#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cio s VAL 453 N 0.00 -0.41 -0.09 1.61 0.11 -0.72 -4.60 120.40 116.29 3cio s VAL 453 Ca 0.00 0.11 -0.04 0.00 -2.93 0.00 0.00 61.98 59.12 3cio s VAL 453 Cb 0.00 -0.71 0.05 0.00 -1.53 0.00 0.00 36.38 34.19 3cio s VAL 453 CO 0.00 0.05 0.21 -0.70 -3.33 0.00 0.00 175.10 171.33 3cio s GLU 454 N 2.14 0.15 0.00 1.54 2.12 -1.26 -1.71 118.70 121.68 3cio s GLU 454 Ca -0.05 0.49 0.00 0.00 0.36 0.00 0.00 54.97 55.77 3cio s GLU 454 Cb -0.10 -0.14 0.00 0.00 0.26 0.00 0.00 34.13 34.14 3cio s GLU 454 CO -0.14 -0.18 0.00 0.00 -0.54 0.00 0.00 175.26 174.40 3cio n ALA 455 N 4.36 0.00 0.06 6.30 0.00 -1.26 -4.37 120.51 125.60 3cio n ALA 455 Ca -0.23 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.39 3cio n ALA 455 Cb 0.52 0.00 0.70 0.00 0.00 0.00 0.00 19.45 20.67 3cio n ALA 455 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3cio h PRO 456 N 0.00 0.00 -0.78 0.00 0.11 -2.00 -3.45 132.00 125.89 3cio h PRO 456 Ca 0.00 0.00 0.18 0.00 0.11 0.00 0.00 66.00 66.29 3cio h PRO 456 Cb 0.00 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 30.99 3cio h PRO 456 CO 0.00 0.00 0.18 0.93 -0.21 0.00 0.00 178.00 178.90 3cio h GLU 457 N 0.00 0.24 0.00 1.05 3.07 -1.99 0.79 114.58 117.74 3cio h GLU 457 Ca 0.19 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.04 3cio h GLU 457 Cb 0.81 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.66 3cio h GLU 457 CO -0.00 0.16 0.00 0.94 -1.40 0.00 0.00 179.01 178.71 3cio n GLN 458 N -5.18 0.15 -0.10 2.33 7.27 -1.26 -1.64 117.38 118.95 3cio n GLN 458 Ca 0.16 0.56 -0.21 0.00 0.07 0.00 0.00 57.00 57.58 3cio n GLN 458 Cb 0.51 -1.90 -0.12 0.00 2.41 0.00 0.00 30.24 31.14 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 -2.21 2.67 -0.11 1.69 7.99 0.25 -4.22 117.00 123.06 3cio n LEU 459 Ca -0.00 0.05 0.14 0.00 -0.01 0.00 0.00 56.01 56.19 3cio n LEU 459 Cb 0.10 -0.94 0.52 0.00 -0.11 0.00 0.00 43.42 42.98 3cio n LEU 459 CO 0.12 0.82 1.20 -0.33 -1.51 0.00 0.00 177.39 177.69 3cio h GLU 460 N -0.22 0.37 -0.03 3.23 4.39 -0.33 -2.35 114.58 119.65 3cio h GLU 460 Ca -0.56 -0.02 0.03 0.00 0.34 0.00 0.00 59.36 59.15 3cio h GLU 460 Cb 1.84 -0.08 -0.06 0.00 -0.10 0.00 0.00 28.75 30.35 3cio h GLU 460 CO -0.12 0.24 -0.49 1.49 -1.16 0.00 0.00 179.01 178.98 3cio h GLU 461 N 0.38 -0.60 -0.41 2.33 4.22 -1.48 0.12 114.58 119.15 3cio h GLU 461 Ca 0.31 0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.79 3cio h GLU 461 Cb 0.71 0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.09 3cio h GLU 461 CO -0.09 -0.40 0.00 0.72 -2.18 0.00 0.00 179.01 177.07 3cio n HIS 462 N -5.46 0.00 0.00 0.92 8.25 -0.92 -4.78 115.22 113.23 3cio n HIS 462 Ca -0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.40 3cio n HIS 462 Cb 0.39 -0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.46 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 0.17 2.83 3.65 -1.41 0.00 0.42 -4.98 105.19 105.87 3cio n GLY 463 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.50 3.19 -0.25 -0.61 1.01 -0.99 -4.92 121.20 116.13 3cio s ILE 464 Ca 0.00 0.23 -0.28 0.00 0.00 0.00 0.00 60.65 60.60 3cio s ILE 464 Cb 0.00 -3.16 0.01 0.00 0.01 0.00 0.00 42.46 39.32 3cio s ILE 464 CO 0.00 -0.04 1.02 -0.55 0.00 0.00 0.00 174.94 175.37 3cio s SER 465 N 4.67 7.03 -0.39 3.58 0.15 -1.26 -3.28 113.70 124.19 3cio s SER 465 Ca 0.85 1.26 -0.15 0.00 0.70 0.00 0.00 55.95 58.61 3cio s SER 465 Cb -0.38 -2.53 0.01 0.00 -1.71 0.00 0.00 66.02 61.42 3cio s SER 465 CO 0.37 -0.69 0.33 0.54 1.20 0.00 0.00 173.24 174.99 3cio s VAL 466 N 3.24 5.21 -0.26 4.45 0.11 -1.26 0.04 120.40 131.93 3cio s VAL 466 Ca 0.43 -0.44 0.27 0.00 -2.93 0.00 0.00 61.98 59.31 3cio s VAL 466 Cb -0.14 -3.91 0.35 0.00 -1.53 0.00 0.00 36.38 31.15 3cio s VAL 466 CO 0.08 -0.27 1.77 1.88 -3.33 0.00 0.00 175.10 175.24 3cio h TYR 467 N 8.61 0.00 -2.21 1.54 0.05 -1.60 -3.47 116.97 119.90 3cio h TYR 467 Ca -0.28 0.00 0.12 0.00 0.05 0.00 0.00 58.73 58.62 3cio h TYR 467 Cb 1.13 0.00 -0.16 0.00 1.01 0.00 0.00 36.73 38.71 3cio h TYR 467 CO 0.60 0.00 0.52 0.00 -1.05 0.00 0.00 178.16 178.23 3cio s ALA 468 N -3.38 -1.85 -0.25 3.88 0.00 -1.25 -4.57 121.76 114.35 3cio s ALA 468 Ca 0.05 1.07 -0.02 0.00 0.00 0.00 0.00 51.96 53.06 3cio s ALA 468 Cb 0.07 0.36 0.08 0.00 0.00 0.00 0.00 23.12 23.63 3cio s ALA 468 CO 0.60 -0.68 0.05 0.99 0.00 0.00 0.00 175.76 176.72 3cio s THR 469 N -3.04 0.79 -0.35 0.00 2.01 -1.26 -1.51 115.64 112.29 3cio s THR 469 Ca 0.05 -1.00 -0.14 0.00 0.31 0.00 0.00 61.69 60.92 3cio s THR 469 Cb -0.01 -1.40 -0.01 0.00 0.01 0.00 0.00 72.50 71.09 3cio s THR 469 CO -0.09 -0.40 0.28 -0.63 -0.69 0.00 0.00 174.62 173.10 3cio s ILE 470 N 1.70 5.25 0.73 1.82 -1.09 0.19 -4.87 121.20 124.93 3cio s ILE 470 Ca 0.03 -0.17 -0.11 0.00 -2.23 0.00 0.00 60.65 58.16 3cio s ILE 470 Cb -0.17 -3.76 0.03 0.00 -1.58 0.00 0.00 42.46 36.97 3cio s ILE 470 CO -0.15 -0.06 1.08 -2.16 -1.23 0.00 0.00 174.94 172.42 3cio s PRO 471 N 1.81 2.57 0.51 2.79 0.04 -1.26 -1.17 135.00 140.30 3cio s PRO 471 Ca 0.08 1.14 -0.20 0.00 0.04 0.00 0.00 61.00 62.06 3cio s PRO 471 Cb -0.17 -1.94 -0.07 0.00 0.04 0.00 0.00 34.50 32.36 3cio s PRO 471 CO 0.11 -1.40 1.06 1.41 0.04 0.00 0.00 177.00 178.22 3cio s MET 472 N -4.79 3.66 -0.42 4.56 -2.45 0.14 -4.48 119.30 115.53 3cio s MET 472 Ca 0.61 1.39 -0.08 0.00 -1.25 0.00 0.00 55.69 56.36 3cio s MET 472 Cb -0.17 -2.07 0.09 0.00 1.25 0.00 0.00 34.83 33.93 3cio s MET 472 CO 0.53 -0.55 0.25 0.45 1.05 0.00 0.00 175.02 176.75 3cio s SER 473 N -2.03 5.57 0.48 1.11 0.15 -1.26 -4.82 113.70 112.90 3cio s SER 473 Ca 0.68 -1.62 0.19 0.00 0.70 0.00 0.00 55.95 55.90 3cio s SER 473 Cb -0.18 -1.96 1.20 0.00 -1.71 0.00 0.00 66.02 63.37 3cio s SER 473 CO 0.23 -0.55 2.04 -0.33 1.20 0.00 0.00 173.24 175.83 3cio h GLU 474 N 8.35 0.00 0.00 5.44 4.39 -1.99 -1.30 114.58 129.47 3cio h GLU 474 Ca -0.21 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.46 3cio h GLU 474 Cb 1.08 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.72 3cio h GLU 474 CO 0.76 0.15 -0.12 2.35 -1.16 0.00 0.00 179.01 180.98 3cio h TRP 475 N 0.00 0.00 0.00 4.33 7.01 -2.01 -2.67 115.95 122.62 3cio h TRP 475 Ca -0.00 0.00 -0.33 0.00 2.11 0.00 0.00 58.89 60.67 3cio h TRP 475 Cb 0.29 0.00 -0.06 0.00 -2.10 0.00 0.00 29.16 27.29 3cio h TRP 475 CO 0.00 0.12 -2.02 1.28 -2.79 0.00 0.00 178.44 175.04 3cio n LEU 476 N -4.32 0.50 -0.22 0.65 4.32 -0.65 -3.06 117.00 114.23 3cio n LEU 476 Ca -0.03 0.23 0.19 0.00 -0.02 0.00 0.00 56.01 56.38 3cio n LEU 476 Cb 0.20 0.31 0.52 0.00 -1.62 0.00 0.00 43.42 42.83 3cio n LEU 476 CO 0.35 0.44 1.22 0.44 -1.22 0.00 0.00 177.39 178.62 3cio h ASP 477 N 0.00 0.38 1.23 -1.43 3.45 -0.93 1.12 116.42 120.24 3cio h ASP 477 Ca -0.41 0.04 0.00 0.00 0.43 0.00 0.00 57.03 57.09 3cio h ASP 477 Cb 2.12 -0.03 0.00 0.00 -0.56 0.00 0.00 39.33 40.86 3cio h ASP 477 CO 0.06 0.16 -0.50 0.11 -1.57 0.00 0.00 179.24 177.49 3cio h LYS 478 N 0.38 0.00 0.00 3.56 1.57 -1.66 -3.47 116.57 116.95 3cio h LYS 478 Ca 0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.23 3cio h LYS 478 Cb 1.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.46 3cio h LYS 478 CO -0.16 0.00 0.00 0.54 -0.57 0.00 0.00 179.45 179.26 3cio n ARG 479 N -2.50 0.00 -0.26 3.15 3.00 0.39 -4.95 116.66 115.48 3cio n ARG 479 Ca 0.03 0.00 0.04 0.00 -0.01 0.00 0.00 57.85 57.90 3cio n ARG 479 Cb 0.49 -0.89 -0.01 0.00 0.00 0.00 0.00 32.46 32.05 3cio n ARG 479 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.63 175.26 3cio n THR 480 N -2.00 0.00 0.00 0.55 5.66 -1.17 -4.90 114.28 112.42 3cio n THR 480 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 3cio n THR 480 Cb 0.00 -0.09 0.00 0.00 -1.55 0.00 0.00 70.33 68.69 3cio n THR 480 CO 0.00 0.00 0.00 -2.11 -3.05 0.00 0.00 175.07 169.91 3cio n ARG 481 N -1.17 0.00 0.00 1.09 1.85 -1.26 -5.09 116.66 112.07 3cio n ARG 481 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 3cio n ARG 481 Cb 0.12 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.53 3cio n ARG 481 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 3cio n LEU 482 N 0.00 0.00 0.00 2.89 4.77 -1.26 -5.29 117.00 118.11 3cio n LEU 482 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3cio n LEU 482 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3cio n LEU 482 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.06 3cio n GLN 492 N 0.58 0.00 0.00 3.23 0.00 -1.26 -5.33 117.38 114.60 3cio n GLN 492 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.00 57.00 3cio n GLN 492 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 3cio n GLN 492 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.06 174.93 3cio n ARG 493 N -0.05 0.00 -3.42 2.61 3.00 -1.26 -5.10 116.66 112.45 3cio n ARG 493 Ca 0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 57.85 57.50 3cio n ARG 493 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 32.46 32.49 3cio n ARG 493 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 3cio n HIS 494 N 0.00 -2.73 -1.87 -0.14 8.25 -1.26 -4.99 115.22 112.48 3cio n HIS 494 Ca 0.00 1.14 0.00 0.00 -0.26 0.00 0.00 57.72 58.60 3cio n HIS 494 Cb 0.00 -2.04 0.00 0.00 1.12 0.00 0.00 29.99 29.07 3cio n HIS 494 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3cio n ARG 495 N -0.15 0.60 0.00 -0.41 3.00 -1.26 -5.12 116.66 113.32 3cio n ARG 495 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.78 3cio n ARG 495 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.11 3cio n ARG 495 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 3cio n THR 496 N -1.40 0.00 -2.71 0.55 -2.24 -1.26 -5.07 114.28 102.16 3cio n THR 496 Ca 0.00 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.71 3cio n THR 496 Cb 0.00 0.00 0.10 0.00 -2.10 0.00 0.00 70.33 68.33 3cio n THR 496 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 3cio n LYS 497 N 0.00 1.00 0.00 -0.78 4.81 -1.26 -5.13 118.16 116.80 3cio n LYS 497 Ca 0.00 -1.74 0.00 0.00 -0.87 0.00 0.00 58.31 55.70 3cio n LYS 497 Cb 0.00 -0.48 0.00 0.00 0.02 0.00 0.00 35.03 34.57 3cio n LYS 497 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 3cio n ASN 498 N -0.11 3.57 -3.61 3.14 5.15 -1.26 -4.84 115.26 117.30 3cio n ASN 498 Ca -0.01 0.00 -0.04 0.00 -0.60 0.00 0.00 54.58 53.93 3cio n ASN 498 Cb 0.77 0.00 -0.00 0.00 -0.53 0.00 0.00 39.78 40.01 3cio n ASN 498 CO 0.00 0.00 0.00 -0.51 1.40 0.00 0.00 177.26 178.15 3cio s ILE 499 N 0.57 0.00 -0.26 -1.44 2.07 -1.26 -5.02 121.20 115.86 3cio s ILE 499 Ca 0.00 -0.73 -0.37 0.00 -1.41 0.00 0.00 60.65 58.13 3cio s ILE 499 Cb 0.00 -2.26 -0.13 0.00 0.13 0.00 0.00 42.46 40.20 3cio s ILE 499 CO 0.00 0.00 1.93 -0.81 -1.91 0.00 0.00 174.94 174.15 3cio n PRO 500 N -0.52 1.35 -3.82 3.50 -0.04 -1.26 -4.93 135.00 129.28 3cio n PRO 500 Ca -0.05 0.46 -0.29 0.00 -0.04 0.00 0.00 63.50 63.58 3cio n PRO 500 Cb 0.60 -2.33 -0.12 0.00 -0.04 0.00 0.00 33.50 31.61 3cio n PRO 500 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 3cio s PHE 501 N 4.92 2.95 0.07 0.54 5.36 -1.26 -5.02 117.98 125.54 3cio s PHE 501 Ca 1.01 -3.05 -0.06 0.00 -0.96 0.00 0.00 56.93 53.88 3cio s PHE 501 Cb -0.93 -2.38 0.07 0.00 -0.34 0.00 0.00 43.02 39.44 3cio s PHE 501 CO 0.57 -0.65 0.48 -0.11 -1.46 0.00 0.00 175.22 174.05 3cio n LEU 502 N 2.53 -0.21 -0.32 6.12 7.94 -1.26 -0.78 117.00 131.03 3cio n LEU 502 Ca 0.16 0.54 0.17 0.00 -1.11 0.00 0.00 56.01 55.78 3cio n LEU 502 Cb 0.36 -0.12 0.35 0.00 0.53 0.00 0.00 43.42 44.54 3cio n LEU 502 CO 0.26 -0.48 0.91 0.00 -1.11 0.00 0.00 177.39 176.97 3cio h ALA 503 N 0.41 1.41 0.00 1.96 0.00 -1.93 -0.93 119.26 120.18 3cio h ALA 503 Ca 0.10 0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.29 3cio h ALA 503 Cb 0.18 0.42 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3cio h ALA 503 CO -0.31 -0.60 -1.52 1.33 0.00 0.00 0.00 179.25 178.15 3cio n VAL 504 N -5.33 0.00 -0.00 0.00 0.24 0.04 -4.10 118.33 109.18 3cio n VAL 504 Ca 0.25 -0.28 -0.00 0.00 -2.04 0.00 0.00 64.34 62.27 3cio n VAL 504 Cb 0.83 0.44 -0.00 0.00 -1.47 0.00 0.00 33.84 33.64 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 0.00 -0.00 -3.39 -1.34 3.45 -0.81 -3.41 116.42 110.92 3cio h ASP 505 Ca 0.00 0.00 -0.71 0.00 0.43 0.00 0.00 57.03 56.75 3cio h ASP 505 Cb 0.75 0.00 -0.35 0.00 -0.56 0.00 0.00 39.33 39.17 3cio h ASP 505 CO 0.00 0.00 -0.06 0.21 -1.57 0.00 0.00 179.24 177.83 3cio s ASN 506 N -2.97 6.09 0.27 6.45 3.04 -0.61 -4.93 114.94 122.29 3cio s ASN 506 Ca -0.00 -3.67 -0.03 0.00 0.04 0.00 0.00 52.86 49.20 3cio s ASN 506 Cb 0.00 -1.93 0.38 0.00 -1.54 0.00 0.00 41.25 38.15 3cio s ASN 506 CO 0.00 -0.20 1.91 -0.65 -3.04 0.00 0.00 177.10 175.12 3cio h PRO 507 N 6.12 1.19 -0.04 0.43 0.11 -1.71 -2.41 132.00 135.68 3cio h PRO 507 Ca 0.15 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 66.19 3cio h PRO 507 Cb 0.82 -0.27 0.00 0.00 0.11 0.00 0.00 31.00 31.67 3cio h PRO 507 CO 0.86 0.78 0.00 0.00 -0.21 0.00 0.00 178.00 179.44 3cio n ALA 508 N -2.38 2.55 -1.74 -0.75 0.00 -1.26 -4.54 120.51 112.38 3cio n ALA 508 Ca 0.13 -0.14 -0.38 0.00 0.00 0.00 0.00 53.44 53.05 3cio n ALA 508 Cb 0.10 -1.14 0.05 0.00 0.00 0.00 0.00 19.45 18.46 3cio n ALA 508 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3cio s ASP 509 N -1.32 5.05 0.49 0.00 -1.08 -0.91 -4.83 116.67 114.08 3cio s ASP 509 Ca 0.17 2.72 0.20 0.00 -0.52 0.00 0.00 52.55 55.12 3cio s ASP 509 Cb 0.08 -2.63 1.22 0.00 -1.46 0.00 0.00 42.92 40.13 3cio s ASP 509 CO 0.13 -1.71 2.05 0.77 0.52 0.00 0.00 175.17 176.93 3cio h SER 510 N 1.16 0.00 0.25 -0.34 4.64 -1.90 -1.80 113.55 115.56 3cio h SER 510 Ca -0.51 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 60.66 3cio h SER 510 Cb 1.31 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.39 3cio h SER 510 CO 0.56 0.14 -0.60 0.00 -0.87 0.00 0.00 176.83 176.06 3cio h ALA 511 N 1.86 0.78 0.02 5.18 0.00 -1.88 -2.29 119.26 122.93 3cio h ALA 511 Ca -0.00 -0.54 -0.23 0.00 0.00 0.00 0.00 54.91 54.14 3cio h ALA 511 Cb 0.28 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3cio h ALA 511 CO 0.02 0.72 -0.98 0.28 0.00 0.00 0.00 179.25 179.28 3cio h VAL 512 N 0.26 1.41 -0.27 0.00 2.07 -1.73 -2.88 116.25 115.11 3cio h VAL 512 Ca -0.00 -2.53 -0.06 0.00 0.82 0.00 0.00 66.70 64.92 3cio h VAL 512 Cb 1.12 2.49 -0.02 0.00 -1.52 0.00 0.00 31.29 33.37 3cio h VAL 512 CO 0.10 0.75 -0.10 -0.33 0.02 0.00 0.00 177.57 178.01 3cio h GLU 513 N 0.21 0.44 -0.56 1.57 4.39 -1.26 -1.29 114.58 118.07 3cio h GLU 513 Ca -0.09 -0.11 -0.05 0.00 0.34 0.00 0.00 59.36 59.45 3cio h GLU 513 Cb 1.63 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 30.20 3cio h GLU 513 CO 0.17 0.55 0.15 0.00 -1.16 0.00 0.00 179.01 178.72 3cio h ALA 514 N 1.49 0.74 -0.72 3.43 0.00 -1.34 -2.34 119.26 120.51 3cio h ALA 514 Ca 0.08 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 3cio h ALA 514 Cb 0.43 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 3cio h ALA 514 CO 0.02 0.43 0.22 0.28 0.00 0.00 0.00 179.25 180.20 3cio h VAL 515 N 0.80 1.26 -0.91 0.00 2.07 -1.20 -1.33 116.25 116.94 3cio h VAL 515 Ca 0.18 -0.89 0.06 0.00 0.82 0.00 0.00 66.70 66.86 3cio h VAL 515 Cb 0.33 0.47 -0.06 0.00 -1.52 0.00 0.00 31.29 30.51 3cio h VAL 515 CO -0.00 0.35 0.59 0.03 0.02 0.00 0.00 177.57 178.56 3cio h ARG 516 N 1.07 1.03 -0.65 1.57 2.47 -0.92 0.22 114.38 119.17 3cio h ARG 516 Ca 0.23 -0.06 -0.07 0.00 -1.26 0.00 0.00 59.98 58.82 3cio h ARG 516 Cb 0.30 -0.23 -0.03 0.00 -1.65 0.00 0.00 29.97 28.36 3cio h ARG 516 CO -0.01 0.68 0.15 0.00 0.56 0.00 0.00 179.97 181.35 3cio h ALA 517 N 1.50 0.86 -0.93 0.04 0.00 -0.81 -1.70 119.26 118.22 3cio h ALA 517 Ca 0.39 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 55.08 3cio h ALA 517 Cb 0.16 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 3cio h ALA 517 CO -0.14 0.59 0.61 1.25 0.00 0.00 0.00 179.25 181.56 3cio h LEU 518 N 0.98 1.02 -0.34 0.00 6.46 0.27 -0.52 115.31 123.19 3cio h LEU 518 Ca 0.20 -0.01 0.03 0.00 -0.12 0.00 0.00 57.88 57.99 3cio h LEU 518 Cb 0.38 -0.24 -0.03 0.00 -0.73 0.00 0.00 40.66 40.04 3cio h LEU 518 CO 0.00 0.71 0.13 -0.09 -0.62 0.00 0.00 178.44 178.57 3cio h ARG 519 N 1.19 0.27 -0.23 1.25 2.43 0.15 0.25 114.38 119.70 3cio h ARG 519 Ca 0.37 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.51 3cio h ARG 519 Cb -0.03 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.45 3cio h ARG 519 CO -0.11 0.18 0.11 1.15 -1.51 0.00 0.00 179.97 179.79 3cio h THR 520 N 0.28 1.14 -0.76 0.20 2.02 -0.50 0.22 112.91 115.51 3cio h THR 520 Ca 0.15 -0.40 -0.03 0.00 0.77 0.00 0.00 66.41 66.90 3cio h THR 520 Cb 0.11 0.98 -0.03 0.00 -1.74 0.00 0.00 68.15 67.47 3cio h THR 520 CO -0.14 0.14 0.35 0.28 0.37 0.00 0.00 175.52 176.52 3cio h SER 521 N 0.24 1.00 -0.22 4.18 0.02 -0.82 -2.09 113.55 115.86 3cio h SER 521 Ca 0.08 -0.14 -0.07 0.00 -0.84 0.00 0.00 61.79 60.82 3cio h SER 521 Cb 0.12 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.38 3cio h SER 521 CO -0.01 0.86 -0.07 0.25 -1.14 0.00 0.00 176.83 176.73 3cio h LEU 522 N 1.07 0.54 -0.70 5.07 7.12 -0.19 -0.57 115.31 127.65 3cio h LEU 522 Ca 0.26 -0.13 -0.02 0.00 0.13 0.00 0.00 57.88 58.12 3cio h LEU 522 Cb 0.13 -0.14 -0.03 0.00 -0.53 0.00 0.00 40.66 40.09 3cio h LEU 522 CO -0.03 0.66 0.34 -0.74 -0.13 0.00 0.00 178.44 178.54 3cio h HIS 523 N 0.53 1.01 -0.03 1.25 2.76 0.09 0.59 115.15 121.35 3cio h HIS 523 Ca 0.10 -0.05 -0.03 0.00 -2.20 0.00 0.00 60.37 58.20 3cio h HIS 523 Cb 0.44 -0.31 0.00 0.00 1.55 0.00 0.00 27.41 29.09 3cio h HIS 523 CO 0.02 0.75 -0.10 0.74 -1.30 0.00 0.00 177.93 178.03 3cio h PHE 524 N 0.98 0.16 0.08 5.26 0.04 -1.15 -3.16 116.94 119.14 3cio h PHE 524 Ca 0.24 -0.07 0.01 0.00 2.80 0.00 0.00 57.97 60.96 3cio h PHE 524 Cb 0.11 -0.03 -0.02 0.00 2.20 0.00 0.00 35.95 38.21 3cio h PHE 524 CO 0.01 0.72 -0.14 0.00 -0.60 0.00 0.00 178.31 178.29 3cio h ALA 525 N 0.41 -0.23 0.00 2.45 0.00 -0.98 -1.87 119.26 119.04 3cio h ALA 525 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3cio h ALA 525 Cb 0.72 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.74 3cio h ALA 525 CO 0.02 -0.66 0.00 -1.33 0.00 0.00 0.00 179.25 177.28 3cio n MET 526 N -5.27 0.97 -2.69 0.00 2.81 0.21 -4.85 117.12 108.29 3cio n MET 526 Ca -0.06 0.00 -0.43 0.00 -1.81 0.00 0.00 57.70 55.40 3cio n MET 526 Cb 0.19 -1.02 -0.02 0.00 -0.71 0.00 0.00 33.22 31.66 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 0.06 4.31 -0.82 0.03 0.00 -0.71 -4.25 119.30 117.93 3cio s MET 527 Ca 0.00 1.34 -0.11 0.00 0.00 0.00 0.00 55.69 56.92 3cio s MET 527 Cb 0.00 -3.61 0.02 0.00 0.00 0.00 0.00 34.83 31.24 3cio s MET 527 CO 0.00 -0.51 0.21 0.39 0.00 0.00 0.00 175.02 175.10 3cio n GLU 528 N 5.85 -0.75 -0.09 4.11 1.02 -1.26 -4.77 120.64 124.75 3cio n GLU 528 Ca 0.10 -0.07 0.04 0.00 -0.02 0.00 0.00 57.16 57.21 3cio n GLU 528 Cb 0.47 -1.57 0.09 0.00 -0.02 0.00 0.00 31.44 30.41 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 -3.28 0.74 0.00 2.62 -2.24 -1.26 -5.03 114.28 105.84 3cio n THR 529 Ca -0.13 -0.87 0.00 0.00 -2.27 0.00 0.00 64.05 60.78 3cio n THR 529 Cb 0.37 0.68 0.00 0.00 -2.10 0.00 0.00 70.33 69.28 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 0.29 0.00 -1.90 -0.78 4.71 -1.26 -4.84 120.64 116.86 3cio n GLU 530 Ca 0.07 0.00 -0.42 0.00 -0.01 0.00 0.00 57.16 56.80 3cio n GLU 530 Cb 0.33 0.00 -0.03 0.00 -1.01 0.00 0.00 31.44 30.73 3cio n GLU 530 CO 0.00 0.00 0.00 1.21 0.09 0.00 0.00 177.13 178.43 3cio s ASN 531 N 0.00 6.60 -0.42 1.62 3.84 -1.26 -4.89 114.94 120.43 3cio s ASN 531 Ca 0.00 2.40 0.05 0.00 0.21 0.00 0.00 52.86 55.52 3cio s ASN 531 Cb 0.00 -2.54 0.64 0.00 -0.55 0.00 0.00 41.25 38.80 3cio s ASN 531 CO 0.00 -0.95 1.83 0.59 -2.79 0.00 0.00 177.10 175.78 3cio n ASN 532 N 6.87 3.53 -4.75 -4.21 5.03 -1.26 -4.69 115.26 115.78 3cio n ASN 532 Ca 0.18 -3.63 -0.35 0.00 0.87 0.00 0.00 54.58 51.64 3cio n ASN 532 Cb 0.42 -0.80 -0.08 0.00 -1.02 0.00 0.00 39.78 38.30 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 -3.28 5.39 -0.16 2.41 -1.09 -1.26 -1.33 121.20 121.88 3cio s ILE 533 Ca 0.55 0.18 0.00 0.00 -2.23 0.00 0.00 60.65 59.15 3cio s ILE 533 Cb 0.46 -3.43 0.03 0.00 -1.58 0.00 0.00 42.46 37.94 3cio s ILE 533 CO 0.09 0.48 -0.12 -0.22 -1.23 0.00 0.00 174.94 173.94 3cio s LEU 534 N 0.08 1.74 -0.26 2.97 2.96 0.18 -2.29 118.68 124.06 3cio s LEU 534 Ca 0.09 -0.56 -0.11 0.00 -0.22 0.00 0.00 54.13 53.33 3cio s LEU 534 Cb -0.11 -1.13 -0.05 0.00 0.50 0.00 0.00 46.19 45.40 3cio s LEU 534 CO -0.01 -0.09 0.19 -0.32 -1.32 0.00 0.00 176.35 174.80 3cio s MET 535 N 1.50 4.02 -0.33 1.98 -2.45 -0.57 -0.81 119.30 122.64 3cio s MET 535 Ca 0.03 -0.26 -0.04 0.00 -1.25 0.00 0.00 55.69 54.17 3cio s MET 535 Cb -0.14 -3.59 0.05 0.00 1.25 0.00 0.00 34.83 32.40 3cio s MET 535 CO -0.10 -0.06 0.07 0.42 1.05 0.00 0.00 175.02 176.41 3cio s ILE 536 N 1.40 3.42 0.41 10.11 1.01 -0.66 -1.03 121.20 135.86 3cio s ILE 536 Ca 0.08 -1.32 0.07 0.00 0.00 0.00 0.00 60.65 59.48 3cio s ILE 536 Cb -0.15 -2.98 -0.07 0.00 0.01 0.00 0.00 42.46 39.27 3cio s ILE 536 CO 0.08 -0.19 0.04 0.28 0.00 0.00 0.00 174.94 175.14 3cio s THR 537 N 1.32 2.02 0.42 2.92 -1.32 -0.69 -2.74 115.64 117.58 3cio s THR 537 Ca -0.02 -1.95 0.06 0.00 -1.21 0.00 0.00 61.69 58.57 3cio s THR 537 Cb -0.20 -2.98 -0.07 0.00 -1.51 0.00 0.00 72.50 67.74 3cio s THR 537 CO 0.01 0.00 0.02 -0.83 -2.21 0.00 0.00 174.62 171.61 3cio s GLY 538 N -3.75 2.56 -0.07 6.08 0.00 -1.26 -0.58 107.32 110.32 3cio s GLY 538 Ca 0.35 -2.05 -0.24 0.00 0.00 0.00 0.00 44.72 42.78 3cio s GLY 538 CO 0.18 -2.10 0.91 0.00 0.00 0.00 0.00 173.10 172.10 3cio h ALA 539 N 1.69 -0.03 -2.64 3.20 0.00 -1.93 -0.90 119.26 118.65 3cio h ALA 539 Ca -0.44 -0.59 -0.34 0.00 0.00 0.00 0.00 54.91 53.55 3cio h ALA 539 Cb 1.25 0.05 -0.14 0.00 0.00 0.00 0.00 17.79 18.95 3cio h ALA 539 CO 0.79 0.22 -0.57 0.95 0.00 0.00 0.00 179.25 180.64 3cio s THR 540 N -2.61 0.07 0.61 0.00 -4.23 -1.26 -2.18 115.64 106.04 3cio s THR 540 Ca -0.15 -2.00 -0.18 0.00 -1.18 0.00 0.00 61.69 58.18 3cio s THR 540 Cb 0.00 -2.51 -0.05 0.00 1.34 0.00 0.00 72.50 71.29 3cio s THR 540 CO 0.78 0.00 0.85 -2.65 -0.54 0.00 0.00 174.62 173.06 3cio n PRO 541 N -0.43 0.74 -3.71 3.99 -0.02 -1.26 -3.79 135.00 130.52 3cio n PRO 541 Ca 0.03 0.29 -0.23 0.00 -2.02 0.00 0.00 63.50 61.57 3cio n PRO 541 Cb 0.65 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 32.07 3cio n PRO 541 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3cio n ASP 542 N -0.61 -5.25 -0.32 2.55 4.64 -1.26 -4.90 116.55 111.41 3cio n ASP 542 Ca 0.13 -0.87 0.06 0.00 -1.38 0.00 0.00 54.79 52.74 3cio n ASP 542 Cb 0.48 -2.30 0.01 0.00 -1.04 0.00 0.00 41.12 38.26 3cio n ASP 542 CO 0.00 0.00 0.00 -1.54 -0.82 0.00 0.00 177.20 174.84 3cio n SER 543 N -2.46 1.49 0.00 1.67 3.41 -1.25 -4.91 113.62 111.57 3cio n SER 543 Ca -0.24 -1.25 0.00 0.00 -0.26 0.00 0.00 58.87 57.12 3cio n SER 543 Cb 0.65 0.41 0.00 0.00 -0.26 0.00 0.00 64.21 65.01 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 0.98 0.55 0.36 5.00 0.00 -1.26 -4.30 105.19 106.53 3cio n GLY 544 Ca 0.06 -0.66 0.10 0.00 0.00 0.00 0.00 46.02 45.52 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 0.34 0.65 0.04 1.61 -0.00 -1.93 -2.08 116.57 115.22 3cio h LYS 545 Ca 0.00 -0.04 -0.23 0.00 -0.00 0.00 0.00 60.65 60.38 3cio h LYS 545 Cb 0.00 -0.15 -0.00 0.00 -0.00 0.00 0.00 32.23 32.08 3cio h LYS 545 CO 0.00 0.43 -1.01 1.15 -0.00 0.00 0.00 179.45 180.02 3cio h THR 546 N 0.67 1.50 -0.56 0.07 2.02 -1.94 -1.98 112.91 112.68 3cio h THR 546 Ca 0.37 -2.79 -0.09 0.00 0.77 0.00 0.00 66.41 64.67 3cio h THR 546 Cb 0.53 2.64 -0.02 0.00 -1.74 0.00 0.00 68.15 69.56 3cio h THR 546 CO -0.14 0.82 -0.02 0.15 0.37 0.00 0.00 175.52 176.69 3cio h PHE 547 N 0.12 1.08 0.26 3.16 3.04 -1.85 -1.10 116.94 121.63 3cio h PHE 547 Ca -0.08 -0.18 -0.01 0.00 3.98 0.00 0.00 57.97 61.68 3cio h PHE 547 Cb 1.69 -0.28 0.00 0.00 2.56 0.00 0.00 35.95 39.92 3cio h PHE 547 CO 0.04 0.97 -0.12 0.28 -2.02 0.00 0.00 178.31 177.46 3cio h VAL 548 N 0.90 0.80 -0.46 1.41 2.07 -1.37 -1.91 116.25 117.69 3cio h VAL 548 Ca 0.16 -0.47 -0.08 0.00 0.82 0.00 0.00 66.70 67.13 3cio h VAL 548 Cb 0.56 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.38 3cio h VAL 548 CO 0.03 0.10 -0.03 0.77 0.02 0.00 0.00 177.57 178.47 3cio h SER 549 N -0.59 0.82 -0.65 0.57 4.64 -1.35 -1.23 113.55 115.76 3cio h SER 549 Ca -0.04 -0.32 -0.03 0.00 -0.47 0.00 0.00 61.79 60.94 3cio h SER 549 Cb 0.43 -0.22 -0.03 0.00 -0.31 0.00 0.00 62.40 62.27 3cio h SER 549 CO 0.06 0.95 0.29 0.77 -0.87 0.00 0.00 176.83 178.02 3cio h SER 550 N 0.68 0.86 -0.38 4.97 4.64 -1.28 0.38 113.55 123.43 3cio h SER 550 Ca 0.13 -0.15 -0.03 0.00 -0.47 0.00 0.00 61.79 61.27 3cio h SER 550 Cb 0.54 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 62.39 3cio h SER 550 CO 0.03 0.77 0.10 0.74 -0.87 0.00 0.00 176.83 177.60 3cio h THR 551 N 0.90 1.22 -0.66 2.95 2.02 -1.24 -2.15 112.91 115.95 3cio h THR 551 Ca 0.22 -0.74 -0.03 0.00 0.77 0.00 0.00 66.41 66.62 3cio h THR 551 Cb 0.15 0.99 -0.03 0.00 -1.74 0.00 0.00 68.15 67.52 3cio h THR 551 CO -0.02 0.26 0.27 0.25 0.37 0.00 0.00 175.52 176.65 3cio h LEU 552 N 0.46 0.88 0.14 2.58 5.85 -0.99 -0.53 115.31 123.70 3cio h LEU 552 Ca 0.12 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.73 3cio h LEU 552 Cb 0.29 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 3cio h LEU 552 CO -0.00 0.78 -0.13 0.00 -0.34 0.00 0.00 178.44 178.75 3cio h ALA 553 N 1.35 -0.26 0.25 1.25 0.00 -0.70 0.25 119.26 121.39 3cio h ALA 553 Ca 0.23 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 3cio h ALA 553 Cb 0.17 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3cio h ALA 553 CO -0.02 -0.67 -0.19 0.00 0.00 0.00 0.00 179.25 178.37 3cio h ALA 554 N 0.54 -0.43 -0.13 0.00 0.00 -1.10 -0.49 119.26 117.65 3cio h ALA 554 Ca 0.00 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 54.88 3cio h ALA 554 Cb 0.28 0.25 -0.06 0.00 0.00 0.00 0.00 17.79 18.26 3cio h ALA 554 CO -0.03 -0.76 -0.25 0.28 0.00 0.00 0.00 179.25 178.49 3cio h VAL 555 N -0.45 0.40 -0.06 0.00 2.07 -0.97 -0.51 116.25 116.73 3cio h VAL 555 Ca -0.02 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.47 3cio h VAL 555 Cb 0.39 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 3cio h VAL 555 CO -0.01 0.00 -0.11 0.40 0.02 0.00 0.00 177.57 177.88 3cio h ILE 556 N -0.32 1.12 -0.47 4.57 2.04 -0.86 -2.43 117.51 121.15 3cio h ILE 556 Ca 0.10 -0.52 -0.13 0.00 1.00 0.00 0.00 64.86 65.31 3cio h ILE 556 Cb 0.47 1.19 -0.01 0.00 -0.74 0.00 0.00 36.82 37.73 3cio h ILE 556 CO -0.31 0.16 -0.23 0.00 0.00 0.00 0.00 178.15 177.77 3cio h ALA 557 N 1.81 0.70 0.00 1.87 0.00 0.02 -2.85 119.26 120.81 3cio h ALA 557 Ca 0.02 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3cio h ALA 557 Cb 0.25 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3cio h ALA 557 CO 0.02 0.67 0.00 1.04 0.00 0.00 0.00 179.25 180.98 3cio n GLN 558 N -4.11 0.13 -0.58 0.00 3.00 -0.31 -1.48 117.38 114.04 3cio n GLN 558 Ca 0.00 0.51 0.04 0.00 -0.01 0.00 0.00 57.00 57.54 3cio n GLN 558 Cb 0.46 -1.84 0.25 0.00 0.00 0.00 0.00 30.24 29.11 3cio n GLN 558 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 3cio n SER 559 N -2.11 4.00 -2.90 1.08 7.64 -1.08 -4.89 113.62 115.36 3cio n SER 559 Ca 0.00 -2.61 -0.12 0.00 1.01 0.00 0.00 58.87 57.16 3cio n SER 559 Cb 0.11 -0.62 0.06 0.00 -1.01 0.00 0.00 64.21 62.75 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 0.36 -5.75 -3.97 6.43 8.00 -0.55 -5.05 116.55 116.02 3cio n ASP 560 Ca 0.18 -0.56 -0.17 0.00 0.71 0.00 0.00 54.79 54.96 3cio n ASP 560 Cb 0.87 -4.29 -0.15 0.00 -0.02 0.00 0.00 41.12 37.53 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 -4.10 0.51 -0.35 -1.24 2.00 -1.16 -5.06 119.66 110.26 3cio s GLN 561 Ca 0.36 -0.21 -0.27 0.00 -2.00 0.00 0.00 55.36 53.25 3cio s GLN 561 Cb -0.05 -0.50 0.02 0.00 0.80 0.00 0.00 33.01 33.28 3cio s GLN 561 CO 0.59 0.12 0.99 0.15 -0.50 0.00 0.00 175.29 176.64 3cio s LYS 562 N -0.07 3.94 0.04 1.67 1.02 -1.26 -4.43 119.74 120.65 3cio s LYS 562 Ca 0.01 0.78 0.07 0.00 0.02 0.00 0.00 55.97 56.85 3cio s LYS 562 Cb -0.03 -3.77 -0.02 0.00 -0.52 0.00 0.00 37.83 33.48 3cio s LYS 562 CO -0.00 -0.93 -0.19 0.14 -0.92 0.00 0.00 175.35 173.45 3cio s VAL 563 N 3.56 1.50 -0.14 3.17 -7.23 -1.26 -0.37 120.40 119.63 3cio s VAL 563 Ca 0.41 -1.12 0.01 0.00 -1.81 0.00 0.00 61.98 59.47 3cio s VAL 563 Cb -0.12 -1.32 0.00 0.00 0.56 0.00 0.00 36.38 35.51 3cio s VAL 563 CO 0.17 0.16 -0.18 -0.22 -0.31 0.00 0.00 175.10 174.73 3cio s LEU 564 N -1.13 2.36 -0.19 1.32 0.20 -0.31 -2.22 118.68 118.71 3cio s LEU 564 Ca 0.06 -0.51 -0.04 0.00 0.69 0.00 0.00 54.13 54.33 3cio s LEU 564 Cb -0.08 -1.52 -0.02 0.00 -0.43 0.00 0.00 46.19 44.14 3cio s LEU 564 CO 0.02 0.09 -0.04 0.12 -0.29 0.00 0.00 176.35 176.25 3cio s PHE 565 N 0.75 2.98 -0.04 5.38 2.19 0.12 -0.65 117.98 128.71 3cio s PHE 565 Ca -0.07 -0.57 0.04 0.00 0.33 0.00 0.00 56.93 56.66 3cio s PHE 565 Cb -0.16 -2.03 -0.00 0.00 -1.31 0.00 0.00 43.02 39.52 3cio s PHE 565 CO 0.01 -0.27 -0.16 -1.50 1.83 0.00 0.00 175.22 175.13 3cio s ILE 566 N 0.89 1.31 -0.58 3.12 2.07 0.32 -0.78 121.20 127.57 3cio s ILE 566 Ca -0.00 -0.66 -0.20 0.00 -1.41 0.00 0.00 60.65 58.38 3cio s ILE 566 Cb -0.15 -1.13 0.08 0.00 0.13 0.00 0.00 42.46 41.39 3cio s ILE 566 CO 0.01 0.38 0.75 -0.62 -1.91 0.00 0.00 174.94 173.56 3cio s ASP 567 N 0.04 6.20 -0.20 4.50 3.68 -0.63 -0.59 116.67 129.68 3cio s ASP 567 Ca -0.03 -1.12 0.08 0.00 2.13 0.00 0.00 52.55 53.62 3cio s ASP 567 Cb -0.11 -2.33 0.57 0.00 -1.45 0.00 0.00 42.92 39.60 3cio s ASP 567 CO 0.02 -1.13 1.45 0.00 0.13 0.00 0.00 175.17 175.64 3cio n ALA 568 N 6.64 3.75 -3.16 3.66 0.00 0.19 -3.99 120.51 127.61 3cio n ALA 568 Ca -0.07 -1.51 -0.43 0.00 0.00 0.00 0.00 53.44 51.43 3cio n ALA 568 Cb 0.44 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.76 3cio n ALA 568 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3cio n ASP 569 N 0.22 5.99 0.00 0.00 -0.08 -1.24 -4.35 116.55 117.09 3cio n ASP 569 Ca 0.25 -3.26 0.00 0.00 -1.51 0.00 0.00 54.79 50.26 3cio n ASP 569 Cb 1.01 -1.30 0.00 0.00 2.34 0.00 0.00 41.12 43.18 3cio n ASP 569 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 3cio n LEU 570 N 1.85 0.00 -0.06 -2.67 4.77 -1.26 -0.95 117.00 118.68 3cio n LEU 570 Ca 0.25 0.31 -0.07 0.00 -0.03 0.00 0.00 56.01 56.47 3cio n LEU 570 Cb 0.36 -0.31 -0.08 0.00 -2.33 0.00 0.00 43.42 41.06 3cio n LEU 570 CO 0.61 -0.31 -0.89 0.54 -1.33 0.00 0.00 177.39 176.02 3cio n ARG 571 N -1.29 1.62 -0.06 3.23 1.74 -1.26 -4.49 116.66 116.15 3cio n ARG 571 Ca 0.00 0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 3cio n ARG 571 Cb 0.12 -1.28 0.00 0.00 -1.02 0.00 0.00 32.46 30.29 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 -2.56 0.26 -1.67 5.56 1.74 -1.01 -5.03 116.66 113.94 3cio n ARG 572 Ca -0.20 -0.66 -0.40 0.00 -0.77 0.00 0.00 57.85 55.82 3cio n ARG 572 Cb 0.82 -0.55 0.03 0.00 -1.02 0.00 0.00 32.46 31.74 3cio n ARG 572 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3cio n GLY 573 N -0.06 0.26 0.00 -0.13 0.00 -0.13 -4.89 105.19 100.24 3cio n GLY 573 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.11 3cio n GLY 573 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3cio n TYR 574 N -0.72 0.00 0.12 1.61 0.18 -1.26 -4.83 117.16 112.25 3cio n TYR 574 Ca 0.09 -0.13 0.20 0.00 1.88 0.00 0.00 57.90 59.94 3cio n TYR 574 Cb 0.42 -0.01 0.76 0.00 -0.38 0.00 0.00 39.34 40.12 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 0.55 9.48 4.64 -1.99 0.54 113.55 126.77 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 0.74 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.81 3cio h SER 575 CO 0.00 0.00 -0.58 1.12 -0.87 0.00 0.00 176.83 176.50 3cio h HIS 576 N 0.00 0.04 -0.01 4.77 2.07 -1.89 0.46 115.15 120.59 3cio h HIS 576 Ca 0.17 -0.02 -0.20 0.00 -2.85 0.00 0.00 60.37 57.47 3cio h HIS 576 Cb 1.00 -0.01 -0.00 0.00 2.57 0.00 0.00 27.41 30.97 3cio h HIS 576 CO 0.00 0.61 -0.87 -0.91 -3.07 0.00 0.00 177.93 173.68 3cio h ASN 577 N 0.03 0.39 -0.13 3.10 -0.26 -0.23 0.80 115.58 119.28 3cio h ASN 577 Ca -0.01 -0.31 -0.07 0.00 -0.56 0.00 0.00 56.30 55.36 3cio h ASN 577 Cb 1.03 -0.12 -0.00 0.00 -1.06 0.00 0.00 38.32 38.17 3cio h ASN 577 CO 0.08 1.09 -0.19 0.25 -1.06 0.00 0.00 177.43 177.60 3cio h LEU 578 N 0.18 0.39 -0.59 1.61 6.46 -0.97 -2.77 115.31 119.60 3cio h LEU 578 Ca -0.06 -0.53 0.00 0.00 -0.12 0.00 0.00 57.88 57.18 3cio h LEU 578 Cb 1.49 -0.11 0.00 0.00 -0.73 0.00 0.00 40.66 41.31 3cio h LEU 578 CO 0.14 0.84 0.00 0.49 -0.62 0.00 0.00 178.44 179.29 3cio n PHE 579 N -4.52 0.12 -3.44 1.25 0.99 0.12 -4.68 117.46 107.30 3cio n PHE 579 Ca -0.07 -0.06 -0.18 0.00 -0.00 0.00 0.00 57.45 57.14 3cio n PHE 579 Cb 0.40 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.88 3cio n PHE 579 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 3cio n THR 580 N -0.19 -2.00 -4.43 4.37 -2.24 -0.07 -4.95 114.28 104.78 3cio n THR 580 Ca 0.15 -0.06 -0.21 0.00 -2.27 0.00 0.00 64.05 61.65 3cio n THR 580 Cb 0.20 -1.77 -0.10 0.00 -2.10 0.00 0.00 70.33 66.56 3cio n THR 580 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3cio s VAL 581 N -2.85 0.87 0.54 2.28 0.11 0.08 -4.86 120.40 116.56 3cio s VAL 581 Ca 0.05 -2.00 -0.20 0.00 -2.93 0.00 0.00 61.98 56.90 3cio s VAL 581 Cb -0.03 -2.65 -0.06 0.00 -1.53 0.00 0.00 36.38 32.12 3cio s VAL 581 CO 0.58 0.00 1.14 -0.55 -3.33 0.00 0.00 175.10 172.95 3cio s SER 582 N -3.47 5.70 -0.13 3.54 0.15 -1.26 -4.69 113.70 113.55 3cio s SER 582 Ca 0.34 2.22 0.15 0.00 0.70 0.00 0.00 55.95 59.36 3cio s SER 582 Cb 0.07 -2.59 0.33 0.00 -1.71 0.00 0.00 66.02 62.13 3cio s SER 582 CO 0.15 -1.23 1.16 -3.20 1.20 0.00 0.00 173.24 171.32 3cio n ASN 583 N -1.25 1.58 0.08 5.45 5.15 -1.26 -4.79 115.26 120.22 3cio n ASN 583 Ca 0.11 -3.12 -0.16 0.00 -0.60 0.00 0.00 54.58 50.82 3cio n ASN 583 Cb 0.50 -0.42 -0.14 0.00 -0.53 0.00 0.00 39.78 39.19 3cio n ASN 583 CO 0.00 0.00 0.00 -0.33 1.40 0.00 0.00 177.26 178.33 3cio h GLU 584 N 0.59 0.25 -4.84 1.20 4.39 -1.93 -3.33 114.58 110.90 3cio h GLU 584 Ca -0.04 -0.43 -0.66 0.00 0.34 0.00 0.00 59.36 58.58 3cio h GLU 584 Cb 1.20 0.16 -0.37 0.00 -0.10 0.00 0.00 28.75 29.64 3cio h GLU 584 CO 0.02 1.14 -0.81 -1.01 -1.16 0.00 0.00 179.01 177.19 3cio s HIS 585 N -2.63 3.01 0.00 4.33 3.76 -1.26 -4.56 115.29 117.93 3cio s HIS 585 Ca -0.06 -2.06 0.00 0.00 -0.15 0.00 0.00 55.06 52.78 3cio s HIS 585 Cb 0.07 -1.87 0.00 0.00 1.11 0.00 0.00 32.58 31.89 3cio s HIS 585 CO 0.87 -0.84 0.00 0.41 -0.85 0.00 0.00 174.74 174.32 3cio n GLY 586 N 4.52 4.84 0.14 -2.22 0.00 -1.26 -4.64 105.19 106.57 3cio n GLY 586 Ca -0.15 -1.25 -0.06 0.00 0.00 0.00 0.00 46.02 44.56 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 -0.12 -0.73 0.99 5.85 0.13 -2.00 115.31 119.42 3cio h LEU 587 Ca 0.00 0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.84 3cio h LEU 587 Cb 0.00 0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.11 3cio h LEU 587 CO 0.00 -0.03 0.44 0.77 -0.34 0.00 0.00 178.44 179.28 3cio h SER 588 N 0.09 0.69 -0.69 1.25 4.64 -0.61 0.14 113.55 119.07 3cio h SER 588 Ca 0.15 0.01 -0.07 0.00 -0.47 0.00 0.00 61.79 61.42 3cio h SER 588 Cb 0.21 -0.13 -0.03 0.00 -0.31 0.00 0.00 62.40 62.14 3cio h SER 588 CO -0.26 0.46 0.15 -0.33 -0.87 0.00 0.00 176.83 175.98 3cio h GLU 589 N 0.83 1.12 -0.17 4.77 3.07 -1.73 -1.57 114.58 120.91 3cio h GLU 589 Ca 0.31 -0.28 -0.06 0.00 -0.50 0.00 0.00 59.36 58.83 3cio h GLU 589 Cb 0.11 -0.14 -0.00 0.00 -0.84 0.00 0.00 28.75 27.88 3cio h GLU 589 CO -0.15 1.00 -0.13 -0.92 -1.40 0.00 0.00 179.01 177.41 3cio h TYR 590 N 1.06 0.46 -0.26 4.33 3.20 -0.78 -0.32 116.97 124.66 3cio h TYR 590 Ca 0.22 -0.13 -0.04 0.00 3.14 0.00 0.00 58.73 61.92 3cio h TYR 590 Cb 0.40 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.56 3cio h TYR 590 CO 0.03 0.74 -0.03 -0.07 -1.64 0.00 0.00 178.16 177.19 3cio h LEU 591 N 0.04 0.36 0.00 2.82 3.38 -0.70 -1.46 115.31 119.75 3cio h LEU 591 Ca 0.03 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3cio h LEU 591 Cb 0.65 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.30 3cio h LEU 591 CO 0.03 0.45 0.00 0.00 0.09 0.00 0.00 178.44 179.01 3cio n ALA 592 N -2.48 2.36 -0.94 1.53 0.00 -0.60 -4.84 120.51 115.54 3cio n ALA 592 Ca 0.01 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.31 3cio n ALA 592 Cb 0.23 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.24 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 0.95 0.68 0.10 0.00 0.00 -0.55 -4.94 105.19 101.44 3cio n GLY 593 Ca 0.14 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.05 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 1.84 -0.11 -6.55 1.61 1.57 -1.29 -3.47 116.57 110.17 3cio h LYS 594 Ca 0.00 0.01 -0.45 0.00 -1.87 0.00 0.00 60.65 58.33 3cio h LYS 594 Cb 0.00 0.03 0.03 0.00 0.08 0.00 0.00 32.23 32.36 3cio h LYS 594 CO 0.00 0.42 -0.17 -0.51 -0.57 0.00 0.00 179.45 178.61 3cio s ASP 595 N -5.69 5.37 0.24 0.86 -0.00 -0.85 -4.99 116.67 111.61 3cio s ASP 595 Ca -0.13 -0.62 0.08 0.00 -0.00 0.00 0.00 52.55 51.88 3cio s ASP 595 Cb -0.00 -0.20 -0.04 0.00 -0.00 0.00 0.00 42.92 42.68 3cio s ASP 595 CO 0.50 -1.06 0.11 -0.70 -0.00 0.00 0.00 175.17 174.03 3cio s GLU 596 N -4.52 2.69 0.13 8.23 2.56 -1.26 -4.57 118.70 121.97 3cio s GLU 596 Ca 0.58 -1.14 -0.27 0.00 0.00 0.00 0.00 54.97 54.14 3cio s GLU 596 Cb -0.08 -2.44 -0.03 0.00 2.00 0.00 0.00 34.13 33.58 3cio s GLU 596 CO 0.36 0.41 1.60 1.25 -0.56 0.00 0.00 175.26 178.32 3cio h LEU 597 N 1.83 -1.10 -2.13 2.70 5.85 -2.00 -0.51 115.31 119.95 3cio h LEU 597 Ca -0.47 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.40 3cio h LEU 597 Cb 1.23 0.46 0.00 0.00 0.37 0.00 0.00 40.66 42.72 3cio h LEU 597 CO 0.61 -0.39 0.00 0.78 -0.34 0.00 0.00 178.44 179.10 3cio h ASN 598 N -0.44 0.00 0.77 1.25 4.21 -1.97 -1.47 115.58 117.94 3cio h ASN 598 Ca 0.09 0.00 -0.20 0.00 1.21 0.00 0.00 56.30 57.39 3cio h ASN 598 Cb 0.58 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.76 3cio h ASN 598 CO -0.36 0.00 -0.94 0.50 -1.29 0.00 0.00 177.43 175.34 3cio h LYS 599 N 0.00 0.09 -0.00 0.81 1.63 -1.50 -3.32 116.57 114.28 3cio h LYS 599 Ca 0.00 -0.12 0.00 0.00 -0.85 0.00 0.00 60.65 59.68 3cio h LYS 599 Cb 0.11 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 31.78 3cio h LYS 599 CO 0.00 0.96 -0.72 1.33 -3.45 0.00 0.00 179.45 177.57 3cio n VAL 600 N -3.53 0.00 -3.19 2.00 0.24 -0.58 -4.82 118.33 108.45 3cio n VAL 600 Ca -0.02 -0.04 -0.41 0.00 -2.04 0.00 0.00 64.34 61.82 3cio n VAL 600 Cb 0.86 0.75 -0.07 0.00 -1.47 0.00 0.00 33.84 33.92 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 -2.89 4.97 0.48 1.34 1.01 -1.03 -4.34 121.20 120.74 3cio s ILE 601 Ca 0.12 0.50 0.05 0.00 0.00 0.00 0.00 60.65 61.31 3cio s ILE 601 Cb 0.17 -3.99 -0.01 0.00 0.01 0.00 0.00 42.46 38.64 3cio s ILE 601 CO 0.75 -0.22 0.23 -1.10 0.00 0.00 0.00 174.94 174.60 3cio s GLN 602 N 2.51 2.23 -0.09 2.79 -0.21 0.40 -4.94 119.66 122.35 3cio s GLN 602 Ca 0.21 -2.03 0.04 0.00 0.02 0.00 0.00 55.36 53.60 3cio s GLN 602 Cb -0.15 -1.93 -0.00 0.00 1.00 0.00 0.00 33.01 31.93 3cio s GLN 602 CO 0.13 -0.36 -0.23 -1.58 -2.12 0.00 0.00 175.29 171.13 3cio s HIS 603 N -2.73 2.42 -0.67 0.91 5.65 -1.26 -0.09 115.29 119.53 3cio s HIS 603 Ca 0.30 -0.94 -0.18 0.00 0.25 0.00 0.00 55.06 54.49 3cio s HIS 603 Cb 0.01 -1.62 0.12 0.00 -1.18 0.00 0.00 32.58 29.91 3cio s HIS 603 CO 0.18 -0.37 0.78 0.12 -0.65 0.00 0.00 174.74 174.80 3cio s PHE 604 N 0.27 3.09 0.11 3.88 5.99 -0.00 -4.92 117.98 126.39 3cio s PHE 604 Ca -0.16 -1.12 -0.24 0.00 0.00 0.00 0.00 56.93 55.41 3cio s PHE 604 Cb -0.17 -4.04 -0.07 0.00 0.00 0.00 0.00 43.02 38.74 3cio s PHE 604 CO 0.07 -1.30 1.41 0.78 -0.00 0.00 0.00 175.22 176.18 3cio h GLY 605 N 9.83 -1.28 0.41 13.12 0.00 -1.93 0.56 103.07 123.77 3cio h GLY 605 Ca -0.19 0.83 0.03 0.00 0.00 0.00 0.00 47.33 48.00 3cio h GLY 605 CO 1.07 -0.25 -0.24 0.50 0.00 0.00 0.00 176.54 177.62 3cio h LYS 606 N -0.14 -0.35 -0.15 4.80 1.57 -1.97 -2.72 116.57 117.61 3cio h LYS 606 Ca 0.09 0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.80 3cio h LYS 606 Cb 0.37 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 3cio h LYS 606 CO -0.58 -0.23 -0.33 0.78 -0.57 0.00 0.00 179.45 178.52 3cio h GLY 607 N -0.36 0.32 0.00 3.86 0.00 -1.92 -3.48 103.07 101.49 3cio h GLY 607 Ca 0.07 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.13 3cio h GLY 607 CO -0.24 0.25 0.00 0.61 0.00 0.00 0.00 176.54 177.16 3cio n GLY 608 N -0.35 0.50 3.26 4.60 0.00 0.19 -4.71 105.19 108.68 3cio n GLY 608 Ca -0.01 -0.89 -0.15 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 1.31 0.12 1.61 -0.71 -1.22 -4.89 117.98 112.20 3cio s PHE 609 Ca 0.00 -0.74 -0.24 0.00 -1.04 0.00 0.00 56.93 54.91 3cio s PHE 609 Cb 0.00 -0.66 -0.07 0.00 -1.21 0.00 0.00 43.02 41.08 3cio s PHE 609 CO 0.00 0.11 0.74 -0.51 -1.34 0.00 0.00 175.22 174.22 3cio s ASP 610 N -3.18 7.29 0.13 1.98 -0.00 -0.94 -0.82 116.67 121.13 3cio s ASP 610 Ca 0.17 1.53 0.05 0.00 -0.00 0.00 0.00 52.55 54.30 3cio s ASP 610 Cb 0.02 -2.47 -0.04 0.00 -0.00 0.00 0.00 42.92 40.43 3cio s ASP 610 CO 0.01 0.17 -0.11 0.68 -0.00 0.00 0.00 175.17 175.92 3cio s VAL 611 N -0.88 1.16 -0.10 -1.27 -7.23 0.87 0.11 120.40 113.07 3cio s VAL 611 Ca 0.35 -1.88 -0.01 0.00 -1.81 0.00 0.00 61.98 58.63 3cio s VAL 611 Cb -0.22 -1.65 0.03 0.00 0.56 0.00 0.00 36.38 35.09 3cio s VAL 611 CO 0.24 -0.62 -0.04 -0.63 -0.31 0.00 0.00 175.10 173.74 3cio s ILE 612 N -2.82 0.76 0.88 -0.62 1.01 0.04 -0.46 121.20 119.99 3cio s ILE 612 Ca 0.12 -0.13 -0.11 0.00 0.00 0.00 0.00 60.65 60.53 3cio s ILE 612 Cb -0.01 -0.84 0.17 0.00 0.01 0.00 0.00 42.46 41.79 3cio s ILE 612 CO 0.01 0.31 1.21 0.42 0.00 0.00 0.00 174.94 176.89 3cio s THR 613 N 1.82 2.05 0.06 2.92 -4.23 -1.26 -1.60 115.64 115.39 3cio s THR 613 Ca 0.05 -0.19 -0.22 0.00 -1.18 0.00 0.00 61.69 60.15 3cio s THR 613 Cb -0.13 -2.86 -0.13 0.00 1.34 0.00 0.00 72.50 70.73 3cio s THR 613 CO -0.07 0.00 1.52 0.03 -0.54 0.00 0.00 174.62 175.56 3cio h ARG 614 N -1.25 0.22 0.00 3.99 3.08 -1.91 0.31 114.38 118.82 3cio h ARG 614 Ca -0.42 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.57 3cio h ARG 614 Cb 1.25 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.28 3cio h ARG 614 CO 0.40 0.42 0.00 0.41 -1.07 0.00 0.00 179.97 180.13 3cio n GLY 615 N -0.40 -1.59 3.75 0.04 0.00 -1.26 0.10 105.19 105.83 3cio n GLY 615 Ca -0.05 -2.08 -0.41 0.00 0.00 0.00 0.00 46.02 43.48 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 -0.01 4.60 -0.18 1.61 -1.52 -1.25 -4.90 119.66 118.01 3cio s GLN 616 Ca 0.00 1.82 -0.35 0.00 -1.95 0.00 0.00 55.36 54.88 3cio s GLN 616 Cb 0.00 -3.20 -0.12 0.00 -0.22 0.00 0.00 33.01 29.47 3cio s GLN 616 CO 0.00 0.13 1.94 0.28 -0.25 0.00 0.00 175.29 177.38 3cio n VAL 617 N 1.55 0.45 -1.93 1.09 0.31 -1.26 -4.78 118.33 113.77 3cio n VAL 617 Ca 0.00 -0.15 -0.30 0.00 -0.01 0.00 0.00 64.34 63.89 3cio n VAL 617 Cb 0.45 -1.77 0.05 0.00 -0.91 0.00 0.00 33.84 31.65 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 4.54 2.84 0.25 5.55 0.04 -1.26 -4.96 135.00 142.00 3cio s PRO 618 Ca 0.97 0.41 0.25 0.00 0.04 0.00 0.00 61.00 62.67 3cio s PRO 618 Cb -0.77 -2.04 0.64 0.00 0.04 0.00 0.00 34.50 32.37 3cio s PRO 618 CO 0.53 -1.02 1.68 -1.35 0.04 0.00 0.00 177.00 176.88 3cio h PRO 619 N -0.62 0.00 -2.12 0.56 0.11 -1.99 -3.36 132.00 124.58 3cio h PRO 619 Ca -0.45 0.00 -0.54 0.00 0.11 0.00 0.00 66.00 65.12 3cio h PRO 619 Cb 1.26 0.00 -0.41 0.00 0.11 0.00 0.00 31.00 31.96 3cio h PRO 619 CO 0.64 0.00 -0.92 0.27 -0.21 0.00 0.00 178.00 177.78 3cio n ASN 620 N -2.44 2.37 -0.13 -2.05 2.04 -1.26 -5.00 115.26 108.79 3cio n ASN 620 Ca 0.05 -3.25 -0.12 0.00 -0.44 0.00 0.00 54.58 50.81 3cio n ASN 620 Cb 0.46 -0.61 -0.09 0.00 -2.53 0.00 0.00 39.78 37.01 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 3.27 -0.32 -0.60 -0.53 0.11 -1.96 -2.46 132.00 129.51 3cio h PRO 621 Ca 0.12 0.02 0.02 0.00 0.11 0.00 0.00 66.00 66.27 3cio h PRO 621 Cb 0.76 0.07 -0.04 0.00 0.11 0.00 0.00 31.00 31.90 3cio h PRO 621 CO 0.65 -0.21 0.38 0.77 -0.21 0.00 0.00 178.00 179.37 3cio h SER 622 N -0.33 0.63 -0.07 -2.05 0.02 -1.96 -2.47 113.55 107.30 3cio h SER 622 Ca 0.07 -0.00 0.01 0.00 -0.84 0.00 0.00 61.79 61.02 3cio h SER 622 Cb 0.51 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 62.91 3cio h SER 622 CO -0.53 0.45 0.05 -0.33 -1.14 0.00 0.00 176.83 175.33 3cio h GLU 623 N 0.76 0.05 0.05 3.45 3.07 -1.94 -2.00 114.58 118.02 3cio h GLU 623 Ca 0.24 -0.00 -0.23 0.00 -0.50 0.00 0.00 59.36 58.86 3cio h GLU 623 Cb -0.01 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 27.88 3cio h GLU 623 CO -0.08 0.03 -1.05 -0.07 -1.40 0.00 0.00 179.01 176.43 3cio h LEU 624 N 0.05 0.29 -1.46 1.33 3.38 -0.98 -3.04 115.31 114.88 3cio h LEU 624 Ca 0.03 -0.28 -0.03 0.00 0.09 0.00 0.00 57.88 57.69 3cio h LEU 624 Cb 0.07 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 3cio h LEU 624 CO -0.00 1.16 -0.17 -0.07 0.09 0.00 0.00 178.44 179.45 3cio h LEU 625 N 0.08 0.00 -0.18 1.67 3.38 -1.18 -1.79 115.31 117.30 3cio h LEU 625 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3cio h LEU 625 Cb 1.75 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.50 3cio h LEU 625 CO 0.16 0.17 -0.43 0.23 0.09 0.00 0.00 178.44 178.66 3cio n MET 626 N -3.43 0.30 0.00 1.13 2.81 -1.04 -4.73 117.12 112.16 3cio n MET 626 Ca -0.01 -0.18 0.00 0.00 -1.81 0.00 0.00 57.70 55.70 3cio n MET 626 Cb 0.35 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.36 3cio n MET 626 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 3cio n ARG 627 N -1.19 0.00 0.00 0.03 3.00 -0.67 -4.92 116.66 112.91 3cio n ARG 627 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.93 3cio n ARG 627 Cb 0.34 -0.30 0.00 0.00 0.00 0.00 0.00 32.46 32.50 3cio n ARG 627 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 3cio n ASP 628 N 0.00 0.00 0.23 6.15 2.03 -1.26 -4.90 116.55 118.80 3cio n ASP 628 Ca 0.00 0.00 0.12 0.00 0.52 0.00 0.00 54.79 55.43 3cio n ASP 628 Cb 0.00 0.00 0.51 0.00 -0.72 0.00 0.00 41.12 40.91 3cio n ASP 628 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 3cio h ARG 629 N 0.00 0.00 0.41 -0.67 3.08 -1.89 -1.19 114.38 114.12 3cio h ARG 629 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 3cio h ARG 629 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3cio h ARG 629 CO 0.00 0.17 -0.20 1.98 -1.07 0.00 0.00 179.97 180.86 3cio h MET 630 N 0.00 -0.53 0.52 0.04 4.05 -1.85 0.52 114.93 117.69 3cio h MET 630 Ca -0.00 0.04 -0.02 0.00 -0.28 0.00 0.00 59.70 59.43 3cio h MET 630 Cb 0.69 0.12 0.00 0.00 -0.80 0.00 0.00 31.60 31.62 3cio h MET 630 CO 0.02 -0.32 -0.26 -0.09 0.23 0.00 0.00 176.91 176.49 3cio h ARG 631 N -0.59 -0.69 -0.84 0.39 2.43 -1.85 -1.05 114.38 112.18 3cio h ARG 631 Ca -0.06 0.05 0.20 0.00 -0.81 0.00 0.00 59.98 59.36 3cio h ARG 631 Cb 0.44 0.16 -0.12 0.00 -0.42 0.00 0.00 29.97 30.03 3cio h ARG 631 CO 0.09 -0.46 0.30 1.96 -1.51 0.00 0.00 179.97 180.35 3cio h GLN 632 N -0.72 0.32 0.86 0.20 4.20 -1.09 -0.19 115.11 118.69 3cio h GLN 632 Ca -0.07 -0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.58 3cio h GLN 632 Cb 0.55 -0.07 0.01 0.00 0.30 0.00 0.00 27.48 28.27 3cio h GLN 632 CO 0.11 0.21 -0.41 1.25 -0.67 0.00 0.00 178.83 179.32 3cio h LEU 633 N 0.33 -0.98 -0.88 1.46 5.85 0.45 -1.66 115.31 119.87 3cio h LEU 633 Ca 0.51 0.03 0.17 0.00 0.84 0.00 0.00 57.88 59.44 3cio h LEU 633 Cb 0.95 0.25 -0.10 0.00 0.37 0.00 0.00 40.66 42.13 3cio h LEU 633 CO -0.54 -0.70 0.44 -0.07 -0.34 0.00 0.00 178.44 177.23 3cio h LEU 634 N -1.17 0.50 -0.50 2.25 3.38 -0.12 0.22 115.31 119.87 3cio h LEU 634 Ca -0.12 0.11 -0.16 0.00 0.09 0.00 0.00 57.88 57.81 3cio h LEU 634 Cb 0.89 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.66 3cio h LEU 634 CO 0.19 0.16 -0.74 1.05 0.09 0.00 0.00 178.44 179.19 3cio h GLU 635 N 0.57 0.00 0.11 1.13 4.11 -1.05 -0.71 114.58 118.74 3cio h GLU 635 Ca 0.51 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.93 3cio h GLU 635 Cb 0.81 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.06 3cio h GLU 635 CO -0.42 0.74 -0.05 2.35 0.07 0.00 0.00 179.01 181.71 3cio h TRP 636 N 0.00 -0.14 -1.00 2.06 7.01 -0.09 -2.99 115.95 120.80 3cio h TRP 636 Ca -0.01 -0.00 0.14 0.00 2.11 0.00 0.00 58.89 61.13 3cio h TRP 636 Cb 1.33 0.04 -0.09 0.00 -2.10 0.00 0.00 29.16 28.34 3cio h TRP 636 CO 0.00 0.18 0.63 0.00 -2.79 0.00 0.00 178.44 176.45 3cio h ALA 637 N 0.39 1.57 -0.13 2.65 0.00 -0.54 -1.05 119.26 122.15 3cio h ALA 637 Ca -0.01 0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.97 3cio h ALA 637 Cb 0.37 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3cio h ALA 637 CO 0.02 0.15 0.17 -0.97 0.00 0.00 0.00 179.25 178.62 3cio h ASN 638 N 0.93 0.00 0.14 0.00 -1.24 -0.97 -1.27 115.58 113.17 3cio h ASN 638 Ca 0.52 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.53 3cio h ASN 638 Cb 0.60 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.65 3cio h ASN 638 CO -0.29 0.00 -0.37 0.47 -1.29 0.00 0.00 177.43 175.95 3cio n ASP 639 N -3.68 1.38 0.00 1.15 8.00 -0.40 -4.30 116.55 118.71 3cio n ASP 639 Ca 0.00 -1.11 0.00 0.00 0.71 0.00 0.00 54.79 54.40 3cio n ASP 639 Cb 0.27 0.29 0.00 0.00 -0.02 0.00 0.00 41.12 41.66 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 -0.47 0.00 -4.29 1.24 8.25 -0.56 -5.03 115.22 114.35 3cio n HIS 640 Ca 0.11 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.37 3cio n HIS 640 Cb 0.39 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.37 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 -0.49 1.32 0.14 4.41 1.51 -0.70 -4.98 117.35 118.56 3cio s TYR 641 Ca 0.00 -0.40 0.09 0.00 -1.01 0.00 0.00 57.07 55.74 3cio s TYR 641 Cb 0.00 -0.76 -0.03 0.00 -0.11 0.00 0.00 41.96 41.06 3cio s TYR 641 CO 0.00 0.07 1.38 -0.44 -1.11 0.00 0.00 175.55 175.45 3cio h ASP 642 N 4.58 0.00 -3.59 2.29 3.32 -1.03 -3.45 116.42 118.53 3cio h ASP 642 Ca -0.40 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.44 3cio h ASP 642 Cb 1.18 0.00 -0.29 0.00 0.22 0.00 0.00 39.33 40.45 3cio h ASP 642 CO 0.42 0.86 -0.53 -0.22 -1.72 0.00 0.00 179.24 178.04 3cio s LEU 643 N -6.91 0.95 -0.22 1.55 1.98 -0.93 -4.85 118.68 110.25 3cio s LEU 643 Ca 0.01 0.37 0.01 0.00 -2.89 0.00 0.00 54.13 51.63 3cio s LEU 643 Cb 0.10 0.56 0.05 0.00 0.66 0.00 0.00 46.19 47.56 3cio s LEU 643 CO 0.80 -0.11 -0.10 -0.69 -1.89 0.00 0.00 176.35 174.36 3cio s VAL 644 N 0.66 1.77 -0.26 1.68 1.01 -0.44 -1.16 120.40 123.66 3cio s VAL 644 Ca -0.05 -1.22 -0.10 0.00 0.00 0.00 0.00 61.98 60.62 3cio s VAL 644 Cb -0.06 -1.89 -0.04 0.00 0.00 0.00 0.00 36.38 34.39 3cio s VAL 644 CO -0.03 0.07 0.14 -0.63 0.00 0.00 0.00 175.10 174.65 3cio s ILE 645 N 1.31 4.95 -0.27 2.22 1.01 0.18 0.50 121.20 131.11 3cio s ILE 645 Ca -0.04 0.05 -0.03 0.00 0.00 0.00 0.00 60.65 60.63 3cio s ILE 645 Cb -0.18 -3.34 0.03 0.00 0.01 0.00 0.00 42.46 38.98 3cio s ILE 645 CO -0.07 0.29 -0.01 -0.69 0.00 0.00 0.00 174.94 174.46 3cio s VAL 646 N 1.61 3.19 -0.12 2.92 1.01 0.01 -0.52 120.40 128.51 3cio s VAL 646 Ca 0.07 -1.01 -0.26 0.00 0.00 0.00 0.00 61.98 60.78 3cio s VAL 646 Cb -0.15 -2.67 -0.02 0.00 0.00 0.00 0.00 36.38 33.53 3cio s VAL 646 CO 0.08 0.10 0.84 -1.81 0.00 0.00 0.00 175.10 174.30 3cio s ASP 647 N 1.36 7.04 0.10 3.32 1.11 0.24 -1.65 116.67 128.19 3cio s ASP 647 Ca -0.00 1.28 0.08 0.00 0.18 0.00 0.00 52.55 54.08 3cio s ASP 647 Cb -0.17 -2.47 -0.04 0.00 1.07 0.00 0.00 42.92 41.31 3cio s ASP 647 CO -0.02 -0.32 -0.21 0.42 1.18 0.00 0.00 175.17 176.22 3cio s THR 648 N 1.67 1.73 0.73 -1.27 -4.23 -1.11 0.56 115.64 113.72 3cio s THR 648 Ca 0.41 -1.56 -0.16 0.00 -1.18 0.00 0.00 61.69 59.21 3cio s THR 648 Cb -0.18 -1.57 0.03 0.00 1.34 0.00 0.00 72.50 72.12 3cio s THR 648 CO 0.16 -0.06 1.16 -0.81 -0.54 0.00 0.00 174.62 174.53 3cio n PRO 649 N 1.07 0.58 -1.54 3.99 -0.04 -1.26 -4.34 135.00 133.46 3cio n PRO 649 Ca -0.19 0.26 -0.50 0.00 -0.04 0.00 0.00 63.50 63.03 3cio n PRO 649 Cb 0.54 -2.40 -0.04 0.00 -0.04 0.00 0.00 33.50 31.55 3cio n PRO 649 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 3cio n PRO 650 N -2.39 0.81 0.03 0.54 -0.02 -1.26 -4.47 135.00 128.24 3cio n PRO 650 Ca 0.14 0.29 0.09 0.00 -2.02 0.00 0.00 63.50 62.00 3cio n PRO 650 Cb 0.49 -1.69 0.52 0.00 -0.02 0.00 0.00 33.50 32.80 3cio n PRO 650 CO 0.00 0.00 0.00 1.98 1.98 0.00 0.00 175.50 179.46 3cio h MET 651 N 2.80 0.33 -0.91 -0.52 4.05 -1.23 -1.78 114.93 117.68 3cio h MET 651 Ca -0.41 -0.02 -0.26 0.00 -0.28 0.00 0.00 59.70 58.73 3cio h MET 651 Cb 1.37 -0.07 -0.15 0.00 -0.80 0.00 0.00 31.60 31.94 3cio h MET 651 CO 0.66 0.22 0.33 1.28 0.23 0.00 0.00 176.91 179.63 3cio n LEU 652 N -4.48 5.31 0.00 3.39 4.77 -0.93 -4.06 117.00 121.00 3cio n LEU 652 Ca 0.04 -2.78 0.00 0.00 -0.03 0.00 0.00 56.01 53.24 3cio n LEU 652 Cb 0.21 -0.71 0.00 0.00 -2.33 0.00 0.00 43.42 40.59 3cio n LEU 652 CO 0.35 0.78 -0.36 0.00 -1.33 0.00 0.00 177.39 176.82 3cio n ALA 653 N -0.33 1.85 -3.40 -1.18 0.00 -0.68 -5.00 120.51 111.77 3cio n ALA 653 Ca 0.36 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.71 3cio n ALA 653 Cb 1.22 0.26 -0.04 0.00 0.00 0.00 0.00 19.45 20.90 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 -1.73 0.00 -1.74 0.00 -7.23 -1.17 -5.04 120.40 103.49 3cio s VAL 654 Ca 0.00 -1.28 0.26 0.00 -1.81 0.00 0.00 61.98 59.15 3cio s VAL 654 Cb 0.00 -2.18 0.21 0.00 0.56 0.00 0.00 36.38 34.98 3cio s VAL 654 CO 0.00 0.00 1.49 -1.54 -0.31 0.00 0.00 175.10 174.74 3cio n SER 655 N -0.47 1.12 -0.30 4.85 3.41 -1.26 -4.50 113.62 116.47 3cio n SER 655 Ca -0.02 -0.94 0.03 0.00 -0.26 0.00 0.00 58.87 57.68 3cio n SER 655 Cb 0.61 0.20 0.10 0.00 -0.26 0.00 0.00 64.21 64.86 3cio n SER 655 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3cio h ASP 656 N 1.28 -0.82 -0.80 4.04 3.32 -1.92 -0.51 116.42 121.01 3cio h ASP 656 Ca 0.00 0.26 0.10 0.00 0.02 0.00 0.00 57.03 57.40 3cio h ASP 656 Cb 0.54 0.54 -0.06 0.00 0.22 0.00 0.00 39.33 40.57 3cio h ASP 656 CO 0.00 -0.28 0.52 0.00 -1.72 0.00 0.00 179.24 177.76 3cio h ALA 657 N 1.80 1.77 0.00 3.45 0.00 -1.79 -1.04 119.26 123.45 3cio h ALA 657 Ca 0.40 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 55.17 3cio h ALA 657 Cb 0.62 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3cio h ALA 657 CO -0.87 0.06 -0.62 0.00 0.00 0.00 0.00 179.25 177.83 3cio h ALA 658 N 1.60 0.73 0.05 0.00 0.00 -1.43 0.66 119.26 120.86 3cio h ALA 658 Ca 0.37 -0.56 -0.23 0.00 0.00 0.00 0.00 54.91 54.49 3cio h ALA 658 Cb 0.47 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 3cio h ALA 658 CO -0.14 0.77 -1.05 -0.24 0.00 0.00 0.00 179.25 178.58 3cio h VAL 659 N 0.00 1.51 0.07 0.00 3.04 -0.87 -3.27 116.25 116.74 3cio h VAL 659 Ca -0.01 -2.88 -0.29 0.00 -1.01 0.00 0.00 66.70 62.52 3cio h VAL 659 Cb 1.30 2.70 -0.02 0.00 -2.01 0.00 0.00 31.29 33.26 3cio h VAL 659 CO 0.08 0.84 -1.52 0.58 -1.01 0.00 0.00 177.57 176.54 3cio h VAL 660 N 0.10 1.13 0.00 1.51 2.07 -1.22 -3.32 116.25 116.53 3cio h VAL 660 Ca -0.08 -2.84 0.00 0.00 0.82 0.00 0.00 66.70 64.60 3cio h VAL 660 Cb 1.74 2.67 0.00 0.00 -1.52 0.00 0.00 31.29 34.18 3cio h VAL 660 CO 0.17 0.77 0.14 1.23 0.02 0.00 0.00 177.57 179.89 3cio h GLY 661 N 2.28 0.00 -0.21 2.17 0.00 0.29 -1.82 103.07 105.78 3cio h GLY 661 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.10 3cio h GLY 661 CO 0.13 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.21 3cio n ARG 662 N -2.46 1.11 0.00 4.80 1.74 -1.23 -3.16 116.66 117.46 3cio n ARG 662 Ca -0.02 -0.17 0.00 0.00 -0.77 0.00 0.00 57.85 56.90 3cio n ARG 662 Cb 0.18 -1.05 0.00 0.00 -1.02 0.00 0.00 32.46 30.56 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 -0.35 0.15 -4.90 0.55 7.64 -0.69 -5.06 113.62 110.96 3cio n SER 663 Ca 0.02 -0.75 -0.30 0.00 1.01 0.00 0.00 58.87 58.85 3cio n SER 663 Cb 0.05 0.06 -0.04 0.00 -1.01 0.00 0.00 64.21 63.27 3cio n SER 663 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3cio s VAL 664 N -0.06 5.04 -0.15 0.44 0.11 -1.19 -4.93 120.40 119.66 3cio s VAL 664 Ca 0.00 0.14 0.21 0.00 -2.93 0.00 0.00 61.98 59.40 3cio s VAL 664 Cb 0.00 -3.68 -0.14 0.00 -1.53 0.00 0.00 36.38 31.03 3cio s VAL 664 CO 0.00 -0.17 0.79 0.61 -3.33 0.00 0.00 175.10 173.00 3cio n GLY 665 N -0.50 -1.26 2.99 6.54 0.00 -0.97 -4.80 105.19 107.18 3cio n GLY 665 Ca -0.01 -0.31 -0.09 0.00 0.00 0.00 0.00 46.02 45.61 3cio n GLY 665 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3cio s THR 666 N -3.30 0.12 0.01 2.61 2.01 -0.97 -4.85 115.64 111.27 3cio s THR 666 Ca -0.04 -0.97 0.00 0.00 0.31 0.00 0.00 61.69 60.99 3cio s THR 666 Cb 0.11 -0.35 -0.01 0.00 0.01 0.00 0.00 72.50 72.25 3cio s THR 666 CO 0.83 -0.54 -0.02 -0.44 -0.69 0.00 0.00 174.62 173.76 3cio s SER 667 N -1.56 0.24 0.02 3.53 0.01 -0.26 -1.52 113.70 114.16 3cio s SER 667 Ca -0.14 -0.25 0.02 0.00 1.31 0.00 0.00 55.95 56.89 3cio s SER 667 Cb -0.09 0.03 -0.01 0.00 0.21 0.00 0.00 66.02 66.16 3cio s SER 667 CO -0.02 -0.12 -0.08 -0.76 0.41 0.00 0.00 173.24 172.67 3cio s LEU 668 N -0.71 2.12 -0.17 2.44 1.43 -0.20 -1.89 118.68 121.70 3cio s LEU 668 Ca -0.07 -0.32 -0.01 0.00 -1.03 0.00 0.00 54.13 52.70 3cio s LEU 668 Cb -0.05 -0.30 -0.01 0.00 0.03 0.00 0.00 46.19 45.87 3cio s LEU 668 CO -0.00 -0.03 -0.11 -0.22 0.23 0.00 0.00 176.35 176.22 3cio s LEU 669 N -0.80 2.70 -0.29 1.79 2.96 -0.85 -1.71 118.68 122.49 3cio s LEU 669 Ca -0.02 -0.39 -0.10 0.00 -0.22 0.00 0.00 54.13 53.39 3cio s LEU 669 Cb -0.06 -1.64 -0.03 0.00 0.50 0.00 0.00 46.19 44.96 3cio s LEU 669 CO 0.00 0.08 0.16 0.54 -1.32 0.00 0.00 176.35 175.81 3cio s VAL 670 N 0.88 4.90 -0.05 1.68 0.11 0.26 0.39 120.40 128.58 3cio s VAL 670 Ca -0.03 -0.12 -0.02 0.00 -2.93 0.00 0.00 61.98 58.88 3cio s VAL 670 Cb -0.15 -3.40 -0.04 0.00 -1.53 0.00 0.00 36.38 31.26 3cio s VAL 670 CO -0.00 0.18 0.07 0.00 -3.33 0.00 0.00 175.10 172.01 3cio s ALA 671 N 1.68 3.54 0.02 1.54 0.00 0.25 -3.36 121.76 125.44 3cio s ALA 671 Ca 0.06 -0.80 -0.12 0.00 0.00 0.00 0.00 51.96 51.09 3cio s ALA 671 Cb -0.16 -1.62 -0.06 0.00 0.00 0.00 0.00 23.12 21.28 3cio s ALA 671 CO 0.08 0.64 0.39 0.50 0.00 0.00 0.00 175.76 177.37 3cio s ARG 672 N -1.31 3.83 -0.03 0.00 3.52 -1.26 -1.35 118.95 122.35 3cio s ARG 672 Ca 0.18 0.29 -0.30 0.00 -0.13 0.00 0.00 55.73 55.77 3cio s ARG 672 Cb -0.12 -3.13 -0.08 0.00 -1.56 0.00 0.00 34.95 30.06 3cio s ARG 672 CO 0.08 0.65 2.02 0.34 -0.81 0.00 0.00 175.30 177.58 3cio n PHE 673 N 1.48 2.39 0.00 5.12 -0.00 0.76 -2.54 117.46 124.66 3cio n PHE 673 Ca -0.12 -0.30 0.00 0.00 -0.00 0.00 0.00 57.45 57.03 3cio n PHE 673 Cb 0.52 -2.78 0.00 0.00 -0.00 0.00 0.00 39.48 37.23 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 4.81 2.68 0.13 7.13 0.00 -0.69 -4.76 105.19 114.48 3cio n GLY 674 Ca 0.22 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.05 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 0.45-10.56 0.99 7.12 -1.83 -3.36 115.31 108.12 3cio h LEU 675 Ca 0.00 -0.74 -0.45 0.00 0.13 0.00 0.00 57.88 56.83 3cio h LEU 675 Cb 0.00 -0.15 0.07 0.00 -0.53 0.00 0.00 40.66 40.05 3cio h LEU 675 CO 0.00 1.63 0.10 0.20 -0.13 0.00 0.00 178.44 180.24 3cio s ASN 676 N -7.04 4.92 0.02 1.25 -0.87 -1.05 -4.83 114.94 107.33 3cio s ASN 676 Ca -0.14 0.15 0.04 0.00 -1.57 0.00 0.00 52.86 51.33 3cio s ASN 676 Cb 0.06 -0.85 -0.02 0.00 -0.02 0.00 0.00 41.25 40.42 3cio s ASN 676 CO 0.83 -1.45 -0.12 0.42 -2.57 0.00 0.00 177.10 174.21 3cio s THR 677 N -3.03 0.92 -0.66 1.60 -4.23 -1.26 -1.76 115.64 107.21 3cio s THR 677 Ca 0.60 -0.76 0.01 0.00 -1.18 0.00 0.00 61.69 60.36 3cio s THR 677 Cb -0.10 -0.82 0.01 0.00 1.34 0.00 0.00 72.50 72.93 3cio s THR 677 CO 0.42 0.06 0.88 0.00 -0.54 0.00 0.00 174.62 175.44 3cio n ALA 678 N 2.26 0.70 -0.27 3.99 0.00 -1.26 -2.50 120.51 123.44 3cio n ALA 678 Ca -0.17 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.28 3cio n ALA 678 Cb 0.55 -0.71 0.00 0.00 0.00 0.00 0.00 19.45 19.29 3cio n ALA 678 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3cio n LYS 679 N -1.39 0.00 -0.30 0.00 4.81 -1.26 -3.50 118.16 116.51 3cio n LYS 679 Ca -0.00 0.37 0.33 0.00 -0.87 0.00 0.00 58.31 58.13 3cio n LYS 679 Cb 0.15 -0.93 0.72 0.00 0.02 0.00 0.00 35.03 34.99 3cio n LYS 679 CO 0.00 0.00 0.00 1.05 1.17 0.00 0.00 177.40 179.62 3cio h GLU 680 N 0.00 0.05 0.61 1.64 4.11 -1.91 -1.74 114.58 117.34 3cio h GLU 680 Ca 0.00 -0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.40 3cio h GLU 680 Cb 0.00 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.24 3cio h GLU 680 CO 0.00 0.03 -0.29 -0.24 0.07 0.00 0.00 179.01 178.58 3cio h VAL 681 N 0.05 0.21 0.00 -1.06 3.04 -1.68 -1.49 116.25 115.33 3cio h VAL 681 Ca 0.55 -0.34 0.00 0.00 -1.01 0.00 0.00 66.70 65.90 3cio h VAL 681 Cb 2.10 0.28 0.00 0.00 -2.01 0.00 0.00 31.29 31.66 3cio h VAL 681 CO -0.05 0.03 0.00 -1.54 -1.01 0.00 0.00 177.57 175.00 3cio n SER 682 N -5.35 0.62 0.09 3.17 3.41 -0.77 -0.60 113.62 114.19 3cio n SER 682 Ca -0.11 0.74 -0.14 0.00 -0.26 0.00 0.00 58.87 59.10 3cio n SER 682 Cb 0.35 -0.84 -0.14 0.00 -0.26 0.00 0.00 64.21 63.32 3cio n SER 682 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3cio h LEU 683 N 0.00 0.33 -0.04 1.04 3.38 -1.08 -2.17 115.31 116.76 3cio h LEU 683 Ca 0.00 -0.36 -0.08 0.00 0.09 0.00 0.00 57.88 57.53 3cio h LEU 683 Cb 0.12 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3cio h LEU 683 CO 0.00 1.28 -0.29 0.28 0.09 0.00 0.00 178.44 179.80 3cio h SER 684 N 0.06 0.33 -0.42 -0.43 0.02 0.23 -2.08 113.55 111.25 3cio h SER 684 Ca -0.11 -0.68 -0.01 0.00 -0.84 0.00 0.00 61.79 60.15 3cio h SER 684 Cb 1.93 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 64.35 3cio h SER 684 CO 0.18 0.96 0.25 0.24 -1.14 0.00 0.00 176.83 177.32 3cio h MET 685 N -0.27 0.61 0.00 3.45 2.86 -1.33 -1.24 114.93 119.01 3cio h MET 685 Ca -0.02 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.56 3cio h MET 685 Cb 0.97 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.50 3cio h MET 685 CO 0.06 0.45 -0.00 0.37 1.06 0.00 0.00 176.91 178.85 3cio h GLN 686 N 0.62 -0.01 0.00 1.72 4.15 -1.34 -1.38 115.11 118.87 3cio h GLN 686 Ca 0.16 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.58 3cio h GLN 686 Cb 0.02 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.71 3cio h GLN 686 CO -0.03 0.35 0.00 0.00 -1.93 0.00 0.00 178.83 177.23 3cio h ARG 687 N -0.37 0.00 0.00 1.69 3.08 -0.99 0.52 114.38 118.31 3cio h ARG 687 Ca -0.00 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.85 3cio h ARG 687 Cb 0.36 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.38 3cio h ARG 687 CO 0.00 0.00 -1.01 -0.07 -1.07 0.00 0.00 179.97 177.82 3cio h LEU 688 N 0.00 0.00 0.06 3.04 3.38 -1.07 -3.19 115.31 117.53 3cio h LEU 688 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3cio h LEU 688 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3cio h LEU 688 CO 0.00 0.86 -0.03 -0.08 0.09 0.00 0.00 178.44 179.28 3cio h GLU 689 N 0.00 -0.08 -0.77 1.13 4.57 0.22 -1.58 114.58 118.08 3cio h GLU 689 Ca -0.06 0.01 0.17 0.00 -1.18 0.00 0.00 59.36 58.30 3cio h GLU 689 Cb 1.70 0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 30.26 3cio h GLU 689 CO 0.10 0.18 0.52 1.96 -1.18 0.00 0.00 179.01 180.59 3cio h GLN 690 N -0.33 0.33 -0.01 1.92 7.50 -1.37 0.22 115.11 123.38 3cio h GLN 690 Ca -0.01 -0.02 0.00 0.00 0.50 0.00 0.00 58.65 59.12 3cio h GLN 690 Cb 0.29 -0.07 0.00 0.00 0.05 0.00 0.00 27.48 27.75 3cio h GLN 690 CO 0.01 0.22 -0.06 0.00 -1.50 0.00 0.00 178.83 177.50 3cio n ALA 691 N -2.55 2.71 -2.36 3.87 0.00 -1.07 -4.94 120.51 116.17 3cio n ALA 691 Ca 0.15 -0.30 -0.06 0.00 0.00 0.00 0.00 53.44 53.24 3cio n ALA 691 Cb 0.60 -1.33 0.03 0.00 0.00 0.00 0.00 19.45 18.75 3cio n ALA 691 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cio n GLY 692 N 1.19 0.16 3.06 0.00 0.00 0.79 -4.89 105.19 105.50 3cio n GLY 692 Ca 0.18 -0.15 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 3cio n GLY 692 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3cio s VAL 693 N -3.13 1.71 -0.85 1.61 1.01 -0.62 -4.73 120.40 115.39 3cio s VAL 693 Ca 0.07 -0.73 -0.26 0.00 0.00 0.00 0.00 61.98 61.06 3cio s VAL 693 Cb -0.01 -1.57 -0.16 0.00 0.00 0.00 0.00 36.38 34.63 3cio s VAL 693 CO 0.26 0.48 2.35 0.59 0.00 0.00 0.00 175.10 178.78 3cio n ASN 694 N 4.63 1.64 -4.38 3.32 5.03 -1.26 -4.49 115.26 119.74 3cio n ASN 694 Ca -0.18 -1.67 -0.45 0.00 0.87 0.00 0.00 54.58 53.14 3cio n ASN 694 Cb 0.50 -1.66 -0.02 0.00 -1.02 0.00 0.00 39.78 37.59 3cio n ASN 694 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3cio s ILE 695 N 15.07 5.32 0.57 2.41 1.09 -1.26 -1.10 121.20 143.29 3cio s ILE 695 Ca 0.91 -2.32 0.27 0.00 -1.10 0.00 0.00 60.65 58.41 3cio s ILE 695 Cb -0.13 -4.63 0.33 0.00 -1.06 0.00 0.00 42.46 36.97 3cio s ILE 695 CO 0.11 -1.27 2.23 0.11 -0.10 0.00 0.00 174.94 176.02 3cio h LYS 696 N 7.92 0.00 0.00 2.79 6.56 -1.72 -3.48 116.57 128.64 3cio h LYS 696 Ca 0.15 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.74 3cio h LYS 696 Cb 1.00 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.66 3cio h LYS 696 CO 0.95 0.01 0.00 0.41 -2.06 0.00 0.00 179.45 178.76 3cio n GLY 697 N -1.34 -0.69 3.25 3.86 0.00 -1.24 -4.60 105.19 104.43 3cio n GLY 697 Ca -0.03 -0.47 -0.10 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.00 0.63 -0.07 4.61 0.00 0.11 -2.00 121.76 124.05 3cio s ALA 698 Ca 0.00 -1.34 0.01 0.00 0.00 0.00 0.00 51.96 50.63 3cio s ALA 698 Cb 0.00 1.04 0.02 0.00 0.00 0.00 0.00 23.12 24.18 3cio s ALA 698 CO 0.00 -0.59 -0.06 0.42 0.00 0.00 0.00 175.76 175.52 3cio s ILE 699 N -4.06 0.76 -0.47 0.00 1.01 0.16 -1.36 121.20 117.24 3cio s ILE 699 Ca 0.27 -0.21 -0.20 0.00 0.00 0.00 0.00 60.65 60.50 3cio s ILE 699 Cb 0.06 -0.77 0.04 0.00 0.01 0.00 0.00 42.46 41.79 3cio s ILE 699 CO 0.05 0.29 0.66 -0.22 0.00 0.00 0.00 174.94 175.72 3cio s LEU 700 N 1.16 4.64 0.15 2.97 2.96 -0.57 -0.58 118.68 129.42 3cio s LEU 700 Ca -0.06 -0.57 0.07 0.00 -0.22 0.00 0.00 54.13 53.35 3cio s LEU 700 Cb -0.14 -2.62 -0.04 0.00 0.50 0.00 0.00 46.19 43.89 3cio s LEU 700 CO -0.01 -0.86 -0.02 0.21 -1.32 0.00 0.00 176.35 174.34 3cio s ASN 701 N 2.34 4.74 0.00 3.68 2.47 -0.46 0.57 114.94 128.28 3cio s ASN 701 Ca 0.20 -0.37 0.00 0.00 0.42 0.00 0.00 52.86 53.12 3cio s ASN 701 Cb -0.16 -1.01 0.00 0.00 -1.45 0.00 0.00 41.25 38.63 3cio s ASN 701 CO 0.16 0.12 0.00 0.61 -3.72 0.00 0.00 177.10 174.27 3cio n GLY 702 N 0.12 3.11 0.96 1.21 0.00 -0.31 -0.17 105.19 110.11 3cio n GLY 702 Ca -0.10 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.68 0.00 -3.92 1.61 0.31 -1.11 -2.90 118.33 111.65 3cio n VAL 703 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 64.02 3cio n VAL 703 Cb 0.00 -0.14 -0.13 0.00 -0.91 0.00 0.00 33.84 32.65 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 1.45 2.74 0.79 2.52 1.10 -1.26 0.26 121.20 128.80 3cio s ILE 704 Ca 0.33 -3.18 -0.13 0.00 -0.51 0.00 0.00 60.65 57.15 3cio s ILE 704 Cb -0.42 -2.89 0.20 0.00 0.15 0.00 0.00 42.46 39.50 3cio s ILE 704 CO 0.20 -0.79 0.56 1.17 -2.11 0.00 0.00 174.94 173.96 3cio n LYS 705 N 3.26 -3.08 -4.20 3.50 0.00 -1.26 -4.15 118.16 112.24 3cio n LYS 705 Ca 0.05 -0.92 -0.35 0.00 0.00 0.00 0.00 58.31 57.10 3cio n LYS 705 Cb 0.34 -1.03 -0.03 0.00 0.00 0.00 0.00 35.03 34.30 3cio n LYS 705 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.40 180.29 3cio n ARG 706 N -3.89 -3.01 -1.36 1.64 1.85 -1.26 -4.92 116.66 105.72 3cio n ARG 706 Ca 0.08 0.36 0.00 0.00 -1.00 0.00 0.00 57.85 57.29 3cio n ARG 706 Cb 0.34 -4.93 0.00 0.00 -1.05 0.00 0.00 32.46 26.83 3cio n ARG 706 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3cio n ALA 707 N -4.39 0.00 -2.81 2.89 0.00 -1.26 -5.18 120.51 109.76 3cio n ALA 707 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3cio n ALA 707 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 3cio n ALA 707 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3cio n SER 708 N -1.84 0.00 -3.60 0.00 7.64 -1.26 -5.18 113.62 109.38 3cio n SER 708 Ca 0.00 0.00 -0.07 0.00 1.01 0.00 0.00 58.87 59.81 3cio n SER 708 Cb 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.18 3cio n SER 708 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 3cio s THR 709 N 3.68 0.00 -0.06 0.44 -1.32 -1.26 -5.09 115.64 112.03 3cio s THR 709 Ca 0.00 -0.27 0.02 0.00 -1.21 0.00 0.00 61.69 60.24 3cio s THR 709 Cb 0.00 -1.40 0.08 0.00 -1.51 0.00 0.00 72.50 69.67 3cio s THR 709 CO 0.00 0.00 0.73 0.00 -2.21 0.00 0.00 174.62 173.14 3cio n ALA 710 N -0.34 1.19 -2.66 11.08 0.00 -1.26 -5.16 120.51 123.36 3cio n ALA 710 Ca -0.08 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 52.92 3cio n ALA 710 Cb 0.62 -0.42 0.00 0.00 0.00 0.00 0.00 19.45 19.64 3cio n ALA 710 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3cio n TYR 711 N -0.29 0.00 0.00 0.00 4.01 -1.26 -5.18 117.16 114.44 3cio n TYR 711 Ca -0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.60 3cio n TYR 711 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.60 3cio n TYR 711 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3cio n SER 712 N 0.00 0.00 0.00 7.72 2.88 -1.26 -5.19 113.62 117.77 3cio n SER 712 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 3cio n SER 712 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 3cio n SER 712 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3cio n TYR 713 N -0.22 0.00 -3.76 0.66 9.36 -1.26 -5.12 117.16 116.82 3cio n TYR 713 Ca 0.00 0.00 -0.02 0.00 3.32 0.00 0.00 57.90 61.20 3cio n TYR 713 Cb 0.00 0.00 -0.00 0.00 -0.63 0.00 0.00 39.34 38.71 3cio n TYR 713 CO 0.00 0.00 0.00 0.20 0.22 0.00 0.00 176.86 177.28 3cio s GLY 714 N 0.00 -0.20 0.00 2.98 0.00 -1.26 -4.47 107.32 104.37 3cio s GLY 714 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 44.72 44.90 3cio s GLY 714 CO 0.00 0.85 0.00 2.98 0.00 0.00 0.00 173.10 176.93