#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ony s ASP 515 N 0.00 6.44 -0.15 3.54 -1.08 -1.26 -5.01 116.67 119.15 2ony s ASP 515 Ca 0.00 0.49 0.05 0.00 -0.52 0.00 0.00 52.55 52.57 2ony s ASP 515 Cb 0.00 -2.07 -0.13 0.00 -1.46 0.00 0.00 42.92 39.26 2ony s ASP 515 CO 0.00 0.32 -0.07 -1.54 0.52 0.00 0.00 175.17 174.40 2ony n SER 516 N 1.42 2.35 -0.23 -0.34 3.41 -1.26 -4.72 113.62 114.25 2ony n SER 516 Ca -0.14 -0.05 -0.03 0.00 -0.26 0.00 0.00 58.87 58.38 2ony n SER 516 Cb 0.53 0.19 0.03 0.00 -0.26 0.00 0.00 64.21 64.70 2ony n SER 516 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ony h ALA 517 N 0.26 0.10 -0.25 7.33 0.00 -1.99 -2.38 119.26 122.34 2ony h ALA 517 Ca -0.36 0.20 0.05 0.00 0.00 0.00 0.00 54.91 54.81 2ony h ALA 517 Cb 1.66 0.75 -0.08 0.00 0.00 0.00 0.00 17.79 20.13 2ony h ALA 517 CO -0.03 -0.61 -0.41 -1.35 0.00 0.00 0.00 179.25 176.85 2ony h PRO 518 N -0.11 -0.40 -0.43 0.00 0.11 -2.00 0.13 132.00 129.30 2ony h PRO 518 Ca 0.27 0.03 0.03 0.00 0.11 0.00 0.00 66.00 66.43 2ony h PRO 518 Cb 0.55 0.09 -0.03 0.00 0.11 0.00 0.00 31.00 31.72 2ony h PRO 518 CO -0.73 -0.27 0.24 0.78 -0.21 0.00 0.00 178.00 177.82 2ony h GLY 519 N -0.41 0.60 0.59 -0.55 0.00 -1.80 -2.62 103.07 98.87 2ony h GLY 519 Ca 0.10 -0.17 0.03 0.00 0.00 0.00 0.00 47.33 47.29 2ony h GLY 519 CO -0.47 0.14 -0.14 1.46 0.00 0.00 0.00 176.54 177.53 2ony h GLN 520 N 0.48 -0.21 -0.82 4.80 4.20 -0.91 -2.04 115.11 120.61 2ony h GLN 520 Ca 0.18 0.01 0.17 0.00 0.06 0.00 0.00 58.65 59.08 2ony h GLN 520 Cb 0.05 0.05 -0.06 0.00 0.30 0.00 0.00 27.48 27.82 2ony h GLN 520 CO -0.10 -0.14 0.54 0.00 -0.67 0.00 0.00 178.83 178.46 2ony h ALA 521 N 0.77 2.17 -0.22 3.87 0.00 -0.50 0.16 119.26 125.51 2ony h ALA 521 Ca 0.06 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 2ony h ALA 521 Cb 0.31 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2ony h ALA 521 CO -0.17 -0.40 0.07 0.00 0.00 0.00 0.00 179.25 178.74 2ony h ALA 522 N 1.63 0.28 0.68 0.00 0.00 -1.02 -0.63 119.26 120.20 2ony h ALA 522 Ca 0.41 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 2ony h ALA 522 Cb 0.99 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 2ony h ALA 522 CO -0.14 -0.09 -0.50 0.28 0.00 0.00 0.00 179.25 178.81 2ony h VAL 523 N 0.18 0.00 -0.46 0.00 2.07 -0.30 0.15 116.25 117.88 2ony h VAL 523 Ca 0.07 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.68 2ony h VAL 523 Cb 0.24 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 29.91 2ony h VAL 523 CO -0.00 0.00 -0.17 0.00 0.02 0.00 0.00 177.57 177.42 2ony h ALA 524 N -1.08 0.20 -0.01 1.67 0.00 -1.06 0.61 119.26 119.59 2ony h ALA 524 Ca -0.09 0.17 0.03 0.00 0.00 0.00 0.00 54.91 55.02 2ony h ALA 524 Cb 0.93 0.45 -0.04 0.00 0.00 0.00 0.00 17.79 19.13 2ony h ALA 524 CO 0.04 -0.51 -0.19 1.03 0.00 0.00 0.00 179.25 179.62 2ony h SER 525 N -0.07 -0.57 -0.89 0.00 0.87 -0.92 -2.21 113.55 109.77 2ony h SER 525 Ca 0.22 0.08 0.12 0.00 -1.23 0.00 0.00 61.79 60.98 2ony h SER 525 Cb 0.41 0.24 -0.08 0.00 -0.44 0.00 0.00 62.40 62.52 2ony h SER 525 CO -0.51 -0.26 0.51 0.00 -0.53 0.00 0.00 176.83 176.05 2ony h ALA 526 N 0.61 1.31 0.00 6.23 0.00 0.36 -1.24 119.26 126.53 2ony h ALA 526 Ca 0.06 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2ony h ALA 526 Cb 0.39 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2ony h ALA 526 CO -0.19 0.08 0.00 0.66 0.00 0.00 0.00 179.25 179.80 2ony n TYR 527 N -4.74 0.00 0.92 0.00 4.02 0.11 -2.36 117.16 115.10 2ony n TYR 527 Ca 0.16 0.00 0.13 0.00 -0.01 0.00 0.00 57.90 58.19 2ony n TYR 527 Cb 0.35 0.00 0.57 0.00 -0.02 0.00 0.00 39.34 40.24 2ony n TYR 527 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 2ony n GLN 528 N -0.98 0.04 -0.12 -0.72 1.13 -0.47 -3.23 117.38 113.03 2ony n GLN 528 Ca 0.18 0.05 0.06 0.00 -1.94 0.00 0.00 57.00 55.35 2ony n GLN 528 Cb 0.08 -1.54 0.12 0.00 0.11 0.00 0.00 30.24 29.01 2ony n GLN 528 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2ony n ARG 529 N -1.61 1.98 -1.82 -1.09 1.74 -0.99 -5.00 116.66 109.86 2ony n ARG 529 Ca 0.07 -1.76 -0.42 0.00 -0.77 0.00 0.00 57.85 54.96 2ony n ARG 529 Cb 0.34 -1.28 -0.03 0.00 -1.02 0.00 0.00 32.46 30.47 2ony n ARG 529 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 2ony s PHE 530 N -1.02 2.68 -0.42 -1.55 5.36 -1.20 -3.91 117.98 117.91 2ony s PHE 530 Ca 0.22 0.33 -0.04 0.00 -0.96 0.00 0.00 56.93 56.48 2ony s PHE 530 Cb 0.12 -4.05 0.11 0.00 -0.34 0.00 0.00 43.02 38.86 2ony s PHE 530 CO 0.17 -4.10 0.23 -1.21 -1.46 0.00 0.00 175.22 168.85 2ony s GLU 531 N 1.82 2.13 0.19 10.12 2.02 -0.01 -5.02 118.70 129.96 2ony s GLU 531 Ca 0.75 -1.78 -0.24 0.00 0.02 0.00 0.00 54.97 53.72 2ony s GLU 531 Cb -0.45 -3.64 0.09 0.00 0.10 0.00 0.00 34.13 30.23 2ony s GLU 531 CO 0.33 -1.08 1.55 -1.35 0.02 0.00 0.00 175.26 174.73 2ony h PRO 532 N 8.14 -0.04 -0.69 0.39 0.11 -1.91 0.15 132.00 138.14 2ony h PRO 532 Ca -0.15 0.00 0.06 0.00 0.11 0.00 0.00 66.00 66.02 2ony h PRO 532 Cb 1.05 0.01 -0.06 0.00 0.11 0.00 0.00 31.00 32.12 2ony h PRO 532 CO 0.73 -0.03 0.39 0.00 -0.21 0.00 0.00 178.00 178.88 2ony h ARG 533 N -0.05 0.70 -0.58 1.05 2.47 -1.96 0.33 114.38 116.35 2ony h ARG 533 Ca 0.25 -0.04 -0.09 0.00 -1.26 0.00 0.00 59.98 58.84 2ony h ARG 533 Cb 0.53 -0.16 -0.02 0.00 -1.65 0.00 0.00 29.97 28.67 2ony h ARG 533 CO -0.91 0.46 0.01 0.00 0.56 0.00 0.00 179.97 180.09 2ony h ALA 534 N 1.36 0.91 -0.13 0.04 0.00 -1.48 -0.80 119.26 119.16 2ony h ALA 534 Ca 0.31 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2ony h ALA 534 Cb 0.19 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2ony h ALA 534 CO -0.18 0.65 0.07 -0.92 0.00 0.00 0.00 179.25 178.87 2ony h TYR 535 N 0.93 0.17 -0.91 0.00 3.20 0.44 -0.17 116.97 120.62 2ony h TYR 535 Ca 0.17 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.04 2ony h TYR 535 Cb 0.53 -0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.70 2ony h TYR 535 CO 0.04 0.17 0.58 -0.07 -1.64 0.00 0.00 178.16 177.24 2ony h LEU 536 N 0.12 1.07 -0.33 2.82 3.38 -0.13 -1.35 115.31 120.89 2ony h LEU 536 Ca 0.04 -0.05 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 2ony h LEU 536 Cb 0.06 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.54 2ony h LEU 536 CO -0.01 0.80 -0.36 -0.09 0.09 0.00 0.00 178.44 178.87 2ony h ARG 537 N 1.25 0.82 -0.31 1.13 2.43 -0.96 0.83 114.38 119.57 2ony h ARG 537 Ca 0.33 -0.44 -0.12 0.00 -0.81 0.00 0.00 59.98 58.94 2ony h ARG 537 Cb -0.10 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 2ony h ARG 537 CO -0.07 1.08 -0.30 -0.91 -1.51 0.00 0.00 179.97 178.26 2ony h ASN 538 N 0.59 0.68 0.00 -3.80 2.35 -0.71 -3.30 115.58 111.40 2ony h ASN 538 Ca 0.05 -0.27 -0.24 0.00 -0.55 0.00 0.00 56.30 55.29 2ony h ASN 538 Cb 0.94 -0.19 -0.05 0.00 0.05 0.00 0.00 38.32 39.08 2ony h ASN 538 CO 0.09 0.94 -1.91 0.59 -1.65 0.00 0.00 177.43 175.49 2ony n ASN 539 N -4.08 1.81 -0.36 5.81 3.02 -0.54 -4.77 115.26 116.15 2ony n ASN 539 Ca -0.01 -0.01 0.04 0.00 -0.03 0.00 0.00 54.58 54.57 2ony n ASN 539 Cb 0.46 0.75 0.07 0.00 -0.61 0.00 0.00 39.78 40.45 2ony n ASN 539 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2ony n TYR 540 N -2.53 0.18 -3.84 3.10 4.02 0.27 -3.94 117.16 114.43 2ony n TYR 540 Ca -0.22 -0.31 -0.21 0.00 -0.01 0.00 0.00 57.90 57.14 2ony n TYR 540 Cb 0.92 -0.02 -0.04 0.00 -0.02 0.00 0.00 39.34 40.18 2ony n TYR 540 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2ony s ALA 541 N -0.85 3.80 0.64 -0.72 0.00 -1.11 -4.15 121.76 119.38 2ony s ALA 541 Ca 0.12 -1.71 -0.17 0.00 0.00 0.00 0.00 51.96 50.19 2ony s ALA 541 Cb 0.07 -1.07 -0.04 0.00 0.00 0.00 0.00 23.12 22.08 2ony s ALA 541 CO 0.10 -0.02 0.89 -2.30 0.00 0.00 0.00 175.76 174.43 2ony n PRO 542 N -1.35 0.71 0.08 0.00 -0.02 -1.26 0.12 135.00 133.28 2ony n PRO 542 Ca -0.01 0.29 -0.09 0.00 -2.02 0.00 0.00 63.50 61.67 2ony n PRO 542 Cb 0.60 -2.12 -0.06 0.00 -0.02 0.00 0.00 33.50 31.90 2ony n PRO 542 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2ony h PRO 543 N 0.20 0.11 0.00 0.52 0.11 -1.92 -3.43 132.00 127.59 2ony h PRO 543 Ca -0.48 -0.15 -0.01 0.00 0.11 0.00 0.00 66.00 65.48 2ony h PRO 543 Cb 1.36 0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.52 2ony h PRO 543 CO 0.49 0.99 -0.05 0.00 -0.21 0.00 0.00 178.00 179.22 2ony h ARG 544 N 0.04 0.00 -0.43 1.05 3.08 -1.81 -2.29 114.38 114.03 2ony h ARG 544 Ca -0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.01 2ony h ARG 544 Cb 1.67 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.72 2ony h ARG 544 CO 0.14 0.05 0.00 0.41 -1.07 0.00 0.00 179.97 179.50 2ony n GLY 545 N -0.48 1.27 3.65 0.04 0.00 0.12 -4.14 105.19 105.65 2ony n GLY 545 Ca -0.01 -0.57 -0.42 0.00 0.00 0.00 0.00 46.02 45.02 2ony n GLY 545 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2ony s ASP 546 N -1.18 6.96 0.00 1.61 2.15 -0.86 -4.54 116.67 120.80 2ony s ASP 546 Ca 0.35 1.19 0.22 0.00 0.43 0.00 0.00 52.55 54.74 2ony s ASP 546 Cb 0.19 -2.48 0.45 0.00 -0.30 0.00 0.00 42.92 40.77 2ony s ASP 546 CO 0.25 -0.58 1.40 0.18 -0.17 0.00 0.00 175.17 176.26 2ony n LEU 547 N 6.10 3.49 0.10 -1.34 4.77 -1.26 -4.44 117.00 124.41 2ony n LEU 547 Ca 0.08 -1.61 -0.16 0.00 -0.03 0.00 0.00 56.01 54.30 2ony n LEU 547 Cb 0.47 -0.29 -0.11 0.00 -2.33 0.00 0.00 43.42 41.16 2ony n LEU 547 CO 0.49 0.78 0.02 0.00 -1.33 0.00 0.00 177.39 177.35 2ony s ASN 549 N -7.15 7.00 0.56 0.00 3.84 -1.26 -4.92 114.94 113.01 2ony s ASN 549 Ca -0.05 1.24 0.28 0.00 0.21 0.00 0.00 52.86 54.54 2ony s ASN 549 Cb 0.07 -2.48 1.64 0.00 -0.55 0.00 0.00 41.25 39.93 2ony s ASN 549 CO 0.88 -0.46 2.18 -0.65 -2.79 0.00 0.00 177.10 176.26 2ony h PRO 550 N 7.36 0.00 -0.06 0.43 0.11 -1.95 -2.33 132.00 135.56 2ony h PRO 550 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 2ony h PRO 550 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2ony h PRO 550 CO 0.87 0.05 0.00 0.09 -0.21 0.00 0.00 178.00 178.80 2ony n ASN 551 N -3.84 1.49 -4.79 -2.05 3.02 -1.26 -4.50 115.26 103.34 2ony n ASN 551 Ca -0.03 -1.55 -0.31 0.00 -0.03 0.00 0.00 54.58 52.67 2ony n ASN 551 Cb 0.14 -0.04 0.08 0.00 -0.61 0.00 0.00 39.78 39.36 2ony n ASN 551 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2ony s GLY 552 N -1.85 1.65 0.22 7.41 0.00 -0.88 -4.92 107.32 108.95 2ony s GLY 552 Ca 0.36 0.04 -0.07 0.00 0.00 0.00 0.00 44.72 45.06 2ony s GLY 552 CO 0.31 0.41 1.73 -0.24 0.00 0.00 0.00 173.10 175.31 2ony h VAL 553 N -1.00 1.26 0.34 1.40 3.04 -1.89 -2.71 116.25 116.69 2ony h VAL 553 Ca -0.45 -0.98 -0.00 0.00 -1.01 0.00 0.00 66.70 64.25 2ony h VAL 553 Cb 1.24 0.62 -0.03 0.00 -2.01 0.00 0.00 31.29 31.11 2ony h VAL 553 CO 0.56 0.37 -0.43 1.23 -1.01 0.00 0.00 177.57 178.29 2ony h GLY 554 N 1.05 -0.99 0.70 3.17 0.00 -1.83 -1.23 103.07 103.94 2ony h GLY 554 Ca 0.20 0.50 0.07 0.00 0.00 0.00 0.00 47.33 48.10 2ony h GLY 554 CO 0.01 -0.32 0.59 -2.55 0.00 0.00 0.00 176.54 174.27 2ony h PRO 555 N -0.81 1.03 -0.03 4.80 0.11 -1.82 -2.45 132.00 132.83 2ony h PRO 555 Ca -0.02 -0.06 0.02 0.00 0.11 0.00 0.00 66.00 66.04 2ony h PRO 555 Cb 0.75 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 31.60 2ony h PRO 555 CO -0.12 0.68 -0.09 2.35 -0.21 0.00 0.00 178.00 180.61 2ony h TRP 556 N 1.06 -0.23 -0.03 0.65 7.01 -1.12 0.19 115.95 123.47 2ony h TRP 556 Ca 0.41 0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.44 2ony h TRP 556 Cb 0.20 0.11 -0.02 0.00 -2.10 0.00 0.00 29.16 27.34 2ony h TRP 556 CO -0.02 -0.14 -0.09 0.87 -2.79 0.00 0.00 178.44 176.27 2ony h LYS 557 N -0.14 -0.14 -0.75 2.65 1.57 -0.99 -0.06 116.57 118.71 2ony h LYS 557 Ca 0.04 0.01 0.06 0.00 -1.87 0.00 0.00 60.65 58.89 2ony h LYS 557 Cb 0.20 0.03 -0.06 0.00 0.08 0.00 0.00 32.23 32.49 2ony h LYS 557 CO -0.11 -0.09 0.44 -0.07 -0.57 0.00 0.00 179.45 179.05 2ony h LEU 558 N -0.14 0.68 -0.58 2.94 3.38 -1.28 -1.46 115.31 118.85 2ony h LEU 558 Ca 0.05 0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.96 2ony h LEU 558 Cb 0.21 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 2ony h LEU 558 CO -0.12 0.44 0.06 -0.09 0.09 0.00 0.00 178.44 178.82 2ony h ARG 559 N 0.81 0.98 -0.44 1.13 2.43 -0.64 -0.15 114.38 118.49 2ony h ARG 559 Ca 0.33 -0.28 0.01 0.00 -0.81 0.00 0.00 59.98 59.23 2ony h ARG 559 Cb 0.17 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.59 2ony h ARG 559 CO -0.17 0.95 0.28 0.00 -1.51 0.00 0.00 179.97 179.51 2ony h LEU 561 N 0.56 0.87 -0.10 0.00 3.38 -1.15 -2.55 115.31 116.32 2ony h LEU 561 Ca 0.17 -0.44 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 2ony h LEU 561 Cb -0.02 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.48 2ony h LEU 561 CO -0.06 1.12 0.02 0.00 0.09 0.00 0.00 178.44 179.61 2ony h ALA 562 N 0.78 0.13 -0.79 1.53 0.00 -0.73 -2.06 119.26 118.10 2ony h ALA 562 Ca 0.07 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2ony h ALA 562 Cb 0.84 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.55 2ony h ALA 562 CO 0.07 -0.23 0.51 1.96 0.00 0.00 0.00 179.25 181.56 2ony h GLN 563 N -0.07 1.05 0.10 0.00 4.20 -0.95 -1.12 115.11 118.33 2ony h GLN 563 Ca 0.03 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.66 2ony h GLN 563 Cb 0.27 -0.23 0.00 0.00 0.30 0.00 0.00 27.48 27.82 2ony h GLN 563 CO 0.00 0.71 -0.05 1.15 -0.67 0.00 0.00 178.83 179.97 2ony h THR 564 N 1.08 1.07 0.00 -0.54 2.02 -1.29 -3.00 112.91 112.25 2ony h THR 564 Ca 0.29 -0.67 -0.04 0.00 0.77 0.00 0.00 66.41 66.76 2ony h THR 564 Cb -0.10 1.50 -0.01 0.00 -1.74 0.00 0.00 68.15 67.80 2ony h THR 564 CO -0.06 0.16 -0.18 -0.26 0.37 0.00 0.00 175.52 175.55 2ony h PHE 565 N -0.45 0.00 0.00 3.16 -1.00 -1.21 -2.51 116.94 114.94 2ony h PHE 565 Ca -0.01 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.73 2ony h PHE 565 Cb 0.37 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.92 2ony h PHE 565 CO 0.03 0.18 -0.19 0.00 -1.61 0.00 0.00 178.31 176.72 2ony h ALA 566 N 1.82 1.23 0.00 2.45 0.00 -1.07 -0.98 119.26 122.72 2ony h ALA 566 Ca -0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2ony h ALA 566 Cb 0.41 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2ony h ALA 566 CO 0.02 0.23 0.00 0.25 0.00 0.00 0.00 179.25 179.76 2ony n THR 567 N -3.64 1.07 -0.82 0.00 -2.24 -0.94 -4.80 114.28 102.90 2ony n THR 567 Ca -0.01 0.47 0.00 0.00 -2.27 0.00 0.00 64.05 62.24 2ony n THR 567 Cb 0.31 -1.42 0.00 0.00 -2.10 0.00 0.00 70.33 67.12 2ony n THR 567 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ony n GLY 568 N -0.71 0.52 0.09 3.38 0.00 -0.37 -4.84 105.19 103.26 2ony n GLY 568 Ca 0.01 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.17 2ony n GLY 568 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ony n GLU 569 N -1.89 0.62 -3.91 1.61 1.02 -1.26 -4.55 120.64 112.27 2ony n GLU 569 Ca 0.00 -0.18 -0.32 0.00 -0.02 0.00 0.00 57.16 56.64 2ony n GLU 569 Cb 0.03 -1.50 -0.13 0.00 -0.02 0.00 0.00 31.44 29.82 2ony n GLU 569 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2ony s VAL 570 N -2.51 2.76 0.30 2.62 1.01 -1.26 -5.03 120.40 118.29 2ony s VAL 570 Ca 0.28 -3.02 -0.02 0.00 0.00 0.00 0.00 61.98 59.22 2ony s VAL 570 Cb 0.20 -2.91 -0.01 0.00 0.00 0.00 0.00 36.38 33.66 2ony s VAL 570 CO 0.48 -0.77 0.37 -0.55 0.00 0.00 0.00 175.10 174.62 2ony s SER 571 N 0.19 0.77 0.00 3.32 0.15 -1.26 -4.95 113.70 111.93 2ony s SER 571 Ca 0.15 -1.44 0.00 0.00 0.70 0.00 0.00 55.95 55.36 2ony s SER 571 Cb -0.24 0.57 0.00 0.00 -1.71 0.00 0.00 66.02 64.65 2ony s SER 571 CO -0.02 -1.13 0.00 0.61 1.20 0.00 0.00 173.24 173.89 2ony n GLY 572 N -0.49 -0.16 0.10 9.45 0.00 -1.23 -4.90 105.19 107.96 2ony n GLY 572 Ca 0.02 -1.37 -0.15 0.00 0.00 0.00 0.00 46.02 44.52 2ony n GLY 572 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2ony n ARG 573 N 0.00 0.53 -4.02 1.61 0.63 -1.26 -4.29 116.66 109.86 2ony n ARG 573 Ca 0.00 0.33 -0.36 0.00 -0.92 0.00 0.00 57.85 56.90 2ony n ARG 573 Cb 0.00 -1.53 -0.07 0.00 0.45 0.00 0.00 32.46 31.30 2ony n ARG 573 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 2ony s THR 574 N -2.61 5.13 -0.01 5.15 -4.23 -1.26 -1.27 115.64 116.54 2ony s THR 574 Ca -0.29 0.07 0.04 0.00 -1.18 0.00 0.00 61.69 60.33 2ony s THR 574 Cb 0.07 -3.22 -0.01 0.00 1.34 0.00 0.00 72.50 70.67 2ony s THR 574 CO 0.42 0.60 -0.13 -0.22 -0.54 0.00 0.00 174.62 174.75 2ony s LEU 575 N -0.84 2.04 -0.11 4.79 2.96 0.57 -1.26 118.68 126.83 2ony s LEU 575 Ca 0.13 -0.25 0.02 0.00 -0.22 0.00 0.00 54.13 53.82 2ony s LEU 575 Cb -0.12 -0.66 0.01 0.00 0.50 0.00 0.00 46.19 45.92 2ony s LEU 575 CO 0.03 0.15 -0.17 -0.63 -1.32 0.00 0.00 176.35 174.41 2ony s ILE 576 N -0.34 1.62 -0.35 6.68 1.01 -0.64 0.27 121.20 129.45 2ony s ILE 576 Ca 0.05 -0.73 -0.13 0.00 0.00 0.00 0.00 60.65 59.84 2ony s ILE 576 Cb -0.05 -1.46 -0.01 0.00 0.01 0.00 0.00 42.46 40.95 2ony s ILE 576 CO -0.00 0.46 0.25 -0.62 0.00 0.00 0.00 174.94 175.03 2ony s ASP 577 N 0.83 6.07 -0.23 3.58 2.15 0.47 -1.37 116.67 128.17 2ony s ASP 577 Ca -0.09 -0.48 -0.24 0.00 0.43 0.00 0.00 52.55 52.17 2ony s ASP 577 Cb -0.16 -2.14 -0.01 0.00 -0.30 0.00 0.00 42.92 40.32 2ony s ASP 577 CO 0.00 -0.26 0.81 -0.63 -0.17 0.00 0.00 175.17 174.92 2ony s ILE 578 N 1.72 4.86 -0.95 4.11 -1.09 0.16 -2.86 121.20 127.15 2ony s ILE 578 Ca 0.06 1.54 -0.03 0.00 -2.23 0.00 0.00 60.65 59.99 2ony s ILE 578 Cb -0.18 -4.10 -0.03 0.00 -1.58 0.00 0.00 42.46 36.57 2ony s ILE 578 CO 0.10 -0.05 0.81 0.61 -1.23 0.00 0.00 174.94 175.19 2ony n GLY 579 N 3.73 -0.54 0.30 6.18 0.00 -1.24 -4.07 105.19 109.56 2ony n GLY 579 Ca 0.05 0.23 0.09 0.00 0.00 0.00 0.00 46.02 46.39 2ony n GLY 579 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2ony h SER 580 N -1.25 0.20 0.00 1.61 0.02 -0.14 -3.43 113.55 110.56 2ony h SER 580 Ca -0.51 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.44 2ony h SER 580 Cb 1.27 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.77 2ony h SER 580 CO 0.40 0.14 0.00 0.61 -1.14 0.00 0.00 176.83 176.83 2ony n GLY 581 N -1.53 1.14 1.88 -3.77 0.00 -1.25 -2.69 105.19 98.98 2ony n GLY 581 Ca 0.02 -0.67 -0.06 0.00 0.00 0.00 0.00 46.02 45.32 2ony n GLY 581 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2ony n PRO 582 N 3.71 3.47 -4.31 1.61 -0.04 -1.26 -4.68 135.00 133.50 2ony n PRO 582 Ca 0.00 -3.08 -0.23 0.00 -0.04 0.00 0.00 63.50 60.14 2ony n PRO 582 Cb 0.00 -2.17 -0.08 0.00 -0.04 0.00 0.00 33.50 31.22 2ony n PRO 582 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2ony s THR 583 N -3.02 3.17 0.00 0.52 -4.23 -1.09 -4.80 115.64 106.19 2ony s THR 583 Ca 0.54 -1.98 0.00 0.00 -1.18 0.00 0.00 61.69 59.07 2ony s THR 583 Cb 0.44 -2.77 0.00 0.00 1.34 0.00 0.00 72.50 71.51 2ony s THR 583 CO 0.12 -0.34 0.00 1.33 -0.54 0.00 0.00 174.62 175.19 2ony n VAL 584 N -0.88 0.00 -0.34 2.29 0.24 -1.26 -4.84 118.33 113.54 2ony n VAL 584 Ca -0.06 -0.08 0.20 0.00 -2.04 0.00 0.00 64.34 62.36 2ony n VAL 584 Cb 0.60 0.60 0.42 0.00 -1.47 0.00 0.00 33.84 33.99 2ony n VAL 584 CO 0.00 0.00 0.00 0.10 -2.14 0.00 0.00 176.83 174.79 2ony h TYR 585 N 0.00 0.97 0.00 6.34 -0.00 -1.96 0.89 116.97 123.20 2ony h TYR 585 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 58.73 58.77 2ony h TYR 585 Cb 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 36.73 36.46 2ony h TYR 585 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 178.16 178.16 2ony n GLN 586 N -4.90 0.07 -0.00 0.10 0.00 -1.26 -1.47 117.38 109.92 2ony n GLN 586 Ca 0.28 0.23 0.00 0.00 0.00 0.00 0.00 57.00 57.52 2ony n GLN 586 Cb 0.82 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.57 2ony n GLN 586 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 2ony n LEU 587 N -1.28 1.37 -0.20 2.61 4.77 0.30 -4.69 117.00 119.89 2ony n LEU 587 Ca 0.02 -1.33 -0.06 0.00 -0.03 0.00 0.00 56.01 54.61 2ony n LEU 587 Cb 0.04 -0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.16 2ony n LEU 587 CO 0.04 0.34 1.10 -0.07 -1.33 0.00 0.00 177.39 177.47 2ony h LEU 588 N 0.09 0.67 0.00 2.23 3.38 -1.26 -1.75 115.31 118.67 2ony h LEU 588 Ca 0.00 -0.03 -0.17 0.00 0.09 0.00 0.00 57.88 57.77 2ony h LEU 588 Cb 0.18 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 2ony h LEU 588 CO 0.00 0.50 -1.12 0.28 0.09 0.00 0.00 178.44 178.19 2ony h SER 589 N 0.78 0.00 -0.08 -0.43 0.02 -1.86 -3.36 113.55 108.61 2ony h SER 589 Ca 0.21 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 61.01 2ony h SER 589 Cb -0.07 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.46 2ony h SER 589 CO -0.04 0.68 -0.44 0.00 -1.14 0.00 0.00 176.83 175.89 2ony h ALA 590 N 1.32 0.77 -0.07 3.77 0.00 -1.80 -3.29 119.26 119.97 2ony h ALA 590 Ca -0.11 -0.46 0.02 0.00 0.00 0.00 0.00 54.91 54.36 2ony h ALA 590 Cb 1.61 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.30 2ony h ALA 590 CO 0.07 0.66 0.07 0.00 0.00 0.00 0.00 179.25 180.06 2ony n SER 592 N -3.87 0.51 0.00 0.00 3.41 -1.24 -3.46 113.62 108.97 2ony n SER 592 Ca -0.01 -1.98 0.00 0.00 -0.26 0.00 0.00 58.87 56.62 2ony n SER 592 Cb 0.17 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 2ony n SER 592 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2ony n HIS 593 N -0.23 0.00 -3.67 7.33 8.25 -0.05 -5.03 115.22 121.82 2ony n HIS 593 Ca 0.04 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.30 2ony n HIS 593 Cb 0.08 0.00 -0.18 0.00 1.12 0.00 0.00 29.99 31.01 2ony n HIS 593 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 2ony s PHE 594 N -0.04 0.05 0.30 4.41 0.40 -1.16 -3.52 117.98 118.42 2ony s PHE 594 Ca 0.00 0.25 0.02 0.00 -0.60 0.00 0.00 56.93 56.60 2ony s PHE 594 Cb 0.00 -0.48 0.48 0.00 0.51 0.00 0.00 43.02 43.53 2ony s PHE 594 CO 0.00 -0.21 1.81 0.93 0.70 0.00 0.00 175.22 178.45 2ony h GLU 595 N 8.44 0.61 -4.86 0.44 4.39 -1.64 -3.42 114.58 118.53 2ony h GLU 595 Ca -0.12 -0.16 -0.64 0.00 0.34 0.00 0.00 59.36 58.78 2ony h GLU 595 Cb 1.12 -0.07 -0.36 0.00 -0.10 0.00 0.00 28.75 29.34 2ony h GLU 595 CO 0.16 0.66 -0.84 0.34 -1.16 0.00 0.00 179.01 178.17 2ony s ASP 596 N -6.72 3.06 -0.11 1.42 3.68 -0.39 -4.62 116.67 112.99 2ony s ASP 596 Ca -0.08 -0.65 0.03 0.00 2.13 0.00 0.00 52.55 53.98 2ony s ASP 596 Cb 0.15 -1.35 0.00 0.00 -1.45 0.00 0.00 42.92 40.27 2ony s ASP 596 CO 0.79 -0.05 -0.23 -0.63 0.13 0.00 0.00 175.17 175.18 2ony s ILE 597 N 1.36 2.15 -0.22 4.11 1.01 0.84 -0.32 121.20 130.13 2ony s ILE 597 Ca 0.04 -0.98 -0.08 0.00 0.00 0.00 0.00 60.65 59.63 2ony s ILE 597 Cb -0.14 -1.83 -0.04 0.00 0.01 0.00 0.00 42.46 40.46 2ony s ILE 597 CO -0.11 0.55 0.08 -0.89 0.00 0.00 0.00 174.94 174.57 2ony s THR 598 N 0.44 4.62 0.27 2.92 2.01 0.14 -1.09 115.64 124.95 2ony s THR 598 Ca -0.16 -0.08 0.04 0.00 0.31 0.00 0.00 61.69 61.81 2ony s THR 598 Cb -0.17 -3.13 -0.03 0.00 0.01 0.00 0.00 72.50 69.18 2ony s THR 598 CO 0.06 0.38 0.41 -0.04 -0.69 0.00 0.00 174.62 174.74 2ony s MET 599 N 1.12 3.39 0.11 4.92 -1.94 -0.38 -0.40 119.30 126.12 2ony s MET 599 Ca 0.05 -0.73 -0.22 0.00 -1.71 0.00 0.00 55.69 53.08 2ony s MET 599 Cb -0.14 -2.84 0.06 0.00 2.01 0.00 0.00 34.83 33.92 2ony s MET 599 CO 0.03 0.32 0.55 0.95 -0.01 0.00 0.00 175.02 176.86 2ony s THR 600 N -2.07 0.02 -0.22 2.05 -4.23 -1.13 -1.56 115.64 108.50 2ony s THR 600 Ca 0.37 -0.18 -0.30 0.00 -1.18 0.00 0.00 61.69 60.40 2ony s THR 600 Cb -0.09 -1.03 0.16 0.00 1.34 0.00 0.00 72.50 72.87 2ony s THR 600 CO 0.31 -0.10 1.17 -0.62 -0.54 0.00 0.00 174.62 174.84 2ony s ASP 601 N -2.48 -0.21 0.09 3.99 2.15 -0.45 0.48 116.67 120.23 2ony s ASP 601 Ca -0.01 0.23 -0.16 0.00 0.43 0.00 0.00 52.55 53.04 2ony s ASP 601 Cb -0.00 0.17 -0.09 0.00 -0.30 0.00 0.00 42.92 42.70 2ony s ASP 601 CO -0.09 -0.20 1.41 0.15 -0.17 0.00 0.00 175.17 176.28 2ony h PHE 602 N 2.31 0.76 -3.37 -5.34 3.57 -1.86 -2.60 116.94 110.42 2ony h PHE 602 Ca -0.13 -0.22 -0.58 0.00 3.53 0.00 0.00 57.97 60.57 2ony h PHE 602 Cb 1.17 -0.16 -0.08 0.00 2.79 0.00 0.00 35.95 39.68 2ony h PHE 602 CO 0.25 0.94 0.07 -0.51 -2.23 0.00 0.00 178.31 176.83 2ony s LEU 603 N -9.02 4.23 0.21 0.59 1.43 -1.26 -4.75 118.68 110.12 2ony s LEU 603 Ca -0.13 0.98 -0.10 0.00 -1.03 0.00 0.00 54.13 53.85 2ony s LEU 603 Cb 0.08 -2.94 0.17 0.00 0.03 0.00 0.00 46.19 43.53 2ony s LEU 603 CO 0.81 -0.17 1.87 -0.08 0.23 0.00 0.00 176.35 179.02 2ony h GLU 604 N 7.06 0.96 0.00 1.70 4.81 -1.99 -1.18 114.58 125.95 2ony h GLU 604 Ca -0.37 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.81 2ony h GLU 604 Cb 1.17 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 30.33 2ony h GLU 604 CO 0.77 0.64 0.04 -0.39 -0.73 0.00 0.00 179.01 179.34 2ony h VAL 605 N 0.99 0.00 0.10 0.32 -1.51 -1.98 0.25 116.25 114.42 2ony h VAL 605 Ca 0.28 0.00 -0.29 0.00 -1.23 0.00 0.00 66.70 65.46 2ony h VAL 605 Cb -0.08 0.79 -0.01 0.00 -2.13 0.00 0.00 31.29 29.86 2ony h VAL 605 CO -0.07 0.00 -1.55 0.78 -1.23 0.00 0.00 177.57 175.50 2ony h ASN 606 N 0.00 0.34 0.10 4.19 -0.26 -1.59 -2.97 115.58 115.38 2ony h ASN 606 Ca 0.00 -0.83 -0.01 0.00 -0.56 0.00 0.00 56.30 54.90 2ony h ASN 606 Cb 0.09 -0.11 -0.00 0.00 -1.06 0.00 0.00 38.32 37.24 2ony h ASN 606 CO 0.00 1.67 -0.06 0.03 -1.06 0.00 0.00 177.43 178.00 2ony h ARG 607 N -0.31 0.00 0.03 0.81 3.08 -0.10 -1.17 114.38 116.71 2ony h ARG 607 Ca -0.34 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.49 2ony h ARG 607 Cb 1.77 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.80 2ony h ARG 607 CO 0.03 0.06 -1.01 1.96 -1.07 0.00 0.00 179.97 179.94 2ony h GLN 608 N 0.00 0.09 -0.42 0.04 4.20 -0.73 -1.36 115.11 116.93 2ony h GLN 608 Ca -0.00 -0.14 -0.10 0.00 0.06 0.00 0.00 58.65 58.47 2ony h GLN 608 Cb 0.13 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.94 2ony h GLN 608 CO 0.01 1.02 -0.14 1.49 -0.67 0.00 0.00 178.83 180.53 2ony h GLU 609 N 0.03 0.78 -0.25 1.46 4.57 -1.07 -0.24 114.58 119.86 2ony h GLU 609 Ca -0.04 -0.28 -0.11 0.00 -1.18 0.00 0.00 59.36 57.76 2ony h GLU 609 Cb 1.73 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 30.26 2ony h GLU 609 CO 0.14 0.88 -0.26 -0.07 -1.18 0.00 0.00 179.01 178.53 2ony h LEU 610 N 0.70 0.66 -2.42 1.64 3.38 -1.34 -2.52 115.31 115.41 2ony h LEU 610 Ca 0.11 -0.48 0.02 0.00 0.09 0.00 0.00 57.88 57.62 2ony h LEU 610 Cb 0.63 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 2ony h LEU 610 CO 0.04 1.00 0.09 1.23 0.09 0.00 0.00 178.44 180.89 2ony h GLY 611 N 0.33 0.00 1.75 0.83 0.00 -0.82 0.17 103.07 105.32 2ony h GLY 611 Ca 0.04 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.13 2ony h GLY 611 CO 0.06 0.00 -1.18 3.21 0.00 0.00 0.00 176.54 178.64 2ony h ARG 612 N 0.00 0.06 -0.08 4.80 3.08 -0.66 -2.95 114.38 118.63 2ony h ARG 612 Ca 0.03 -0.11 -0.22 0.00 0.07 0.00 0.00 59.98 59.76 2ony h ARG 612 Cb 0.21 0.04 0.01 0.00 0.08 0.00 0.00 29.97 30.30 2ony h ARG 612 CO -0.00 0.98 -0.84 2.35 -1.07 0.00 0.00 179.97 181.39 2ony h TRP 613 N 0.02 0.84 -0.84 3.04 7.01 -0.56 -2.50 115.95 122.95 2ony h TRP 613 Ca -0.08 -0.40 0.02 0.00 2.11 0.00 0.00 58.89 60.53 2ony h TRP 613 Cb 1.85 -0.12 -0.05 0.00 -2.10 0.00 0.00 29.16 28.75 2ony h TRP 613 CO 0.01 1.21 0.55 -0.07 -2.79 0.00 0.00 178.44 177.36 2ony h LEU 614 N 0.39 0.93 0.00 0.65 3.38 -0.82 -0.94 115.31 118.90 2ony h LEU 614 Ca -0.06 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.89 2ony h LEU 614 Cb 1.46 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.99 2ony h LEU 614 CO 0.16 0.66 0.00 0.00 0.09 0.00 0.00 178.44 179.35 2ony n GLN 615 N -4.53 0.88 -3.70 1.13 6.02 -1.11 -4.89 117.38 111.17 2ony n GLN 615 Ca 0.10 0.00 -0.24 0.00 -0.01 0.00 0.00 57.00 56.84 2ony n GLN 615 Cb 0.05 -1.50 0.05 0.00 1.02 0.00 0.00 30.24 29.87 2ony n GLN 615 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 2ony n GLU 616 N -1.06 -6.34 -2.95 -1.09 2.13 -0.36 -4.97 120.64 106.00 2ony n GLU 616 Ca 0.22 0.71 -0.35 0.00 0.66 0.00 0.00 57.16 58.40 2ony n GLU 616 Cb 0.14 -5.61 -0.06 0.00 0.27 0.00 0.00 31.44 26.17 2ony n GLU 616 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 2ony s GLU 617 N -6.20 4.31 0.31 5.31 2.02 -0.95 -4.98 118.70 118.51 2ony s GLU 617 Ca 0.40 1.03 0.01 0.00 0.02 0.00 0.00 54.97 56.42 2ony s GLU 617 Cb -0.19 -2.65 0.52 0.00 0.10 0.00 0.00 34.13 31.91 2ony s GLU 617 CO 0.78 0.24 1.92 -1.35 0.02 0.00 0.00 175.26 176.86 2ony h PRO 618 N 2.86 0.82 -0.74 0.39 0.11 -1.93 -2.33 132.00 131.19 2ony h PRO 618 Ca -0.48 -0.11 0.00 0.00 0.11 0.00 0.00 66.00 65.52 2ony h PRO 618 Cb 1.19 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.14 2ony h PRO 618 CO 0.64 0.65 0.00 0.41 -0.21 0.00 0.00 178.00 179.49 2ony n GLY 619 N -1.14 0.89 3.76 -0.55 0.00 -1.26 -4.74 105.19 102.15 2ony n GLY 619 Ca 0.05 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.80 2ony n GLY 619 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ony s ALA 620 N -0.70 3.47 0.35 4.61 0.00 -0.88 -5.04 121.76 123.57 2ony s ALA 620 Ca 0.00 -1.21 -0.28 0.00 0.00 0.00 0.00 51.96 50.46 2ony s ALA 620 Cb 0.00 -1.28 -0.11 0.00 0.00 0.00 0.00 23.12 21.73 2ony s ALA 620 CO 0.00 0.55 1.46 0.12 0.00 0.00 0.00 175.76 177.89 2ony s PHE 621 N -1.66 2.72 -0.52 0.00 5.36 -1.26 -4.94 117.98 117.67 2ony s PHE 621 Ca 0.30 1.16 -0.19 0.00 -0.96 0.00 0.00 56.93 57.23 2ony s PHE 621 Cb -0.10 -3.95 0.06 0.00 -0.34 0.00 0.00 43.02 38.69 2ony s PHE 621 CO 0.22 -2.83 0.66 1.21 -1.46 0.00 0.00 175.22 173.02 2ony s ASN 622 N -0.11 6.23 0.00 6.13 2.47 -1.26 -4.90 114.94 123.50 2ony s ASN 622 Ca 0.54 -0.94 0.20 0.00 0.42 0.00 0.00 52.86 53.08 2ony s ASN 622 Cb -0.45 -2.30 0.58 0.00 -1.45 0.00 0.00 41.25 37.62 2ony s ASN 622 CO 0.58 -0.96 1.46 0.79 -3.72 0.00 0.00 177.10 175.26 2ony n TRP 623 N 6.31 0.38 -0.33 0.43 7.02 -1.26 -4.55 117.44 125.44 2ony n TRP 623 Ca -0.06 -0.19 0.13 0.00 -1.02 0.00 0.00 57.50 56.35 2ony n TRP 623 Cb 0.45 0.00 0.31 0.00 -2.42 0.00 0.00 31.31 29.65 2ony n TRP 623 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 2ony h SER 624 N 3.05 0.60 -0.53 -0.99 4.64 -1.98 0.99 113.55 119.32 2ony h SER 624 Ca 0.00 0.12 -0.01 0.00 -0.47 0.00 0.00 61.79 61.42 2ony h SER 624 Cb 0.67 0.02 -0.03 0.00 -0.31 0.00 0.00 62.40 62.76 2ony h SER 624 CO 0.00 0.17 0.29 0.24 -0.87 0.00 0.00 176.83 176.66 2ony h MET 625 N 0.61 0.77 -0.03 4.77 2.86 -1.99 0.74 114.93 122.66 2ony h MET 625 Ca 0.56 -0.08 -0.19 0.00 -2.06 0.00 0.00 59.70 57.93 2ony h MET 625 Cb 0.94 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.44 2ony h MET 625 CO -0.43 0.58 -0.78 1.88 1.06 0.00 0.00 176.91 179.22 2ony h TYR 626 N 0.78 0.40 -0.11 -0.22 -1.99 -1.24 -0.86 116.97 113.72 2ony h TYR 626 Ca 0.20 -0.19 -0.03 0.00 2.00 0.00 0.00 58.73 60.70 2ony h TYR 626 Cb 0.04 -0.05 -0.00 0.00 2.00 0.00 0.00 36.73 38.72 2ony h TYR 626 CO 0.01 0.96 -0.06 0.77 -0.00 0.00 0.00 178.16 179.83 2ony h SER 627 N 0.18 0.24 -0.16 3.88 0.02 0.09 -1.88 113.55 115.93 2ony h SER 627 Ca -0.04 -0.42 -0.04 0.00 -0.84 0.00 0.00 61.79 60.45 2ony h SER 627 Cb 1.37 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 63.83 2ony h SER 627 CO 0.13 0.61 -0.02 -0.61 -1.14 0.00 0.00 176.83 175.80 2ony h GLN 628 N -0.12 0.42 -0.19 3.45 5.75 0.48 -2.40 115.11 122.51 2ony h GLN 628 Ca 0.02 -0.08 -0.20 0.00 -0.15 0.00 0.00 58.65 58.24 2ony h GLN 628 Cb 0.52 -0.06 0.00 0.00 1.07 0.00 0.00 27.48 29.01 2ony h GLN 628 CO 0.02 0.47 -0.67 1.25 -2.65 0.00 0.00 178.83 177.24 2ony h HIS 629 N 0.41 0.95 -0.45 3.99 2.76 -1.05 -2.17 115.15 119.58 2ony h HIS 629 Ca 0.09 -0.38 0.00 0.00 -2.20 0.00 0.00 60.37 57.88 2ony h HIS 629 Cb 0.30 -0.16 -0.02 0.00 1.55 0.00 0.00 27.41 29.08 2ony h HIS 629 CO 0.01 1.19 0.29 0.00 -1.30 0.00 0.00 177.93 178.11 2ony h ALA 630 N 0.72 0.57 -0.96 5.26 0.00 -1.04 -2.07 119.26 121.73 2ony h ALA 630 Ca -0.02 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.87 2ony h ALA 630 Cb 1.27 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.83 2ony h ALA 630 CO 0.14 0.03 0.63 0.00 0.00 0.00 0.00 179.25 180.05 2ony h LEU 632 N 1.26 1.10 0.00 0.00 5.85 -0.74 -2.61 115.31 120.17 2ony h LEU 632 Ca 0.37 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 59.00 2ony h LEU 632 Cb -0.08 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 40.67 2ony h LEU 632 CO -0.10 0.87 -0.81 2.30 -0.34 0.00 0.00 178.44 180.36 2ony n ILE 633 N -4.36 0.29 0.31 4.05 -5.35 -0.85 -3.49 119.36 109.96 2ony n ILE 633 Ca 0.09 -0.28 0.12 0.00 -0.27 0.00 0.00 62.75 62.42 2ony n ILE 633 Cb 0.08 -0.01 0.22 0.00 -1.74 0.00 0.00 39.64 38.19 2ony n ILE 633 CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 2ony h GLU 634 N 0.00 0.00 -6.35 6.28 5.08 -1.19 -3.48 114.58 114.93 2ony h GLU 634 Ca 0.00 0.00 -0.48 0.00 -1.00 0.00 0.00 59.36 57.88 2ony h GLU 634 Cb 0.75 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.96 2ony h GLU 634 CO 0.00 0.00 -0.79 0.41 -1.00 0.00 0.00 179.01 177.63 2ony n GLY 635 N 1.15 -0.44 0.53 -3.84 0.00 -1.00 -4.88 105.19 96.72 2ony n GLY 635 Ca 0.04 0.17 0.07 0.00 0.00 0.00 0.00 46.02 46.31 2ony n GLY 635 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2ony n LYS 636 N -4.56 2.57 -1.68 1.61 5.02 -1.26 -4.96 118.16 114.90 2ony n LYS 636 Ca -0.03 -2.41 -0.18 0.00 -2.02 0.00 0.00 58.31 53.66 2ony n LYS 636 Cb 0.56 -1.51 -0.07 0.00 -0.02 0.00 0.00 35.03 33.98 2ony n LYS 636 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2ony n GLY 637 N -0.47 1.39 3.78 0.72 0.00 -1.26 -4.94 105.19 104.41 2ony n GLY 637 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 2ony n GLY 637 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ony s GLU 638 N -3.81 3.96 0.12 1.61 2.12 -1.26 -5.02 118.70 116.42 2ony s GLU 638 Ca 0.00 1.57 -0.13 0.00 0.36 0.00 0.00 54.97 56.77 2ony s GLU 638 Cb 0.00 -2.41 -0.06 0.00 0.26 0.00 0.00 34.13 31.91 2ony s GLU 638 CO 0.00 -0.33 0.49 0.00 -0.54 0.00 0.00 175.26 174.88 2ony h TRP 640 N 3.64 0.00 -0.00 0.00 5.08 -1.93 -1.67 115.95 121.07 2ony h TRP 640 Ca -0.49 0.00 -0.18 0.00 1.08 0.00 0.00 58.89 59.31 2ony h TRP 640 Cb 1.19 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 27.33 2ony h TRP 640 CO 0.66 0.01 -0.81 1.96 -1.28 0.00 0.00 178.44 178.97 2ony h GLN 641 N 0.00 0.07 -0.18 0.12 7.50 -1.95 -2.09 115.11 118.58 2ony h GLN 641 Ca -0.00 -0.07 -0.21 0.00 0.50 0.00 0.00 58.65 58.87 2ony h GLN 641 Cb 0.16 0.02 0.00 0.00 0.05 0.00 0.00 27.48 27.72 2ony h GLN 641 CO 0.00 0.84 -0.70 -0.44 -1.50 0.00 0.00 178.83 177.03 2ony h ASP 642 N 0.04 0.88 -0.28 1.46 5.19 -1.72 -1.75 116.42 120.24 2ony h ASP 642 Ca -0.02 -0.54 0.00 0.00 -0.62 0.00 0.00 57.03 55.85 2ony h ASP 642 Cb 1.43 -0.26 -0.01 0.00 0.18 0.00 0.00 39.33 40.66 2ony h ASP 642 CO 0.11 1.33 0.18 0.50 -3.12 0.00 0.00 179.24 178.25 2ony h LYS 643 N 0.54 0.37 -0.22 3.56 1.63 -1.40 -1.05 116.57 120.01 2ony h LYS 643 Ca -0.03 -0.03 -0.13 0.00 -0.85 0.00 0.00 60.65 59.62 2ony h LYS 643 Cb 1.31 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 32.85 2ony h LYS 643 CO 0.14 0.26 -0.41 0.93 -3.45 0.00 0.00 179.45 176.93 2ony h GLU 644 N 0.38 0.51 -0.29 1.90 5.08 -1.37 -1.84 114.58 118.95 2ony h GLU 644 Ca 0.10 -0.25 -0.07 0.00 -1.00 0.00 0.00 59.36 58.14 2ony h GLU 644 Cb -0.03 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 2ony h GLU 644 CO -0.02 0.83 -0.13 -0.09 -1.00 0.00 0.00 179.01 178.60 2ony h ARG 645 N 0.42 0.49 -0.08 2.33 2.43 -1.08 -0.88 114.38 118.00 2ony h ARG 645 Ca 0.04 -0.14 -0.20 0.00 -0.81 0.00 0.00 59.98 58.86 2ony h ARG 645 Cb 0.89 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.39 2ony h ARG 645 CO 0.08 0.62 -0.79 0.37 -1.51 0.00 0.00 179.97 178.73 2ony h GLN 646 N 0.45 0.52 -0.40 0.20 4.15 -0.88 -2.79 115.11 116.37 2ony h GLN 646 Ca 0.08 -0.45 -0.07 0.00 0.77 0.00 0.00 58.65 58.99 2ony h GLN 646 Cb 0.50 0.10 -0.01 0.00 0.21 0.00 0.00 27.48 28.27 2ony h GLN 646 CO 0.03 1.08 -0.00 1.25 -1.93 0.00 0.00 178.83 179.26 2ony h LEU 647 N 0.35 0.70 -1.46 -2.39 5.85 -0.90 -1.88 115.31 115.58 2ony h LEU 647 Ca -0.05 -0.31 -0.06 0.00 0.84 0.00 0.00 57.88 58.30 2ony h LEU 647 Cb 1.39 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.22 2ony h LEU 647 CO 0.14 0.84 -0.28 0.03 -0.34 0.00 0.00 178.44 178.84 2ony h ARG 648 N 0.54 0.00 0.00 1.25 3.08 -1.18 -2.23 114.38 115.84 2ony h ARG 648 Ca 0.11 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.93 2ony h ARG 648 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.54 2ony h ARG 648 CO 0.02 0.28 -0.96 0.00 -1.07 0.00 0.00 179.97 178.23 2ony h ALA 649 N 1.72 0.33 -0.00 0.04 0.00 -1.28 -3.28 119.26 116.79 2ony h ALA 649 Ca -0.00 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 54.20 2ony h ALA 649 Cb 0.51 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2ony h ALA 649 CO 0.04 0.80 -0.23 0.54 0.00 0.00 0.00 179.25 180.40 2ony n ARG 650 N -3.75 0.12 -2.66 0.00 1.74 -0.72 -4.65 116.66 106.73 2ony n ARG 650 Ca -0.07 -0.04 -0.42 0.00 -0.77 0.00 0.00 57.85 56.54 2ony n ARG 650 Cb 0.85 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.75 2ony n ARG 650 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2ony s VAL 651 N -2.91 4.05 -0.60 1.55 1.01 -0.87 -0.11 120.40 122.53 2ony s VAL 651 Ca 0.15 0.47 0.24 0.00 0.00 0.00 0.00 61.98 62.85 2ony s VAL 651 Cb 0.19 -4.73 0.10 0.00 0.00 0.00 0.00 36.38 31.93 2ony s VAL 651 CO 0.59 -1.45 1.38 0.11 0.00 0.00 0.00 175.10 175.73 2ony h LYS 652 N 9.63 0.00 -1.57 2.72 1.79 -1.38 -3.48 116.57 124.29 2ony h LYS 652 Ca -0.27 0.00 0.16 0.00 -2.18 0.00 0.00 60.65 58.37 2ony h LYS 652 Cb 1.06 0.00 -0.21 0.00 -1.58 0.00 0.00 32.23 31.50 2ony h LYS 652 CO 1.19 0.00 0.68 -0.98 -1.08 0.00 0.00 179.45 179.26 2ony s ARG 653 N -3.18 0.46 -0.29 3.15 1.70 -1.24 -5.06 118.95 114.49 2ony s ARG 653 Ca 0.06 -0.02 0.01 0.00 -0.47 0.00 0.00 55.73 55.31 2ony s ARG 653 Cb 0.12 0.21 0.08 0.00 -0.57 0.00 0.00 34.95 34.80 2ony s ARG 653 CO 0.71 -0.17 0.02 0.08 -1.08 0.00 0.00 175.30 174.85 2ony s VAL 654 N -1.77 1.59 0.15 4.99 1.01 -1.26 -1.25 120.40 123.87 2ony s VAL 654 Ca 0.04 -1.61 0.05 0.00 0.00 0.00 0.00 61.98 60.46 2ony s VAL 654 Cb -0.01 -2.04 -0.04 0.00 0.00 0.00 0.00 36.38 34.30 2ony s VAL 654 CO -0.04 -0.40 0.08 -0.76 0.00 0.00 0.00 175.10 173.98 2ony s LEU 655 N 1.30 3.64 0.33 3.92 1.43 -0.60 -4.95 118.68 123.75 2ony s LEU 655 Ca 0.03 -0.20 -0.27 0.00 -1.03 0.00 0.00 54.13 52.67 2ony s LEU 655 Cb -0.18 -2.28 -0.09 0.00 0.03 0.00 0.00 46.19 43.66 2ony s LEU 655 CO -0.12 0.09 1.03 -2.84 0.23 0.00 0.00 176.35 174.75 2ony s PRO 656 N -2.94 4.47 0.00 1.29 0.02 -1.26 -1.35 135.00 135.23 2ony s PRO 656 Ca 0.29 1.57 -0.07 0.00 0.02 0.00 0.00 61.00 62.81 2ony s PRO 656 Cb -0.10 -2.87 0.00 0.00 0.02 0.00 0.00 34.50 31.55 2ony s PRO 656 CO 0.22 0.12 0.13 -1.50 -0.33 0.00 0.00 177.00 175.64 2ony s ILE 657 N -1.44 0.08 -0.19 2.83 2.07 -0.98 -4.70 121.20 118.87 2ony s ILE 657 Ca 0.50 -0.70 -0.05 0.00 -1.41 0.00 0.00 60.65 59.00 2ony s ILE 657 Cb -0.25 -0.43 0.07 0.00 0.13 0.00 0.00 42.46 41.98 2ony s ILE 657 CO 0.31 -0.38 0.11 -0.62 -1.91 0.00 0.00 174.94 172.45 2ony s ASP 658 N -1.39 2.41 0.03 4.50 -1.08 -0.47 -3.33 116.67 117.34 2ony s ASP 658 Ca -0.15 -0.68 0.14 0.00 -0.52 0.00 0.00 52.55 51.35 2ony s ASP 658 Cb -0.08 -0.18 0.60 0.00 -1.46 0.00 0.00 42.92 41.80 2ony s ASP 658 CO 0.02 -0.36 1.45 1.33 0.52 0.00 0.00 175.17 178.12 2ony n VAL 659 N 5.28 1.09 1.02 1.11 0.24 -1.26 -2.49 118.33 123.31 2ony n VAL 659 Ca -0.07 0.28 0.13 0.00 -2.04 0.00 0.00 64.34 62.65 2ony n VAL 659 Cb 0.48 -1.08 0.47 0.00 -1.47 0.00 0.00 33.84 32.24 2ony n VAL 659 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 2ony n HIS 660 N -1.59 0.00 -3.34 6.34 8.25 -1.26 -4.39 115.22 119.23 2ony n HIS 660 Ca 0.03 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.14 2ony n HIS 660 Cb 0.16 -0.39 -0.06 0.00 1.12 0.00 0.00 29.99 30.82 2ony n HIS 660 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 2ony s GLN 661 N -2.98 3.98 0.60 -0.41 -1.52 -1.04 -4.95 119.66 113.35 2ony s GLN 661 Ca 0.13 0.50 0.30 0.00 -1.95 0.00 0.00 55.36 54.34 2ony s GLN 661 Cb 0.18 -2.88 1.74 0.00 -0.22 0.00 0.00 33.01 31.83 2ony s GLN 661 CO 0.59 0.45 2.14 -1.35 -0.25 0.00 0.00 175.29 176.87 2ony h PRO 662 N 3.41 0.00 -2.93 2.91 0.11 -1.89 -2.94 132.00 130.66 2ony h PRO 662 Ca -0.48 0.00 -0.61 0.00 0.11 0.00 0.00 66.00 65.01 2ony h PRO 662 Cb 1.19 0.00 -0.41 0.00 0.11 0.00 0.00 31.00 31.89 2ony h PRO 662 CO 0.66 0.00 -0.67 -0.65 -0.21 0.00 0.00 178.00 177.13 2ony s GLN 663 N -4.58 2.08 0.41 1.05 -0.21 -1.26 -4.81 119.66 112.34 2ony s GLN 663 Ca -0.05 -3.03 0.32 0.00 0.02 0.00 0.00 55.36 52.63 2ony s GLN 663 Cb 0.15 -2.95 1.37 0.00 1.00 0.00 0.00 33.01 32.57 2ony s GLN 663 CO 0.53 -1.30 1.37 -2.30 -2.12 0.00 0.00 175.29 171.47 2ony n PRO 664 N 2.23 -0.02 0.00 2.91 -0.02 -1.11 -0.19 135.00 138.79 2ony n PRO 664 Ca 0.21 1.07 0.12 0.00 -2.02 0.00 0.00 63.50 62.88 2ony n PRO 664 Cb 0.38 -2.18 0.09 0.00 -0.02 0.00 0.00 33.50 31.77 2ony n PRO 664 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2ony n LEU 665 N -4.28 2.93 0.00 2.45 4.77 -1.26 -1.37 117.00 120.24 2ony n LEU 665 Ca 0.36 -0.98 0.00 0.00 -0.03 0.00 0.00 56.01 55.36 2ony n LEU 665 Cb 1.48 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.57 2ony n LEU 665 CO 0.22 0.49 0.00 0.61 -1.33 0.00 0.00 177.39 177.38 2ony n GLY 666 N 1.35 -3.74 3.80 -0.72 0.00 0.73 -4.67 105.19 101.95 2ony n GLY 666 Ca 0.14 -2.00 -0.38 0.00 0.00 0.00 0.00 46.02 43.77 2ony n GLY 666 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ony s ALA 667 N -1.10 3.60 -1.22 4.61 0.00 -1.26 -4.26 121.76 122.13 2ony s ALA 667 Ca 0.00 -0.08 -0.12 0.00 0.00 0.00 0.00 51.96 51.75 2ony s ALA 667 Cb 0.00 -2.57 -0.01 0.00 0.00 0.00 0.00 23.12 20.54 2ony s ALA 667 CO 0.00 0.34 0.70 0.41 0.00 0.00 0.00 175.76 177.21 2ony n GLY 668 N 2.08 -0.72 3.92 0.00 0.00 -1.26 -4.96 105.19 104.24 2ony n GLY 668 Ca -0.11 0.34 -0.27 0.00 0.00 0.00 0.00 46.02 45.99 2ony n GLY 668 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ony s SER 669 N -3.80 4.69 -0.00 1.61 1.04 -1.26 -5.02 113.70 110.96 2ony s SER 669 Ca 0.30 0.55 -0.25 0.00 0.48 0.00 0.00 55.95 57.03 2ony s SER 669 Cb -0.10 -1.14 -0.18 0.00 0.10 0.00 0.00 66.02 64.70 2ony s SER 669 CO 0.85 -1.71 1.26 -0.65 0.98 0.00 0.00 173.24 173.97 2ony h PRO 670 N -0.76 -0.17 -5.07 4.02 0.11 -1.93 -3.46 132.00 124.74 2ony h PRO 670 Ca -0.45 0.01 -0.64 0.00 0.11 0.00 0.00 66.00 65.03 2ony h PRO 670 Cb 1.32 0.04 0.06 0.00 0.11 0.00 0.00 31.00 32.52 2ony h PRO 670 CO 0.62 0.20 -0.09 0.00 -0.21 0.00 0.00 178.00 178.51 2ony n ALA 671 N -2.39 -3.01 -2.11 -0.75 0.00 -1.26 -4.75 120.51 106.24 2ony n ALA 671 Ca -0.09 0.47 -0.43 0.00 0.00 0.00 0.00 53.44 53.40 2ony n ALA 671 Cb 0.23 -1.45 -0.03 0.00 0.00 0.00 0.00 19.45 18.21 2ony n ALA 671 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2ony s PRO 672 N -0.24 3.92 0.08 0.00 0.02 -1.26 -4.99 135.00 132.53 2ony s PRO 672 Ca 0.70 1.79 0.09 0.00 0.02 0.00 0.00 61.00 63.60 2ony s PRO 672 Cb -0.99 -4.00 -0.04 0.00 0.02 0.00 0.00 34.50 29.49 2ony s PRO 672 CO 0.48 -1.14 -0.21 -0.51 -0.33 0.00 0.00 177.00 175.29 2ony s LEU 673 N 4.78 2.52 0.37 -5.54 1.43 -1.26 -3.72 118.68 117.26 2ony s LEU 673 Ca 0.70 -0.55 -0.12 0.00 -1.03 0.00 0.00 54.13 53.13 2ony s LEU 673 Cb -0.27 -1.44 -0.07 0.00 0.03 0.00 0.00 46.19 44.44 2ony s LEU 673 CO 0.28 0.22 0.75 -2.16 0.23 0.00 0.00 176.35 175.66 2ony s PRO 674 N -1.75 3.86 0.64 1.29 0.04 -1.26 -5.15 135.00 132.67 2ony s PRO 674 Ca 0.15 0.53 -0.12 0.00 0.04 0.00 0.00 61.00 61.60 2ony s PRO 674 Cb -0.10 -2.42 -0.02 0.00 0.04 0.00 0.00 34.50 32.00 2ony s PRO 674 CO 0.06 0.05 1.04 0.00 0.04 0.00 0.00 177.00 178.20 2ony s ALA 675 N -2.20 2.84 -0.35 8.56 0.00 0.08 -4.67 121.76 126.02 2ony s ALA 675 Ca 0.52 0.11 0.22 0.00 0.00 0.00 0.00 51.96 52.81 2ony s ALA 675 Cb -0.10 -3.16 0.20 0.00 0.00 0.00 0.00 23.12 20.06 2ony s ALA 675 CO 0.26 -0.90 1.40 -0.44 0.00 0.00 0.00 175.76 176.08 2ony h ASP 676 N -0.21 0.00 -5.03 0.00 5.19 -1.50 -1.64 116.42 113.23 2ony h ASP 676 Ca -0.45 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 55.89 2ony h ASP 676 Cb 1.20 0.00 -0.16 0.00 0.18 0.00 0.00 39.33 40.55 2ony h ASP 676 CO 0.59 0.06 -0.03 0.00 -3.12 0.00 0.00 179.24 176.74 2ony s ALA 677 N -3.22 -1.17 0.02 3.45 0.00 -1.11 -2.58 121.76 117.16 2ony s ALA 677 Ca 0.04 0.44 0.06 0.00 0.00 0.00 0.00 51.96 52.50 2ony s ALA 677 Cb 0.07 0.37 -0.02 0.00 0.00 0.00 0.00 23.12 23.54 2ony s ALA 677 CO 0.72 -0.49 -0.17 -0.51 0.00 0.00 0.00 175.76 175.31 2ony s LEU 678 N -2.01 2.12 -0.05 0.00 1.43 0.01 -1.62 118.68 118.56 2ony s LEU 678 Ca -0.05 -0.41 0.02 0.00 -1.03 0.00 0.00 54.13 52.65 2ony s LEU 678 Cb -0.01 -0.80 0.02 0.00 0.03 0.00 0.00 46.19 45.43 2ony s LEU 678 CO -0.02 0.13 -0.07 -0.69 0.23 0.00 0.00 176.35 175.93 2ony s VAL 679 N -0.66 0.74 -0.18 -1.59 1.01 -0.47 -0.40 120.40 118.85 2ony s VAL 679 Ca 0.05 -0.26 -0.05 0.00 0.00 0.00 0.00 61.98 61.72 2ony s VAL 679 Cb -0.07 -0.71 0.09 0.00 0.00 0.00 0.00 36.38 35.68 2ony s VAL 679 CO 0.01 0.26 0.34 -0.55 0.00 0.00 0.00 175.10 175.16 2ony s SER 680 N 0.72 0.19 -0.09 3.32 0.15 -0.38 0.36 113.70 117.96 2ony s SER 680 Ca -0.11 0.61 0.03 0.00 0.70 0.00 0.00 55.95 57.18 2ony s SER 680 Cb -0.14 0.99 -0.01 0.00 -1.71 0.00 0.00 66.02 65.15 2ony s SER 680 CO 0.01 -0.25 -0.20 0.00 1.20 0.00 0.00 173.24 174.00 2ony s ALA 681 N 2.51 2.34 -1.59 5.45 0.00 -1.26 -1.28 121.76 127.92 2ony s ALA 681 Ca 0.03 -0.97 -0.07 0.00 0.00 0.00 0.00 51.96 50.94 2ony s ALA 681 Cb -0.13 -0.90 0.07 0.00 0.00 0.00 0.00 23.12 22.16 2ony s ALA 681 CO -0.12 0.34 0.37 1.19 0.00 0.00 0.00 175.76 177.54 2ony n PHE 682 N 3.27 -1.46 0.04 0.00 3.01 0.23 -4.86 117.46 117.69 2ony n PHE 682 Ca -0.18 0.70 -0.01 0.00 1.01 0.00 0.00 57.45 58.97 2ony n PHE 682 Cb 0.53 -2.97 -0.00 0.00 -0.01 0.00 0.00 39.48 37.03 2ony n PHE 682 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2ony h LEU 684 N -0.07 -0.89 -0.94 0.00 3.38 -1.92 -0.54 115.31 114.33 2ony h LEU 684 Ca 0.00 0.21 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 2ony h LEU 684 Cb 0.07 0.49 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 2ony h LEU 684 CO 0.00 -0.27 -0.04 1.05 0.09 0.00 0.00 178.44 179.28 2ony h GLU 685 N -0.10 0.00 -0.22 1.13 9.09 -1.91 -2.89 114.58 119.68 2ony h GLU 685 Ca 0.26 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.67 2ony h GLU 685 Cb 0.52 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.62 2ony h GLU 685 CO -0.66 0.04 0.00 0.00 0.05 0.00 0.00 179.01 178.44 2ony n ALA 686 N -2.11 2.50 -0.86 1.06 0.00 -0.24 -3.07 120.51 117.78 2ony n ALA 686 Ca 0.02 -0.56 0.00 0.00 0.00 0.00 0.00 53.44 52.90 2ony n ALA 686 Cb 0.40 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.79 2ony n ALA 686 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2ony n VAL 687 N 0.41 0.09 -4.03 0.00 0.24 -1.00 -4.86 118.33 109.18 2ony n VAL 687 Ca 0.15 -0.11 -0.35 0.00 -2.04 0.00 0.00 64.34 61.99 2ony n VAL 687 Cb 0.33 1.27 -0.13 0.00 -1.47 0.00 0.00 33.84 33.84 2ony n VAL 687 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 2ony s SER 688 N -0.09 4.69 0.16 -1.34 0.01 -1.10 -4.94 113.70 111.10 2ony s SER 688 Ca 0.00 -0.25 -0.15 0.00 1.31 0.00 0.00 55.95 56.85 2ony s SER 688 Cb 0.00 -1.80 0.09 0.00 0.21 0.00 0.00 66.02 64.52 2ony s SER 688 CO 0.00 0.04 1.76 -0.65 0.41 0.00 0.00 173.24 174.79 2ony h PRO 689 N 7.69 0.32 -4.48 12.44 0.11 -1.91 -3.20 132.00 142.96 2ony h PRO 689 Ca -0.37 -0.02 -0.26 0.00 0.11 0.00 0.00 66.00 65.46 2ony h PRO 689 Cb 1.17 -0.07 -0.13 0.00 0.11 0.00 0.00 31.00 32.08 2ony h PRO 689 CO 0.60 0.21 -0.48 0.16 -0.21 0.00 0.00 178.00 178.28 2ony s ASP 690 N -5.39 0.50 0.41 -2.05 3.84 -1.26 -4.46 116.67 108.26 2ony s ASP 690 Ca -0.13 -1.41 0.15 0.00 -0.00 0.00 0.00 52.55 51.16 2ony s ASP 690 Cb 0.13 0.47 1.03 0.00 -1.38 0.00 0.00 42.92 43.17 2ony s ASP 690 CO 0.72 -0.97 1.89 0.25 -0.00 0.00 0.00 175.17 177.05 2ony h LEU 691 N 2.42 0.44 -0.99 2.11 5.85 -1.94 -0.34 115.31 122.86 2ony h LEU 691 Ca -0.32 0.03 -0.09 0.00 0.84 0.00 0.00 57.88 58.35 2ony h LEU 691 Cb 1.25 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.21 2ony h LEU 691 CO 0.46 0.21 -0.25 0.00 -0.34 0.00 0.00 178.44 178.51 2ony h ALA 692 N 1.62 1.15 -0.31 1.25 0.00 -1.99 -1.21 119.26 119.78 2ony h ALA 692 Ca 0.42 -0.34 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 2ony h ALA 692 Cb 0.95 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 2ony h ALA 692 CO -0.15 0.54 -0.11 1.03 0.00 0.00 0.00 179.25 180.55 2ony h SER 693 N 0.38 0.63 0.08 0.00 0.87 -1.48 -1.66 113.55 112.38 2ony h SER 693 Ca 0.06 -0.39 0.02 0.00 -1.23 0.00 0.00 61.79 60.25 2ony h SER 693 Cb 0.65 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 62.40 2ony h SER 693 CO 0.05 0.88 -0.21 0.15 -0.53 0.00 0.00 176.83 177.16 2ony h PHE 694 N 0.39 -0.56 -0.48 2.24 3.57 -1.10 0.61 116.94 121.61 2ony h PHE 694 Ca 0.07 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.65 2ony h PHE 694 Cb 0.62 0.24 -0.05 0.00 2.79 0.00 0.00 35.95 39.54 2ony h PHE 694 CO 0.06 -0.30 0.18 0.37 -2.23 0.00 0.00 178.31 176.38 2ony h GLN 695 N -0.38 0.35 -0.72 1.11 5.75 -1.15 -0.66 115.11 119.42 2ony h GLN 695 Ca 0.04 -0.02 -0.07 0.00 -0.15 0.00 0.00 58.65 58.44 2ony h GLN 695 Cb 0.42 -0.08 -0.03 0.00 1.07 0.00 0.00 27.48 28.86 2ony h GLN 695 CO -0.14 0.23 0.18 0.00 -2.65 0.00 0.00 178.83 176.45 2ony h ARG 696 N 0.36 1.15 -0.53 1.69 3.08 -0.90 -1.11 114.38 118.12 2ony h ARG 696 Ca 0.23 -0.28 0.00 0.00 0.07 0.00 0.00 59.98 60.00 2ony h ARG 696 Cb 0.22 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.09 2ony h ARG 696 CO -0.22 1.01 0.34 0.00 -1.07 0.00 0.00 179.97 180.02 2ony h ALA 697 N 1.09 0.67 -0.73 0.04 0.00 -0.34 -1.04 119.26 118.96 2ony h ALA 697 Ca 0.23 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 2ony h ALA 697 Cb 0.37 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 2ony h ALA 697 CO 0.00 0.14 0.39 1.25 0.00 0.00 0.00 179.25 181.03 2ony h LEU 698 N 0.71 0.90 -1.06 0.00 5.85 -0.74 -1.64 115.31 119.33 2ony h LEU 698 Ca 0.19 -0.07 -0.08 0.00 0.84 0.00 0.00 57.88 58.76 2ony h LEU 698 Cb -0.05 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.74 2ony h LEU 698 CO -0.04 0.73 -0.22 0.44 -0.34 0.00 0.00 178.44 179.01 2ony h ASP 699 N 1.02 0.40 0.06 1.25 3.32 -0.53 -2.24 116.42 119.70 2ony h ASP 699 Ca 0.26 -0.12 -0.00 0.00 0.02 0.00 0.00 57.03 57.18 2ony h ASP 699 Cb 0.03 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.47 2ony h ASP 699 CO -0.04 0.63 -0.03 0.45 -1.72 0.00 0.00 179.24 178.53 2ony h HIS 700 N 0.37 -0.07 0.00 4.55 3.86 -0.34 -3.13 115.15 120.39 2ony h HIS 700 Ca 0.06 -0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.22 2ony h HIS 700 Cb 0.59 0.02 -0.01 0.00 1.06 0.00 0.00 27.41 29.07 2ony h HIS 700 CO 0.02 0.35 -0.22 -0.84 0.86 0.00 0.00 177.93 178.09 2ony h ILE 701 N -0.51 0.88 0.00 2.45 3.07 -1.32 -2.33 117.51 119.76 2ony h ILE 701 Ca -0.01 -0.83 -0.04 0.00 1.55 0.00 0.00 64.86 65.53 2ony h ILE 701 Cb 0.45 1.48 -0.01 0.00 -0.27 0.00 0.00 36.82 38.48 2ony h ILE 701 CO 0.01 0.21 -0.19 0.74 -1.05 0.00 0.00 178.15 177.88 2ony h THR 702 N 0.00 0.89 0.00 0.16 2.02 -1.37 -1.28 112.91 113.33 2ony h THR 702 Ca -0.00 -0.71 0.00 0.00 0.77 0.00 0.00 66.41 66.46 2ony h THR 702 Cb 0.47 1.41 0.00 0.00 -1.74 0.00 0.00 68.15 68.29 2ony h THR 702 CO 0.03 0.19 0.00 0.71 0.37 0.00 0.00 175.52 176.81 2ony h THR 703 N 0.00 0.00 0.00 3.16 1.35 -1.36 -1.45 112.91 114.61 2ony h THR 703 Ca -0.00 -0.22 0.00 0.00 -0.55 0.00 0.00 66.41 65.63 2ony h THR 703 Cb 0.40 1.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.82 2ony h THR 703 CO 0.02 0.00 -0.40 0.18 -0.25 0.00 0.00 175.52 175.07 2ony n LEU 704 N -2.56 0.56 -4.86 3.87 4.77 -0.48 -4.85 117.00 113.45 2ony n LEU 704 Ca 0.00 0.26 -0.37 0.00 -0.03 0.00 0.00 56.01 55.88 2ony n LEU 704 Cb 0.19 -0.27 -0.06 0.00 -2.33 0.00 0.00 43.42 40.95 2ony n LEU 704 CO 0.20 -0.02 -0.09 -0.22 -1.33 0.00 0.00 177.39 175.93 2ony s LEU 705 N -3.78 4.40 0.56 2.23 2.96 -0.55 -0.75 118.68 123.76 2ony s LEU 705 Ca 0.09 0.61 -0.16 0.00 -0.22 0.00 0.00 54.13 54.45 2ony s LEU 705 Cb 0.15 -2.23 -0.06 0.00 0.50 0.00 0.00 46.19 44.55 2ony s LEU 705 CO 0.67 0.37 1.02 0.00 -1.32 0.00 0.00 176.35 177.09 2ony s ARG 706 N -0.94 3.61 0.16 1.98 1.70 -0.62 -4.86 118.95 119.99 2ony s ARG 706 Ca 0.17 1.09 -0.32 0.00 -0.47 0.00 0.00 55.73 56.21 2ony s ARG 706 Cb -0.13 -2.08 -0.11 0.00 -0.57 0.00 0.00 34.95 32.05 2ony s ARG 706 CO 0.06 -0.56 1.79 -2.30 -1.08 0.00 0.00 175.30 173.21 2ony n PRO 707 N -1.82 2.80 -0.50 3.89 -0.02 -1.26 -0.35 135.00 137.74 2ony n PRO 707 Ca 0.08 1.01 0.00 0.00 -2.02 0.00 0.00 63.50 62.57 2ony n PRO 707 Cb 0.53 -2.89 0.00 0.00 -0.02 0.00 0.00 33.50 31.12 2ony n PRO 707 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ony n GLY 708 N 4.12 0.75 3.90 -1.23 0.00 0.15 -4.74 105.19 108.14 2ony n GLY 708 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 2ony n GLY 708 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2ony s GLY 709 N -1.62 1.62 0.08 -0.02 0.00 0.53 -4.68 107.32 103.22 2ony s GLY 709 Ca 0.00 -0.73 0.08 0.00 0.00 0.00 0.00 44.72 44.07 2ony s GLY 709 CO 0.00 -0.19 -0.16 0.30 0.00 0.00 0.00 173.10 173.05 2ony s HIS 710 N -3.61 2.60 -0.11 1.90 3.76 -1.06 -0.22 115.29 118.55 2ony s HIS 710 Ca 0.64 -0.23 0.02 0.00 -0.15 0.00 0.00 55.06 55.34 2ony s HIS 710 Cb -0.10 -1.42 0.01 0.00 1.11 0.00 0.00 32.58 32.18 2ony s HIS 710 CO 0.50 0.34 -0.18 -1.17 -0.85 0.00 0.00 174.74 173.38 2ony s LEU 711 N -1.84 1.85 -0.36 0.89 2.96 0.20 -0.81 118.68 121.58 2ony s LEU 711 Ca 0.17 -0.47 -0.06 0.00 -0.22 0.00 0.00 54.13 53.55 2ony s LEU 711 Cb -0.11 -1.19 0.05 0.00 0.50 0.00 0.00 46.19 45.45 2ony s LEU 711 CO 0.09 0.05 0.13 -0.76 -1.32 0.00 0.00 176.35 174.54 2ony s LEU 712 N 0.82 4.51 -0.20 -0.68 1.43 0.46 -1.18 118.68 123.84 2ony s LEU 712 Ca -0.09 -1.31 -0.03 0.00 -1.03 0.00 0.00 54.13 51.67 2ony s LEU 712 Cb -0.16 -1.87 -0.01 0.00 0.03 0.00 0.00 46.19 44.19 2ony s LEU 712 CO 0.01 -0.38 -0.08 -0.22 0.23 0.00 0.00 176.35 175.91 2ony s LEU 713 N 1.36 2.77 -0.08 1.79 2.96 0.07 -1.25 118.68 126.30 2ony s LEU 713 Ca -0.00 -0.41 0.04 0.00 -0.22 0.00 0.00 54.13 53.54 2ony s LEU 713 Cb -0.20 -1.68 -0.01 0.00 0.50 0.00 0.00 46.19 44.79 2ony s LEU 713 CO 0.02 0.02 -0.21 -0.63 -1.32 0.00 0.00 176.35 174.22 2ony s ILE 714 N 1.22 2.34 0.31 6.68 1.01 -0.41 0.80 121.20 133.16 2ony s ILE 714 Ca 0.02 -0.95 -0.19 0.00 0.00 0.00 0.00 60.65 59.54 2ony s ILE 714 Cb -0.14 -1.90 0.03 0.00 0.01 0.00 0.00 42.46 40.46 2ony s ILE 714 CO -0.03 0.56 0.74 -0.83 0.00 0.00 0.00 174.94 175.38 2ony s GLY 715 N 0.03 0.06 0.17 6.18 0.00 -0.53 0.78 107.32 114.02 2ony s GLY 715 Ca -0.08 -0.45 -0.26 0.00 0.00 0.00 0.00 44.72 43.93 2ony s GLY 715 CO 0.05 -0.16 0.78 0.00 0.00 0.00 0.00 173.10 173.77 2ony s ALA 716 N -3.41 3.44 -0.15 3.20 0.00 -1.26 -0.90 121.76 122.69 2ony s ALA 716 Ca 0.12 0.37 -0.06 0.00 0.00 0.00 0.00 51.96 52.40 2ony s ALA 716 Cb -0.06 -2.97 -0.04 0.00 0.00 0.00 0.00 23.12 20.06 2ony s ALA 716 CO 0.08 0.29 0.07 -0.51 0.00 0.00 0.00 175.76 175.69 2ony s LEU 717 N -1.14 3.90 -1.46 0.00 1.43 0.94 -4.57 118.68 117.78 2ony s LEU 717 Ca 0.36 0.19 -0.05 0.00 -1.03 0.00 0.00 54.13 53.59 2ony s LEU 717 Cb -0.23 -1.96 0.04 0.00 0.03 0.00 0.00 46.19 44.07 2ony s LEU 717 CO 0.26 0.27 0.59 -0.62 0.23 0.00 0.00 176.35 177.09 2ony n GLU 718 N 2.89 -3.77 -4.41 1.70 -0.58 0.97 -1.83 120.64 115.61 2ony n GLU 718 Ca -0.18 0.45 -0.34 0.00 -0.42 0.00 0.00 57.16 56.68 2ony n GLU 718 Cb 0.53 -4.84 -0.10 0.00 -0.57 0.00 0.00 31.44 26.47 2ony n GLU 718 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 2ony s GLU 719 N -6.55 2.86 0.00 3.49 2.12 -1.26 -4.12 118.70 115.23 2ony s GLU 719 Ca 0.22 -0.51 0.00 0.00 0.36 0.00 0.00 54.97 55.04 2ony s GLU 719 Cb -0.11 -2.70 0.00 0.00 0.26 0.00 0.00 34.13 31.57 2ony s GLU 719 CO 0.88 0.67 0.00 -1.13 -0.54 0.00 0.00 175.26 175.14 2ony n SER 720 N 1.93 1.01 -3.56 -1.70 3.41 -1.25 -1.93 113.62 111.53 2ony n SER 720 Ca -0.17 -0.34 -0.13 0.00 -0.26 0.00 0.00 58.87 57.97 2ony n SER 720 Cb 0.53 0.87 -0.05 0.00 -0.26 0.00 0.00 64.21 65.30 2ony n SER 720 CO 0.00 0.00 0.00 -1.66 -0.16 0.00 0.00 175.04 173.22 2ony s TRP 721 N -1.08 -0.47 0.06 7.33 1.48 -1.25 -0.88 118.94 124.13 2ony s TRP 721 Ca 0.00 0.79 -0.18 0.00 -1.06 0.00 0.00 56.10 55.66 2ony s TRP 721 Cb 0.00 0.44 0.04 0.00 -1.16 0.00 0.00 33.47 32.78 2ony s TRP 721 CO 0.00 -0.43 0.41 1.52 -4.06 0.00 0.00 176.95 174.38 2ony s TYR 722 N -1.16 -0.25 -0.11 1.66 -0.85 -0.85 -2.27 117.35 113.52 2ony s TYR 722 Ca -0.05 0.16 -0.04 0.00 -0.52 0.00 0.00 57.07 56.61 2ony s TYR 722 Cb -0.00 0.22 -0.04 0.00 0.38 0.00 0.00 41.96 42.52 2ony s TYR 722 CO 0.04 -0.59 0.07 -0.51 -1.52 0.00 0.00 175.55 173.04 2ony s LEU 723 N -2.15 3.96 -0.37 -3.49 1.43 0.19 -0.92 118.68 117.32 2ony s LEU 723 Ca -0.04 0.29 0.13 0.00 -1.03 0.00 0.00 54.13 53.49 2ony s LEU 723 Cb -0.00 -1.94 0.42 0.00 0.03 0.00 0.00 46.19 44.69 2ony s LEU 723 CO -0.04 0.38 0.93 0.00 0.23 0.00 0.00 176.35 177.85 2ony n ALA 724 N 2.14 3.49 0.00 4.21 0.00 0.12 -4.74 120.51 125.73 2ony n ALA 724 Ca -0.19 -3.54 0.00 0.00 0.00 0.00 0.00 53.44 49.71 2ony n ALA 724 Cb 0.54 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 19.14 2ony n ALA 724 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ony n GLY 725 N -0.07 0.81 0.15 0.00 0.00 -1.26 -0.83 105.19 103.98 2ony n GLY 725 Ca 0.20 -1.16 0.05 0.00 0.00 0.00 0.00 46.02 45.11 2ony n GLY 725 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2ony h GLU 726 N 0.00 0.00 -6.68 1.61 4.39 -1.97 -3.44 114.58 108.49 2ony h GLU 726 Ca 0.00 0.00 -0.56 0.00 0.34 0.00 0.00 59.36 59.14 2ony h GLU 726 Cb 0.00 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 28.58 2ony h GLU 726 CO 0.00 0.33 0.95 0.00 -1.16 0.00 0.00 179.01 179.13 2ony s ALA 727 N -3.04 3.14 -0.45 3.43 0.00 -1.25 -4.99 121.76 118.60 2ony s ALA 727 Ca 0.04 -0.42 -0.13 0.00 0.00 0.00 0.00 51.96 51.44 2ony s ALA 727 Cb 0.07 -3.90 0.07 0.00 0.00 0.00 0.00 23.12 19.36 2ony s ALA 727 CO 0.74 -2.27 0.34 0.50 0.00 0.00 0.00 175.76 175.07 2ony s ARG 728 N 4.52 2.86 0.19 0.00 3.52 -1.26 -0.70 118.95 128.07 2ony s ARG 728 Ca 0.50 -1.37 -0.04 0.00 -0.13 0.00 0.00 55.73 54.70 2ony s ARG 728 Cb -0.08 -4.00 -0.05 0.00 -1.56 0.00 0.00 34.95 29.25 2ony s ARG 728 CO 0.32 -0.99 0.41 -0.51 -0.81 0.00 0.00 175.30 173.73 2ony s LEU 729 N 1.57 4.22 -0.17 -0.88 1.02 -0.10 -4.91 118.68 119.43 2ony s LEU 729 Ca 0.04 0.56 -0.13 0.00 0.02 0.00 0.00 54.13 54.61 2ony s LEU 729 Cb -0.24 -3.31 -0.05 0.00 0.02 0.00 0.00 46.19 42.61 2ony s LEU 729 CO 0.05 -0.02 0.27 -0.89 0.02 0.00 0.00 176.35 175.78 2ony s THR 730 N -1.80 5.32 0.01 5.49 2.01 -1.26 -2.02 115.64 123.40 2ony s THR 730 Ca 0.41 0.49 0.08 0.00 0.31 0.00 0.00 61.69 62.98 2ony s THR 730 Cb -0.11 -3.60 -0.02 0.00 0.01 0.00 0.00 72.50 68.77 2ony s THR 730 CO 0.27 0.40 -0.26 -0.69 -0.69 0.00 0.00 174.62 173.65 2ony s VAL 731 N 0.43 2.04 -0.31 3.82 1.01 -0.06 -4.76 120.40 122.57 2ony s VAL 731 Ca 0.15 -1.22 -0.29 0.00 0.00 0.00 0.00 61.98 60.62 2ony s VAL 731 Cb -0.13 -1.72 0.01 0.00 0.00 0.00 0.00 36.38 34.54 2ony s VAL 731 CO 0.03 0.46 1.17 0.54 0.00 0.00 0.00 175.10 177.30 2ony s VAL 732 N -0.70 4.35 0.09 2.92 0.11 -1.18 -3.96 120.40 122.04 2ony s VAL 732 Ca 0.10 1.54 -0.31 0.00 -2.93 0.00 0.00 61.98 60.39 2ony s VAL 732 Cb -0.10 -4.32 -0.07 0.00 -1.53 0.00 0.00 36.38 30.36 2ony s VAL 732 CO 0.00 -0.49 1.41 -2.16 -3.33 0.00 0.00 175.10 170.54 2ony s PRO 733 N 3.87 4.30 0.29 1.54 0.04 -0.81 -4.69 135.00 139.54 2ony s PRO 733 Ca 0.50 2.08 0.09 0.00 0.04 0.00 0.00 61.00 63.70 2ony s PRO 733 Cb -0.14 -3.33 -0.06 0.00 0.04 0.00 0.00 34.50 31.01 2ony s PRO 733 CO 0.19 -0.49 -0.10 0.14 0.04 0.00 0.00 177.00 176.78 2ony s VAL 734 N 1.46 1.99 0.43 -0.36 -7.23 -1.26 -4.81 120.40 110.62 2ony s VAL 734 Ca 0.65 -2.21 0.06 0.00 -1.81 0.00 0.00 61.98 58.68 2ony s VAL 734 Cb -0.36 -2.45 -0.07 0.00 0.56 0.00 0.00 36.38 34.06 2ony s VAL 734 CO 0.30 -0.31 0.04 -0.94 -0.31 0.00 0.00 175.10 173.87 2ony s SER 735 N -3.50 4.00 0.17 4.85 1.04 -1.26 -0.02 113.70 118.98 2ony s SER 735 Ca 0.30 -1.37 -0.15 0.00 0.48 0.00 0.00 55.95 55.21 2ony s SER 735 Cb 0.01 -0.27 0.06 0.00 0.10 0.00 0.00 66.02 65.92 2ony s SER 735 CO 0.13 -0.53 1.81 -0.08 0.98 0.00 0.00 173.24 175.56 2ony h GLU 736 N 1.65 0.55 -0.69 4.02 4.81 -1.99 -1.01 114.58 121.93 2ony h GLU 736 Ca -0.44 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 58.78 2ony h GLU 736 Cb 1.25 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 30.47 2ony h GLU 736 CO 0.78 0.37 0.44 0.93 -0.73 0.00 0.00 179.01 180.80 2ony h GLU 737 N 0.57 0.86 -0.55 1.92 5.08 -1.99 0.14 114.58 120.61 2ony h GLU 737 Ca 0.18 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.41 2ony h GLU 737 Cb -0.01 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.02 2ony h GLU 737 CO -0.07 0.57 0.05 0.93 -1.00 0.00 0.00 179.01 179.49 2ony h GLU 738 N 0.88 0.90 -0.47 2.33 5.08 -1.87 0.16 114.58 121.59 2ony h GLU 738 Ca 0.27 -0.23 -0.14 0.00 -1.00 0.00 0.00 59.36 58.26 2ony h GLU 738 Cb -0.03 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 2ony h GLU 738 CO -0.09 0.86 -0.25 0.28 -1.00 0.00 0.00 179.01 178.82 2ony h VAL 739 N 0.84 1.27 -0.19 3.13 2.07 -0.56 -1.42 116.25 121.39 2ony h VAL 739 Ca 0.17 -1.42 -0.02 0.00 0.82 0.00 0.00 66.70 66.25 2ony h VAL 739 Cb 0.43 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 2ony h VAL 739 CO 0.02 0.49 0.02 -0.09 0.02 0.00 0.00 177.57 178.03 2ony h ARG 740 N 0.84 0.32 -0.38 1.57 2.43 -0.37 -2.05 114.38 116.74 2ony h ARG 740 Ca 0.10 -0.09 0.03 0.00 -0.81 0.00 0.00 59.98 59.22 2ony h ARG 740 Cb 0.83 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.31 2ony h ARG 740 CO 0.07 0.49 0.18 1.49 -1.51 0.00 0.00 179.97 180.69 2ony h GLU 741 N 0.10 0.36 -0.51 0.20 4.57 -0.91 -1.56 114.58 116.83 2ony h GLU 741 Ca 0.06 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.21 2ony h GLU 741 Cb 0.33 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 28.81 2ony h GLU 741 CO 0.00 0.24 0.30 0.00 -1.18 0.00 0.00 179.01 178.37 2ony h ALA 742 N 1.21 1.57 -0.13 2.92 0.00 -1.15 0.31 119.26 123.99 2ony h ALA 742 Ca 0.16 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2ony h ALA 742 Cb 0.09 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2ony h ALA 742 CO -0.13 0.37 0.03 -0.07 0.00 0.00 0.00 179.25 179.45 2ony h LEU 743 N 0.70 0.20 -0.30 0.00 3.38 -0.62 -2.32 115.31 116.35 2ony h LEU 743 Ca 0.18 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 2ony h LEU 743 Cb -0.02 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 2ony h LEU 743 CO -0.03 0.39 0.17 0.58 0.09 0.00 0.00 178.44 179.64 2ony h VAL 744 N -0.00 1.13 0.00 1.22 2.07 -0.76 -1.87 116.25 118.04 2ony h VAL 744 Ca 0.04 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.23 2ony h VAL 744 Cb 0.27 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 2ony h VAL 744 CO 0.00 0.13 0.04 -1.14 0.02 0.00 0.00 177.57 176.62 2ony n ARG 745 N -4.81 0.11 -0.05 1.57 3.00 0.11 -0.80 116.66 115.79 2ony n ARG 745 Ca -0.02 0.60 0.10 0.00 -0.00 0.00 0.00 57.85 58.54 2ony n ARG 745 Cb 0.07 -1.90 0.11 0.00 0.00 0.00 0.00 32.46 30.75 2ony n ARG 745 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 2ony n SER 746 N -2.11 2.84 -0.17 6.15 7.64 -0.74 -4.96 113.62 122.27 2ony n SER 746 Ca -0.01 -1.86 0.00 0.00 1.01 0.00 0.00 58.87 58.00 2ony n SER 746 Cb 0.06 -0.07 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2ony n SER 746 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ony n GLY 747 N 1.17 1.05 3.45 0.23 0.00 0.02 -4.96 105.19 106.15 2ony n GLY 747 Ca 0.13 -0.35 -0.28 0.00 0.00 0.00 0.00 46.02 45.52 2ony n GLY 747 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2ony s TYR 748 N -2.33 2.39 -0.21 1.61 2.02 -0.96 -0.44 117.35 119.42 2ony s TYR 748 Ca 0.00 -0.33 -0.07 0.00 -0.37 0.00 0.00 57.07 56.31 2ony s TYR 748 Cb 0.00 -1.22 -0.03 0.00 -0.40 0.00 0.00 41.96 40.31 2ony s TYR 748 CO 0.00 0.45 0.05 0.21 -1.57 0.00 0.00 175.55 174.68 2ony s LYS 749 N -2.48 3.74 -0.35 -0.62 2.20 -0.27 -4.18 119.74 117.79 2ony s LYS 749 Ca 0.19 -0.45 -0.29 0.00 -0.36 0.00 0.00 55.97 55.06 2ony s LYS 749 Cb -0.09 -3.21 0.02 0.00 -1.51 0.00 0.00 37.83 33.04 2ony s LYS 749 CO 0.10 0.02 1.09 0.08 -0.36 0.00 0.00 175.35 176.28 2ony s VAL 750 N 1.03 4.44 -0.01 4.02 1.01 -1.26 -1.54 120.40 128.10 2ony s VAL 750 Ca 0.03 1.63 0.08 0.00 0.00 0.00 0.00 61.98 63.73 2ony s VAL 750 Cb -0.14 -4.45 -0.23 0.00 0.00 0.00 0.00 36.38 31.55 2ony s VAL 750 CO 0.03 -0.59 0.79 0.03 0.00 0.00 0.00 175.10 175.35 2ony h ARG 751 N 8.33 0.05 -1.74 2.72 2.47 -1.05 -3.48 114.38 121.69 2ony h ARG 751 Ca -0.21 -0.08 0.05 0.00 -1.26 0.00 0.00 59.98 58.49 2ony h ARG 751 Cb 1.06 0.03 -0.24 0.00 -1.65 0.00 0.00 29.97 29.16 2ony h ARG 751 CO 1.05 0.71 0.27 0.34 0.56 0.00 0.00 179.97 182.90 2ony s ASP 752 N -6.37 -0.64 -0.18 7.04 2.15 -0.95 -4.98 116.67 112.74 2ony s ASP 752 Ca -0.05 1.10 -0.04 0.00 0.43 0.00 0.00 52.55 53.99 2ony s ASP 752 Cb 0.08 1.21 0.08 0.00 -0.30 0.00 0.00 42.92 43.99 2ony s ASP 752 CO 0.82 -0.18 0.17 -0.22 -0.17 0.00 0.00 175.17 175.59 2ony s LEU 753 N 1.01 0.07 0.17 -1.34 2.96 -1.26 0.07 118.68 120.37 2ony s LEU 753 Ca -0.05 -0.33 0.10 0.00 -0.22 0.00 0.00 54.13 53.63 2ony s LEU 753 Cb -0.05 0.14 -0.04 0.00 0.50 0.00 0.00 46.19 46.74 2ony s LEU 753 CO -0.12 -0.33 -0.21 0.00 -1.32 0.00 0.00 176.35 174.37 2ony s ARG 754 N 2.25 1.37 0.07 1.98 1.70 -0.33 -4.96 118.95 121.03 2ony s ARG 754 Ca 0.05 -1.44 0.08 0.00 -0.47 0.00 0.00 55.73 53.95 2ony s ARG 754 Cb -0.16 -1.58 -0.03 0.00 -0.57 0.00 0.00 34.95 32.61 2ony s ARG 754 CO -0.10 0.34 -0.18 0.99 -1.08 0.00 0.00 175.30 175.26 2ony s THR 755 N -1.78 2.79 -0.12 4.99 2.01 -1.26 -0.65 115.64 121.62 2ony s THR 755 Ca 0.17 -1.31 0.02 0.00 0.31 0.00 0.00 61.69 60.88 2ony s THR 755 Cb -0.07 -2.21 0.02 0.00 0.01 0.00 0.00 72.50 70.24 2ony s THR 755 CO 0.08 0.25 -0.16 -0.47 -0.69 0.00 0.00 174.62 173.63 2ony s TYR 756 N -1.00 2.06 -0.31 4.92 5.04 0.27 -4.96 117.35 123.38 2ony s TYR 756 Ca 0.16 -1.00 -0.20 0.00 -2.44 0.00 0.00 57.07 53.59 2ony s TYR 756 Cb -0.10 -1.48 -0.01 0.00 0.35 0.00 0.00 41.96 40.71 2ony s TYR 756 CO 0.07 -0.52 0.60 0.42 -1.34 0.00 0.00 175.55 174.79 2ony s ILE 757 N 1.05 4.96 -0.04 3.14 1.01 -1.26 0.71 121.20 130.77 2ony s ILE 757 Ca -0.05 0.80 -0.30 0.00 0.00 0.00 0.00 60.65 61.11 2ony s ILE 757 Cb -0.15 -3.98 -0.08 0.00 0.01 0.00 0.00 42.46 38.27 2ony s ILE 757 CO -0.03 -0.12 1.98 -0.32 0.00 0.00 0.00 174.94 176.45 2ony s MET 758 N 2.55 3.91 0.70 2.79 -2.45 -0.81 -4.95 119.30 121.05 2ony s MET 758 Ca 0.24 2.41 -0.16 0.00 -1.25 0.00 0.00 55.69 56.93 2ony s MET 758 Cb -0.15 -4.19 0.02 0.00 1.25 0.00 0.00 34.83 31.76 2ony s MET 758 CO 0.12 -1.21 1.25 -2.14 1.05 0.00 0.00 175.02 174.09 2ony s PRO 759 N 4.84 2.27 0.23 4.11 0.02 -1.26 -4.88 135.00 140.33 2ony s PRO 759 Ca 0.89 1.91 -0.07 0.00 0.02 0.00 0.00 61.00 63.75 2ony s PRO 759 Cb -0.39 -1.83 0.28 0.00 0.02 0.00 0.00 34.50 32.58 2ony s PRO 759 CO 0.39 -1.77 1.84 0.00 -0.33 0.00 0.00 177.00 177.13 2ony h ALA 760 N 0.04 1.06 0.00 -1.55 0.00 -1.95 -1.47 119.26 115.39 2ony h ALA 760 Ca -0.49 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2ony h ALA 760 Cb 1.32 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2ony h ALA 760 CO 0.51 0.22 0.00 -2.39 0.00 0.00 0.00 179.25 177.59 2ony n HIS 761 N -4.66 0.00 0.45 0.00 1.44 -1.26 -1.56 115.22 109.63 2ony n HIS 761 Ca 0.10 0.00 0.05 0.00 -2.01 0.00 0.00 57.72 55.86 2ony n HIS 761 Cb 0.15 -0.19 0.00 0.00 0.12 0.00 0.00 29.99 30.08 2ony n HIS 761 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2ony n LEU 762 N -1.19 1.31 -4.47 2.39 4.77 -0.57 -4.73 117.00 114.51 2ony n LEU 762 Ca 0.08 -0.80 -0.44 0.00 -0.03 0.00 0.00 56.01 54.82 2ony n LEU 762 Cb 0.09 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.17 2ony n LEU 762 CO 0.09 0.26 1.36 -1.10 -1.33 0.00 0.00 177.39 176.67 2ony s GLN 763 N -1.32 3.97 -0.07 3.23 -0.21 -0.60 -4.82 119.66 119.84 2ony s GLN 763 Ca 0.09 -2.32 0.13 0.00 0.02 0.00 0.00 55.36 53.27 2ony s GLN 763 Cb 0.08 -5.08 0.49 0.00 1.00 0.00 0.00 33.01 29.50 2ony s GLN 763 CO 0.24 -1.82 1.35 0.25 -2.12 0.00 0.00 175.29 173.20 2ony n THR 764 N 5.00 1.19 -0.86 -0.19 -2.24 -1.26 -4.93 114.28 111.00 2ony n THR 764 Ca 0.35 -0.79 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 2ony n THR 764 Cb 0.45 0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.70 2ony n THR 764 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ony n GLY 765 N 0.91 0.84 0.22 3.38 0.00 -1.26 -4.86 105.19 104.41 2ony n GLY 765 Ca 0.18 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.31 2ony n GLY 765 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2ony h VAL 766 N 0.00 0.08 -2.14 1.61 -1.51 -1.93 -3.47 116.25 108.89 2ony h VAL 766 Ca 0.00 -1.07 0.02 0.00 -1.23 0.00 0.00 66.70 64.42 2ony h VAL 766 Cb 0.00 1.99 -0.00 0.00 -2.13 0.00 0.00 31.29 31.15 2ony h VAL 766 CO 0.00 0.05 0.13 -0.90 -1.23 0.00 0.00 177.57 175.62 2ony n ASP 767 N -3.11 -0.66 -0.93 4.19 3.85 -1.26 0.53 116.55 119.14 2ony n ASP 767 Ca 0.04 -1.42 0.03 0.00 -0.71 0.00 0.00 54.79 52.73 2ony n ASP 767 Cb 0.53 1.09 0.15 0.00 -1.35 0.00 0.00 41.12 41.55 2ony n ASP 767 CO 0.00 0.00 0.00 -0.90 -1.01 0.00 0.00 177.20 175.29 2ony n ASP 768 N -1.02 1.81 -4.74 -1.12 3.85 -0.96 -4.83 116.55 109.53 2ony n ASP 768 Ca -0.02 -3.48 -0.42 0.00 -0.71 0.00 0.00 54.79 50.17 2ony n ASP 768 Cb 0.19 -0.47 -0.02 0.00 -1.35 0.00 0.00 41.12 39.47 2ony n ASP 768 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 2ony s VAL 769 N -2.71 2.27 -0.13 2.12 0.11 -1.26 -4.58 120.40 116.23 2ony s VAL 769 Ca 0.38 0.23 0.19 0.00 -2.93 0.00 0.00 61.98 59.84 2ony s VAL 769 Cb 0.38 -3.14 -0.21 0.00 -1.53 0.00 0.00 36.38 31.88 2ony s VAL 769 CO -0.08 0.03 0.56 0.29 -3.33 0.00 0.00 175.10 172.58 2ony n LYS 770 N 2.47 0.65 -3.75 1.54 4.76 -0.76 -4.85 118.16 118.20 2ony n LYS 770 Ca 0.09 0.05 0.01 0.00 -2.87 0.00 0.00 58.31 55.59 2ony n LYS 770 Cb 0.38 -1.66 0.01 0.00 -1.84 0.00 0.00 35.03 31.92 2ony n LYS 770 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2ony n GLY 771 N 1.43 0.34 3.12 0.72 0.00 -1.20 -1.93 105.19 107.66 2ony n GLY 771 Ca -0.13 -1.05 -0.22 0.00 0.00 0.00 0.00 46.02 44.61 2ony n GLY 771 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ony s VAL 772 N -2.04 1.14 0.10 1.61 1.01 0.22 -0.04 120.40 122.40 2ony s VAL 772 Ca 0.26 -0.64 0.08 0.00 0.00 0.00 0.00 61.98 61.68 2ony s VAL 772 Cb -0.01 -0.96 -0.04 0.00 0.00 0.00 0.00 36.38 35.37 2ony s VAL 772 CO 0.01 0.30 -0.17 0.72 0.00 0.00 0.00 175.10 175.96 2ony s PHE 773 N -0.37 2.56 -0.11 5.22 -0.12 -0.08 0.98 117.98 126.06 2ony s PHE 773 Ca 0.05 -0.25 0.00 0.00 -0.05 0.00 0.00 56.93 56.68 2ony s PHE 773 Cb -0.06 -1.38 0.02 0.00 -0.63 0.00 0.00 43.02 40.98 2ony s PHE 773 CO -0.00 0.36 -0.09 0.12 -0.05 0.00 0.00 175.22 175.55 2ony s PHE 774 N -1.10 1.53 -0.05 3.49 5.36 0.18 -1.45 117.98 125.93 2ony s PHE 774 Ca 0.17 -0.74 0.06 0.00 -0.96 0.00 0.00 56.93 55.47 2ony s PHE 774 Cb -0.11 -1.23 -0.01 0.00 -0.34 0.00 0.00 43.02 41.33 2ony s PHE 774 CO 0.09 -0.48 -0.25 0.00 -1.46 0.00 0.00 175.22 173.13 2ony s ALA 775 N 1.48 2.19 -0.30 11.12 0.00 0.24 -1.19 121.76 135.30 2ony s ALA 775 Ca 0.01 -1.06 0.03 0.00 0.00 0.00 0.00 51.96 50.94 2ony s ALA 775 Cb -0.13 -0.67 0.08 0.00 0.00 0.00 0.00 23.12 22.39 2ony s ALA 775 CO -0.06 0.44 -0.03 -0.46 0.00 0.00 0.00 175.76 175.65 2ony s TRP 776 N -0.25 3.46 0.08 0.00 -0.00 0.11 -0.75 118.94 121.59 2ony s TRP 776 Ca -0.01 -2.52 0.08 0.00 -0.00 0.00 0.00 56.10 53.66 2ony s TRP 776 Cb -0.13 -2.35 -0.03 0.00 -0.00 0.00 0.00 33.47 30.95 2ony s TRP 776 CO 0.03 -0.90 -0.22 0.00 -0.00 0.00 0.00 176.95 175.86 2ony s ALA 777 N 1.05 1.89 -0.14 5.86 0.00 -0.33 -0.34 121.76 129.75 2ony s ALA 777 Ca -0.01 -1.21 0.01 0.00 0.00 0.00 0.00 51.96 50.74 2ony s ALA 777 Cb -0.20 -0.31 -0.01 0.00 0.00 0.00 0.00 23.12 22.61 2ony s ALA 777 CO -0.06 0.41 -0.16 -1.14 0.00 0.00 0.00 175.76 174.81 2ony s GLN 778 N -1.65 3.25 0.01 0.00 0.74 -0.59 0.60 119.66 122.03 2ony s GLN 778 Ca 0.08 -0.75 -0.30 0.00 0.05 0.00 0.00 55.36 54.44 2ony s GLN 778 Cb -0.10 -2.59 -0.07 0.00 1.10 0.00 0.00 33.01 31.35 2ony s GLN 778 CO 0.04 0.09 1.60 0.21 -0.55 0.00 0.00 175.29 176.67 2ony s LYS 779 N 0.64 4.21 0.06 1.67 2.20 0.70 -1.11 119.74 128.11 2ony s LYS 779 Ca -0.08 2.20 -0.30 0.00 -0.36 0.00 0.00 55.97 57.43 2ony s LYS 779 Cb -0.16 -3.73 -0.09 0.00 -1.51 0.00 0.00 37.83 32.34 2ony s LYS 779 CO 0.03 -0.74 1.89 0.08 -0.36 0.00 0.00 175.35 176.25 2ony s VAL 780 N 3.07 2.91 0.00 4.02 1.01 0.42 0.31 120.40 132.13 2ony s VAL 780 Ca 0.71 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.79 2ony s VAL 780 Cb -0.36 -3.06 0.00 0.00 0.00 0.00 0.00 36.38 32.96 2ony s VAL 780 CO 0.30 -0.01 0.00 0.61 0.00 0.00 0.00 175.10 176.00