#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h52 s THR 531 N 0.00 2.53 0.30 3.45 2.01 -1.26 -4.89 115.64 117.79 3h52 s THR 531 Ca 0.00 0.23 0.01 0.00 0.31 0.00 0.00 61.69 62.23 3h52 s THR 531 Cb 0.00 -2.65 0.28 0.00 0.01 0.00 0.00 72.50 70.14 3h52 s THR 531 CO 0.00 -0.17 1.91 0.25 -0.69 0.00 0.00 174.62 175.92 3h52 h LEU 532 N -0.72 0.90 -0.60 4.42 5.85 -2.05 -1.39 115.31 121.71 3h52 h LEU 532 Ca -0.46 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.23 3h52 h LEU 532 Cb 1.27 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 42.11 3h52 h LEU 532 CO 0.49 0.58 -0.17 1.62 -0.34 0.00 0.00 178.44 180.62 3h52 h VAL 533 N 1.02 0.33 -0.19 1.05 3.04 -1.98 -0.99 116.25 118.53 3h52 h VAL 533 Ca 0.38 -1.19 -0.04 0.00 -1.01 0.00 0.00 66.70 64.84 3h52 h VAL 533 Cb 0.20 1.92 -0.01 0.00 -2.01 0.00 0.00 31.29 31.40 3h52 h VAL 533 CO -0.14 0.16 -0.05 0.28 -1.01 0.00 0.00 177.57 176.81 3h52 h SER 534 N 0.00 0.37 0.53 3.17 0.02 -1.62 -0.11 113.55 115.91 3h52 h SER 534 Ca -0.00 -0.37 -0.02 0.00 -0.84 0.00 0.00 61.79 60.56 3h52 h SER 534 Cb 0.91 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.34 3h52 h SER 534 CO 0.02 0.66 -0.34 -0.07 -1.14 0.00 0.00 176.83 175.96 3h52 h LEU 535 N 0.08 -0.87 -0.97 5.07 4.07 -1.35 0.11 115.31 121.45 3h52 h LEU 535 Ca 0.05 0.05 0.23 0.00 0.08 0.00 0.00 57.88 58.29 3h52 h LEU 535 Cb 0.50 0.26 -0.12 0.00 1.08 0.00 0.00 40.66 42.38 3h52 h LEU 535 CO 0.02 -0.53 0.55 -0.07 -1.08 0.00 0.00 178.44 177.33 3h52 h LEU 536 N -0.83 0.61 -0.28 1.67 3.38 -1.10 0.21 115.31 118.98 3h52 h LEU 536 Ca -0.06 0.13 -0.21 0.00 0.09 0.00 0.00 57.88 57.84 3h52 h LEU 536 Cb 0.68 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.48 3h52 h LEU 536 CO 0.05 0.11 -0.78 -0.08 0.09 0.00 0.00 178.44 177.83 3h52 h GLU 537 N 0.57 0.57 -0.36 1.13 4.81 -0.78 -3.18 114.58 117.34 3h52 h GLU 537 Ca 0.61 -0.48 0.01 0.00 -0.13 0.00 0.00 59.36 59.37 3h52 h GLU 537 Cb 1.12 0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.59 3h52 h GLU 537 CO -0.47 1.11 0.23 0.28 -0.73 0.00 0.00 179.01 179.42 3h52 h VAL 538 N 0.38 1.07 -0.23 0.32 2.07 0.20 -3.15 116.25 116.92 3h52 h VAL 538 Ca -0.05 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.31 3h52 h VAL 538 Cb 1.38 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 31.72 3h52 h VAL 538 CO 0.15 0.08 0.00 2.30 0.02 0.00 0.00 177.57 180.12 3h52 n ILE 539 N -4.86 0.31 -2.21 4.57 -5.35 -0.09 -4.85 119.36 106.89 3h52 n ILE 539 Ca -0.00 -0.30 -0.42 0.00 -0.27 0.00 0.00 62.75 61.75 3h52 n ILE 539 Cb 0.03 0.14 -0.03 0.00 -1.74 0.00 0.00 39.64 38.05 3h52 n ILE 539 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 3h52 s GLU 540 N -1.69 4.34 0.14 6.28 2.56 -1.19 -4.97 118.70 124.16 3h52 s GLU 540 Ca 0.15 2.02 -0.30 0.00 0.00 0.00 0.00 54.97 56.84 3h52 s GLU 540 Cb 0.08 -3.27 -0.07 0.00 2.00 0.00 0.00 34.13 32.87 3h52 s GLU 540 CO 0.10 -0.41 1.24 -2.14 -0.56 0.00 0.00 175.26 173.50 3h52 s PRO 541 N 1.11 4.43 0.34 4.30 0.02 -1.26 -4.99 135.00 138.95 3h52 s PRO 541 Ca 0.64 1.90 -0.25 0.00 0.02 0.00 0.00 61.00 63.31 3h52 s PRO 541 Cb -0.36 -3.26 -0.15 0.00 0.02 0.00 0.00 34.50 30.75 3h52 s PRO 541 CO 0.30 -0.21 0.52 0.39 -0.33 0.00 0.00 177.00 177.67 3h52 n GLU 542 N 3.16 0.43 -2.44 5.54 -0.58 -1.26 -4.87 120.64 120.62 3h52 n GLU 542 Ca 0.07 0.15 -0.42 0.00 -0.42 0.00 0.00 57.16 56.55 3h52 n GLU 542 Cb 0.44 -1.32 -0.03 0.00 -0.57 0.00 0.00 31.44 29.96 3h52 n GLU 542 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 3h52 s VAL 543 N -1.32 3.89 0.38 2.62 1.01 -1.26 -5.00 120.40 120.72 3h52 s VAL 543 Ca 0.62 1.47 -0.18 0.00 0.00 0.00 0.00 61.98 63.89 3h52 s VAL 543 Cb -0.71 -3.94 -0.10 0.00 0.00 0.00 0.00 36.38 31.63 3h52 s VAL 543 CO 0.59 0.18 0.85 -0.76 0.00 0.00 0.00 175.10 175.96 3h52 s LEU 544 N 0.41 4.00 0.34 3.92 1.02 -1.26 -5.06 118.68 122.05 3h52 s LEU 544 Ca 0.55 1.50 -0.03 0.00 0.02 0.00 0.00 54.13 56.17 3h52 s LEU 544 Cb -0.30 -4.33 -0.04 0.00 0.02 0.00 0.00 46.19 41.54 3h52 s LEU 544 CO 0.32 -0.29 0.59 -0.31 0.02 0.00 0.00 176.35 176.68 3h52 s TYR 545 N -2.09 3.50 -0.61 0.29 2.02 -1.26 -5.00 117.35 114.20 3h52 s TYR 545 Ca 0.58 0.57 0.24 0.00 -0.37 0.00 0.00 57.07 58.10 3h52 s TYR 545 Cb -0.10 -2.07 0.44 0.00 -0.40 0.00 0.00 41.96 39.84 3h52 s TYR 545 CO 0.15 0.08 1.45 0.00 -1.57 0.00 0.00 175.55 175.66 3h52 h ALA 546 N 1.13 0.73 -0.54 3.71 0.00 -2.07 -3.47 119.26 118.74 3h52 h ALA 546 Ca -0.48 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.27 3h52 h ALA 546 Cb 1.20 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.94 3h52 h ALA 546 CO 0.64 0.00 -0.16 0.41 0.00 0.00 0.00 179.25 180.14 3h52 n GLY 547 N 1.29 0.76 3.86 0.00 0.00 -1.26 -5.01 105.19 104.83 3h52 n GLY 547 Ca 0.04 -0.66 -0.32 0.00 0.00 0.00 0.00 46.02 45.08 3h52 n GLY 547 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3h52 s TYR 548 N -2.31 3.41 -0.29 1.61 6.14 -1.26 -5.06 117.35 119.58 3h52 s TYR 548 Ca 0.00 1.17 0.00 0.00 0.64 0.00 0.00 57.07 58.88 3h52 s TYR 548 Cb 0.00 -2.52 0.19 0.00 0.42 0.00 0.00 41.96 40.05 3h52 s TYR 548 CO 0.00 0.00 0.58 0.34 0.64 0.00 0.00 175.55 177.11 3h52 s ASP 549 N -2.62 -1.29 0.00 4.32 3.68 -1.26 -5.03 116.67 114.47 3h52 s ASP 549 Ca 0.53 0.67 0.26 0.00 2.13 0.00 0.00 52.55 56.14 3h52 s ASP 549 Cb -0.10 2.05 1.41 0.00 -1.45 0.00 0.00 42.92 44.82 3h52 s ASP 549 CO 0.23 -0.27 1.90 -1.20 0.13 0.00 0.00 175.17 175.95 3h52 n SER 550 N 5.42 0.00 0.20 -0.34 7.64 -1.26 -2.14 113.62 123.14 3h52 n SER 550 Ca 0.00 -0.35 0.14 0.00 1.01 0.00 0.00 58.87 59.67 3h52 n SER 550 Cb 0.52 -0.18 0.51 0.00 -1.01 0.00 0.00 64.21 64.04 3h52 n SER 550 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 3h52 h SER 551 N 0.00 0.00 -3.69 6.43 4.64 -2.04 -3.42 113.55 115.48 3h52 h SER 551 Ca 0.00 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.70 3h52 h SER 551 Cb 0.16 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 62.10 3h52 h SER 551 CO 0.00 0.00 -0.27 -0.69 -0.87 0.00 0.00 176.83 175.00 3h52 s VAL 552 N -3.41 5.20 0.62 0.95 1.01 -0.91 -5.07 120.40 118.79 3h52 s VAL 552 Ca 0.04 0.53 -0.19 0.00 0.00 0.00 0.00 61.98 62.37 3h52 s VAL 552 Cb 0.09 -3.67 -0.02 0.00 0.00 0.00 0.00 36.38 32.77 3h52 s VAL 552 CO 0.52 0.19 1.28 -2.84 0.00 0.00 0.00 175.10 174.26 3h52 s PRO 553 N 1.84 2.73 0.37 2.72 0.02 -1.26 -4.85 135.00 136.57 3h52 s PRO 553 Ca 0.14 2.02 0.06 0.00 0.02 0.00 0.00 61.00 63.25 3h52 s PRO 553 Cb -0.15 -1.92 0.76 0.00 0.02 0.00 0.00 34.50 33.21 3h52 s PRO 553 CO 0.09 -1.45 1.97 -0.44 -0.33 0.00 0.00 177.00 176.84 3h52 h ASP 554 N 0.75 0.64 -0.15 2.53 3.32 -1.95 -2.07 116.42 119.49 3h52 h ASP 554 Ca -0.51 0.00 0.02 0.00 0.02 0.00 0.00 57.03 56.57 3h52 h ASP 554 Cb 1.32 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 40.70 3h52 h ASP 554 CO 0.54 0.41 -0.32 -1.28 -1.72 0.00 0.00 179.24 176.87 3h52 h SER 555 N 0.73 -1.05 -0.46 6.45 0.87 -2.00 -1.91 113.55 116.18 3h52 h SER 555 Ca 0.30 0.13 -0.03 0.00 -1.23 0.00 0.00 61.79 60.96 3h52 h SER 555 Cb 0.25 0.42 -0.02 0.00 -0.44 0.00 0.00 62.40 62.61 3h52 h SER 555 CO -0.10 -0.26 0.18 0.74 -0.53 0.00 0.00 176.83 176.86 3h52 h THR 556 N -0.30 1.21 -0.00 2.23 2.02 -1.85 -2.48 112.91 113.74 3h52 h THR 556 Ca 0.03 -0.64 0.03 0.00 0.77 0.00 0.00 66.41 66.59 3h52 h THR 556 Cb 0.38 0.77 -0.04 0.00 -1.74 0.00 0.00 68.15 67.53 3h52 h THR 556 CO -0.30 0.24 -0.19 -0.25 0.37 0.00 0.00 175.52 175.39 3h52 h TRP 557 N 0.60 -0.50 0.62 3.16 2.91 -1.30 0.20 115.95 121.65 3h52 h TRP 557 Ca 0.15 0.02 -0.02 0.00 1.13 0.00 0.00 58.89 60.17 3h52 h TRP 557 Cb 0.20 0.22 -0.01 0.00 -0.51 0.00 0.00 29.16 29.06 3h52 h TRP 557 CO 0.00 -0.27 -0.46 -0.09 -1.03 0.00 0.00 178.44 176.59 3h52 h ARG 558 N -0.31 -1.01 -0.36 2.65 2.43 -1.28 0.47 114.38 116.97 3h52 h ARG 558 Ca 0.06 0.07 0.07 0.00 -0.81 0.00 0.00 59.98 59.37 3h52 h ARG 558 Cb 0.38 0.23 -0.07 0.00 -0.42 0.00 0.00 29.97 30.10 3h52 h ARG 558 CO -0.18 -0.67 -0.06 0.82 -1.51 0.00 0.00 179.97 178.37 3h52 h ILE 559 N -1.05 0.66 -0.01 1.20 1.08 -1.14 0.32 117.51 118.57 3h52 h ILE 559 Ca -0.08 -0.01 -0.18 0.00 -0.39 0.00 0.00 64.86 64.20 3h52 h ILE 559 Cb 0.87 0.63 -0.01 0.00 -3.07 0.00 0.00 36.82 35.24 3h52 h ILE 559 CO 0.03 0.01 -0.81 0.24 -0.69 0.00 0.00 178.15 176.93 3h52 h MET 560 N 0.03 0.19 0.01 2.37 2.86 -0.48 0.67 114.93 120.58 3h52 h MET 560 Ca 0.18 -0.19 -0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3h52 h MET 560 Cb 0.26 0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.97 3h52 h MET 560 CO -0.35 0.90 -0.00 1.15 1.06 0.00 0.00 176.91 179.66 3h52 h THR 561 N 0.11 1.15 -0.94 2.22 2.02 0.56 -0.68 112.91 117.35 3h52 h THR 561 Ca -0.03 -0.48 0.01 0.00 0.77 0.00 0.00 66.41 66.67 3h52 h THR 561 Cb 1.40 1.48 -0.05 0.00 -1.74 0.00 0.00 68.15 69.25 3h52 h THR 561 CO 0.12 0.13 0.62 0.74 0.37 0.00 0.00 175.52 177.49 3h52 h THR 562 N -0.22 1.24 0.02 3.16 2.02 -0.34 -1.71 112.91 117.09 3h52 h THR 562 Ca -0.00 -0.45 -0.00 0.00 0.77 0.00 0.00 66.41 66.72 3h52 h THR 562 Cb 0.21 -0.14 0.00 0.00 -1.74 0.00 0.00 68.15 66.49 3h52 h THR 562 CO 0.00 0.24 -0.01 -0.07 0.37 0.00 0.00 175.52 176.05 3h52 h LEU 563 N 1.28 -0.03 -0.43 2.58 3.38 -0.78 -1.90 115.31 119.42 3h52 h LEU 563 Ca 0.34 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.30 3h52 h LEU 563 Cb -0.14 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 3h52 h LEU 563 CO -0.07 -0.01 0.28 0.78 0.09 0.00 0.00 178.44 179.51 3h52 h ASN 564 N -0.05 0.50 -0.46 -0.43 4.21 -0.68 0.16 115.58 118.83 3h52 h ASN 564 Ca -0.00 -0.03 0.04 0.00 1.21 0.00 0.00 56.30 57.52 3h52 h ASN 564 Cb 0.04 -0.13 -0.04 0.00 -1.12 0.00 0.00 38.32 37.07 3h52 h ASN 564 CO 0.01 0.38 0.22 0.24 -1.29 0.00 0.00 177.43 176.98 3h52 h MET 565 N 0.58 0.43 0.04 0.81 2.86 -1.32 0.21 114.93 118.53 3h52 h MET 565 Ca 0.16 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.77 3h52 h MET 565 Cb -0.05 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.51 3h52 h MET 565 CO -0.03 0.29 -0.02 1.25 1.06 0.00 0.00 176.91 179.46 3h52 h LEU 566 N 0.45 -0.04 -0.79 1.22 5.85 -0.85 -2.07 115.31 119.08 3h52 h LEU 566 Ca 0.20 -0.17 0.14 0.00 0.84 0.00 0.00 57.88 58.89 3h52 h LEU 566 Cb 0.12 0.01 -0.09 0.00 0.37 0.00 0.00 40.66 41.07 3h52 h LEU 566 CO -0.15 0.14 0.37 1.23 -0.34 0.00 0.00 178.44 179.70 3h52 h GLY 567 N -0.22 1.25 0.22 3.75 0.00 -0.60 -0.23 103.07 107.24 3h52 h GLY 567 Ca -0.00 -0.21 0.09 0.00 0.00 0.00 0.00 47.33 47.21 3h52 h GLY 567 CO 0.01 -0.05 -0.01 -1.33 0.00 0.00 0.00 176.54 175.16 3h52 h GLY 568 N 0.55 0.46 1.57 4.60 0.00 -0.52 -1.16 103.07 108.56 3h52 h GLY 568 Ca 0.43 0.07 -0.14 0.00 0.00 0.00 0.00 47.33 47.69 3h52 h GLY 568 CO -0.37 -0.13 -0.49 3.21 0.00 0.00 0.00 176.54 178.76 3h52 h ARG 569 N 0.10 0.46 -0.04 4.80 3.08 -0.48 -2.94 114.38 119.37 3h52 h ARG 569 Ca 0.23 -0.27 -0.00 0.00 0.07 0.00 0.00 59.98 60.02 3h52 h ARG 569 Cb 0.35 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.41 3h52 h ARG 569 CO -0.40 0.85 0.02 1.96 -1.07 0.00 0.00 179.97 181.33 3h52 h GLN 570 N 0.37 0.05 -0.27 0.04 4.20 -0.70 -0.82 115.11 117.98 3h52 h GLN 570 Ca 0.02 -0.01 0.06 0.00 0.06 0.00 0.00 58.65 58.79 3h52 h GLN 570 Cb 0.99 -0.01 -0.08 0.00 0.30 0.00 0.00 27.48 28.68 3h52 h GLN 570 CO 0.09 0.12 -0.30 0.28 -0.67 0.00 0.00 178.83 178.35 3h52 h VAL 571 N -0.03 0.30 -0.25 -0.54 2.07 -1.13 0.67 116.25 117.34 3h52 h VAL 571 Ca 0.01 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.59 3h52 h VAL 571 Cb 0.08 0.30 -0.07 0.00 -1.52 0.00 0.00 31.29 30.08 3h52 h VAL 571 CO -0.00 0.00 -0.18 0.40 0.02 0.00 0.00 177.57 177.81 3h52 h ILE 572 N -0.29 0.50 -1.00 4.57 2.04 -1.35 0.47 117.51 122.44 3h52 h ILE 572 Ca 0.14 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.05 3h52 h ILE 572 Cb 0.52 0.50 -0.06 0.00 -0.74 0.00 0.00 36.82 37.04 3h52 h ILE 572 CO -0.43 0.00 0.66 0.00 0.00 0.00 0.00 178.15 178.37 3h52 h ALA 573 N 0.98 1.37 -0.58 1.87 0.00 -0.31 -1.29 119.26 121.30 3h52 h ALA 573 Ca 0.14 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3h52 h ALA 573 Cb 0.38 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3h52 h ALA 573 CO -0.35 0.52 0.26 0.00 0.00 0.00 0.00 179.25 179.68 3h52 h ALA 574 N 1.43 1.37 -0.52 0.00 0.00 0.17 -0.45 119.26 121.26 3h52 h ALA 574 Ca 0.41 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 55.10 3h52 h ALA 574 Cb 0.06 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3h52 h ALA 574 CO -0.14 0.49 -0.03 0.28 0.00 0.00 0.00 179.25 179.84 3h52 h VAL 575 N 0.82 1.27 -0.27 0.00 2.07 0.14 -1.21 116.25 119.07 3h52 h VAL 575 Ca 0.20 -1.14 -0.13 0.00 0.82 0.00 0.00 66.70 66.45 3h52 h VAL 575 Cb 0.11 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 3h52 h VAL 575 CO -0.02 0.40 -0.36 0.50 0.02 0.00 0.00 177.57 178.11 3h52 h LYS 576 N 0.81 0.61 0.67 1.57 3.64 -0.89 -2.20 116.57 120.78 3h52 h LYS 576 Ca 0.14 -0.29 -0.03 0.00 -1.27 0.00 0.00 60.65 59.20 3h52 h LYS 576 Cb 0.57 -0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.39 3h52 h LYS 576 CO 0.03 0.88 -0.32 2.35 -2.27 0.00 0.00 179.45 180.12 3h52 h TRP 577 N 0.51 -0.83 -0.94 1.91 7.01 -1.05 -3.05 115.95 119.51 3h52 h TRP 577 Ca 0.05 -0.02 0.19 0.00 2.11 0.00 0.00 58.89 61.22 3h52 h TRP 577 Cb 0.86 0.27 -0.18 0.00 -2.10 0.00 0.00 29.16 28.01 3h52 h TRP 577 CO 0.04 -0.48 -0.22 0.00 -2.79 0.00 0.00 178.44 174.99 3h52 h ALA 578 N -0.85 0.65 -0.90 2.65 0.00 -1.06 0.31 119.26 120.05 3h52 h ALA 578 Ca -0.09 0.36 0.13 0.00 0.00 0.00 0.00 54.91 55.31 3h52 h ALA 578 Cb 0.72 0.70 -0.07 0.00 0.00 0.00 0.00 17.79 19.14 3h52 h ALA 578 CO 0.15 -0.40 0.58 0.87 0.00 0.00 0.00 179.25 180.45 3h52 h LYS 579 N 0.00 0.76 0.00 0.00 1.57 -1.30 -1.34 116.57 116.27 3h52 h LYS 579 Ca 0.46 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.19 3h52 h LYS 579 Cb 0.71 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.85 3h52 h LYS 579 CO -0.96 0.51 0.00 0.00 -0.57 0.00 0.00 179.45 178.43 3h52 h ALA 580 N 1.58 1.00 -2.11 3.86 0.00 -0.30 -3.36 119.26 119.93 3h52 h ALA 580 Ca 0.44 0.00 -0.58 0.00 0.00 0.00 0.00 54.91 54.77 3h52 h ALA 580 Cb 0.60 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.40 3h52 h ALA 580 CO -0.21 0.00 1.21 -0.89 0.00 0.00 0.00 179.25 179.36 3h52 n ILE 581 N -2.91 0.62 -1.61 0.00 2.08 -0.51 -4.88 119.36 112.16 3h52 n ILE 581 Ca 0.04 -0.16 -0.54 0.00 0.56 0.00 0.00 62.75 62.65 3h52 n ILE 581 Cb 0.49 -2.11 -0.06 0.00 -0.75 0.00 0.00 39.64 37.20 3h52 n ILE 581 CO 0.00 0.00 0.00 -2.65 0.56 0.00 0.00 176.55 174.46 3h52 n PRO 582 N 7.28 1.03 0.00 0.38 -0.02 -1.26 -2.45 135.00 139.97 3h52 n PRO 582 Ca 0.23 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 3h52 n PRO 582 Cb 0.35 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 3h52 n PRO 582 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3h52 n GLY 583 N 2.80 2.74 0.44 -1.23 0.00 -1.26 -4.78 105.19 103.89 3h52 n GLY 583 Ca 0.20 -0.66 -0.14 0.00 0.00 0.00 0.00 46.02 45.42 3h52 n GLY 583 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3h52 h PHE 584 N 0.00 -1.34 -0.62 1.61 3.57 -1.82 -1.35 116.94 116.99 3h52 h PHE 584 Ca 0.00 0.04 0.20 0.00 3.53 0.00 0.00 57.97 61.75 3h52 h PHE 584 Cb 0.00 0.58 -0.11 0.00 2.79 0.00 0.00 35.95 39.21 3h52 h PHE 584 CO 0.00 -0.53 0.13 2.89 -2.23 0.00 0.00 178.31 178.57 3h52 n ARG 585 N -5.46 -0.04 0.06 1.11 1.85 -1.15 0.16 116.66 113.18 3h52 n ARG 585 Ca -0.06 0.90 0.13 0.00 -1.00 0.00 0.00 57.85 57.82 3h52 n ARG 585 Cb 0.39 -1.49 0.49 0.00 -1.05 0.00 0.00 32.46 30.80 3h52 n ARG 585 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 3h52 n ASN 586 N -4.65 0.46 -4.71 2.89 4.13 -0.52 -4.82 115.26 108.04 3h52 n ASN 586 Ca 0.18 0.55 -0.31 0.00 1.68 0.00 0.00 54.58 56.68 3h52 n ASN 586 Cb 0.60 -0.67 0.13 0.00 -1.54 0.00 0.00 39.78 38.30 3h52 n ASN 586 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3h52 s LEU 587 N -3.88 2.89 0.45 3.41 1.43 0.12 -4.94 118.68 118.17 3h52 s LEU 587 Ca 0.12 2.00 -0.24 0.00 -1.03 0.00 0.00 54.13 54.98 3h52 s LEU 587 Cb 0.15 -4.52 -0.09 0.00 0.03 0.00 0.00 46.19 41.77 3h52 s LEU 587 CO 0.56 -2.64 1.29 1.57 0.23 0.00 0.00 176.35 177.36 3h52 n HIS 588 N -3.92 2.16 -0.22 0.29 -0.00 -1.26 -4.83 115.22 107.43 3h52 n HIS 588 Ca 0.10 0.48 -0.01 0.00 -0.00 0.00 0.00 57.72 58.29 3h52 n HIS 588 Cb 0.53 -2.37 0.05 0.00 -0.00 0.00 0.00 29.99 28.20 3h52 n HIS 588 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.34 176.27 3h52 h LEU 589 N 1.93 -0.79 -0.27 0.27 4.07 -1.92 -1.47 115.31 117.14 3h52 h LEU 589 Ca -0.49 0.21 -0.01 0.00 0.08 0.00 0.00 57.88 57.68 3h52 h LEU 589 Cb 1.30 0.47 -0.01 0.00 1.08 0.00 0.00 40.66 43.49 3h52 h LEU 589 CO 0.59 -0.25 0.14 0.44 -1.08 0.00 0.00 178.44 178.28 3h52 h ASP 590 N -0.05 0.35 -1.01 -0.43 3.32 -2.00 -2.79 116.42 113.82 3h52 h ASP 590 Ca 0.30 -0.12 0.24 0.00 0.02 0.00 0.00 57.03 57.47 3h52 h ASP 590 Cb 0.52 -0.09 -0.12 0.00 0.22 0.00 0.00 39.33 39.86 3h52 h ASP 590 CO -0.70 0.37 0.61 0.44 -1.72 0.00 0.00 179.24 178.24 3h52 h ASP 591 N 0.31 0.67 -0.14 6.45 3.32 -1.63 0.37 116.42 125.76 3h52 h ASP 591 Ca 0.09 0.12 -0.02 0.00 0.02 0.00 0.00 57.03 57.25 3h52 h ASP 591 Cb 0.11 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 3h52 h ASP 591 CO -0.01 0.13 0.01 1.56 -1.72 0.00 0.00 179.24 179.21 3h52 h GLN 592 N 0.59 0.24 -0.53 3.56 4.20 -1.20 0.67 115.11 122.65 3h52 h GLN 592 Ca 0.63 -0.07 0.04 0.00 0.06 0.00 0.00 58.65 59.30 3h52 h GLN 592 Cb 1.20 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 28.91 3h52 h GLN 592 CO -0.43 0.45 0.29 1.98 -0.67 0.00 0.00 178.83 180.45 3h52 h MET 593 N -0.00 0.56 0.00 1.46 4.05 -1.01 -1.65 114.93 118.33 3h52 h MET 593 Ca 0.04 -0.03 -0.00 0.00 -0.28 0.00 0.00 59.70 59.43 3h52 h MET 593 Cb 0.33 -0.13 0.00 0.00 -0.80 0.00 0.00 31.60 31.01 3h52 h MET 593 CO 0.00 0.37 -0.00 1.15 0.23 0.00 0.00 176.91 178.66 3h52 h THR 594 N 0.57 1.17 -0.93 -0.77 2.02 0.25 -1.31 112.91 113.92 3h52 h THR 594 Ca 0.23 -0.50 0.04 0.00 0.77 0.00 0.00 66.41 66.95 3h52 h THR 594 Cb 0.10 1.51 -0.06 0.00 -1.74 0.00 0.00 68.15 67.96 3h52 h THR 594 CO -0.14 0.13 0.61 -0.07 0.37 0.00 0.00 175.52 176.42 3h52 h LEU 595 N -0.21 0.99 -0.79 2.58 4.07 0.38 -2.39 115.31 119.93 3h52 h LEU 595 Ca -0.00 -0.01 -0.10 0.00 0.08 0.00 0.00 57.88 57.85 3h52 h LEU 595 Cb 0.21 -0.22 -0.02 0.00 1.08 0.00 0.00 40.66 41.72 3h52 h LEU 595 CO 0.00 0.66 -0.18 -0.07 -1.08 0.00 0.00 178.44 177.77 3h52 h LEU 596 N 1.14 0.72 -1.11 1.67 3.38 -1.02 -2.78 115.31 117.30 3h52 h LEU 596 Ca 0.38 -0.23 0.05 0.00 0.09 0.00 0.00 57.88 58.16 3h52 h LEU 596 Cb 0.07 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 40.57 3h52 h LEU 596 CO -0.13 0.90 0.60 1.56 0.09 0.00 0.00 178.44 181.47 3h52 h GLN 597 N 0.64 1.09 -0.00 1.13 4.20 -0.72 -2.30 115.11 119.14 3h52 h GLN 597 Ca 0.10 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.74 3h52 h GLN 597 Cb 0.66 -0.25 0.00 0.00 0.30 0.00 0.00 27.48 28.19 3h52 h GLN 597 CO 0.05 0.72 -0.29 0.66 -0.67 0.00 0.00 178.83 179.29 3h52 n TYR 598 N -4.46 0.00 0.00 2.96 4.01 -1.11 -4.41 117.16 114.15 3h52 n TYR 598 Ca 0.13 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.87 3h52 n TYR 598 Cb 0.14 -0.33 0.00 0.00 -0.31 0.00 0.00 39.34 38.84 3h52 n TYR 598 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 3h52 n SER 599 N -1.45 4.46 -0.29 7.72 3.41 -1.01 -4.82 113.62 121.64 3h52 n SER 599 Ca 0.07 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.78 3h52 n SER 599 Cb 0.33 0.84 0.27 0.00 -0.26 0.00 0.00 64.21 65.39 3h52 n SER 599 CO 0.00 0.00 0.00 4.11 -0.16 0.00 0.00 175.04 178.99 3h52 h TRP 600 N 0.00 0.61 -0.22 7.33 5.08 -1.63 0.11 115.95 127.23 3h52 h TRP 600 Ca 0.00 0.04 -0.04 0.00 1.08 0.00 0.00 58.89 59.97 3h52 h TRP 600 Cb 0.11 -0.13 -0.01 0.00 -3.00 0.00 0.00 29.16 26.13 3h52 h TRP 600 CO 0.00 -0.01 -0.03 1.98 -1.28 0.00 0.00 178.44 179.10 3h52 h MET 601 N 0.42 0.40 -0.85 0.12 4.05 -1.88 -0.24 114.93 116.96 3h52 h MET 601 Ca 0.52 -0.15 0.18 0.00 -0.28 0.00 0.00 59.70 59.97 3h52 h MET 601 Cb 0.92 -0.03 -0.11 0.00 -0.80 0.00 0.00 31.60 31.59 3h52 h MET 601 CO -0.49 0.63 0.39 1.03 0.23 0.00 0.00 176.91 178.70 3h52 h SER 602 N 0.14 0.39 -0.33 1.39 0.87 -1.16 0.70 113.55 115.56 3h52 h SER 602 Ca 0.06 0.12 -0.10 0.00 -1.23 0.00 0.00 61.79 60.64 3h52 h SER 602 Cb 0.47 0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.50 3h52 h SER 602 CO 0.02 0.11 -0.17 -0.07 -0.53 0.00 0.00 176.83 176.19 3h52 h LEU 603 N 0.50 0.73 -0.25 2.23 3.38 -0.87 -2.30 115.31 118.72 3h52 h LEU 603 Ca 0.49 -0.41 -0.21 0.00 0.09 0.00 0.00 57.88 57.84 3h52 h LEU 603 Cb 0.81 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.37 3h52 h LEU 603 CO -0.44 0.97 -0.80 -0.03 0.09 0.00 0.00 178.44 178.23 3h52 h MET 604 N 0.48 0.57 0.00 1.13 4.05 -0.29 -0.81 114.93 120.07 3h52 h MET 604 Ca 0.07 -0.50 -0.00 0.00 -0.28 0.00 0.00 59.70 59.00 3h52 h MET 604 Cb 0.70 0.11 0.00 0.00 -0.80 0.00 0.00 31.60 31.62 3h52 h MET 604 CO 0.05 1.12 -0.00 0.00 0.23 0.00 0.00 176.91 178.31 3h52 h ALA 605 N 0.73 -0.00 -0.47 0.39 0.00 -0.96 -2.04 119.26 116.91 3h52 h ALA 605 Ca -0.05 -0.27 0.08 0.00 0.00 0.00 0.00 54.91 54.67 3h52 h ALA 605 Cb 1.41 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.14 3h52 h ALA 605 CO 0.15 -0.24 0.10 0.35 0.00 0.00 0.00 179.25 179.61 3h52 h PHE 606 N -0.54 0.16 0.08 0.00 3.57 -1.41 0.58 116.94 119.38 3h52 h PHE 606 Ca -0.00 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.53 3h52 h PHE 606 Cb 0.53 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.26 3h52 h PHE 606 CO 0.11 0.01 -0.11 0.00 -2.23 0.00 0.00 178.31 176.09 3h52 h ALA 607 N 1.36 -0.19 -0.85 2.41 0.00 -1.17 -1.28 119.26 119.54 3h52 h ALA 607 Ca 0.23 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.22 3h52 h ALA 607 Cb 0.29 0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.18 3h52 h ALA 607 CO -0.30 -0.63 0.55 1.25 0.00 0.00 0.00 179.25 180.13 3h52 h LEU 608 N -0.23 0.73 -0.58 0.00 5.85 -0.57 0.27 115.31 120.78 3h52 h LEU 608 Ca 0.01 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 3h52 h LEU 608 Cb 0.23 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 3h52 h LEU 608 CO -0.05 0.43 0.32 1.23 -0.34 0.00 0.00 178.44 180.03 3h52 h GLY 609 N 0.81 0.87 0.65 3.75 0.00 0.70 -1.79 103.07 108.07 3h52 h GLY 609 Ca 0.40 -0.39 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 3h52 h GLY 609 CO -0.16 0.38 -0.11 -0.25 0.00 0.00 0.00 176.54 176.39 3h52 h TRP 610 N 0.79 0.29 -0.88 5.60 2.91 0.21 0.19 115.95 125.06 3h52 h TRP 610 Ca 0.21 -0.09 0.10 0.00 1.13 0.00 0.00 58.89 60.24 3h52 h TRP 610 Cb 0.04 -0.06 -0.08 0.00 -0.51 0.00 0.00 29.16 28.56 3h52 h TRP 610 CO -0.01 0.69 0.52 0.00 -1.03 0.00 0.00 178.44 178.61 3h52 h ARG 611 N -0.19 0.83 -0.06 2.65 3.08 -0.62 0.39 114.38 120.46 3h52 h ARG 611 Ca 0.01 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 3h52 h ARG 611 Cb 0.65 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 30.51 3h52 h ARG 611 CO 0.03 0.55 0.02 0.77 -1.07 0.00 0.00 179.97 180.27 3h52 h SER 612 N 0.86 0.08 -0.68 7.04 0.02 -1.09 0.63 113.55 120.41 3h52 h SER 612 Ca 0.43 -0.21 0.14 0.00 -0.84 0.00 0.00 61.79 61.31 3h52 h SER 612 Cb 0.40 -0.02 -0.11 0.00 0.14 0.00 0.00 62.40 62.81 3h52 h SER 612 CO -0.25 0.27 0.09 0.22 -1.14 0.00 0.00 176.83 176.01 3h52 h TYR 613 N -0.11 0.11 0.00 3.45 3.20 -0.17 -0.28 116.97 123.17 3h52 h TYR 613 Ca 0.02 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.93 3h52 h TYR 613 Cb 0.22 0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.55 3h52 h TYR 613 CO -0.00 -0.13 -0.19 0.00 -1.64 0.00 0.00 178.16 176.20 3h52 h ARG 614 N 0.19 0.00 0.00 1.82 2.47 -0.55 -2.99 114.38 115.31 3h52 h ARG 614 Ca 0.37 0.00 -0.37 0.00 -1.26 0.00 0.00 59.98 58.72 3h52 h ARG 614 Cb 0.62 0.00 -0.07 0.00 -1.65 0.00 0.00 29.97 28.87 3h52 h ARG 614 CO -0.52 0.00 -2.40 0.94 0.56 0.00 0.00 179.97 178.55 3h52 n GLN 615 N -2.57 0.68 0.00 0.04 7.27 0.18 -4.77 117.38 118.21 3h52 n GLN 615 Ca 0.04 0.03 0.00 0.00 0.07 0.00 0.00 57.00 57.14 3h52 n GLN 615 Cb 0.48 -1.52 0.00 0.00 2.41 0.00 0.00 30.24 31.60 3h52 n GLN 615 CO 0.00 0.00 0.00 -1.13 0.07 0.00 0.00 177.06 176.00 3h52 n SER 616 N -2.85 0.74 -2.32 1.69 3.41 -0.14 -4.98 113.62 109.17 3h52 n SER 616 Ca -0.35 -1.37 -0.18 0.00 -0.26 0.00 0.00 58.87 56.71 3h52 n SER 616 Cb 1.13 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 65.10 3h52 n SER 616 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3h52 n SER 617 N -0.19 -5.17 -1.29 4.04 2.88 -1.13 -3.97 113.62 108.80 3h52 n SER 617 Ca 0.00 -0.18 -0.12 0.00 -1.33 0.00 0.00 58.87 57.25 3h52 n SER 617 Cb 0.41 -4.07 -0.01 0.00 -0.75 0.00 0.00 64.21 59.78 3h52 n SER 617 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3h52 n ALA 618 N -2.85 -0.33 0.00 -1.46 0.00 -1.09 -4.87 120.51 109.91 3h52 n ALA 618 Ca -0.12 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3h52 n ALA 618 Cb 0.61 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.62 3h52 n ALA 618 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3h52 n ASN 619 N -0.20 2.77 -4.87 0.00 0.23 -1.25 -3.73 115.26 108.20 3h52 n ASN 619 Ca -0.14 0.00 -0.31 0.00 -0.53 0.00 0.00 54.58 53.60 3h52 n ASN 619 Cb 0.58 0.34 -0.05 0.00 -2.08 0.00 0.00 39.78 38.57 3h52 n ASN 619 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 3h52 s LEU 620 N -2.45 4.03 -0.24 -4.53 1.43 -1.26 -4.64 118.68 111.03 3h52 s LEU 620 Ca 0.00 1.03 -0.15 0.00 -1.03 0.00 0.00 54.13 53.98 3h52 s LEU 620 Cb 0.00 -3.85 -0.04 0.00 0.03 0.00 0.00 46.19 42.34 3h52 s LEU 620 CO 0.00 -0.21 0.39 -0.76 0.23 0.00 0.00 176.35 175.99 3h52 s LEU 621 N -3.25 4.09 -0.82 1.79 1.43 -1.08 -4.80 118.68 116.04 3h52 s LEU 621 Ca 0.50 0.40 0.01 0.00 -1.03 0.00 0.00 54.13 54.00 3h52 s LEU 621 Cb -0.11 -2.47 0.23 0.00 0.03 0.00 0.00 46.19 43.88 3h52 s LEU 621 CO 0.24 -0.13 0.83 0.00 0.23 0.00 0.00 176.35 177.52 3h52 h PHE 623 N 5.29 0.14 -3.75 0.00 -1.00 -1.84 -3.42 116.94 112.36 3h52 h PHE 623 Ca 0.18 0.02 -0.36 0.00 2.81 0.00 0.00 57.97 60.62 3h52 h PHE 623 Cb 0.73 -0.00 -0.14 0.00 3.61 0.00 0.00 35.95 40.14 3h52 h PHE 623 CO 0.76 0.02 -0.61 0.00 -1.61 0.00 0.00 178.31 176.87 3h52 s ALA 624 N -6.16 1.77 0.25 2.45 0.00 -1.22 -4.97 121.76 113.87 3h52 s ALA 624 Ca -0.13 -1.86 -0.04 0.00 0.00 0.00 0.00 51.96 49.92 3h52 s ALA 624 Cb 0.13 1.05 0.37 0.00 0.00 0.00 0.00 23.12 24.67 3h52 s ALA 624 CO 0.71 -0.46 1.84 -1.35 0.00 0.00 0.00 175.76 176.50 3h52 h PRO 625 N 2.36 0.90 -0.05 0.00 0.11 -2.01 -2.62 132.00 130.69 3h52 h PRO 625 Ca -0.38 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3h52 h PRO 625 Cb 1.25 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3h52 h PRO 625 CO 0.60 0.59 0.00 -0.40 -0.21 0.00 0.00 178.00 178.59 3h52 n ASP 626 N -4.66 0.87 -3.51 -2.05 5.75 -1.26 -4.61 116.55 107.08 3h52 n ASP 626 Ca 0.13 -1.44 -0.27 0.00 -0.01 0.00 0.00 54.79 53.20 3h52 n ASP 626 Cb 0.22 -0.03 -0.11 0.00 -1.03 0.00 0.00 41.12 40.17 3h52 n ASP 626 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 3h52 s LEU 627 N -1.77 2.13 -0.31 -2.12 1.98 -0.98 -5.08 118.68 112.53 3h52 s LEU 627 Ca 0.36 -3.18 -0.08 0.00 -2.89 0.00 0.00 54.13 48.35 3h52 s LEU 627 Cb 0.18 -0.70 0.01 0.00 0.66 0.00 0.00 46.19 46.34 3h52 s LEU 627 CO 0.29 -0.16 0.11 -0.63 -1.89 0.00 0.00 176.35 174.07 3h52 s ILE 628 N -0.20 4.12 -0.37 6.68 1.01 -1.26 -2.54 121.20 128.65 3h52 s ILE 628 Ca 0.30 -0.70 -0.17 0.00 0.00 0.00 0.00 60.65 60.08 3h52 s ILE 628 Cb -0.00 -3.16 0.00 0.00 0.01 0.00 0.00 42.46 39.31 3h52 s ILE 628 CO -0.18 0.02 0.46 -0.63 0.00 0.00 0.00 174.94 174.62 3h52 s ILE 629 N 1.52 5.07 0.71 2.92 -1.09 -0.66 -4.99 121.20 124.67 3h52 s ILE 629 Ca 0.02 0.07 -0.12 0.00 -2.23 0.00 0.00 60.65 58.39 3h52 s ILE 629 Cb -0.18 -3.95 0.16 0.00 -1.58 0.00 0.00 42.46 36.91 3h52 s ILE 629 CO 0.04 -0.25 0.92 -0.46 -1.23 0.00 0.00 174.94 173.95 3h52 n ASN 630 N 5.63 -0.13 -0.22 3.58 6.94 -1.26 -2.64 115.26 127.17 3h52 n ASN 630 Ca -0.06 -1.30 -0.08 0.00 -0.02 0.00 0.00 54.58 53.12 3h52 n ASN 630 Cb 0.49 -0.72 0.03 0.00 -2.36 0.00 0.00 39.78 37.22 3h52 n ASN 630 CO 0.00 0.00 0.00 -0.08 -1.03 0.00 0.00 177.26 176.15 3h52 h GLU 631 N 0.00 0.96 -0.29 -3.83 4.81 -1.98 -1.06 114.58 113.20 3h52 h GLU 631 Ca -0.30 -0.23 -0.01 0.00 -0.13 0.00 0.00 59.36 58.69 3h52 h GLU 631 Cb 0.84 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.08 3h52 h GLU 631 CO 0.21 0.88 0.13 1.96 -0.73 0.00 0.00 179.01 181.46 3h52 h GLN 632 N 0.88 0.43 0.01 1.92 4.20 -1.98 -2.42 115.11 118.15 3h52 h GLN 632 Ca 0.19 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.83 3h52 h GLN 632 Cb 0.34 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.05 3h52 h GLN 632 CO 0.00 0.43 -0.01 0.07 -0.67 0.00 0.00 178.83 178.65 3h52 h ARG 633 N 0.33 -0.02 -1.02 1.46 -0.00 -1.90 -3.04 114.38 110.19 3h52 h ARG 633 Ca 0.10 0.00 0.27 0.00 -0.00 0.00 0.00 59.98 60.35 3h52 h ARG 633 Cb 0.15 0.00 -0.07 0.00 -0.00 0.00 0.00 29.97 30.05 3h52 h ARG 633 CO -0.01 0.21 0.69 0.52 -0.00 0.00 0.00 179.97 181.38 3h52 h MET 634 N -0.25 0.25 0.00 0.08 2.07 -1.14 -1.35 114.93 114.60 3h52 h MET 634 Ca -0.00 -0.02 -0.01 0.00 -2.07 0.00 0.00 59.70 57.60 3h52 h MET 634 Cb 0.24 -0.06 -0.00 0.00 -1.87 0.00 0.00 31.60 29.91 3h52 h MET 634 CO 0.00 0.17 -0.04 1.79 1.07 0.00 0.00 176.91 179.90 3h52 h THR 635 N 0.26 0.10 -4.14 2.22 1.35 -1.31 -3.08 112.91 108.31 3h52 h THR 635 Ca 0.54 -0.68 -0.54 0.00 -0.55 0.00 0.00 66.41 65.18 3h52 h THR 635 Cb 1.63 1.62 0.15 0.00 -1.73 0.00 0.00 68.15 69.82 3h52 h THR 635 CO -0.18 0.04 0.45 -0.76 -0.25 0.00 0.00 175.52 174.83 3h52 s LEU 636 N -6.29 3.47 0.32 3.87 1.02 -0.51 -4.66 118.68 115.90 3h52 s LEU 636 Ca 0.02 2.47 0.04 0.00 0.02 0.00 0.00 54.13 56.68 3h52 s LEU 636 Cb 0.09 -4.60 0.65 0.00 0.02 0.00 0.00 46.19 42.34 3h52 s LEU 636 CO 0.58 -2.07 1.88 -0.65 0.02 0.00 0.00 176.35 176.11 3h52 h PRO 637 N 0.21 0.87 -0.27 1.29 0.11 -1.89 -0.57 132.00 131.75 3h52 h PRO 637 Ca -0.49 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.57 3h52 h PRO 637 Cb 1.31 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 3h52 h PRO 637 CO 0.52 0.57 0.18 0.38 -0.21 0.00 0.00 178.00 179.44 3h52 h ASP 638 N 0.89 0.31 -0.00 -2.05 2.03 -1.93 -3.24 116.42 112.43 3h52 h ASP 638 Ca 0.44 -0.01 0.00 0.00 -0.73 0.00 0.00 57.03 56.73 3h52 h ASP 638 Cb 0.46 -0.08 0.00 0.00 -0.83 0.00 0.00 39.33 38.88 3h52 h ASP 638 CO -0.20 0.22 -0.26 0.23 -1.03 0.00 0.00 179.24 178.21 3h52 n MET 639 N -4.50 4.25 0.18 4.15 2.81 -0.94 -4.86 117.12 118.22 3h52 n MET 639 Ca 0.01 -0.13 -0.14 0.00 -1.81 0.00 0.00 57.70 55.63 3h52 n MET 639 Cb 0.07 -0.84 -0.08 0.00 -0.71 0.00 0.00 33.22 31.66 3h52 n MET 639 CO 0.00 0.00 0.00 -0.92 1.51 0.00 0.00 175.97 176.56 3h52 h TYR 640 N 0.19 -0.42 -0.26 2.03 3.20 -1.02 -2.63 116.97 118.06 3h52 h TYR 640 Ca 0.00 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 61.92 3h52 h TYR 640 Cb 0.17 0.14 -0.07 0.00 1.54 0.00 0.00 36.73 38.51 3h52 h TYR 640 CO 0.00 -0.13 -0.21 -0.44 -1.64 0.00 0.00 178.16 175.74 3h52 h ASP 641 N -0.68 -0.67 -0.17 -2.11 3.32 -1.86 -2.28 116.42 111.97 3h52 h ASP 641 Ca -0.05 0.13 -0.03 0.00 0.02 0.00 0.00 57.03 57.11 3h52 h ASP 641 Cb 0.48 0.33 -0.01 0.00 0.22 0.00 0.00 39.33 40.35 3h52 h ASP 641 CO 0.08 -0.25 -0.01 1.56 -1.72 0.00 0.00 179.24 178.90 3h52 h GLN 642 N -0.20 0.30 -0.08 3.56 7.50 -1.92 -3.19 115.11 121.08 3h52 h GLN 642 Ca 0.14 -0.10 -0.04 0.00 0.50 0.00 0.00 58.65 59.15 3h52 h GLN 642 Cb 0.42 -0.02 -0.01 0.00 0.05 0.00 0.00 27.48 27.91 3h52 h GLN 642 CO -0.38 0.53 -0.16 0.00 -1.50 0.00 0.00 178.83 177.33 3h52 h LYS 644 N 0.12 -0.17 -0.33 0.00 3.64 -1.39 0.30 116.57 118.74 3h52 h LYS 644 Ca 0.02 0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 59.29 3h52 h LYS 644 Cb 0.36 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 3h52 h LYS 644 CO 0.02 -0.11 -0.30 0.45 -2.27 0.00 0.00 179.45 177.24 3h52 h HIS 645 N -0.18 0.80 -0.00 1.91 3.86 -1.33 -1.49 115.15 118.72 3h52 h HIS 645 Ca 0.19 -0.20 -0.00 0.00 -1.16 0.00 0.00 60.37 59.20 3h52 h HIS 645 Cb 0.47 -0.18 -0.00 0.00 1.06 0.00 0.00 27.41 28.76 3h52 h HIS 645 CO -0.47 0.91 -0.00 0.52 0.86 0.00 0.00 177.93 179.75 3h52 h MET 646 N 0.59 0.00 -0.49 2.45 2.86 -1.04 -3.11 114.93 116.19 3h52 h MET 646 Ca 0.07 -0.00 0.08 0.00 -2.06 0.00 0.00 59.70 57.79 3h52 h MET 646 Cb 0.81 -0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.44 3h52 h MET 646 CO 0.07 0.32 0.33 -0.07 1.06 0.00 0.00 176.91 178.62 3h52 h LEU 647 N -0.32 0.27 0.05 1.22 3.38 -0.33 -2.55 115.31 117.04 3h52 h LEU 647 Ca 0.00 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.00 3h52 h LEU 647 Cb 0.32 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 3h52 h LEU 647 CO 0.00 0.17 -0.21 0.22 0.09 0.00 0.00 178.44 178.71 3h52 h TYR 648 N 0.31 -0.56 -0.59 1.13 5.03 -1.20 0.70 116.97 121.80 3h52 h TYR 648 Ca 0.22 0.02 0.12 0.00 2.58 0.00 0.00 58.73 61.67 3h52 h TYR 648 Cb 0.47 0.24 -0.10 0.00 1.55 0.00 0.00 36.73 38.90 3h52 h TYR 648 CO -0.00 -0.30 0.03 0.28 -1.32 0.00 0.00 178.16 176.85 3h52 h VAL 649 N -0.36 0.55 0.70 1.81 2.07 -1.43 -0.90 116.25 118.68 3h52 h VAL 649 Ca 0.05 -0.05 -0.03 0.00 0.82 0.00 0.00 66.70 67.48 3h52 h VAL 649 Cb 0.42 0.39 0.01 0.00 -1.52 0.00 0.00 31.29 30.58 3h52 h VAL 649 CO -0.16 0.03 -0.33 -1.28 0.02 0.00 0.00 177.57 175.84 3h52 h SER 650 N 0.14 -0.79 -0.90 0.57 0.87 -1.17 -2.71 113.55 109.57 3h52 h SER 650 Ca 0.31 0.01 0.20 0.00 -1.23 0.00 0.00 61.79 61.08 3h52 h SER 650 Cb 0.48 0.20 -0.07 0.00 -0.44 0.00 0.00 62.40 62.58 3h52 h SER 650 CO -0.48 -0.43 0.60 -1.28 -0.53 0.00 0.00 176.83 174.71 3h52 h SER 651 N -1.19 0.39 0.49 6.23 0.87 0.67 -1.97 113.55 119.04 3h52 h SER 651 Ca -0.10 0.04 -0.27 0.00 -1.23 0.00 0.00 61.79 60.24 3h52 h SER 651 Cb 0.74 -0.03 0.01 0.00 -0.44 0.00 0.00 62.40 62.67 3h52 h SER 651 CO 0.16 0.16 -1.18 -0.08 -0.53 0.00 0.00 176.83 175.36 3h52 h GLU 652 N 0.39 0.35 -0.20 2.24 4.57 -1.10 -0.49 114.58 120.34 3h52 h GLU 652 Ca 0.47 -0.51 -0.00 0.00 -1.18 0.00 0.00 59.36 58.13 3h52 h GLU 652 Cb 1.18 0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 29.94 3h52 h GLU 652 CO -0.17 1.21 0.11 -0.07 -1.18 0.00 0.00 179.01 178.91 3h52 h LEU 653 N 0.13 0.25 -0.23 1.64 3.38 -1.05 -0.12 115.31 119.31 3h52 h LEU 653 Ca -0.13 -0.08 0.06 0.00 0.09 0.00 0.00 57.88 57.81 3h52 h LEU 653 Cb 1.87 -0.06 -0.07 0.00 0.09 0.00 0.00 40.66 42.49 3h52 h LEU 653 CO 0.20 0.25 -0.37 -0.74 0.09 0.00 0.00 178.44 177.88 3h52 h HIS 654 N 0.22 -1.04 -1.00 1.13 2.76 -1.35 0.30 115.15 116.17 3h52 h HIS 654 Ca 0.07 0.05 0.03 0.00 -2.20 0.00 0.00 60.37 58.32 3h52 h HIS 654 Cb 0.06 0.49 -0.06 0.00 1.55 0.00 0.00 27.41 29.45 3h52 h HIS 654 CO -0.04 -0.43 0.66 -0.09 -1.30 0.00 0.00 177.93 176.73 3h52 h ARG 655 N -0.39 1.24 -0.02 5.26 2.43 -0.91 0.78 114.38 122.78 3h52 h ARG 655 Ca 0.11 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 3h52 h ARG 655 Cb 0.58 -0.28 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 3h52 h ARG 655 CO -0.44 0.82 0.00 1.28 -1.51 0.00 0.00 179.97 180.12 3h52 n LEU 656 N -4.43 0.72 -4.16 3.80 4.77 -0.07 -4.93 117.00 112.69 3h52 n LEU 656 Ca 0.13 -0.25 -0.30 0.00 -0.03 0.00 0.00 56.01 55.56 3h52 n LEU 656 Cb 0.08 -0.01 -0.06 0.00 -2.33 0.00 0.00 43.42 41.11 3h52 n LEU 656 CO 0.35 0.13 -0.30 0.00 -1.33 0.00 0.00 177.39 176.24 3h52 n GLN 657 N -0.42 -2.24 -1.70 3.23 1.13 0.98 -4.87 117.38 113.48 3h52 n GLN 657 Ca 0.21 0.27 -0.35 0.00 -1.94 0.00 0.00 57.00 55.18 3h52 n GLN 657 Cb 0.22 -4.26 0.06 0.00 0.11 0.00 0.00 30.24 26.38 3h52 n GLN 657 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3h52 s VAL 658 N -4.00 2.56 0.38 5.09 1.01 -0.69 -5.03 120.40 119.72 3h52 s VAL 658 Ca 0.14 0.30 0.08 0.00 0.00 0.00 0.00 61.98 62.50 3h52 s VAL 658 Cb -0.08 -2.95 -0.03 0.00 0.00 0.00 0.00 36.38 33.32 3h52 s VAL 658 CO 0.94 -0.12 0.30 -0.94 0.00 0.00 0.00 175.10 175.29 3h52 s SER 659 N -1.93 5.04 0.10 3.32 1.04 -1.26 -4.93 113.70 115.07 3h52 s SER 659 Ca 0.75 -0.69 -0.21 0.00 0.48 0.00 0.00 55.95 56.28 3h52 s SER 659 Cb -0.29 -0.72 -0.10 0.00 0.10 0.00 0.00 66.02 65.01 3h52 s SER 659 CO 0.40 -0.50 1.72 0.22 0.98 0.00 0.00 173.24 176.06 3h52 h TYR 660 N 1.20 0.18 -0.35 5.02 3.20 -1.97 1.11 116.97 125.35 3h52 h TYR 660 Ca -0.43 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 61.47 3h52 h TYR 660 Cb 1.26 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 39.44 3h52 h TYR 660 CO 0.54 0.16 0.16 0.93 -1.64 0.00 0.00 178.16 178.31 3h52 h GLU 661 N 0.14 0.32 -0.11 1.82 5.08 -1.96 0.18 114.58 120.05 3h52 h GLU 661 Ca 0.05 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3h52 h GLU 661 Cb 0.04 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 3h52 h GLU 661 CO -0.01 0.21 0.06 0.93 -1.00 0.00 0.00 179.01 179.20 3h52 h GLU 662 N 0.33 0.15 -0.39 2.33 5.08 -1.79 -2.36 114.58 117.94 3h52 h GLU 662 Ca 0.15 -0.02 0.08 0.00 -1.00 0.00 0.00 59.36 58.57 3h52 h GLU 662 Cb 0.08 -0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.23 3h52 h GLU 662 CO -0.12 0.18 -0.05 -0.92 -1.00 0.00 0.00 179.01 177.10 3h52 h TYR 663 N 0.08 -0.13 -0.03 4.33 3.20 0.17 -1.35 116.97 123.24 3h52 h TYR 663 Ca 0.04 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.89 3h52 h TYR 663 Cb 0.07 0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.45 3h52 h TYR 663 CO -0.04 -0.13 -0.21 -0.07 -1.64 0.00 0.00 178.16 176.06 3h52 h LEU 664 N 0.04 0.04 -0.04 2.82 3.38 -0.56 -0.88 115.31 120.12 3h52 h LEU 664 Ca 0.19 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.12 3h52 h LEU 664 Cb 0.28 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.02 3h52 h LEU 664 CO -0.36 0.26 -0.07 0.00 0.09 0.00 0.00 178.44 178.35 3h52 h MET 666 N -0.40 0.92 -0.11 0.00 2.86 -0.72 -1.61 114.93 115.87 3h52 h MET 666 Ca 0.00 -0.06 -0.08 0.00 -2.06 0.00 0.00 59.70 57.50 3h52 h MET 666 Cb 0.65 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 32.09 3h52 h MET 666 CO 0.02 0.61 -0.31 -0.22 1.06 0.00 0.00 176.91 178.06 3h52 h LYS 667 N 0.95 0.22 0.00 1.72 3.64 -1.25 -0.31 116.57 121.54 3h52 h LYS 667 Ca 0.39 -0.08 -0.14 0.00 -1.27 0.00 0.00 60.65 59.55 3h52 h LYS 667 Cb 0.23 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.02 3h52 h LYS 667 CO -0.19 0.51 -0.68 1.15 -2.27 0.00 0.00 179.45 177.97 3h52 h THR 668 N 0.19 1.39 -0.09 1.00 2.02 -1.28 -2.76 112.91 113.38 3h52 h THR 668 Ca 0.03 -2.41 -0.14 0.00 0.77 0.00 0.00 66.41 64.66 3h52 h THR 668 Cb 0.65 2.34 -0.01 0.00 -1.74 0.00 0.00 68.15 69.39 3h52 h THR 668 CO 0.05 0.67 -0.55 -0.07 0.37 0.00 0.00 175.52 175.98 3h52 h LEU 669 N 0.00 0.30 -1.02 2.58 3.38 -0.67 -2.88 115.31 116.99 3h52 h LEU 669 Ca -0.01 -0.16 0.01 0.00 0.09 0.00 0.00 57.88 57.81 3h52 h LEU 669 Cb 1.28 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.90 3h52 h LEU 669 CO 0.09 0.79 0.63 -0.07 0.09 0.00 0.00 178.44 179.97 3h52 h LEU 670 N 0.21 1.13 -1.67 1.67 3.38 -0.79 -0.66 115.31 118.57 3h52 h LEU 670 Ca 0.00 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3h52 h LEU 670 Cb 1.03 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.50 3h52 h LEU 670 CO 0.09 0.83 0.00 0.25 0.09 0.00 0.00 178.44 179.69 3h52 h LEU 671 N 1.32 0.00 -3.07 1.67 5.85 -1.30 0.00 115.31 119.79 3h52 h LEU 671 Ca 0.35 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 59.03 3h52 h LEU 671 Cb -0.13 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 3h52 h LEU 671 CO -0.07 0.00 -0.47 0.18 -0.34 0.00 0.00 178.44 177.73 3h52 n LEU 672 N -2.54 2.96 0.10 2.25 4.77 -0.31 -4.72 117.00 119.52 3h52 n LEU 672 Ca -0.01 -3.94 -0.00 0.00 -0.03 0.00 0.00 56.01 52.03 3h52 n LEU 672 Cb 0.11 -0.53 -0.02 0.00 -2.33 0.00 0.00 43.42 40.64 3h52 n LEU 672 CO 0.16 1.43 0.26 0.77 -1.33 0.00 0.00 177.39 178.68 3h52 h SER 673 N 1.06 0.00 -3.88 -1.43 4.64 -0.37 -3.47 113.55 110.10 3h52 h SER 673 Ca 0.04 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 60.99 3h52 h SER 673 Cb 1.09 0.00 -0.30 0.00 -0.31 0.00 0.00 62.40 62.88 3h52 h SER 673 CO 0.08 0.62 -0.77 -0.44 -0.87 0.00 0.00 176.83 175.45 3h52 s SER 674 N -6.39 0.88 0.21 4.97 0.01 -1.26 0.32 113.70 112.45 3h52 s SER 674 Ca 0.02 -0.13 0.06 0.00 1.31 0.00 0.00 55.95 57.21 3h52 s SER 674 Cb 0.08 -0.16 -0.05 0.00 0.21 0.00 0.00 66.02 66.10 3h52 s SER 674 CO 0.77 0.06 -0.09 0.68 0.41 0.00 0.00 173.24 175.08 3h52 s VAL 675 N 0.03 1.44 0.02 3.43 -7.23 -0.65 -4.80 120.40 112.64 3h52 s VAL 675 Ca 0.00 -2.12 -0.30 0.00 -1.81 0.00 0.00 61.98 57.75 3h52 s VAL 675 Cb -0.05 -2.15 -0.06 0.00 0.56 0.00 0.00 36.38 34.68 3h52 s VAL 675 CO -0.00 -0.51 1.48 -2.84 -0.31 0.00 0.00 175.10 172.91 3h52 s PRO 676 N -3.73 4.26 0.32 4.82 0.02 -1.26 0.02 135.00 139.45 3h52 s PRO 676 Ca 0.24 2.08 0.10 0.00 0.02 0.00 0.00 61.00 63.43 3h52 s PRO 676 Cb 0.02 -3.57 0.88 0.00 0.02 0.00 0.00 34.50 31.85 3h52 s PRO 676 CO 0.07 -0.62 1.74 -0.22 -0.33 0.00 0.00 177.00 177.64 3h52 h LYS 677 N 7.95 0.58 -1.37 5.54 3.64 0.50 1.00 116.57 134.42 3h52 h LYS 677 Ca -0.39 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.95 3h52 h LYS 677 Cb 1.19 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.87 3h52 h LYS 677 CO 0.91 0.39 0.00 -0.25 -2.27 0.00 0.00 179.45 178.23 3h52 n ASP 678 N -4.83 3.73 -1.61 4.20 10.43 -1.26 -4.96 116.55 122.25 3h52 n ASP 678 Ca 0.26 -2.10 0.00 0.00 2.57 0.00 0.00 54.79 55.52 3h52 n ASP 678 Cb 0.72 -0.70 0.00 0.00 1.84 0.00 0.00 41.12 42.98 3h52 n ASP 678 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3h52 n GLY 679 N 0.87 -4.48 3.84 0.44 0.00 0.35 -4.96 105.19 101.24 3h52 n GLY 679 Ca 0.00 -0.74 -0.31 0.00 0.00 0.00 0.00 46.02 44.97 3h52 n GLY 679 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h52 s LEU 680 N -4.10 3.19 0.08 0.99 1.43 -1.26 -4.68 118.68 114.33 3h52 s LEU 680 Ca 0.00 1.53 -0.18 0.00 -1.03 0.00 0.00 54.13 54.45 3h52 s LEU 680 Cb 0.00 -4.48 -0.09 0.00 0.03 0.00 0.00 46.19 41.65 3h52 s LEU 680 CO 0.00 -1.17 1.48 0.11 0.23 0.00 0.00 176.35 177.00 3h52 h LYS 681 N -0.50 0.48 -3.39 1.70 1.57 -1.97 -3.33 116.57 111.14 3h52 h LYS 681 Ca -0.44 -0.18 -0.73 0.00 -1.87 0.00 0.00 60.65 57.43 3h52 h LYS 681 Cb 1.20 -0.03 -0.34 0.00 0.08 0.00 0.00 32.23 33.14 3h52 h LYS 681 CO 0.59 0.70 0.01 -1.54 -0.57 0.00 0.00 179.45 178.64 3h52 s SER 682 N -6.07 6.25 -0.03 0.86 1.04 -1.26 -4.91 113.70 109.57 3h52 s SER 682 Ca -0.13 -3.64 -0.16 0.00 0.48 0.00 0.00 55.95 52.49 3h52 s SER 682 Cb 0.07 -1.97 -0.32 0.00 0.10 0.00 0.00 66.02 63.90 3h52 s SER 682 CO 0.76 -0.22 0.80 1.56 0.98 0.00 0.00 173.24 177.12 3h52 h GLN 683 N 6.22 0.39 0.00 4.02 1.08 -1.99 -2.61 115.11 122.22 3h52 h GLN 683 Ca 0.15 -0.67 -0.08 0.00 -1.45 0.00 0.00 58.65 56.60 3h52 h GLN 683 Cb 0.83 0.25 -0.01 0.00 -0.05 0.00 0.00 27.48 28.50 3h52 h GLN 683 CO 0.88 1.32 -0.38 0.00 -0.95 0.00 0.00 178.83 179.70 3h52 h ALA 684 N 0.08 1.31 0.12 3.87 0.00 -1.93 0.10 119.26 122.81 3h52 h ALA 684 Ca -0.26 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.30 3h52 h ALA 684 Cb 1.95 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.68 3h52 h ALA 684 CO 0.18 0.47 -0.06 1.25 0.00 0.00 0.00 179.25 181.09 3h52 h LEU 685 N 0.00 -0.14 -0.78 0.00 7.12 -1.98 -2.36 115.31 117.17 3h52 h LEU 685 Ca -0.00 -0.30 0.13 0.00 0.13 0.00 0.00 57.88 57.83 3h52 h LEU 685 Cb 0.70 0.04 -0.09 0.00 -0.53 0.00 0.00 40.66 40.77 3h52 h LEU 685 CO 0.05 0.24 0.37 0.15 -0.13 0.00 0.00 178.44 179.13 3h52 h PHE 686 N -0.55 0.65 -0.15 1.25 3.57 -1.13 0.93 116.94 121.51 3h52 h PHE 686 Ca -0.02 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 3h52 h PHE 686 Cb 0.44 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.00 3h52 h PHE 686 CO 0.05 0.16 0.04 -0.44 -2.23 0.00 0.00 178.31 175.89 3h52 h ASP 687 N 0.57 0.22 -0.76 0.41 3.45 -0.79 0.32 116.42 119.82 3h52 h ASP 687 Ca 0.41 -0.22 0.09 0.00 0.43 0.00 0.00 57.03 57.74 3h52 h ASP 687 Cb 0.56 -0.06 -0.07 0.00 -0.56 0.00 0.00 39.33 39.20 3h52 h ASP 687 CO -0.35 0.38 0.42 0.00 -1.57 0.00 0.00 179.24 178.12 3h52 h ALA 688 N 0.85 1.07 -0.02 3.45 0.00 -0.85 0.57 119.26 124.33 3h52 h ALA 688 Ca 0.05 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3h52 h ALA 688 Cb 0.25 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 3h52 h ALA 688 CO -0.00 0.04 0.01 0.82 0.00 0.00 0.00 179.25 180.12 3h52 h ILE 689 N 0.71 1.15 -0.08 0.00 2.04 -0.43 -1.56 117.51 119.34 3h52 h ILE 689 Ca 0.37 -0.43 -0.00 0.00 1.00 0.00 0.00 64.86 65.80 3h52 h ILE 689 Cb 0.34 1.40 -0.00 0.00 -0.74 0.00 0.00 36.82 37.81 3h52 h ILE 689 CO -0.25 0.11 0.05 -0.09 0.00 0.00 0.00 178.15 177.98 3h52 h ARG 690 N -0.14 0.11 -0.80 2.37 2.43 -0.65 -1.82 114.38 115.88 3h52 h ARG 690 Ca 0.01 -0.01 0.23 0.00 -0.81 0.00 0.00 59.98 59.40 3h52 h ARG 690 Cb 0.18 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.67 3h52 h ARG 690 CO -0.00 0.11 0.58 1.98 -1.51 0.00 0.00 179.97 181.13 3h52 h MET 691 N 0.07 0.03 -0.08 0.20 4.05 -0.82 0.11 114.93 118.48 3h52 h MET 691 Ca 0.03 -0.00 -0.23 0.00 -0.28 0.00 0.00 59.70 59.22 3h52 h MET 691 Cb 0.03 -0.01 0.01 0.00 -0.80 0.00 0.00 31.60 30.84 3h52 h MET 691 CO -0.01 0.02 -0.83 1.15 0.23 0.00 0.00 176.91 177.47 3h52 h THR 692 N 0.03 1.30 0.02 -0.77 2.02 -0.43 -2.79 112.91 112.28 3h52 h THR 692 Ca 0.38 -2.06 -0.21 0.00 0.77 0.00 0.00 66.41 65.29 3h52 h THR 692 Cb 1.50 2.19 -0.01 0.00 -1.74 0.00 0.00 68.15 70.09 3h52 h THR 692 CO -0.02 0.64 -0.94 1.88 0.37 0.00 0.00 175.52 177.46 3h52 h TYR 693 N 0.40 0.37 -0.55 3.16 0.05 -0.92 -1.20 116.97 118.28 3h52 h TYR 693 Ca -0.08 -0.21 0.07 0.00 0.05 0.00 0.00 58.73 58.55 3h52 h TYR 693 Cb 1.48 -0.04 -0.06 0.00 1.01 0.00 0.00 36.73 39.13 3h52 h TYR 693 CO 0.10 1.05 0.24 0.82 -1.05 0.00 0.00 178.16 179.32 3h52 h ILE 694 N 0.12 0.87 -0.21 -2.88 2.04 -0.90 0.03 117.51 116.59 3h52 h ILE 694 Ca -0.06 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.65 3h52 h ILE 694 Cb 1.58 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 38.03 3h52 h ILE 694 CO 0.15 0.08 0.14 0.11 0.00 0.00 0.00 178.15 178.63 3h52 h LYS 695 N 0.46 0.27 -0.76 2.37 1.57 -1.40 -1.77 116.57 117.30 3h52 h LYS 695 Ca 0.26 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 59.03 3h52 h LYS 695 Cb 0.24 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.45 3h52 h LYS 695 CO -0.22 0.18 0.50 1.49 -0.57 0.00 0.00 179.45 180.83 3h52 h GLU 696 N 0.28 1.01 -0.62 3.15 4.57 -0.54 0.26 114.58 122.69 3h52 h GLU 696 Ca 0.08 -0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 58.18 3h52 h GLU 696 Cb -0.02 -0.23 -0.03 0.00 -0.16 0.00 0.00 28.75 28.31 3h52 h GLU 696 CO -0.02 0.68 0.35 1.25 -1.18 0.00 0.00 179.01 180.08 3h52 h LEU 697 N 1.04 0.76 -0.87 1.64 5.85 -0.80 0.24 115.31 123.16 3h52 h LEU 697 Ca 0.28 -0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.96 3h52 h LEU 697 Cb -0.11 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 40.69 3h52 h LEU 697 CO -0.06 0.61 0.58 1.23 -0.34 0.00 0.00 178.44 180.46 3h52 h GLY 698 N 0.92 1.23 1.47 3.75 0.00 0.29 -0.50 103.07 110.23 3h52 h GLY 698 Ca 0.22 -0.46 -0.14 0.00 0.00 0.00 0.00 47.33 46.95 3h52 h GLY 698 CO -0.04 0.45 -0.46 0.50 0.00 0.00 0.00 176.54 176.99 3h52 h LYS 699 N 1.18 0.58 -0.31 4.80 1.57 -0.14 -2.70 116.57 121.55 3h52 h LYS 699 Ca 0.32 -0.32 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 3h52 h LYS 699 Cb -0.13 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 3h52 h LYS 699 CO -0.07 0.92 0.07 0.00 -0.57 0.00 0.00 179.45 179.79 3h52 h ALA 700 N 1.04 0.41 -0.24 3.86 0.00 -0.10 -1.46 119.26 122.76 3h52 h ALA 700 Ca 0.03 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 54.81 3h52 h ALA 700 Cb 0.98 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.60 3h52 h ALA 700 CO 0.09 0.08 -0.07 0.82 0.00 0.00 0.00 179.25 180.17 3h52 h ILE 701 N 0.34 0.73 -0.09 0.00 2.04 -1.11 -2.69 117.51 116.73 3h52 h ILE 701 Ca 0.10 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.94 3h52 h ILE 701 Cb 0.31 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 3h52 h ILE 701 CO 0.00 0.00 -0.02 0.58 0.00 0.00 0.00 178.15 178.71 3h52 h VAL 702 N -0.02 1.08 0.00 1.67 2.07 -1.21 -2.60 116.25 117.24 3h52 h VAL 702 Ca 0.12 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 3h52 h VAL 702 Cb 0.20 1.03 -0.00 0.00 -1.52 0.00 0.00 31.29 31.00 3h52 h VAL 702 CO -0.26 0.10 -0.04 0.50 0.02 0.00 0.00 177.57 177.89 3h52 h LYS 703 N 0.12 0.00 0.00 1.57 3.11 -0.91 0.42 116.57 120.88 3h52 h LYS 703 Ca 0.03 0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 57.85 3h52 h LYS 703 Cb 0.12 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.35 3h52 h LYS 703 CO 0.00 0.04 -0.12 0.00 -2.81 0.00 0.00 179.45 176.57 3h52 h ARG 704 N 0.00 0.00 -0.60 1.90 3.08 -1.54 -3.50 114.38 113.71 3h52 h ARG 704 Ca -0.00 0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.12 3h52 h ARG 704 Cb 0.18 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 3h52 h ARG 704 CO 0.01 0.12 -0.13 0.39 -1.07 0.00 0.00 179.97 179.28 3h52 n GLU 705 N -3.14 -0.55 0.00 0.04 1.02 0.15 -5.12 120.64 113.03 3h52 n GLU 705 Ca 0.03 0.39 0.00 0.00 -0.02 0.00 0.00 57.16 57.56 3h52 n GLU 705 Cb 0.54 -0.67 0.00 0.00 -0.02 0.00 0.00 31.44 31.29 3h52 n GLU 705 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3h52 n GLY 706 N -2.21 2.55 3.57 0.62 0.00 -1.26 -4.93 105.19 103.53 3h52 n GLY 706 Ca -0.00 -2.07 -0.33 0.00 0.00 0.00 0.00 46.02 43.61 3h52 n GLY 706 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3h52 n ASN 707 N 0.00 -0.31 0.11 1.61 3.02 -1.26 -4.81 115.26 113.62 3h52 n ASN 707 Ca 0.00 0.49 0.11 0.00 -0.03 0.00 0.00 54.58 55.16 3h52 n ASN 707 Cb 0.00 -1.37 0.46 0.00 -0.61 0.00 0.00 39.78 38.26 3h52 n ASN 707 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3h52 n SER 708 N -2.36 0.57 -0.02 6.41 3.41 -1.26 -1.97 113.62 118.40 3h52 n SER 708 Ca 0.11 0.63 -0.18 0.00 -0.26 0.00 0.00 58.87 59.17 3h52 n SER 708 Cb 0.51 -0.76 -0.14 0.00 -0.26 0.00 0.00 64.21 63.57 3h52 n SER 708 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3h52 h SER 709 N 0.00 0.22 -0.67 4.04 4.64 -1.99 -3.24 113.55 116.54 3h52 h SER 709 Ca 0.00 -0.92 0.04 0.00 -0.47 0.00 0.00 61.79 60.45 3h52 h SER 709 Cb 0.37 -0.07 -0.04 0.00 -0.31 0.00 0.00 62.40 62.35 3h52 h SER 709 CO 0.00 1.27 0.44 1.56 -0.87 0.00 0.00 176.83 179.24 3h52 h GLN 710 N -0.68 0.74 -0.03 4.77 4.20 -1.83 0.14 115.11 122.42 3h52 h GLN 710 Ca -0.13 -0.04 -0.18 0.00 0.06 0.00 0.00 58.65 58.36 3h52 h GLN 710 Cb 1.37 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.97 3h52 h GLN 710 CO 0.04 0.49 -0.77 -0.91 -0.67 0.00 0.00 178.83 177.02 3h52 h ASN 711 N 0.76 0.29 -0.12 1.46 -0.26 -1.55 0.17 115.58 116.34 3h52 h ASN 711 Ca 0.28 -0.21 -0.14 0.00 -0.56 0.00 0.00 56.30 55.67 3h52 h ASN 711 Cb 0.14 -0.09 -0.01 0.00 -1.06 0.00 0.00 38.32 37.30 3h52 h ASN 711 CO -0.08 0.95 -0.40 0.28 -1.06 0.00 0.00 177.43 177.12 3h52 h SER 712 N 0.15 0.68 -0.30 5.81 0.02 -1.41 0.92 113.55 119.42 3h52 h SER 712 Ca -0.03 -0.31 -0.02 0.00 -0.84 0.00 0.00 61.79 60.60 3h52 h SER 712 Cb 1.34 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.68 3h52 h SER 712 CO 0.12 1.00 0.13 -0.61 -1.14 0.00 0.00 176.83 176.33 3h52 h GLN 713 N 0.53 0.44 -0.56 3.45 4.15 -0.58 -2.39 115.11 120.16 3h52 h GLN 713 Ca 0.05 -0.08 -0.11 0.00 0.77 0.00 0.00 58.65 59.28 3h52 h GLN 713 Cb 0.92 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.52 3h52 h GLN 713 CO 0.08 0.45 -0.09 -0.09 -1.93 0.00 0.00 178.83 177.25 3h52 h ARG 714 N 0.34 1.05 0.30 1.69 2.43 -0.58 -0.60 114.38 119.01 3h52 h ARG 714 Ca 0.10 -0.38 -0.01 0.00 -0.81 0.00 0.00 59.98 58.88 3h52 h ARG 714 Cb 0.16 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.64 3h52 h ARG 714 CO -0.01 1.07 -0.18 0.35 -1.51 0.00 0.00 179.97 179.69 3h52 h PHE 715 N 0.93 -0.48 -0.49 2.20 3.57 -0.81 -1.00 116.94 120.87 3h52 h PHE 715 Ca 0.15 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.74 3h52 h PHE 715 Cb 0.66 0.17 -0.10 0.00 2.79 0.00 0.00 35.95 39.46 3h52 h PHE 715 CO 0.04 -0.29 -0.28 -0.92 -2.23 0.00 0.00 178.31 174.64 3h52 h TYR 716 N -0.47 -0.75 -0.06 0.41 3.20 -1.31 0.59 116.97 118.58 3h52 h TYR 716 Ca -0.03 0.06 0.03 0.00 3.14 0.00 0.00 58.73 61.92 3h52 h TYR 716 Cb 0.38 0.40 -0.03 0.00 1.54 0.00 0.00 36.73 39.03 3h52 h TYR 716 CO -0.09 -0.35 -0.09 1.96 -1.64 0.00 0.00 178.16 177.95 3h52 h GLN 717 N -0.17 -0.12 -0.17 1.82 4.20 -0.83 0.63 115.11 120.47 3h52 h GLN 717 Ca 0.21 0.01 -0.20 0.00 0.06 0.00 0.00 58.65 58.73 3h52 h GLN 717 Cb 0.51 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.33 3h52 h GLN 717 CO -0.58 -0.08 -0.70 -0.07 -0.67 0.00 0.00 178.83 176.73 3h52 h LEU 718 N -0.12 0.85 -1.10 1.46 3.38 -0.97 -0.63 115.31 118.17 3h52 h LEU 718 Ca 0.06 -0.52 -0.07 0.00 0.09 0.00 0.00 57.88 57.43 3h52 h LEU 718 Cb 0.20 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 3h52 h LEU 718 CO -0.14 1.31 -0.17 0.71 0.09 0.00 0.00 178.44 180.24 3h52 h THR 719 N 0.52 1.23 -0.45 0.22 1.35 -0.73 0.11 112.91 115.17 3h52 h THR 719 Ca -0.03 -1.06 -0.03 0.00 -0.55 0.00 0.00 66.41 64.74 3h52 h THR 719 Cb 1.31 1.23 -0.02 0.00 -1.73 0.00 0.00 68.15 68.94 3h52 h THR 719 CO 0.14 0.34 0.17 0.50 -0.25 0.00 0.00 175.52 176.42 3h52 h LYS 720 N 0.40 0.68 0.44 4.72 1.63 0.50 -1.92 116.57 123.02 3h52 h LYS 720 Ca 0.07 -0.13 -0.01 0.00 -0.85 0.00 0.00 60.65 59.73 3h52 h LYS 720 Cb 0.53 -0.11 -0.03 0.00 -0.60 0.00 0.00 32.23 32.03 3h52 h LYS 720 CO 0.03 0.63 -0.52 1.25 -3.45 0.00 0.00 179.45 177.39 3h52 h LEU 721 N 0.58 -1.45 -0.90 5.20 6.46 -0.27 0.10 115.31 125.04 3h52 h LEU 721 Ca 0.15 0.12 0.24 0.00 -0.12 0.00 0.00 57.88 58.27 3h52 h LEU 721 Cb 0.21 0.49 -0.15 0.00 -0.73 0.00 0.00 40.66 40.47 3h52 h LEU 721 CO -0.01 -0.66 0.15 -0.07 -0.62 0.00 0.00 178.44 177.24 3h52 h LEU 722 N -0.98 -0.18 -0.85 2.25 3.38 -0.78 0.30 115.31 118.46 3h52 h LEU 722 Ca -0.05 0.22 -0.08 0.00 0.09 0.00 0.00 57.88 58.06 3h52 h LEU 722 Cb 0.86 0.34 -0.02 0.00 0.09 0.00 0.00 40.66 41.93 3h52 h LEU 722 CO -0.10 -0.23 -0.01 0.44 0.09 0.00 0.00 178.44 178.63 3h52 h ASP 723 N 0.13 0.82 0.35 -0.43 3.32 -0.60 -2.42 116.42 117.58 3h52 h ASP 723 Ca 0.56 -0.21 0.00 0.00 0.02 0.00 0.00 57.03 57.40 3h52 h ASP 723 Cb 1.14 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.47 3h52 h ASP 723 CO -0.74 0.89 0.00 -1.54 -1.72 0.00 0.00 179.24 176.13 3h52 n SER 724 N -4.20 0.00 0.19 6.45 3.41 0.10 -2.29 113.62 117.28 3h52 n SER 724 Ca 0.03 0.11 0.06 0.00 -0.26 0.00 0.00 58.87 58.81 3h52 n SER 724 Cb 0.31 -0.32 0.33 0.00 -0.26 0.00 0.00 64.21 64.28 3h52 n SER 724 CO 0.00 0.00 0.00 0.24 -0.16 0.00 0.00 175.04 175.12 3h52 h MET 725 N 0.00 0.00 -0.88 4.33 2.86 -1.05 -2.75 114.93 117.45 3h52 h MET 725 Ca 0.00 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.65 3h52 h MET 725 Cb 0.17 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.79 3h52 h MET 725 CO 0.00 0.36 0.58 0.45 1.06 0.00 0.00 176.91 179.36 3h52 h HIS 726 N 0.00 1.10 0.04 -0.22 3.86 -1.63 0.29 115.15 118.60 3h52 h HIS 726 Ca -0.00 0.03 -0.24 0.00 -1.16 0.00 0.00 60.37 59.00 3h52 h HIS 726 Cb 0.91 -0.37 0.00 0.00 1.06 0.00 0.00 27.41 29.01 3h52 h HIS 726 CO 0.00 0.69 -1.03 1.05 0.86 0.00 0.00 177.93 179.50 3h52 h GLU 727 N 1.18 0.33 -0.41 2.45 4.11 -1.73 0.23 114.58 120.74 3h52 h GLU 727 Ca 0.32 -0.41 -0.10 0.00 0.07 0.00 0.00 59.36 59.24 3h52 h GLU 727 Cb -0.13 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 3h52 h GLU 727 CO -0.07 1.12 -0.15 -0.39 0.07 0.00 0.00 179.01 179.59 3h52 h VAL 728 N 0.16 1.26 0.60 -1.06 -1.51 -1.35 -1.12 116.25 113.23 3h52 h VAL 728 Ca -0.09 -1.22 -0.03 0.00 -1.23 0.00 0.00 66.70 64.13 3h52 h VAL 728 Cb 1.70 1.10 0.01 0.00 -2.13 0.00 0.00 31.29 31.96 3h52 h VAL 728 CO 0.17 0.41 -0.29 0.58 -1.23 0.00 0.00 177.57 177.21 3h52 h VAL 729 N 0.68 0.32 -0.98 7.19 2.07 -0.28 0.14 116.25 125.39 3h52 h VAL 729 Ca 0.11 -0.24 0.20 0.00 0.82 0.00 0.00 66.70 67.58 3h52 h VAL 729 Cb 0.63 0.40 -0.09 0.00 -1.52 0.00 0.00 31.29 30.71 3h52 h VAL 729 CO 0.04 0.03 0.61 -0.08 0.02 0.00 0.00 177.57 178.20 3h52 h GLU 730 N -0.99 0.61 -0.03 1.57 4.81 -0.50 0.52 114.58 120.58 3h52 h GLU 730 Ca -0.08 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.08 3h52 h GLU 730 Cb 0.67 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.91 3h52 h GLU 730 CO 0.14 0.41 -0.09 -0.91 -0.73 0.00 0.00 179.01 177.83 3h52 h ASN 731 N 0.63 0.12 -0.14 1.04 2.35 -1.07 0.16 115.58 118.67 3h52 h ASN 731 Ca 0.54 -0.62 -0.04 0.00 -0.55 0.00 0.00 56.30 55.62 3h52 h ASN 731 Cb 1.02 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 39.34 3h52 h ASN 731 CO -0.30 0.72 -0.03 -0.07 -1.65 0.00 0.00 177.43 176.10 3h52 h LEU 732 N -0.48 0.38 -0.37 1.61 3.38 0.13 -1.69 115.31 118.27 3h52 h LEU 732 Ca -0.00 -0.07 -0.18 0.00 0.09 0.00 0.00 57.88 57.72 3h52 h LEU 732 Cb 0.71 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 3h52 h LEU 732 CO 0.02 0.46 -0.82 -0.07 0.09 0.00 0.00 178.44 178.12 3h52 h LEU 733 N 0.39 0.18 0.48 1.67 4.07 -0.03 -2.94 115.31 119.14 3h52 h LEU 733 Ca 0.08 -0.14 -0.02 0.00 0.08 0.00 0.00 57.88 57.88 3h52 h LEU 733 Cb 0.31 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 42.00 3h52 h LEU 733 CO 0.01 0.92 -0.23 0.78 -1.08 0.00 0.00 178.44 178.84 3h52 h ASN 734 N 0.08 -0.55 -1.02 -0.43 4.21 -0.06 0.36 115.58 118.17 3h52 h ASN 734 Ca -0.03 0.01 0.26 0.00 1.21 0.00 0.00 56.30 57.75 3h52 h ASN 734 Cb 1.42 0.14 -0.12 0.00 -1.12 0.00 0.00 38.32 38.65 3h52 h ASN 734 CO 0.12 -0.38 0.61 0.22 -1.29 0.00 0.00 177.43 176.71 3h52 h TYR 735 N -0.66 0.94 0.00 1.19 5.03 -1.42 -0.74 116.97 121.30 3h52 h TYR 735 Ca -0.07 0.03 -0.10 0.00 2.58 0.00 0.00 58.73 61.18 3h52 h TYR 735 Cb 0.51 -0.27 -0.01 0.00 1.55 0.00 0.00 36.73 38.51 3h52 h TYR 735 CO -0.04 0.04 -0.46 0.00 -1.32 0.00 0.00 178.16 176.38 3h52 h PHE 737 N 0.00 0.00 -0.86 0.00 0.05 0.50 -0.72 116.94 115.91 3h52 h PHE 737 Ca -0.00 0.00 -0.49 0.00 3.82 0.00 0.00 57.97 61.30 3h52 h PHE 737 Cb 1.04 0.00 -0.26 0.00 2.00 0.00 0.00 35.95 38.72 3h52 h PHE 737 CO 0.00 0.00 0.62 1.04 -0.18 0.00 0.00 178.31 179.79 3h52 n GLN 738 N -2.38 2.19 0.05 1.51 6.02 -0.72 -2.88 117.38 121.17 3h52 n GLN 738 Ca 0.03 -2.66 0.12 0.00 -0.01 0.00 0.00 57.00 54.48 3h52 n GLN 738 Cb 0.32 -2.04 0.06 0.00 1.02 0.00 0.00 30.24 29.60 3h52 n GLN 738 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 3h52 n THR 739 N -0.82 0.30 0.07 5.09 -1.04 -0.28 -4.70 114.28 112.90 3h52 n THR 739 Ca 0.52 -0.31 0.01 0.00 -2.04 0.00 0.00 64.05 62.23 3h52 n THR 739 Cb 1.26 -0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.77 3h52 n THR 739 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 3h52 n PHE 740 N -2.14 0.00 -2.28 -1.42 3.01 -1.14 -5.14 117.46 108.35 3h52 n PHE 740 Ca 0.02 0.00 -0.03 0.00 1.01 0.00 0.00 57.45 58.45 3h52 n PHE 740 Cb 0.46 0.00 0.03 0.00 -0.01 0.00 0.00 39.48 39.96 3h52 n PHE 740 CO 0.00 0.00 0.00 -0.11 1.01 0.00 0.00 176.76 177.66 3h52 n LEU 741 N -0.40 -0.92 -3.29 4.37 0.00 -1.22 -5.14 117.00 110.40 3h52 n LEU 741 Ca 0.01 -2.11 -0.08 0.00 0.00 0.00 0.00 56.01 53.83 3h52 n LEU 741 Cb 0.03 0.18 -0.06 0.00 0.00 0.00 0.00 43.42 43.58 3h52 n LEU 741 CO 0.02 1.40 -0.05 -0.70 0.00 0.00 0.00 177.39 178.05 3h52 s GLU 751 N 0.05 0.42 0.00 1.96 2.12 -1.26 -5.04 118.70 116.96 3h52 s GLU 751 Ca 0.04 0.23 0.00 0.00 0.36 0.00 0.00 54.97 55.60 3h52 s GLU 751 Cb 0.18 -0.27 0.00 0.00 0.26 0.00 0.00 34.13 34.31 3h52 s GLU 751 CO -0.05 -0.98 0.00 -1.33 -0.54 0.00 0.00 175.26 172.36 3h52 n MET 752 N 5.36 0.00 0.28 4.30 2.81 -1.26 -4.26 117.12 124.35 3h52 n MET 752 Ca 0.00 0.00 0.17 0.00 -1.81 0.00 0.00 57.70 56.07 3h52 n MET 752 Cb 0.50 -0.37 0.74 0.00 -0.71 0.00 0.00 33.22 33.38 3h52 n MET 752 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 3h52 h LEU 753 N 0.00 0.00 -0.96 4.03 4.07 -2.01 -3.05 115.31 117.39 3h52 h LEU 753 Ca 0.00 0.00 0.02 0.00 0.08 0.00 0.00 57.88 57.98 3h52 h LEU 753 Cb 0.00 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 41.69 3h52 h LEU 753 CO 0.00 0.03 0.63 0.00 -1.08 0.00 0.00 178.44 178.02 3h52 h ALA 754 N 1.97 1.24 -0.07 1.53 0.00 -1.99 -1.37 119.26 120.57 3h52 h ALA 754 Ca -0.00 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.86 3h52 h ALA 754 Cb 0.45 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3h52 h ALA 754 CO 0.00 0.57 0.01 1.05 0.00 0.00 0.00 179.25 180.88 3h52 h GLU 755 N 1.27 0.03 -0.05 0.00 9.09 -1.71 -2.31 114.58 120.90 3h52 h GLU 755 Ca 0.36 -0.00 -0.10 0.00 0.05 0.00 0.00 59.36 59.67 3h52 h GLU 755 Cb -0.10 -0.01 -0.01 0.00 -1.65 0.00 0.00 28.75 26.98 3h52 h GLU 755 CO -0.09 0.02 -0.44 0.82 0.05 0.00 0.00 179.01 179.37 3h52 h ILE 756 N 0.03 1.32 -0.11 -1.06 5.03 -1.67 -3.09 117.51 117.97 3h52 h ILE 756 Ca 0.03 -1.55 -0.21 0.00 -0.12 0.00 0.00 64.86 63.01 3h52 h ILE 756 Cb 0.03 1.77 0.00 0.00 -3.03 0.00 0.00 36.82 35.60 3h52 h ILE 756 CO -0.05 0.45 -0.78 0.40 -0.68 0.00 0.00 178.15 177.50 3h52 h ILE 757 N 0.10 1.33 -0.25 -0.67 2.04 -1.00 -1.98 117.51 117.08 3h52 h ILE 757 Ca 0.01 -2.08 -0.14 0.00 1.00 0.00 0.00 64.86 63.64 3h52 h ILE 757 Cb 0.82 2.08 -0.01 0.00 -0.74 0.00 0.00 36.82 38.96 3h52 h ILE 757 CO 0.06 0.64 -0.44 0.71 0.00 0.00 0.00 178.15 179.13 3h52 h THR 758 N 0.41 1.30 0.00 -0.27 1.35 -1.51 -2.84 112.91 111.34 3h52 h THR 758 Ca -0.05 -1.62 0.00 0.00 -0.55 0.00 0.00 66.41 64.19 3h52 h THR 758 Cb 1.39 1.58 0.00 0.00 -1.73 0.00 0.00 68.15 69.39 3h52 h THR 758 CO 0.15 0.51 0.00 0.59 -0.25 0.00 0.00 175.52 176.52 3h52 n ASN 759 N -4.02 0.00 -0.09 5.36 5.03 -1.10 -3.47 115.26 116.97 3h52 n ASN 759 Ca -0.02 -0.92 -0.14 0.00 0.87 0.00 0.00 54.58 54.37 3h52 n ASN 759 Cb 0.54 0.00 -0.05 0.00 -1.02 0.00 0.00 39.78 39.25 3h52 n ASN 759 CO 0.00 0.00 0.00 1.67 -1.83 0.00 0.00 177.26 177.10 3h52 n GLN 760 N -0.94 0.48 -2.81 3.52 -0.06 -0.76 -5.05 117.38 111.77 3h52 n GLN 760 Ca 0.17 0.20 -0.43 0.00 -2.00 0.00 0.00 57.00 54.94 3h52 n GLN 760 Cb 0.08 -1.33 -0.04 0.00 -4.06 0.00 0.00 30.24 24.88 3h52 n GLN 760 CO 0.00 0.00 0.00 0.42 -0.20 0.00 0.00 177.06 177.28 3h52 s ILE 761 N -2.69 4.36 -0.39 1.69 1.09 -1.08 -5.07 121.20 119.11 3h52 s ILE 761 Ca -0.28 0.39 0.07 0.00 -1.10 0.00 0.00 60.65 59.73 3h52 s ILE 761 Cb 0.07 -4.55 0.57 0.00 -1.06 0.00 0.00 42.46 37.48 3h52 s ILE 761 CO 0.40 -1.11 1.54 0.59 -0.10 0.00 0.00 174.94 176.25 3h52 n ASN 766 N 7.54 4.13 0.00 3.58 3.02 -1.26 -5.03 115.26 127.24 3h52 n ASN 766 Ca 0.03 -2.91 0.00 0.00 -0.03 0.00 0.00 54.58 51.67 3h52 n ASN 766 Cb 0.48 -0.69 0.00 0.00 -0.61 0.00 0.00 39.78 38.96 3h52 n ASN 766 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3h52 n GLY 767 N -0.05 0.17 0.25 7.41 0.00 -1.26 -4.35 105.19 107.36 3h52 n GLY 767 Ca 0.31 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.35 3h52 n GLY 767 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 3h52 h ASN 768 N 0.00 0.28 -2.89 1.61 -0.00 -2.01 -3.41 115.58 109.15 3h52 h ASN 768 Ca 0.00 -0.05 -0.56 0.00 -0.00 0.00 0.00 56.30 55.69 3h52 h ASN 768 Cb 0.00 -0.07 -0.04 0.00 -0.00 0.00 0.00 38.32 38.20 3h52 h ASN 768 CO 0.00 0.39 1.17 -0.63 -0.00 0.00 0.00 177.43 178.36 3h52 s ILE 769 N -4.85 3.69 0.46 2.57 1.01 -1.26 0.11 121.20 122.93 3h52 s ILE 769 Ca -0.06 0.67 -0.20 0.00 0.00 0.00 0.00 60.65 61.06 3h52 s ILE 769 Cb 0.16 -4.03 -0.10 0.00 0.01 0.00 0.00 42.46 38.50 3h52 s ILE 769 CO 0.73 -0.71 0.98 -0.75 0.00 0.00 0.00 174.94 175.19 3h52 s LYS 770 N 5.45 4.06 -0.35 2.79 2.20 0.10 -4.85 119.74 129.14 3h52 s LYS 770 Ca 0.67 1.17 0.01 0.00 -0.36 0.00 0.00 55.97 57.46 3h52 s LYS 770 Cb -0.16 -2.15 0.09 0.00 -1.51 0.00 0.00 37.83 34.10 3h52 s LYS 770 CO 0.31 -0.19 0.08 0.15 -0.36 0.00 0.00 175.35 175.34 3h52 s LYS 771 N -3.30 1.87 -0.06 4.03 1.02 -1.26 -1.64 119.74 120.40 3h52 s LYS 771 Ca 0.63 -1.71 -0.29 0.00 0.02 0.00 0.00 55.97 54.61 3h52 s LYS 771 Cb -0.11 -3.29 -0.07 0.00 -0.52 0.00 0.00 37.83 33.83 3h52 s LYS 771 CO 0.17 -0.90 1.96 -0.51 -0.92 0.00 0.00 175.35 175.15 3h52 s LEU 772 N 1.05 4.14 -0.09 3.17 1.43 0.15 -4.97 118.68 123.55 3h52 s LEU 772 Ca 0.06 2.34 -0.03 0.00 -1.03 0.00 0.00 54.13 55.46 3h52 s LEU 772 Cb -0.20 -3.53 -0.03 0.00 0.03 0.00 0.00 46.19 42.45 3h52 s LEU 772 CO -0.05 -1.28 0.03 -0.76 0.23 0.00 0.00 176.35 174.52 3h52 s LEU 773 N 5.40 3.76 -0.04 1.79 1.43 -1.26 -4.89 118.68 124.87 3h52 s LEU 773 Ca 0.88 0.21 -0.23 0.00 -1.03 0.00 0.00 54.13 53.97 3h52 s LEU 773 Cb -0.38 -1.87 -0.25 0.00 0.03 0.00 0.00 46.19 43.72 3h52 s LEU 773 CO 0.38 0.38 1.02 -0.26 0.23 0.00 0.00 176.35 178.10 3h52 h PHE 774 N 5.14 0.40 -2.73 0.29 0.04 -1.94 -3.47 116.94 114.67 3h52 h PHE 774 Ca -0.52 -0.23 -0.63 0.00 2.80 0.00 0.00 57.97 59.40 3h52 h PHE 774 Cb 1.20 -0.04 -0.16 0.00 2.20 0.00 0.00 35.95 39.15 3h52 h PHE 774 CO 0.66 1.06 -0.78 -1.01 -0.60 0.00 0.00 178.31 177.64 3h52 s HIS 775 N -3.02 2.35 0.00 -0.55 3.76 -1.26 -5.10 115.29 111.47 3h52 s HIS 775 Ca -0.15 -0.33 0.00 0.00 -0.15 0.00 0.00 55.06 54.44 3h52 s HIS 775 Cb 0.02 -1.10 0.00 0.00 1.11 0.00 0.00 32.58 32.61 3h52 s HIS 775 CO 0.78 0.59 0.12 0.00 -0.85 0.00 0.00 174.74 175.38