0.54 -0.92 119.26 122.04 3cio h ALA 637 Ca -0.06 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3cio h ALA 637 Cb 0.47 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3cio h ALA 637 CO 0.10 0.04 0.00 -0.97 0.00 0.00 0.00 179.25 178.42 3cio h ASN 638 N 0.84 0.00 0.00 0.00 -1.24 -1.01 -1.42 115.58 112.75 3cio h ASN 638 Ca 0.53 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.54 3cio h ASN 638 Cb 0.74 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.79 3cio h ASN 638 CO -0.31 0.00 -1.11 0.47 -1.29 0.00 0.00 177.43 175.19 3cio n ASP 639 N -2.40 0.85 -0.00 1.15 8.00 -0.36 -4.48 116.55 119.29 3cio n ASP 639 Ca 0.00 -0.83 0.03 0.00 0.71 0.00 0.00 54.79 54.70 3cio n ASP 639 Cb 0.16 1.14 -0.04 0.00 -0.02 0.00 0.00 41.12 42.37 3cio n ASP 639 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3cio n HIS 640 N -1.59 0.00 -4.54 1.24 8.25 -0.90 -5.01 115.22 112.67 3cio n HIS 640 Ca 0.03 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.25 3cio n HIS 640 Cb 0.35 -0.02 -0.14 0.00 1.12 0.00 0.00 29.99 31.31 3cio n HIS 640 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 3cio s TYR 641 N -1.67 1.67 0.22 4.41 1.51 -0.59 -5.00 117.35 117.91 3cio s TYR 641 Ca 0.02 -0.37 0.14 0.00 -1.01 0.00 0.00 57.07 55.85 3cio s TYR 641 Cb 0.04 -0.98 0.50 0.00 -0.11 0.00 0.00 41.96 41.41 3cio s TYR 641 CO 0.25 0.09 1.67 -0.44 -1.11 0.00 0.00 175.55 176.00 3cio h ASP 642 N 4.81 0.00 -3.06 2.29 3.32 -0.96 -3.44 116.42 119.38 3cio h ASP 642 Ca -0.42 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.50 3cio h ASP 642 Cb 1.17 0.00 -0.28 0.00 0.22 0.00 0.00 39.33 40.44 3cio h ASP 642 CO 0.43 0.51 -0.36 -0.22 -1.72 0.00 0.00 179.24 177.88 3cio s LEU 643 N -7.37 -0.15 -0.27 1.55 1.98 -0.81 -4.86 118.68 108.76 3cio s LEU 643 Ca -0.01 0.83 -0.02 0.00 -2.89 0.00 0.00 54.13 52.04 3cio s LEU 643 Cb 0.12 1.19 0.03 0.00 0.66 0.00 0.00 46.19 48.19 3cio s LEU 643 CO 0.73 -0.20 -0.03 -0.69 -1.89 0.00 0.00 176.35 174.26 3cio s VAL 644 N 1.73 3.02 -0.24 1.68 1.01 -0.23 -1.66 120.40 125.70 3cio s VAL 644 Ca -0.07 -1.07 -0.10 0.00 0.00 0.00 0.00 61.98 60.74 3cio s VAL 644 Cb -0.10 -2.58 -0.05 0.00 0.00 0.00 0.00 36.38 33.65 3cio s VAL 644 CO -0.12 0.12 0.15 -0.63 0.00 0.00 0.00 175.10 174.62 3cio s ILE 645 N 1.33 5.25 -0.28 2.22 1.01 0.64 -0.29 121.20 131.08 3cio s ILE 645 Ca -0.01 0.14 -0.03 0.00 0.00 0.00 0.00 60.65 60.75 3cio s ILE 645 Cb -0.17 -3.45 0.03 0.00 0.01 0.00 0.00 42.46 38.87 3cio s ILE 645 CO -0.03 0.34 -0.00 -0.69 0.00 0.00 0.00 174.94 174.56 3cio s VAL 646 N 1.16 3.23 -0.26 2.92 1.01 -0.28 -0.16 120.40 128.01 3cio s VAL 646 Ca 0.07 -1.02 -0.18 0.00 0.00 0.00 0.00 61.98 60.85 3cio s VAL 646 Cb -0.14 -2.70 -0.03 0.00 0.00 0.00 0.00 36.38 33.51 3cio s VAL 646 CO 0.05 0.08 0.53 -0.62 0.00 0.00 0.00 175.10 175.14 3cio s ASP 647 N 1.36 6.45 0.25 3.32 3.68 -0.34 0.52 116.67 131.92 3cio s ASP 647 Ca -0.00 0.55 0.10 0.00 2.13 0.00 0.00 52.55 55.33 3cio s ASP 647 Cb -0.18 -2.29 -0.05 0.00 -1.45 0.00 0.00 42.92 38.96 3cio s ASP 647 CO -0.02 -0.29 -0.18 0.42 0.13 0.00 0.00 175.17 175.23 3cio s THR 648 N 2.31 2.18 0.80 1.71 -4.23 -0.09 -0.30 115.64 118.03 3cio s THR 648 Ca 0.22 -2.33 -0.13 0.00 -1.18 0.00 0.00 61.69 58.27 3cio s THR 648 Cb -0.16 -2.20 0.08 0.00 1.34 0.00 0.00 72.50 71.57 3cio s THR 648 CO 0.09 -0.47 1.21 -2.84 -0.54 0.00 0.00 174.62 172.07 3cio s PRO 649 N -3.55 1.63 0.53 3.99 0.02 -1.26 -4.37 135.00 131.99 3cio s PRO 649 Ca 0.27 1.79 -0.22 0.00 0.02 0.00 0.00 61.00 62.86 3cio s PRO 649 Cb -0.03 -1.77 -0.05 0.00 0.02 0.00 0.00 34.50 32.66 3cio s PRO 649 CO 0.12 -2.23 1.34 -2.14 -0.33 0.00 0.00 177.00 173.76 3cio s PRO 650 N -4.10 3.22 0.34 5.54 0.02 -1.26 -4.53 135.00 134.23 3cio s PRO 650 Ca 0.74 2.19 0.06 0.00 0.02 0.00 0.00 61.00 64.01 3cio s PRO 650 Cb -0.29 -2.28 0.62 0.00 0.02 0.00 0.00 34.50 32.57 3cio s PRO 650 CO 0.50 -1.11 1.85 0.52 -0.33 0.00 0.00 177.00 178.43 3cio h MET 651 N 1.54 0.39 -1.00 5.54 2.86 -1.31 -2.43 114.93 120.52 3cio h MET 651 Ca -0.51 -0.10 0.00 0.00 -2.06 0.00 0.00 59.70 57.03 3cio h MET 651 Cb 1.29 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.91 3cio h MET 651 CO 0.58 0.52 0.00 1.28 1.06 0.00 0.00 176.91 180.34 3cio n LEU 652 N -4.23 1.75 0.00 1.22 4.77 -0.73 -3.45 117.00 116.34 3cio n LEU 652 Ca 0.00 -0.88 0.00 0.00 -0.03 0.00 0.00 56.01 55.11 3cio n LEU 652 Cb 0.30 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 3cio n LEU 652 CO 0.39 0.34 -0.08 0.00 -1.33 0.00 0.00 177.39 176.71 3cio n ALA 653 N 0.20 1.55 -3.46 -1.18 0.00 -0.94 -4.97 120.51 111.71 3cio n ALA 653 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 3cio n ALA 653 Cb 0.34 0.06 -0.04 0.00 0.00 0.00 0.00 19.45 19.81 3cio n ALA 653 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3cio s VAL 654 N -1.17 0.00 -0.46 0.00 -7.23 -1.08 -5.04 120.40 105.43 3cio s VAL 654 Ca 0.00 -0.02 0.26 0.00 -1.81 0.00 0.00 61.98 60.41 3cio s VAL 654 Cb 0.00 -1.00 0.30 0.00 0.56 0.00 0.00 36.38 36.25 3cio s VAL 654 CO 0.00 -0.01 1.76 0.28 -0.31 0.00 0.00 175.10 176.82 3cio h SER 655 N 2.60 0.00 -0.60 4.85 0.02 -1.87 -3.38 113.55 115.17 3cio h SER 655 Ca -0.30 0.00 0.17 0.00 -0.84 0.00 0.00 61.79 60.82 3cio h SER 655 Cb 1.21 0.00 -0.11 0.00 0.14 0.00 0.00 62.40 63.64 3cio h SER 655 CO 0.39 0.00 0.01 0.47 -1.14 0.00 0.00 176.83 176.56 3cio n ASP 656 N -2.54 -0.07 0.28 3.07 9.92 -1.26 0.17 116.55 126.12 3cio n ASP 656 Ca 0.03 1.03 0.15 0.00 -0.53 0.00 0.00 54.79 55.47 3cio n ASP 656 Cb 0.37 -0.37 0.82 0.00 -0.64 0.00 0.00 41.12 41.29 3cio n ASP 656 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3cio h ALA 657 N 1.21 1.21 0.15 2.24 0.00 -1.81 -2.26 119.26 120.00 3cio h ALA 657 Ca 0.37 -0.07 -0.29 0.00 0.00 0.00 0.00 54.91 54.92 3cio h ALA 657 Cb 0.75 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.54 3cio h ALA 657 CO -0.57 0.09 -1.30 0.00 0.00 0.00 0.00 179.25 177.47 3cio h ALA 658 N 1.93 0.07 0.00 0.00 0.00 0.15 0.33 119.26 121.74 3cio h ALA 658 Ca -0.00 -0.90 -0.13 0.00 0.00 0.00 0.00 54.91 53.88 3cio h ALA 658 Cb 0.28 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3cio h ALA 658 CO 0.01 0.95 -0.61 -0.39 0.00 0.00 0.00 179.25 179.21 3cio h VAL 659 N 0.08 1.39 0.00 0.00 -1.51 -1.29 -3.24 116.25 111.68 3cio h VAL 659 Ca -0.16 -2.12 -0.28 0.00 -1.23 0.00 0.00 66.70 62.91 3cio h VAL 659 Cb 2.01 2.16 -0.05 0.00 -2.13 0.00 0.00 31.29 33.27 3cio h VAL 659 CO 0.21 0.60 -2.01 1.33 -1.23 0.00 0.00 177.57 176.47 3cio n VAL 660 N -3.75 1.27 0.26 7.19 0.24 -0.89 -4.08 118.33 118.57 3cio n VAL 660 Ca -0.01 -0.78 0.03 0.00 -2.04 0.00 0.00 64.34 61.54 3cio n VAL 660 Cb 0.62 -0.61 0.15 0.00 -1.47 0.00 0.00 33.84 32.53 3cio n VAL 660 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3cio n GLY 661 N 1.59 -0.68 0.70 7.63 0.00 0.12 -2.25 105.19 112.31 3cio n GLY 661 Ca -0.22 -0.03 0.08 0.00 0.00 0.00 0.00 46.02 45.85 3cio n GLY 661 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cio n ARG 662 N -1.45 1.89 -0.20 1.61 1.74 -1.23 -3.58 116.66 115.45 3cio n ARG 662 Ca 0.02 -1.37 0.03 0.00 -0.77 0.00 0.00 57.85 55.76 3cio n ARG 662 Cb 0.07 -1.34 0.04 0.00 -1.02 0.00 0.00 32.46 30.22 3cio n ARG 662 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3cio n SER 663 N 0.60 0.99 -4.41 0.55 7.64 -0.95 -4.96 113.62 113.07 3cio n SER 663 Ca 0.14 -2.12 -0.30 0.00 1.01 0.00 0.00 58.87 57.60 3cio n SER 663 Cb 0.34 -0.19 -0.13 0.00 -1.01 0.00 0.00 64.21 63.21 3cio n SER 663 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3cio s VAL 664 N -0.99 2.52 -0.04 0.44 1.01 -1.24 -4.94 120.40 117.18 3cio s VAL 664 Ca 0.09 -1.30 -0.18 0.00 0.00 0.00 0.00 61.98 60.58 3cio s VAL 664 Cb 0.08 -2.04 -0.12 0.00 0.00 0.00 0.00 36.38 34.30 3cio s VAL 664 CO 0.01 0.33 0.78 1.23 0.00 0.00 0.00 175.10 177.44 3cio h GLY 665 N 4.57 -0.43 -2.18 4.51 0.00 -1.72 -3.43 103.07 104.38 3cio h GLY 665 Ca -0.48 0.16 -0.52 0.00 0.00 0.00 0.00 47.33 46.50 3cio h GLY 665 CO 0.46 -0.16 -0.44 -1.59 0.00 0.00 0.00 176.54 174.81 3cio s THR 666 N -3.49 2.75 -0.27 4.70 2.01 -1.08 -4.77 115.64 115.50 3cio s THR 666 Ca -0.10 -1.49 -0.12 0.00 0.31 0.00 0.00 61.69 60.29 3cio s THR 666 Cb 0.01 -3.02 0.10 0.00 0.01 0.00 0.00 72.50 69.60 3cio s THR 666 CO 0.36 -0.05 0.62 -0.44 -0.69 0.00 0.00 174.62 174.41 3cio s SER 667 N -4.01 -0.91 -0.10 3.53 0.01 -1.23 -2.38 113.70 108.61 3cio s SER 667 Ca 0.44 1.42 0.03 0.00 1.31 0.00 0.00 55.95 59.15 3cio s SER 667 Cb -0.02 1.68 0.01 0.00 0.21 0.00 0.00 66.02 67.89 3cio s SER 667 CO 0.26 -0.23 -0.20 -0.76 0.41 0.00 0.00 173.24 172.71 3cio s LEU 668 N 2.20 1.96 -0.15 2.44 1.43 -0.64 -1.11 118.68 124.81 3cio s LEU 668 Ca -0.08 -0.50 -0.11 0.00 -1.03 0.00 0.00 54.13 52.42 3cio s LEU 668 Cb -0.09 -1.26 -0.05 0.00 0.03 0.00 0.00 46.19 44.83 3cio s LEU 668 CO -0.18 0.11 0.20 -0.22 0.23 0.00 0.00 176.35 176.49 3cio s LEU 669 N 0.53 4.29 -0.21 1.79 0.20 -1.17 -1.84 118.68 122.27 3cio s LEU 669 Ca -0.15 0.43 -0.05 0.00 0.69 0.00 0.00 54.13 55.05 3cio s LEU 669 Cb -0.17 -2.21 -0.02 0.00 -0.43 0.00 0.00 46.19 43.36 3cio s LEU 669 CO 0.05 0.23 -0.00 0.54 -0.29 0.00 0.00 176.35 176.88 3cio s VAL 670 N -0.08 3.85 -0.06 1.68 0.11 0.25 -0.55 120.40 125.60 3cio s VAL 670 Ca 0.14 -0.34 0.02 0.00 -2.93 0.00 0.00 61.98 58.86 3cio s VAL 670 Cb -0.12 -2.75 -0.03 0.00 -1.53 0.00 0.00 36.38 31.95 3cio s VAL 670 CO 0.02 0.42 -0.09 0.00 -3.33 0.00 0.00 175.10 172.12 3cio s ALA 671 N 1.18 2.88 -0.02 1.54 0.00 -0.09 -3.16 121.76 124.09 3cio s ALA 671 Ca 0.03 -0.93 -0.17 0.00 0.00 0.00 0.00 51.96 50.89 3cio s ALA 671 Cb -0.14 -1.14 -0.05 0.00 0.00 0.00 0.00 23.12 21.78 3cio s ALA 671 CO 0.01 0.57 0.48 0.50 0.00 0.00 0.00 175.76 177.32 3cio s ARG 672 N -0.83 4.13 -0.16 0.00 3.52 -1.26 -1.04 118.95 123.31 3cio s ARG 672 Ca 0.12 0.52 -0.32 0.00 -0.13 0.00 0.00 55.73 55.92 3cio s ARG 672 Cb -0.11 -3.30 -0.10 0.00 -1.56 0.00 0.00 34.95 29.89 3cio s ARG 672 CO 0.02 0.50 2.05 0.34 -0.81 0.00 0.00 175.30 177.39 3cio n PHE 673 N 2.39 2.12 0.00 5.12 -0.00 0.23 -2.21 117.46 125.11 3cio n PHE 673 Ca -0.11 -0.03 0.00 0.00 -0.00 0.00 0.00 57.45 57.31 3cio n PHE 673 Cb 0.52 -2.67 0.00 0.00 -0.00 0.00 0.00 39.48 37.32 3cio n PHE 673 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3cio n GLY 674 N 5.20 2.43 0.15 7.13 0.00 -1.26 -4.77 105.19 114.08 3cio n GLY 674 Ca 0.28 -0.59 -0.18 0.00 0.00 0.00 0.00 46.02 45.53 3cio n GLY 674 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3cio h LEU 675 N 0.00 0.60 -9.53 0.99 6.46 -1.75 -3.39 115.31 108.70 3cio h LEU 675 Ca 0.00 -0.74 -0.59 0.00 -0.12 0.00 0.00 57.88 56.43 3cio h LEU 675 Cb 0.00 -0.18 -0.06 0.00 -0.73 0.00 0.00 40.66 39.68 3cio h LEU 675 CO 0.00 1.26 -0.16 0.20 -0.62 0.00 0.00 178.44 179.12 3cio s ASN 676 N -6.82 6.78 -0.05 1.25 -0.87 -0.94 -4.78 114.94 109.50 3cio s ASN 676 Ca -0.13 0.93 -0.21 0.00 -1.57 0.00 0.00 52.86 51.88 3cio s ASN 676 Cb 0.04 -2.28 -0.04 0.00 -0.02 0.00 0.00 41.25 38.95 3cio s ASN 676 CO 0.84 0.18 0.62 0.42 -2.57 0.00 0.00 177.10 176.59 3cio s THR 677 N -0.35 5.02 0.32 1.60 -4.23 -1.26 0.67 115.64 117.41 3cio s THR 677 Ca 0.25 1.28 0.11 0.00 -1.18 0.00 0.00 61.69 62.15 3cio s THR 677 Cb -0.16 -3.96 0.11 0.00 1.34 0.00 0.00 72.50 69.82 3cio s THR 677 CO 0.12 0.33 1.23 0.00 -0.54 0.00 0.00 174.62 175.76 3cio h ALA 678 N 6.34 1.43 0.33 3.99 0.00 -1.90 -2.19 119.26 127.24 3cio h ALA 678 Ca -0.42 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 3cio h ALA 678 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3cio h ALA 678 CO 0.73 -0.43 -0.16 -0.22 0.00 0.00 0.00 179.25 179.18 3cio h LYS 679 N 0.00 -0.42 -0.60 0.00 3.64 -1.96 -3.24 116.57 114.00 3cio h LYS 679 Ca 0.00 0.03 0.17 0.00 -1.27 0.00 0.00 60.65 59.58 3cio h LYS 679 Cb 1.07 0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.96 3cio h LYS 679 CO 0.00 -0.28 0.53 1.05 -2.27 0.00 0.00 179.45 178.48 3cio h GLU 680 N -0.62 0.00 0.00 1.90 4.11 -1.80 0.46 114.58 118.63 3cio h GLU 680 Ca -0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.39 3cio h GLU 680 Cb 0.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 3cio h GLU 680 CO 0.07 0.00 0.00 -0.39 0.07 0.00 0.00 179.01 178.76 3cio h VAL 681 N 0.00 0.00 0.06 -1.06 -1.51 -1.59 0.40 116.25 112.54 3cio h VAL 681 Ca 0.28 -0.44 -0.37 0.00 -1.23 0.00 0.00 66.70 64.94 3cio h VAL 681 Cb 1.34 1.34 -0.04 0.00 -2.13 0.00 0.00 31.29 31.80 3cio h VAL 681 CO -0.00 0.00 -2.18 -1.20 -1.23 0.00 0.00 177.57 172.95 3cio n SER 682 N -2.68 1.82 0.21 4.19 7.64 0.15 -3.15 113.62 121.80 3cio n SER 682 Ca 0.02 0.08 0.05 0.00 1.01 0.00 0.00 58.87 60.02 3cio n SER 682 Cb 0.31 -0.50 0.47 0.00 -1.01 0.00 0.00 64.21 63.48 3cio n SER 682 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 3cio h LEU 683 N 0.03 0.01 0.10 -3.43 3.38 -0.73 0.35 115.31 115.02 3cio h LEU 683 Ca -0.48 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.48 3cio h LEU 683 Cb 2.00 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.75 3cio h LEU 683 CO 0.02 0.23 -0.05 0.28 0.09 0.00 0.00 178.44 179.01 3cio h SER 684 N 0.01 -0.11 -0.97 -0.43 0.02 -0.36 -2.81 113.55 108.90 3cio h SER 684 Ca 0.00 -0.47 0.05 0.00 -0.84 0.00 0.00 61.79 60.53 3cio h SER 684 Cb 0.40 0.03 -0.06 0.00 0.14 0.00 0.00 62.40 62.90 3cio h SER 684 CO 0.03 0.53 0.63 0.24 -1.14 0.00 0.00 176.83 177.12 3cio h MET 685 N -0.87 1.15 -0.09 3.45 2.86 -1.46 -1.96 114.93 118.00 3cio h MET 685 Ca -0.01 -0.07 0.03 0.00 -2.06 0.00 0.00 59.70 57.59 3cio h MET 685 Cb 0.57 -0.26 -0.03 0.00 0.06 0.00 0.00 31.60 31.94 3cio h MET 685 CO 0.02 0.76 -0.08 0.37 1.06 0.00 0.00 176.91 179.04 3cio h GLN 686 N 1.18 -0.10 -0.09 1.72 4.15 -0.36 -1.03 115.11 120.59 3cio h GLN 686 Ca 0.40 0.01 -0.04 0.00 0.77 0.00 0.00 58.65 59.79 3cio h GLN 686 Cb 0.08 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.79 3cio h GLN 686 CO -0.15 -0.06 -0.13 0.00 -1.93 0.00 0.00 178.83 176.56 3cio h ARG 687 N -0.10 0.13 0.00 1.69 2.47 -1.17 -0.13 114.38 117.27 3cio h ARG 687 Ca 0.06 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.76 3cio h ARG 687 Cb 0.19 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.49 3cio h ARG 687 CO -0.15 0.27 0.00 -0.07 0.56 0.00 0.00 179.97 180.58 3cio h LEU 688 N 0.13 0.00 0.19 3.04 3.38 -0.87 -2.98 115.31 118.19 3cio h LEU 688 Ca 0.03 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.68 3cio h LEU 688 Cb 0.31 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.09 3cio h LEU 688 CO 0.02 0.00 -1.37 -0.33 0.09 0.00 0.00 178.44 176.85 3cio h GLU 689 N 0.00 0.53 -0.83 1.13 4.39 0.25 -2.98 114.58 117.07 3cio h GLU 689 Ca 0.00 -0.83 0.18 0.00 0.34 0.00 0.00 59.36 59.05 3cio h GLU 689 Cb 0.78 0.30 -0.06 0.00 -0.10 0.00 0.00 28.75 29.67 3cio h GLU 689 CO 0.00 1.39 0.55 1.96 -1.16 0.00 0.00 179.01 181.75 3cio h GLN 690 N 0.18 0.37 -6.41 2.33 7.50 -1.09 -3.39 115.11 114.60 3cio h GLN 690 Ca -0.22 -0.02 -0.52 0.00 0.50 0.00 0.00 58.65 58.39 3cio h GLN 690 Cb 2.06 -0.08 -0.01 0.00 0.05 0.00 0.00 27.48 29.49 3cio h GLN 690 CO 0.25 0.24 -0.20 0.00 -1.50 0.00 0.00 178.83 177.63 3cio s ALA 691 N -5.39 3.69 -1.37 3.87 0.00 -1.16 -4.95 121.76 116.44 3cio s ALA 691 Ca -0.08 -0.65 0.00 0.00 0.00 0.00 0.00 51.96 51.23 3cio s ALA 691 Cb 0.22 -2.20 0.00 0.00 0.00 0.00 0.00 23.12 21.13 3cio s ALA 691 CO 0.77 0.29 0.43 0.41 0.00 0.00 0.00 175.76 177.66 3cio n GLY 692 N -0.89 -0.04 3.68 0.00 0.00 -1.26 -4.76 105.19 101.92 3cio n GLY 692 Ca -0.03 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.54 3cio n GLY 692 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3cio n VAL 693 N -0.93 0.06 -2.66 1.61 0.31 -1.14 -4.83 118.33 110.75 3cio n VAL 693 Ca 0.00 -0.01 -0.43 0.00 -0.01 0.00 0.00 64.34 63.89 3cio n VAL 693 Cb 0.02 -1.70 0.00 0.00 -0.91 0.00 0.00 33.84 31.25 3cio n VAL 693 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 3cio n ASN 694 N 3.87 5.39 -4.63 4.52 4.05 -1.26 -4.41 115.26 122.79 3cio n ASN 694 Ca 0.17 -3.13 -0.43 0.00 0.45 0.00 0.00 54.58 51.64 3cio n ASN 694 Cb 0.31 -1.45 -0.03 0.00 1.23 0.00 0.00 39.78 39.84 3cio n ASN 694 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 3cio s ILE 695 N -0.05 3.61 0.00 -1.44 -1.09 -1.26 -3.57 121.20 117.41 3cio s ILE 695 Ca 0.38 0.70 0.00 0.00 -2.23 0.00 0.00 60.65 59.50 3cio s ILE 695 Cb 0.05 -3.60 0.00 0.00 -1.58 0.00 0.00 42.46 37.33 3cio s ILE 695 CO 0.02 -0.23 0.00 0.29 -1.23 0.00 0.00 174.94 173.79 3cio n LYS 696 N 7.63 0.00 0.00 2.79 4.01 -0.26 -4.95 118.16 127.38 3cio n LYS 696 Ca 0.19 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.99 3cio n LYS 696 Cb 0.45 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.97 3cio n LYS 696 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3cio n GLY 697 N 5.00 1.72 3.19 0.72 0.00 -1.26 -4.83 105.19 109.74 3cio n GLY 697 Ca 0.00 -1.77 -0.09 0.00 0.00 0.00 0.00 46.02 44.16 3cio n GLY 697 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cio s ALA 698 N -3.18 0.49 -0.05 4.61 0.00 0.17 -3.02 121.76 120.78 3cio s ALA 698 Ca 0.00 -1.21 0.05 0.00 0.00 0.00 0.00 51.96 50.80 3cio s ALA 698 Cb 0.00 0.72 -0.00 0.00 0.00 0.00 0.00 23.12 23.84 3cio s ALA 698 CO 0.00 -0.51 -0.19 0.42 0.00 0.00 0.00 175.76 175.49 3cio s ILE 699 N -3.99 1.58 -0.52 0.00 1.01 0.28 -0.50 121.20 119.07 3cio s ILE 699 Ca 0.18 -0.80 -0.16 0.00 0.00 0.00 0.00 60.65 59.87 3cio s ILE 699 Cb 0.06 -1.36 0.12 0.00 0.01 0.00 0.00 42.46 41.29 3cio s ILE 699 CO -0.02 0.45 0.47 -0.22 0.00 0.00 0.00 174.94 175.62 3cio s LEU 700 N 0.04 6.05 -0.08 2.97 2.96 -0.37 -0.92 118.68 129.34 3cio s LEU 700 Ca -0.05 -1.70 -0.04 0.00 -0.22 0.00 0.00 54.13 52.12 3cio s LEU 700 Cb -0.13 -2.20 -0.04 0.00 0.50 0.00 0.00 46.19 44.33 3cio s LEU 700 CO 0.03 -0.81 0.10 0.21 -1.32 0.00 0.00 176.35 174.56 3cio s ASN 701 N 3.36 5.95 0.00 3.68 2.47 -0.21 -0.50 114.94 129.69 3cio s ASN 701 Ca 0.03 0.31 0.00 0.00 0.42 0.00 0.00 52.86 53.62 3cio s ASN 701 Cb -0.29 -1.82 0.00 0.00 -1.45 0.00 0.00 41.25 37.69 3cio s ASN 701 CO 0.04 0.36 0.00 0.61 -3.72 0.00 0.00 177.10 174.39 3cio n GLY 702 N 1.76 3.21 0.00 1.21 0.00 -0.34 0.76 105.19 111.79 3cio n GLY 702 Ca -0.17 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 44.87 3cio n GLY 702 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3cio n VAL 703 N 0.00 0.00 -4.23 1.61 0.31 -1.16 -2.67 118.33 112.19 3cio n VAL 703 Ca 0.00 0.00 -0.24 0.00 -0.01 0.00 0.00 64.34 64.09 3cio n VAL 703 Cb 0.00 0.00 -0.17 0.00 -0.91 0.00 0.00 33.84 32.76 3cio n VAL 703 CO 0.00 0.00 0.00 -0.51 -1.32 0.00 0.00 176.83 175.00 3cio s ILE 704 N 0.00 0.95 0.22 2.52 1.10 -1.26 -2.97 121.20 121.77 3cio s ILE 704 Ca 0.00 -0.32 -0.04 0.00 -0.51 0.00 0.00 60.65 59.78 3cio s ILE 704 Cb 0.00 -0.93 -0.03 0.00 0.15 0.00 0.00 42.46 41.65 3cio s ILE 704 CO 0.00 0.33 0.24 -0.75 -2.11 0.00 0.00 174.94 172.65 3cio s LYS 705 N 1.14 1.34 0.00 3.50 2.20 -1.26 -5.05 119.74 121.61 3cio s LYS 705 Ca -0.06 -1.55 0.00 0.00 -0.36 0.00 0.00 55.97 54.00 3cio s LYS 705 Cb -0.14 0.33 0.00 0.00 -1.51 0.00 0.00 37.83 36.51 3cio s LYS 705 CO -0.02 -0.48 0.00 -2.13 -0.36 0.00 0.00 175.35 172.36 3cio n ARG 706 N -0.32 0.00 0.00 4.03 0.63 -1.26 -5.06 116.66 114.67 3cio n ARG 706 Ca 0.01 0.22 0.00 0.00 -0.92 0.00 0.00 57.85 57.17 3cio n ARG 706 Cb 0.65 -0.61 0.00 0.00 0.45 0.00 0.00 32.46 32.95 3cio n ARG 706 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3cio n ALA 707 N -0.16 0.70 -3.80 5.13 0.00 -1.26 -5.06 120.51 116.06 3cio n ALA 707 Ca 0.00 -0.08 -0.27 0.00 0.00 0.00 0.00 53.44 53.09 3cio n ALA 707 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.47 3cio n ALA 707 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3cio n SER 708 N -0.15 -2.54 0.00 0.00 3.41 -1.26 -4.91 113.62 108.17 3cio n SER 708 Ca 0.00 -0.98 0.00 0.00 -0.26 0.00 0.00 58.87 57.63 3cio n SER 708 Cb 0.09 -3.36 0.00 0.00 -0.26 0.00 0.00 64.21 60.68 3cio n SER 708 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3cio n THR 709 N -4.29 0.00 0.00 6.66 -2.24 -1.26 -5.15 114.28 108.00 3cio n THR 709 Ca -0.22 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 3cio n THR 709 Cb 0.65 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.88 3cio n THR 709 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3cio n ALA 710 N -3.00 0.00 -3.64 6.98 0.00 -1.26 -5.18 120.51 114.41 3cio n ALA 710 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 3cio n ALA 710 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 3cio n ALA 710 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 3cio s TYR 711 N 0.00 -0.05 0.00 0.00 5.04 -1.26 -5.19 117.35 115.89 3cio s TYR 711 Ca 0.00 0.07 0.00 0.00 -2.44 0.00 0.00 57.07 54.70 3cio s TYR 711 Cb 0.00 0.50 0.00 0.00 0.35 0.00 0.00 41.96 42.81 3cio s TYR 711 CO 0.00 -0.05 0.00 0.43 -1.34 0.00 0.00 175.55 174.59 3cio n SER 712 N 0.41 0.00 -3.85 4.32 7.64 -1.26 -5.15 113.62 115.73 3cio n SER 712 Ca 0.01 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.77 3cio n SER 712 Cb 0.58 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.67 3cio n SER 712 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 3cio s TYR 713 N -2.73 -0.05 0.00 1.43 1.13 -1.26 -5.11 117.35 110.75 3cio s TYR 713 Ca 0.00 0.13 0.00 0.00 -1.41 0.00 0.00 57.07 55.79 3cio s TYR 713 Cb 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 41.96 40.86 3cio s TYR 713 CO 0.00 -0.13 0.00 0.41 -2.51 0.00 0.00 175.55 173.32 3cio n GLY 714 N 2.48 0.19 3.76 5.49 0.00 -1.26 -4.26 105.19 111.59 3cio n GLY 714 Ca -0.16 0.65 -0.35 0.00 0.00 0.00 0.00 46.02 46.16 3cio n GLY 714 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3cio s TYR 715 N 0.00 2.52 -0.27 1.61 -0.85 -1.26 -4.20 117.35 114.90 3cio s TYR 715 Ca 0.00 1.54 -0.08 0.00 -0.52 0.00 0.00 57.07 58.01 3cio s TYR 715 Cb 0.00 -3.35 -0.02 0.00 0.38 0.00 0.00 41.96 38.97 3cio s TYR 715 CO 0.00 -1.89 0.11 0.54 -1.52 0.00 0.00 175.55 172.79 3cio s ASN 716 N -1.85 5.35 0.00 -0.18 4.22 -1.26 -4.58 114.94 116.63 3cio s ASN 716 Ca 0.74 -0.28 0.17 0.00 -2.14 0.00 0.00 52.86 51.34 3cio s ASN 716 Cb -0.26 -1.97 0.13 0.00 1.28 0.00 0.00 41.25 40.44 3cio s ASN 716 CO 0.32 -0.08 1.02 0.00 -2.04 0.00 0.00 177.10 176.33