#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h52 s LEU 528 N 0.00 1.73 0.25 -0.89 0.05 -1.26 -5.13 118.68 113.43 3h52 s LEU 528 Ca 0.00 -0.43 -0.27 0.00 0.05 0.00 0.00 54.13 53.48 3h52 s LEU 528 Cb 0.00 -1.10 -0.09 0.00 -2.05 0.00 0.00 46.19 42.95 3h52 s LEU 528 CO 0.00 0.02 0.89 0.42 -0.55 0.00 0.00 176.35 177.13 3h52 s THR 529 N 0.98 4.22 0.89 5.48 -4.23 -1.26 -5.03 115.64 116.69 3h52 s THR 529 Ca -0.07 1.86 -0.13 0.00 -1.18 0.00 0.00 61.69 62.17 3h52 s THR 529 Cb -0.15 -4.15 0.13 0.00 1.34 0.00 0.00 72.50 69.67 3h52 s THR 529 CO -0.02 0.36 1.17 -2.84 -0.54 0.00 0.00 174.62 172.76 3h52 s PRO 530 N -1.52 1.30 0.89 3.99 0.02 -1.26 -5.03 135.00 133.39 3h52 s PRO 530 Ca 0.43 0.12 -0.11 0.00 0.02 0.00 0.00 61.00 61.46 3h52 s PRO 530 Cb -0.22 -1.87 0.12 0.00 0.02 0.00 0.00 34.50 32.55 3h52 s PRO 530 CO 0.27 -2.05 1.09 0.99 -0.33 0.00 0.00 177.00 176.97 3h52 s THR 531 N -3.46 2.70 0.12 0.99 2.01 -1.26 -4.79 115.64 111.95 3h52 s THR 531 Ca 0.65 0.23 -0.29 0.00 0.31 0.00 0.00 61.69 62.58 3h52 s THR 531 Cb -0.12 -2.65 -0.08 0.00 0.01 0.00 0.00 72.50 69.66 3h52 s THR 531 CO 0.52 -0.30 1.60 0.25 -0.69 0.00 0.00 174.62 176.00 3h52 h LEU 532 N -1.55 -1.07 -0.80 4.42 5.85 -1.99 0.06 115.31 120.23 3h52 h LEU 532 Ca -0.48 0.13 0.18 0.00 0.84 0.00 0.00 57.88 58.54 3h52 h LEU 532 Cb 1.27 0.41 -0.11 0.00 0.37 0.00 0.00 40.66 42.60 3h52 h LEU 532 CO 0.53 -0.44 0.27 0.58 -0.34 0.00 0.00 178.44 179.04 3h52 h VAL 533 N -0.57 0.51 -0.51 1.05 2.07 -1.99 0.97 116.25 117.78 3h52 h VAL 533 Ca 0.04 -0.12 -0.04 0.00 0.82 0.00 0.00 66.70 67.40 3h52 h VAL 533 Cb 0.62 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 3h52 h VAL 533 CO -0.24 0.06 0.16 -1.28 0.02 0.00 0.00 177.57 176.30 3h52 h SER 534 N 0.34 0.74 -0.72 0.57 0.87 -1.73 -2.11 113.55 111.52 3h52 h SER 534 Ca 0.47 -0.20 0.01 0.00 -1.23 0.00 0.00 61.79 60.84 3h52 h SER 534 Cb 0.82 -0.19 -0.04 0.00 -0.44 0.00 0.00 62.40 62.55 3h52 h SER 534 CO -0.51 0.75 0.47 -0.07 -0.53 0.00 0.00 176.83 176.94 3h52 h LEU 535 N 0.69 0.80 -2.15 2.23 4.07 0.74 -2.02 115.31 119.67 3h52 h LEU 535 Ca 0.16 -0.02 -0.01 0.00 0.08 0.00 0.00 57.88 58.10 3h52 h LEU 535 Cb 0.27 -0.19 -0.00 0.00 1.08 0.00 0.00 40.66 41.81 3h52 h LEU 535 CO -0.01 0.57 -0.04 -0.07 -1.08 0.00 0.00 178.44 177.81 3h52 h LEU 536 N 0.95 0.00 0.06 1.67 3.38 -0.39 -1.86 115.31 119.11 3h52 h LEU 536 Ca 0.27 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.97 3h52 h LEU 536 Cb -0.08 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.68 3h52 h LEU 536 CO -0.07 0.04 -1.19 -0.08 0.09 0.00 0.00 178.44 177.23 3h52 h GLU 537 N 0.00 0.37 -0.18 1.13 4.81 -0.73 -3.20 114.58 116.78 3h52 h GLU 537 Ca -0.00 -0.55 -0.18 0.00 -0.13 0.00 0.00 59.36 58.50 3h52 h GLU 537 Cb 0.27 0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.84 3h52 h GLU 537 CO 0.01 1.23 -0.62 0.28 -0.73 0.00 0.00 179.01 179.18 3h52 h VAL 538 N 0.14 1.32 -0.14 0.32 2.07 -0.79 -3.17 116.25 116.00 3h52 h VAL 538 Ca -0.14 -1.88 0.00 0.00 0.82 0.00 0.00 66.70 65.50 3h52 h VAL 538 Cb 1.89 1.84 0.00 0.00 -1.52 0.00 0.00 31.29 33.50 3h52 h VAL 538 CO 0.21 0.59 0.00 2.30 0.02 0.00 0.00 177.57 180.68 3h52 n ILE 539 N -3.94 0.17 -1.84 4.57 -5.35 -0.85 -4.83 119.36 107.28 3h52 n ILE 539 Ca -0.04 -0.39 -0.42 0.00 -0.27 0.00 0.00 62.75 61.63 3h52 n ILE 539 Cb 0.65 0.60 -0.03 0.00 -1.74 0.00 0.00 39.64 39.13 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 -1.83 3.97 0.89 6.28 2.56 -1.20 -4.95 118.70 124.41 3h52 s GLU 540 Ca 0.34 2.25 -0.11 0.00 0.00 0.00 0.00 54.97 57.45 3h52 s GLU 540 Cb 0.19 -4.11 0.12 0.00 2.00 0.00 0.00 34.13 32.34 3h52 s GLU 540 CO 0.29 -1.12 1.10 -2.14 -0.56 0.00 0.00 175.26 172.83 3h52 s PRO 541 N 4.60 1.32 0.03 4.30 0.02 -1.26 -4.94 135.00 139.08 3h52 s PRO 541 Ca 0.82 1.11 -0.30 0.00 0.02 0.00 0.00 61.00 62.65 3h52 s PRO 541 Cb -0.35 -1.79 -0.07 0.00 0.02 0.00 0.00 34.50 32.30 3h52 s PRO 541 CO 0.35 -2.28 1.65 -1.21 -0.33 0.00 0.00 177.00 175.18 3h52 s GLU 542 N -4.81 4.20 0.02 5.54 0.41 -1.26 -4.92 118.70 117.87 3h52 s GLU 542 Ca 0.64 2.29 -0.31 0.00 -0.41 0.00 0.00 54.97 57.17 3h52 s GLU 542 Cb -0.19 -3.73 -0.16 0.00 -1.78 0.00 0.00 34.13 28.27 3h52 s GLU 542 CO 0.58 -0.76 0.81 0.28 -0.49 0.00 0.00 175.26 175.67 3h52 n VAL 543 N 4.96 0.19 -3.12 2.63 0.31 -1.26 -4.91 118.33 117.13 3h52 n VAL 543 Ca 0.16 -0.05 -0.39 0.00 -0.01 0.00 0.00 64.34 64.05 3h52 n VAL 543 Cb 0.41 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 33.29 3h52 n VAL 543 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3h52 s LEU 544 N 0.28 4.43 0.04 7.52 1.43 -1.26 -5.08 118.68 126.05 3h52 s LEU 544 Ca 0.71 1.28 -0.10 0.00 -1.03 0.00 0.00 54.13 54.99 3h52 s LEU 544 Cb -0.99 -3.05 -0.05 0.00 0.03 0.00 0.00 46.19 42.13 3h52 s LEU 544 CO 0.46 0.07 0.36 -0.31 0.23 0.00 0.00 176.35 177.16 3h52 s TYR 545 N -0.18 3.61 0.00 0.29 2.02 -1.26 -5.01 117.35 116.83 3h52 s TYR 545 Ca 0.34 0.77 0.21 0.00 -0.37 0.00 0.00 57.07 58.02 3h52 s TYR 545 Cb -0.19 -2.14 0.60 0.00 -0.40 0.00 0.00 41.96 39.83 3h52 s TYR 545 CO 0.20 0.58 1.69 0.00 -1.57 0.00 0.00 175.55 176.44 3h52 h ALA 546 N 4.04 0.91 -3.34 3.71 0.00 -2.06 -3.47 119.26 119.05 3h52 h ALA 546 Ca -0.50 -0.27 -0.15 0.00 0.00 0.00 0.00 54.91 53.98 3h52 h ALA 546 Cb 1.20 -0.05 0.07 0.00 0.00 0.00 0.00 17.79 19.01 3h52 h ALA 546 CO 0.65 0.38 -0.31 0.41 0.00 0.00 0.00 179.25 180.38 3h52 n GLY 547 N 0.55 0.19 3.42 0.00 0.00 -1.26 -5.02 105.19 103.07 3h52 n GLY 547 Ca 0.01 -0.25 -0.33 0.00 0.00 0.00 0.00 46.02 45.45 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 -3.15 2.72 -0.47 1.61 5.04 -1.26 -5.09 117.35 116.76 3h52 s TYR 548 Ca 0.11 -0.40 -0.02 0.00 -2.44 0.00 0.00 57.07 54.32 3h52 s TYR 548 Cb -0.05 -1.71 0.12 0.00 0.35 0.00 0.00 41.96 40.68 3h52 s TYR 548 CO 0.31 -0.00 0.26 0.34 -1.34 0.00 0.00 175.55 175.12 3h52 s ASP 549 N -0.26 5.20 0.56 4.32 -1.08 -1.26 -4.94 116.67 119.21 3h52 s ASP 549 Ca 0.01 -2.28 0.26 0.00 -0.52 0.00 0.00 52.55 50.02 3h52 s ASP 549 Cb -0.13 -1.82 1.50 0.00 -1.46 0.00 0.00 42.92 41.01 3h52 s ASP 549 CO 0.03 -0.48 2.04 -1.28 0.52 0.00 0.00 175.17 175.99 3h52 h SER 550 N 7.72 0.00 1.41 -0.34 0.87 -2.02 -2.87 113.55 118.32 3h52 h SER 550 Ca -0.10 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.41 3h52 h SER 550 Cb 1.02 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.97 3h52 h SER 550 CO 0.70 0.00 -0.24 0.77 -0.53 0.00 0.00 176.83 177.53 3h52 h SER 551 N 0.00 0.00 -3.36 6.23 4.64 -2.06 -3.43 113.55 115.57 3h52 h SER 551 Ca 0.16 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.91 3h52 h SER 551 Cb 0.74 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.76 3h52 h SER 551 CO -0.00 0.24 -0.02 -0.69 -0.87 0.00 0.00 176.83 175.49 3h52 s VAL 552 N -3.30 5.11 0.61 0.95 1.01 -1.09 -5.07 120.40 118.63 3h52 s VAL 552 Ca 0.03 1.16 -0.15 0.00 0.00 0.00 0.00 61.98 63.02 3h52 s VAL 552 Cb 0.08 -3.92 -0.03 0.00 0.00 0.00 0.00 36.38 32.52 3h52 s VAL 552 CO 0.67 0.27 1.07 -2.16 0.00 0.00 0.00 175.10 174.95 3h52 s PRO 553 N 0.89 3.17 0.28 2.72 0.04 -1.26 -4.85 135.00 136.00 3h52 s PRO 553 Ca 0.30 1.24 0.02 0.00 0.04 0.00 0.00 61.00 62.61 3h52 s PRO 553 Cb -0.16 -2.01 0.65 0.00 0.04 0.00 0.00 34.50 33.02 3h52 s PRO 553 CO 0.13 -0.93 1.73 -0.44 0.04 0.00 0.00 177.00 177.53 3h52 h ASP 554 N 0.29 0.46 0.28 6.66 3.32 -1.96 -2.11 116.42 123.36 3h52 h ASP 554 Ca -0.47 0.12 -0.01 0.00 0.02 0.00 0.00 57.03 56.69 3h52 h ASP 554 Cb 1.23 0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.84 3h52 h ASP 554 CO 0.57 0.11 -0.13 0.77 -1.72 0.00 0.00 179.24 178.84 3h52 h SER 555 N 0.52 -0.32 -0.81 6.45 4.64 -2.00 -1.69 113.55 120.35 3h52 h SER 555 Ca 0.52 -0.21 0.16 0.00 -0.47 0.00 0.00 61.79 61.79 3h52 h SER 555 Cb 0.88 0.08 -0.10 0.00 -0.31 0.00 0.00 62.40 62.95 3h52 h SER 555 CO -0.45 0.08 0.36 0.71 -0.87 0.00 0.00 176.83 176.66 3h52 h THR 556 N -0.77 0.65 -0.20 2.95 1.35 -1.89 -2.34 112.91 112.65 3h52 h THR 556 Ca -0.04 -0.17 -0.01 0.00 -0.55 0.00 0.00 66.41 65.64 3h52 h THR 556 Cb 0.50 0.11 -0.01 0.00 -1.73 0.00 0.00 68.15 67.03 3h52 h THR 556 CO 0.06 0.09 0.07 -0.25 -0.25 0.00 0.00 175.52 175.25 3h52 h TRP 557 N 0.49 0.31 0.31 4.73 2.91 -1.31 -2.34 115.95 121.03 3h52 h TRP 557 Ca 0.45 -0.03 -0.01 0.00 1.13 0.00 0.00 58.89 60.43 3h52 h TRP 557 Cb 0.71 -0.09 0.00 0.00 -0.51 0.00 0.00 29.16 29.27 3h52 h TRP 557 CO -0.14 0.36 -0.15 -0.09 -1.03 0.00 0.00 178.44 177.39 3h52 h ARG 558 N 0.16 -0.40 -0.14 2.65 2.43 -0.77 0.19 114.38 118.51 3h52 h ARG 558 Ca 0.07 0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.25 3h52 h ARG 558 Cb 0.19 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 3h52 h ARG 558 CO -0.00 -0.24 0.05 -0.84 -1.51 0.00 0.00 179.97 177.43 3h52 h ILE 559 N -0.44 1.16 -0.28 1.20 3.07 -1.55 -1.39 117.51 119.27 3h52 h ILE 559 Ca -0.04 -0.48 -0.05 0.00 1.55 0.00 0.00 64.86 65.84 3h52 h ILE 559 Cb 0.34 1.23 -0.02 0.00 -0.27 0.00 0.00 36.82 38.10 3h52 h ILE 559 CO 0.07 0.15 -0.04 -0.03 -1.05 0.00 0.00 178.15 177.24 3h52 h MET 560 N 0.06 0.44 -0.21 0.16 4.05 -1.36 -0.11 114.93 117.95 3h52 h MET 560 Ca 0.04 -0.10 -0.20 0.00 -0.28 0.00 0.00 59.70 59.17 3h52 h MET 560 Cb 0.18 -0.06 0.01 0.00 -0.80 0.00 0.00 31.60 30.93 3h52 h MET 560 CO -0.00 0.50 -0.63 1.15 0.23 0.00 0.00 176.91 178.15 3h52 h THR 561 N 0.42 1.29 -0.15 -0.77 2.02 -0.52 -2.23 112.91 112.97 3h52 h THR 561 Ca 0.09 -1.83 -0.04 0.00 0.77 0.00 0.00 66.41 65.39 3h52 h THR 561 Cb 0.34 1.85 -0.00 0.00 -1.74 0.00 0.00 68.15 68.60 3h52 h THR 561 CO 0.01 0.59 -0.07 0.74 0.37 0.00 0.00 175.52 177.16 3h52 h THR 562 N 0.54 1.32 -0.74 3.16 2.02 -0.73 0.70 112.91 119.19 3h52 h THR 562 Ca -0.02 -1.12 -0.05 0.00 0.77 0.00 0.00 66.41 65.99 3h52 h THR 562 Cb 1.26 1.75 -0.03 0.00 -1.74 0.00 0.00 68.15 69.38 3h52 h THR 562 CO 0.14 0.33 0.28 -0.07 0.37 0.00 0.00 175.52 176.56 3h52 h LEU 563 N -0.03 1.02 0.16 2.58 3.38 -1.15 -2.03 115.31 119.24 3h52 h LEU 563 Ca 0.03 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 3h52 h LEU 563 Cb 0.55 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.03 3h52 h LEU 563 CO 0.02 0.92 -0.08 0.78 0.09 0.00 0.00 178.44 180.17 3h52 h ASN 564 N 1.07 -0.18 -0.62 -0.43 4.21 -1.04 -0.48 115.58 118.11 3h52 h ASN 564 Ca 0.24 -0.06 0.12 0.00 1.21 0.00 0.00 56.30 57.82 3h52 h ASN 564 Cb 0.23 0.05 -0.12 0.00 -1.12 0.00 0.00 38.32 37.36 3h52 h ASN 564 CO -0.02 -0.05 -0.14 0.24 -1.29 0.00 0.00 177.43 176.17 3h52 h MET 565 N -0.30 0.01 0.08 0.81 2.86 0.53 -2.23 114.93 116.69 3h52 h MET 565 Ca -0.02 -0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.61 3h52 h MET 565 Cb 0.23 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.89 3h52 h MET 565 CO 0.04 0.00 -0.04 1.25 1.06 0.00 0.00 176.91 179.22 3h52 h LEU 566 N 0.01 -0.09 -0.66 1.22 5.85 -1.22 -1.41 115.31 119.01 3h52 h LEU 566 Ca 0.30 -0.31 0.12 0.00 0.84 0.00 0.00 57.88 58.82 3h52 h LEU 566 Cb 0.46 0.02 -0.08 0.00 0.37 0.00 0.00 40.66 41.43 3h52 h LEU 566 CO -0.63 0.27 0.23 1.23 -0.34 0.00 0.00 178.44 179.20 3h52 h GLY 567 N -0.47 0.93 0.95 3.75 0.00 -0.92 0.21 103.07 107.52 3h52 h GLY 567 Ca -0.01 -0.10 -0.17 0.00 0.00 0.00 0.00 47.33 47.05 3h52 h GLY 567 CO 0.02 -0.07 -0.59 -1.33 0.00 0.00 0.00 176.54 174.56 3h52 h GLY 568 N 0.38 0.65 1.08 4.60 0.00 -1.38 -0.53 103.07 107.87 3h52 h GLY 568 Ca 0.35 -0.93 0.05 0.00 0.00 0.00 0.00 47.33 46.80 3h52 h GLY 568 CO -0.37 0.83 0.49 3.21 0.00 0.00 0.00 176.54 180.70 3h52 h ARG 569 N 0.21 0.83 -0.31 4.80 3.08 -0.94 0.22 114.38 122.27 3h52 h ARG 569 Ca -0.05 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 59.91 3h52 h ARG 569 Cb 1.24 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 31.09 3h52 h ARG 569 CO 0.12 0.55 0.03 1.96 -1.07 0.00 0.00 179.97 181.56 3h52 h GLN 570 N 0.86 0.52 -0.79 0.04 4.20 -0.29 -1.71 115.11 117.93 3h52 h GLN 570 Ca 0.31 -0.15 -0.00 0.00 0.06 0.00 0.00 58.65 58.87 3h52 h GLN 570 Cb 0.15 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 27.83 3h52 h GLN 570 CO -0.10 0.63 0.49 0.28 -0.67 0.00 0.00 178.83 179.46 3h52 h VAL 571 N 0.33 1.22 -0.54 -0.54 2.07 -0.16 0.19 116.25 118.83 3h52 h VAL 571 Ca 0.09 -0.47 -0.08 0.00 0.82 0.00 0.00 66.70 67.07 3h52 h VAL 571 Cb 0.38 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.22 3h52 h VAL 571 CO 0.01 0.23 0.03 0.40 0.02 0.00 0.00 177.57 178.26 3h52 h ILE 572 N 1.09 1.25 -0.61 4.57 2.04 -0.59 -1.31 117.51 123.95 3h52 h ILE 572 Ca 0.29 -1.02 -0.01 0.00 1.00 0.00 0.00 64.86 65.12 3h52 h ILE 572 Cb -0.05 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 36.79 3h52 h ILE 572 CO -0.06 0.37 0.33 0.00 0.00 0.00 0.00 178.15 178.79 3h52 h ALA 573 N 1.19 0.78 -0.32 1.87 0.00 -0.62 -1.62 119.26 120.53 3h52 h ALA 573 Ca 0.16 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.98 3h52 h ALA 573 Cb 0.45 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3h52 h ALA 573 CO 0.02 0.30 0.19 0.00 0.00 0.00 0.00 179.25 179.76 3h52 h ALA 574 N 1.15 0.40 -0.13 0.00 0.00 -0.27 0.19 119.26 120.61 3h52 h ALA 574 Ca 0.21 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 3h52 h ALA 574 Cb 0.05 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 3h52 h ALA 574 CO -0.03 -0.17 0.02 0.28 0.00 0.00 0.00 179.25 179.35 3h52 h VAL 575 N 0.39 1.22 -0.44 0.00 2.07 -0.90 0.11 116.25 118.70 3h52 h VAL 575 Ca 0.13 -0.70 0.02 0.00 0.82 0.00 0.00 66.70 66.97 3h52 h VAL 575 Cb -0.00 1.44 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 3h52 h VAL 575 CO -0.06 0.21 0.30 0.50 0.02 0.00 0.00 177.57 178.53 3h52 h LYS 576 N -0.02 0.51 0.40 1.57 3.64 -1.17 -1.63 116.57 119.88 3h52 h LYS 576 Ca 0.04 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 3h52 h LYS 576 Cb 0.30 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 3h52 h LYS 576 CO 0.00 0.34 -0.19 2.35 -2.27 0.00 0.00 179.45 179.68 3h52 h TRP 577 N 0.53 -0.50 -0.78 1.91 7.01 0.45 -3.20 115.95 121.37 3h52 h TRP 577 Ca 0.17 -0.01 0.08 0.00 2.11 0.00 0.00 58.89 61.25 3h52 h TRP 577 Cb 0.05 0.16 -0.07 0.00 -2.10 0.00 0.00 29.16 27.21 3h52 h TRP 577 CO -0.00 -0.22 0.44 0.00 -2.79 0.00 0.00 178.44 175.87 3h52 h ALA 578 N -0.17 1.09 0.00 2.65 0.00 -0.41 -1.52 119.26 120.90 3h52 h ALA 578 Ca -0.05 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 3h52 h ALA 578 Cb 0.50 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 3h52 h ALA 578 CO 0.09 0.08 -0.01 0.87 0.00 0.00 0.00 179.25 180.28 3h52 h LYS 579 N 0.76 0.00 0.00 0.00 1.79 -1.34 -0.62 116.57 117.17 3h52 h LYS 579 Ca 0.37 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.84 3h52 h LYS 579 Cb 0.31 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.96 3h52 h LYS 579 CO -0.23 0.01 -0.44 0.00 -1.08 0.00 0.00 179.45 177.71 3h52 n ALA 580 N -2.34 2.98 -2.11 3.86 0.00 -0.58 -4.14 120.51 118.17 3h52 n ALA 580 Ca -0.03 -0.24 -0.42 0.00 0.00 0.00 0.00 53.44 52.76 3h52 n ALA 580 Cb 0.09 -1.22 -0.03 0.00 0.00 0.00 0.00 19.45 18.29 3h52 n ALA 580 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3h52 s ILE 581 N -3.09 3.54 0.07 0.00 1.01 -0.24 -4.87 121.20 117.63 3h52 s ILE 581 Ca 0.09 0.49 -0.37 0.00 0.00 0.00 0.00 60.65 60.87 3h52 s ILE 581 Cb 0.15 -3.90 -0.18 0.00 0.01 0.00 0.00 42.46 38.54 3h52 s ILE 581 CO 0.68 -0.68 1.13 -2.65 0.00 0.00 0.00 174.94 173.41 3h52 n PRO 582 N 8.61 0.57 0.00 2.79 -0.02 -1.26 -0.54 135.00 145.15 3h52 n PRO 582 Ca 0.20 0.21 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 3h52 n PRO 582 Cb 0.49 -1.71 0.00 0.00 -0.02 0.00 0.00 33.50 32.26 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 1.96 2.88 0.24 -1.23 0.00 -1.26 -4.90 105.19 102.87 3h52 n GLY 583 Ca 0.18 -0.73 -0.04 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.43 0.00 1.61 3.57 -1.10 0.37 116.94 120.96 3h52 h PHE 584 Ca 0.00 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.55 3h52 h PHE 584 Cb 0.00 0.26 0.00 0.00 2.79 0.00 0.00 35.95 39.00 3h52 h PHE 584 CO 0.00 -0.27 0.00 -2.13 -2.23 0.00 0.00 178.31 173.68 3h52 n ARG 585 N -5.39 0.02 -0.06 1.11 0.63 -1.26 -0.91 116.66 110.81 3h52 n ARG 585 Ca 0.04 0.42 0.12 0.00 -0.92 0.00 0.00 57.85 57.51 3h52 n ARG 585 Cb 0.30 -1.55 0.17 0.00 0.45 0.00 0.00 32.46 31.83 3h52 n ARG 585 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 3h52 n ASN 586 N -1.58 2.99 -4.80 6.15 4.13 0.11 -4.94 115.26 117.32 3h52 n ASN 586 Ca 0.01 -1.96 -0.33 0.00 1.68 0.00 0.00 54.58 53.99 3h52 n ASN 586 Cb 0.07 -0.08 -0.01 0.00 -1.54 0.00 0.00 39.78 38.23 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 -1.84 3.62 0.09 3.41 1.43 -0.08 -4.97 118.68 120.33 3h52 s LEU 587 Ca 0.32 1.84 -0.33 0.00 -1.03 0.00 0.00 54.13 54.93 3h52 s LEU 587 Cb 0.21 -4.54 -0.18 0.00 0.03 0.00 0.00 46.19 41.71 3h52 s LEU 587 CO 0.31 -1.01 0.78 1.57 0.23 0.00 0.00 176.35 178.22 3h52 n HIS 588 N -1.66 0.12 -0.08 0.29 -0.00 -1.26 -4.65 115.22 107.98 3h52 n HIS 588 Ca 0.09 0.96 0.08 0.00 -0.00 0.00 0.00 57.72 58.85 3h52 n HIS 588 Cb 0.53 -1.92 0.45 0.00 -0.00 0.00 0.00 29.99 29.04 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 1.98 0.46 -0.89 0.27 3.38 -1.94 0.11 115.31 118.69 3h52 h LEU 589 Ca -0.38 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.52 3h52 h LEU 589 Cb 1.36 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 42.00 3h52 h LEU 589 CO 0.58 0.30 -0.34 0.44 0.09 0.00 0.00 178.44 179.51 3h52 h ASP 590 N 0.53 0.00 -0.13 -0.43 3.32 -1.99 -2.25 116.42 115.47 3h52 h ASP 590 Ca 0.24 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.20 3h52 h ASP 590 Cb 0.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.84 3h52 h ASP 590 CO -0.07 0.34 -0.30 0.44 -1.72 0.00 0.00 179.24 177.93 3h52 h ASP 591 N 0.00 0.49 -1.00 6.45 3.32 -1.17 -1.43 116.42 123.08 3h52 h ASP 591 Ca -0.00 -0.57 0.12 0.00 0.02 0.00 0.00 57.03 56.59 3h52 h ASP 591 Cb 0.90 -0.14 -0.09 0.00 0.22 0.00 0.00 39.33 40.23 3h52 h ASP 591 CO 0.04 0.97 0.63 1.56 -1.72 0.00 0.00 179.24 180.73 3h52 h GLN 592 N 0.03 0.96 -0.15 3.56 4.20 -1.06 0.26 115.11 122.90 3h52 h GLN 592 Ca -0.00 -0.06 -0.06 0.00 0.06 0.00 0.00 58.65 58.60 3h52 h GLN 592 Cb 0.91 -0.22 -0.00 0.00 0.30 0.00 0.00 27.48 28.47 3h52 h GLN 592 CO 0.07 0.63 -0.12 1.98 -0.67 0.00 0.00 178.83 180.72 3h52 h MET 593 N 0.98 0.35 -0.52 1.46 4.05 -1.38 -2.82 114.93 117.05 3h52 h MET 593 Ca 0.50 -0.17 -0.07 0.00 -0.28 0.00 0.00 59.70 59.68 3h52 h MET 593 Cb 0.50 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.28 3h52 h MET 593 CO -0.27 0.71 0.06 1.15 0.23 0.00 0.00 176.91 178.79 3h52 h THR 594 N -0.00 1.26 0.16 -0.77 2.02 -0.45 -0.37 112.91 114.76 3h52 h THR 594 Ca 0.03 -1.00 -0.01 0.00 0.77 0.00 0.00 66.41 66.20 3h52 h THR 594 Cb 0.63 0.88 0.00 0.00 -1.74 0.00 0.00 68.15 67.92 3h52 h THR 594 CO 0.03 0.36 -0.08 -0.07 0.37 0.00 0.00 175.52 176.13 3h52 h LEU 595 N 0.76 -0.18 -1.69 2.58 4.07 -0.62 0.23 115.31 120.47 3h52 h LEU 595 Ca 0.16 -0.05 0.15 0.00 0.08 0.00 0.00 57.88 58.21 3h52 h LEU 595 Cb 0.44 0.05 -0.04 0.00 1.08 0.00 0.00 40.66 42.19 3h52 h LEU 595 CO 0.02 -0.07 0.47 -0.07 -1.08 0.00 0.00 178.44 177.71 3h52 h LEU 596 N -0.29 0.29 0.37 1.67 3.38 -1.32 -2.60 115.31 116.81 3h52 h LEU 596 Ca -0.02 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3h52 h LEU 596 Cb 0.22 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.93 3h52 h LEU 596 CO 0.04 0.15 -0.18 1.56 0.09 0.00 0.00 178.44 180.10 3h52 h GLN 597 N 0.31 -0.47 0.00 1.13 4.20 -0.41 -2.46 115.11 117.40 3h52 h GLN 597 Ca 0.34 0.03 0.00 0.00 0.06 0.00 0.00 58.65 59.08 3h52 h GLN 597 Cb 0.89 0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.78 3h52 h GLN 597 CO -0.09 -0.24 0.00 0.66 -0.67 0.00 0.00 178.83 178.49 3h52 n TYR 598 N -5.11 0.40 -0.21 2.96 4.01 0.01 -3.42 117.16 115.81 3h52 n TYR 598 Ca -0.07 0.20 0.00 0.00 -0.16 0.00 0.00 57.90 57.87 3h52 n TYR 598 Cb 0.23 -0.82 0.00 0.00 -0.31 0.00 0.00 39.34 38.44 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 -1.90 0.25 -0.32 7.72 3.41 -1.00 -4.84 113.62 116.94 3h52 n SER 599 Ca -0.00 -0.60 0.11 0.00 -0.26 0.00 0.00 58.87 58.11 3h52 n SER 599 Cb 0.04 0.29 0.28 0.00 -0.26 0.00 0.00 64.21 64.56 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 0.89 -0.29 7.33 5.08 -1.46 -1.35 115.95 126.15 3h52 h TRP 600 Ca 0.00 0.04 -0.17 0.00 1.08 0.00 0.00 58.89 59.83 3h52 h TRP 600 Cb 0.10 -0.25 -0.00 0.00 -3.00 0.00 0.00 29.16 26.01 3h52 h TRP 600 CO 0.00 0.17 -0.51 1.98 -1.28 0.00 0.00 178.44 178.81 3h52 h MET 601 N 0.65 0.83 -0.96 0.12 4.05 -1.88 -1.92 114.93 115.83 3h52 h MET 601 Ca 0.53 -0.50 0.02 0.00 -0.28 0.00 0.00 59.70 59.47 3h52 h MET 601 Cb 0.82 0.05 -0.05 0.00 -0.80 0.00 0.00 31.60 31.62 3h52 h MET 601 CO -0.40 1.13 0.63 1.03 0.23 0.00 0.00 176.91 179.54 3h52 h SER 602 N 0.65 1.08 -0.48 1.39 0.87 -1.62 0.29 113.55 115.73 3h52 h SER 602 Ca 0.03 -0.02 -0.08 0.00 -1.23 0.00 0.00 61.79 60.48 3h52 h SER 602 Cb 1.10 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 62.77 3h52 h SER 602 CO 0.11 0.77 -0.02 -0.07 -0.53 0.00 0.00 176.83 177.09 3h52 h LEU 603 N 1.27 0.86 0.16 2.23 3.38 -1.13 -1.81 115.31 120.27 3h52 h LEU 603 Ca 0.36 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 3h52 h LEU 603 Cb -0.11 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.41 3h52 h LEU 603 CO -0.09 0.97 -0.08 -0.03 0.09 0.00 0.00 178.44 179.31 3h52 h MET 604 N 0.73 -0.21 -0.93 1.13 4.05 -0.89 -1.47 114.93 117.34 3h52 h MET 604 Ca 0.13 0.01 0.07 0.00 -0.28 0.00 0.00 59.70 59.63 3h52 h MET 604 Cb 0.55 0.05 -0.06 0.00 -0.80 0.00 0.00 31.60 31.33 3h52 h MET 604 CO 0.03 0.20 0.60 0.00 0.23 0.00 0.00 176.91 177.97 3h52 h ALA 605 N 0.00 1.49 -0.10 0.39 0.00 -0.49 0.53 119.26 121.08 3h52 h ALA 605 Ca -0.02 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 3h52 h ALA 605 Cb 0.50 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3h52 h ALA 605 CO 0.04 0.36 -0.18 0.35 0.00 0.00 0.00 179.25 179.82 3h52 h PHE 606 N 1.05 0.38 -0.89 0.00 3.57 -1.33 0.16 116.94 119.89 3h52 h PHE 606 Ca 0.40 -0.13 0.06 0.00 3.53 0.00 0.00 57.97 61.83 3h52 h PHE 606 Cb 0.20 -0.07 -0.06 0.00 2.79 0.00 0.00 35.95 38.81 3h52 h PHE 606 CO -0.00 0.79 0.55 0.00 -2.23 0.00 0.00 178.31 177.42 3h52 h ALA 607 N 0.53 1.22 -0.43 2.41 0.00 -0.76 0.10 119.26 122.33 3h52 h ALA 607 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3h52 h ALA 607 Cb 0.76 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 3h52 h ALA 607 CO 0.04 0.30 0.28 1.25 0.00 0.00 0.00 179.25 181.12 3h52 h LEU 608 N 1.01 0.51 -0.06 0.00 5.85 0.18 -0.98 115.31 121.81 3h52 h LEU 608 Ca 0.39 -0.03 0.02 0.00 0.84 0.00 0.00 57.88 59.10 3h52 h LEU 608 Cb 0.18 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 3h52 h LEU 608 CO -0.18 0.38 -0.06 1.23 -0.34 0.00 0.00 178.44 179.48 3h52 h GLY 609 N 0.58 -0.01 0.95 3.75 0.00 0.16 -1.93 103.07 106.57 3h52 h GLY 609 Ca 0.16 0.07 -0.01 0.00 0.00 0.00 0.00 47.33 47.55 3h52 h GLY 609 CO -0.03 -0.07 -0.08 -0.25 0.00 0.00 0.00 176.54 176.11 3h52 h TRP 610 N -0.08 -0.21 -0.60 5.60 2.91 -0.72 -2.39 115.95 120.46 3h52 h TRP 610 Ca 0.05 -0.00 0.10 0.00 1.13 0.00 0.00 58.89 60.16 3h52 h TRP 610 Cb 0.14 0.07 -0.08 0.00 -0.51 0.00 0.00 29.16 28.79 3h52 h TRP 610 CO -0.16 -0.09 0.20 0.00 -1.03 0.00 0.00 178.44 177.36 3h52 h ARG 611 N -0.28 0.35 -0.62 2.65 3.08 -1.05 -1.57 114.38 116.94 3h52 h ARG 611 Ca -0.02 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 3h52 h ARG 611 Cb 0.22 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.16 3h52 h ARG 611 CO 0.04 0.23 0.28 0.77 -1.07 0.00 0.00 179.97 180.22 3h52 h SER 612 N 0.36 0.79 -0.02 7.04 0.02 -1.18 0.31 113.55 120.86 3h52 h SER 612 Ca 0.31 -0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 61.17 3h52 h SER 612 Cb 0.41 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 62.74 3h52 h SER 612 CO -0.33 0.68 0.01 0.22 -1.14 0.00 0.00 176.83 176.27 3h52 h TYR 613 N 0.87 0.03 -0.14 3.45 3.20 -0.79 -0.05 116.97 123.54 3h52 h TYR 613 Ca 0.21 -0.00 -0.21 0.00 3.14 0.00 0.00 58.73 61.88 3h52 h TYR 613 Cb 0.11 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.37 3h52 h TYR 613 CO 0.01 0.08 -0.74 0.00 -1.64 0.00 0.00 178.16 175.87 3h52 h ARG 614 N -0.03 0.66 0.16 1.82 2.47 -0.83 -1.90 114.38 116.73 3h52 h ARG 614 Ca 0.01 -0.53 -0.01 0.00 -1.26 0.00 0.00 59.98 58.19 3h52 h ARG 614 Cb 0.06 0.11 0.00 0.00 -1.65 0.00 0.00 29.97 28.49 3h52 h ARG 614 CO -0.00 1.15 -0.07 1.96 0.56 0.00 0.00 179.97 183.56 3h52 h GLN 615 N 0.46 -0.20 0.00 0.04 7.50 -0.45 -3.40 115.11 119.06 3h52 h GLN 615 Ca -0.04 0.01 -0.06 0.00 0.50 0.00 0.00 58.65 59.07 3h52 h GLN 615 Cb 1.35 0.05 -0.13 0.00 0.05 0.00 0.00 27.48 28.79 3h52 h GLN 615 CO 0.14 0.23 -0.59 -1.13 -1.50 0.00 0.00 178.83 175.99 3h52 n SER 616 N -4.94 1.24 -2.71 1.46 3.41 -0.80 -4.98 113.62 106.30 3h52 n SER 616 Ca -0.08 -2.74 -0.21 0.00 -0.26 0.00 0.00 58.87 55.58 3h52 n SER 616 Cb 0.27 -0.37 0.01 0.00 -0.26 0.00 0.00 64.21 63.86 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 -0.41 -5.64 0.00 4.04 2.88 -0.71 -3.04 113.62 110.73 3h52 n SER 617 Ca 0.10 -0.12 0.00 0.00 -1.33 0.00 0.00 58.87 57.52 3h52 n SER 617 Cb 0.83 -4.64 0.00 0.00 -0.75 0.00 0.00 64.21 59.65 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 -2.74 0.00 1.43 -1.46 0.00 -0.10 -4.89 120.51 112.76 3h52 n ALA 618 Ca -0.17 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.41 3h52 n ALA 618 Cb 0.64 0.00 0.47 0.00 0.00 0.00 0.00 19.45 20.57 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 0.00 1.68 -4.07 0.00 0.23 -1.17 -4.53 115.26 107.39 3h52 n ASN 619 Ca 0.00 -1.56 -0.08 0.00 -0.53 0.00 0.00 54.58 52.41 3h52 n ASN 619 Cb 0.00 -0.00 -0.10 0.00 -2.08 0.00 0.00 39.78 37.59 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 -1.99 2.43 -0.46 -4.53 1.43 -1.26 -4.91 118.68 109.38 3h52 s LEU 620 Ca 0.37 -0.87 -0.23 0.00 -1.03 0.00 0.00 54.13 52.37 3h52 s LEU 620 Cb 0.21 0.14 0.03 0.00 0.03 0.00 0.00 46.19 46.59 3h52 s LEU 620 CO 0.33 -0.50 0.79 -0.76 0.23 0.00 0.00 176.35 176.43 3h52 s LEU 621 N -2.56 4.29 -0.97 1.79 1.43 -1.20 -4.72 118.68 116.74 3h52 s LEU 621 Ca 0.02 -0.20 -0.16 0.00 -1.03 0.00 0.00 54.13 52.76 3h52 s LEU 621 Cb 0.03 -2.91 0.16 0.00 0.03 0.00 0.00 46.19 43.51 3h52 s LEU 621 CO -0.07 -0.94 1.12 0.00 0.23 0.00 0.00 176.35 176.68 3h52 h PHE 623 N 8.19 -0.09 -2.47 0.00 -1.00 -1.72 -3.42 116.94 116.43 3h52 h PHE 623 Ca 0.18 -0.00 -0.54 0.00 2.81 0.00 0.00 57.97 60.42 3h52 h PHE 623 Cb 0.99 0.03 -0.13 0.00 3.61 0.00 0.00 35.95 40.45 3h52 h PHE 623 CO 1.11 0.10 -0.55 0.00 -1.61 0.00 0.00 178.31 177.35 3h52 s ALA 624 N -5.50 2.84 0.21 2.45 0.00 -0.93 -4.99 121.76 115.84 3h52 s ALA 624 Ca -0.14 -1.45 0.35 0.00 0.00 0.00 0.00 51.96 50.72 3h52 s ALA 624 Cb 0.04 0.64 1.54 0.00 0.00 0.00 0.00 23.12 25.35 3h52 s ALA 624 CO 0.65 -0.29 2.05 -1.35 0.00 0.00 0.00 175.76 176.82 3h52 h PRO 625 N 1.86 0.00 -0.23 0.00 0.11 -2.00 -3.05 132.00 128.69 3h52 h PRO 625 Ca -0.38 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.66 3h52 h PRO 625 Cb 1.27 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.33 3h52 h PRO 625 CO 0.63 0.01 -0.07 -0.40 -0.21 0.00 0.00 178.00 177.97 3h52 n ASP 626 N -3.11 2.89 -3.37 -2.05 5.75 -1.26 -4.84 116.55 110.56 3h52 n ASP 626 Ca -0.00 -3.40 -0.14 0.00 -0.01 0.00 0.00 54.79 51.24 3h52 n ASP 626 Cb 0.27 -0.56 -0.09 0.00 -1.03 0.00 0.00 41.12 39.71 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 -3.04 -0.42 0.10 -2.12 2.96 -1.15 -5.12 118.68 109.88 3h52 s LEU 627 Ca 0.41 -0.52 0.10 0.00 -0.22 0.00 0.00 54.13 53.90 3h52 s LEU 627 Cb 0.36 0.73 -0.04 0.00 0.50 0.00 0.00 46.19 47.74 3h52 s LEU 627 CO 0.03 -0.37 -0.24 -0.63 -1.32 0.00 0.00 176.35 173.82 3h52 s ILE 628 N 2.43 2.42 -0.34 6.68 1.01 -1.26 -1.79 121.20 130.35 3h52 s ILE 628 Ca 0.10 -1.55 -0.06 0.00 0.00 0.00 0.00 60.65 59.14 3h52 s ILE 628 Cb -0.14 -2.05 0.04 0.00 0.01 0.00 0.00 42.46 40.33 3h52 s ILE 628 CO -0.29 0.19 0.09 -0.63 0.00 0.00 0.00 174.94 174.30 3h52 s ILE 629 N -1.00 3.65 0.00 2.92 1.01 -0.62 -4.99 121.20 122.17 3h52 s ILE 629 Ca 0.14 -1.20 0.00 0.00 0.00 0.00 0.00 60.65 59.59 3h52 s ILE 629 Cb -0.10 -3.09 0.00 0.00 0.01 0.00 0.00 42.46 39.28 3h52 s ILE 629 CO 0.06 -0.19 0.00 -0.46 0.00 0.00 0.00 174.94 174.35 3h52 n ASN 630 N 4.78 0.00 -0.29 3.58 6.94 -1.26 -3.23 115.26 125.78 3h52 n ASN 630 Ca -0.12 -0.28 -0.04 0.00 -0.02 0.00 0.00 54.58 54.12 3h52 n ASN 630 Cb 0.44 0.00 0.12 0.00 -2.36 0.00 0.00 39.78 37.98 3h52 n ASN 630 CO 0.00 0.00 0.00 1.05 -1.03 0.00 0.00 177.26 177.28 3h52 h GLU 631 N 0.00 1.16 -0.17 -3.83 -0.00 -1.96 -1.75 114.58 108.03 3h52 h GLU 631 Ca 0.00 -0.16 -0.09 0.00 -0.00 0.00 0.00 59.36 59.12 3h52 h GLU 631 Cb 0.00 -0.22 -0.00 0.00 -0.00 0.00 0.00 28.75 28.53 3h52 h GLU 631 CO 0.00 0.88 -0.23 -0.56 -0.00 0.00 0.00 179.01 179.10 3h52 h GLN 632 N 1.16 0.45 -0.29 1.06 -0.00 -1.94 -2.08 115.11 113.46 3h52 h GLN 632 Ca 0.28 -0.26 -0.12 0.00 -0.00 0.00 0.00 58.65 58.56 3h52 h GLN 632 Cb 0.09 0.02 -0.01 0.00 -0.00 0.00 0.00 27.48 27.58 3h52 h GLN 632 CO -0.04 0.85 -0.30 0.00 -0.00 0.00 0.00 178.83 179.34 3h52 h ARG 633 N 0.09 0.61 -0.00 0.06 2.47 -1.90 -2.68 114.38 113.02 3h52 h ARG 633 Ca 0.02 -0.26 0.00 0.00 -1.26 0.00 0.00 59.98 58.48 3h52 h ARG 633 Cb 0.80 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 29.10 3h52 h ARG 633 CO 0.05 0.84 -0.03 -1.33 0.56 0.00 0.00 179.97 180.06 3h52 n MET 634 N -4.08 0.45 -2.38 0.04 2.81 -0.66 -3.66 117.12 109.65 3h52 n MET 634 Ca -0.01 -0.05 -0.27 0.00 -1.81 0.00 0.00 57.70 55.56 3h52 n MET 634 Cb 0.45 -1.50 0.01 0.00 -0.71 0.00 0.00 33.22 31.47 3h52 n MET 634 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 3h52 n THR 635 N -1.23 2.47 -4.33 2.03 -2.24 -0.78 -4.86 114.28 105.34 3h52 n THR 635 Ca 0.14 -4.79 -0.24 0.00 -2.27 0.00 0.00 64.05 56.89 3h52 n THR 635 Cb 0.25 -1.25 -0.08 0.00 -2.10 0.00 0.00 70.33 67.15 3h52 n THR 635 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3h52 s LEU 636 N -3.58 3.02 0.00 3.22 1.02 -1.21 -4.92 118.68 116.24 3h52 s LEU 636 Ca 0.49 -0.71 0.00 0.00 0.02 0.00 0.00 54.13 53.93 3h52 s LEU 636 Cb 0.40 -1.58 0.00 0.00 0.02 0.00 0.00 46.19 45.03 3h52 s LEU 636 CO -0.17 0.03 1.04 -2.65 0.02 0.00 0.00 176.35 174.62 3h52 n PRO 637 N -0.63 0.91 -3.58 1.29 -0.02 -1.26 -4.49 135.00 127.22 3h52 n PRO 637 Ca -0.07 0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.27 3h52 n PRO 637 Cb 0.58 -1.05 -0.06 0.00 -0.02 0.00 0.00 33.50 32.95 3h52 n PRO 637 CO 0.00 0.00 0.00 0.16 1.98 0.00 0.00 175.50 177.64 3h52 s ASP 638 N 1.14 -0.59 0.00 2.55 3.84 -1.26 -4.97 116.67 117.38 3h52 s ASP 638 Ca 0.00 0.84 0.00 0.00 -0.00 0.00 0.00 52.55 53.39 3h52 s ASP 638 Cb 0.00 0.75 0.00 0.00 -1.38 0.00 0.00 42.92 42.29 3h52 s ASP 638 CO 0.00 -0.40 0.00 0.23 -0.00 0.00 0.00 175.17 175.00 3h52 n MET 639 N 1.47 0.00 0.18 2.11 2.81 -1.26 -4.71 117.12 117.72 3h52 n MET 639 Ca -0.15 0.00 0.12 0.00 -1.81 0.00 0.00 57.70 55.86 3h52 n MET 639 Cb 0.57 -4.25 0.16 0.00 -0.71 0.00 0.00 33.22 28.99 3h52 n MET 639 CO 0.00 0.00 0.00 0.10 1.51 0.00 0.00 175.97 177.58 3h52 h TYR 640 N 0.00 0.00 -0.14 2.03 -0.00 -1.86 -2.60 116.97 114.39 3h52 h TYR 640 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 58.73 58.70 3h52 h TYR 640 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 36.72 3h52 h TYR 640 CO 0.00 0.00 -0.07 -0.44 -0.00 0.00 0.00 178.16 177.65 3h52 h ASP 641 N 0.00 0.20 0.06 0.10 3.32 -1.90 -1.02 116.42 117.17 3h52 h ASP 641 Ca 0.00 -0.03 -0.25 0.00 0.02 0.00 0.00 57.03 56.77 3h52 h ASP 641 Cb 0.96 -0.05 0.01 0.00 0.22 0.00 0.00 39.33 40.47 3h52 h ASP 641 CO 0.00 0.30 -0.97 1.56 -1.72 0.00 0.00 179.24 178.41 3h52 h GLN 642 N 0.21 0.65 -0.39 3.56 1.08 -1.85 -3.28 115.11 115.10 3h52 h GLN 642 Ca 0.05 -0.66 -0.06 0.00 -1.45 0.00 0.00 58.65 56.52 3h52 h GLN 642 Cb 0.26 0.18 -0.02 0.00 -0.05 0.00 0.00 27.48 27.85 3h52 h GLN 642 CO 0.01 1.26 -0.03 0.00 -0.95 0.00 0.00 178.83 179.12 3h52 h LYS 644 N 0.59 -0.36 -0.88 0.00 3.64 -1.29 0.15 116.57 118.42 3h52 h LYS 644 Ca 0.12 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 3h52 h LYS 644 Cb 0.42 0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.28 3h52 h LYS 644 CO 0.02 -0.24 0.55 0.45 -2.27 0.00 0.00 179.45 177.96 3h52 h HIS 645 N -0.38 1.13 -0.24 1.91 3.86 -1.51 -2.34 115.15 117.58 3h52 h HIS 645 Ca 0.05 0.01 -0.04 0.00 -1.16 0.00 0.00 60.37 59.23 3h52 h HIS 645 Cb 0.44 -0.38 -0.01 0.00 1.06 0.00 0.00 27.41 28.52 3h52 h HIS 645 CO -0.25 0.73 -0.00 0.52 0.86 0.00 0.00 177.93 179.79 3h52 h MET 646 N 1.20 0.43 0.00 2.45 2.86 -0.64 -2.95 114.93 118.28 3h52 h MET 646 Ca 0.32 -0.14 -0.02 0.00 -2.06 0.00 0.00 59.70 57.80 3h52 h MET 646 Cb -0.09 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 31.53 3h52 h MET 646 CO -0.06 0.61 -0.10 -0.07 1.06 0.00 0.00 176.91 178.35 3h52 h LEU 647 N 0.20 0.00 -0.38 1.22 3.38 -0.56 -2.80 115.31 116.37 3h52 h LEU 647 Ca 0.07 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.05 3h52 h LEU 647 Cb 0.42 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 3h52 h LEU 647 CO 0.01 0.10 0.23 0.22 0.09 0.00 0.00 178.44 179.09 3h52 h TYR 648 N 0.00 0.44 -0.36 1.13 5.03 -1.24 -0.82 116.97 121.15 3h52 h TYR 648 Ca -0.00 0.01 0.07 0.00 2.58 0.00 0.00 58.73 61.39 3h52 h TYR 648 Cb 0.28 -0.14 -0.07 0.00 1.55 0.00 0.00 36.73 38.36 3h52 h TYR 648 CO 0.00 0.26 -0.09 0.28 -1.32 0.00 0.00 178.16 177.29 3h52 h VAL 649 N 0.47 0.65 -0.34 1.81 2.07 -1.57 -0.82 116.25 118.52 3h52 h VAL 649 Ca 0.15 -0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.63 3h52 h VAL 649 Cb -0.01 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 3h52 h VAL 649 CO -0.06 0.00 0.06 -1.28 0.02 0.00 0.00 177.57 176.31 3h52 h SER 650 N 0.00 0.54 -0.43 0.57 0.87 -1.54 -1.38 113.55 112.17 3h52 h SER 650 Ca 0.17 -0.25 -0.02 0.00 -1.23 0.00 0.00 61.79 60.46 3h52 h SER 650 Cb 0.26 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.05 3h52 h SER 650 CO -0.37 0.65 0.21 0.77 -0.53 0.00 0.00 176.83 177.56 3h52 h SER 651 N 0.40 0.61 1.73 6.23 4.64 -0.86 -0.25 113.55 126.05 3h52 h SER 651 Ca 0.10 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3h52 h SER 651 Cb 0.34 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 3h52 h SER 651 CO 0.01 0.54 0.00 -0.08 -0.87 0.00 0.00 176.83 176.43 3h52 h GLU 652 N 0.67 0.00 0.04 4.77 4.57 -0.77 0.40 114.58 124.26 3h52 h GLU 652 Ca 0.17 0.00 -0.12 0.00 -1.18 0.00 0.00 59.36 58.23 3h52 h GLU 652 Cb 0.11 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.71 3h52 h GLU 652 CO -0.02 0.00 -0.50 -0.07 -1.18 0.00 0.00 179.01 177.24 3h52 h LEU 653 N 0.00 0.37 -0.95 1.64 3.38 -0.64 -2.95 115.31 116.16 3h52 h LEU 653 Ca 0.00 -0.85 0.07 0.00 0.09 0.00 0.00 57.88 57.20 3h52 h LEU 653 Cb 0.87 -0.12 -0.07 0.00 0.09 0.00 0.00 40.66 41.43 3h52 h LEU 653 CO 0.00 1.17 0.60 -0.74 0.09 0.00 0.00 178.44 179.57 3h52 h HIS 654 N -0.39 1.11 -0.15 1.13 2.76 -0.85 -1.39 115.15 117.38 3h52 h HIS 654 Ca -0.07 0.03 -0.15 0.00 -2.20 0.00 0.00 60.37 57.97 3h52 h HIS 654 Cb 1.29 -0.36 -0.01 0.00 1.55 0.00 0.00 27.41 29.88 3h52 h HIS 654 CO 0.18 0.55 -0.55 -0.09 -1.30 0.00 0.00 177.93 176.73 3h52 h ARG 655 N 1.08 0.45 -0.09 5.26 2.43 -0.29 -2.87 114.38 120.35 3h52 h ARG 655 Ca 0.42 -0.28 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 3h52 h ARG 655 Cb 0.21 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 3h52 h ARG 655 CO -0.19 0.88 0.00 1.28 -1.51 0.00 0.00 179.97 180.44 3h52 n LEU 656 N -3.94 2.19 -4.09 3.80 4.77 -1.11 -4.95 117.00 113.66 3h52 n LEU 656 Ca -0.03 -0.79 -0.32 0.00 -0.03 0.00 0.00 56.01 54.84 3h52 n LEU 656 Cb 0.60 -0.05 -0.02 0.00 -2.33 0.00 0.00 43.42 41.62 3h52 n LEU 656 CO 0.46 0.40 -0.08 0.00 -1.33 0.00 0.00 177.39 176.83 3h52 n GLN 657 N 0.69 -3.52 -1.72 3.23 1.13 -0.58 -4.83 117.38 111.79 3h52 n GLN 657 Ca 0.17 0.41 -0.43 0.00 -1.94 0.00 0.00 57.00 55.22 3h52 n GLN 657 Cb 0.45 -4.95 -0.01 0.00 0.11 0.00 0.00 30.24 25.84 3h52 n GLN 657 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 3h52 n VAL 658 N -4.43 1.40 -2.45 5.09 0.31 -0.88 -4.98 118.33 112.39 3h52 n VAL 658 Ca -0.06 -0.35 -0.27 0.00 -0.01 0.00 0.00 64.34 63.65 3h52 n VAL 658 Cb 0.56 -1.72 0.02 0.00 -0.91 0.00 0.00 33.84 31.80 3h52 n VAL 658 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3h52 s SER 659 N 0.13 5.74 0.17 4.52 1.04 -1.26 -4.89 113.70 119.15 3h52 s SER 659 Ca 0.61 0.75 -0.14 0.00 0.48 0.00 0.00 55.95 57.65 3h52 s SER 659 Cb -0.56 -1.81 0.07 0.00 0.10 0.00 0.00 66.02 63.81 3h52 s SER 659 CO 0.55 -0.96 1.82 0.22 0.98 0.00 0.00 173.24 175.85 3h52 h TYR 660 N -0.08 0.59 -0.54 5.02 3.20 -1.98 0.19 116.97 123.38 3h52 h TYR 660 Ca -0.46 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.37 3h52 h TYR 660 Cb 1.24 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 39.30 3h52 h TYR 660 CO 0.50 0.36 0.11 0.93 -1.64 0.00 0.00 178.16 178.41 3h52 h GLU 661 N 0.64 0.87 0.30 1.82 5.08 -1.97 0.41 114.58 121.73 3h52 h GLU 661 Ca 0.19 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3h52 h GLU 661 Cb -0.04 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.07 3h52 h GLU 661 CO -0.06 0.84 -0.38 0.93 -1.00 0.00 0.00 179.01 179.34 3h52 h GLU 662 N 0.76 -0.70 -0.36 2.33 5.08 -1.84 0.02 114.58 119.87 3h52 h GLU 662 Ca 0.17 0.05 0.08 0.00 -1.00 0.00 0.00 59.36 58.65 3h52 h GLU 662 Cb 0.38 0.16 -0.08 0.00 0.50 0.00 0.00 28.75 29.70 3h52 h GLU 662 CO 0.01 -0.47 -0.23 -0.92 -1.00 0.00 0.00 179.01 176.40 3h52 h TYR 663 N -0.73 -0.59 -0.16 4.33 3.20 0.08 0.75 116.97 123.86 3h52 h TYR 663 Ca -0.01 0.05 0.05 0.00 3.14 0.00 0.00 58.73 61.95 3h52 h TYR 663 Cb 0.68 0.31 -0.06 0.00 1.54 0.00 0.00 36.73 39.21 3h52 h TYR 663 CO -0.25 -0.30 -0.22 -0.07 -1.64 0.00 0.00 178.16 175.68 3h52 h LEU 664 N -0.17 -0.68 -0.06 2.82 3.38 -0.10 0.30 115.31 120.79 3h52 h LEU 664 Ca 0.18 0.12 0.02 0.00 0.09 0.00 0.00 57.88 58.28 3h52 h LEU 664 Cb 0.45 0.31 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 3h52 h LEU 664 CO -0.47 -0.27 -0.04 0.00 0.09 0.00 0.00 178.44 177.76 3h52 h MET 666 N -0.04 0.44 -0.97 0.00 2.86 0.11 -1.46 114.93 115.86 3h52 h MET 666 Ca 0.04 -0.03 0.01 0.00 -2.06 0.00 0.00 59.70 57.66 3h52 h MET 666 Cb 0.10 -0.10 -0.05 0.00 0.06 0.00 0.00 31.60 31.61 3h52 h MET 666 CO -0.09 0.29 0.64 -0.22 1.06 0.00 0.00 176.91 178.59 3h52 h LYS 667 N 0.45 1.29 -0.75 1.72 3.64 -0.29 -1.15 116.57 121.47 3h52 h LYS 667 Ca 0.21 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 3h52 h LYS 667 Cb 0.14 -0.29 -0.04 0.00 -0.41 0.00 0.00 32.23 31.64 3h52 h LYS 667 CO -0.16 0.86 0.47 1.15 -2.27 0.00 0.00 179.45 179.50 3h52 h THR 668 N 1.32 1.20 0.00 1.00 2.02 -0.63 -2.10 112.91 115.73 3h52 h THR 668 Ca 0.36 -0.41 -0.07 0.00 0.77 0.00 0.00 66.41 67.06 3h52 h THR 668 Cb -0.14 0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 66.38 3h52 h THR 668 CO -0.08 0.21 -0.31 -0.07 0.37 0.00 0.00 175.52 175.64 3h52 h LEU 669 N 1.03 0.00 -1.07 2.58 3.38 -0.25 -2.72 115.31 118.26 3h52 h LEU 669 Ca 0.27 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.15 3h52 h LEU 669 Cb -0.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 3h52 h LEU 669 CO -0.05 0.31 -0.46 -0.07 0.09 0.00 0.00 178.44 178.26 3h52 h LEU 670 N 0.00 0.02 -0.75 1.67 4.07 -0.61 -2.20 115.31 117.51 3h52 h LEU 670 Ca -0.00 -0.01 -0.01 0.00 0.08 0.00 0.00 57.88 57.93 3h52 h LEU 670 Cb 0.65 -0.01 -0.04 0.00 1.08 0.00 0.00 40.66 42.35 3h52 h LEU 670 CO 0.04 0.47 0.42 0.25 -1.08 0.00 0.00 178.44 178.54 3h52 h LEU 671 N 0.02 0.93 -3.99 1.67 5.85 -1.23 -3.14 115.31 115.42 3h52 h LEU 671 Ca -0.00 -0.09 -0.63 0.00 0.84 0.00 0.00 57.88 58.00 3h52 h LEU 671 Cb 0.82 -0.24 -0.29 0.00 0.37 0.00 0.00 40.66 41.31 3h52 h LEU 671 CO 0.06 0.76 0.81 0.18 -0.34 0.00 0.00 178.44 179.91 3h52 n LEU 672 N -4.46 7.41 -0.72 2.25 4.77 -0.87 -4.56 117.00 120.83 3h52 n LEU 672 Ca 0.07 -4.08 0.08 0.00 -0.03 0.00 0.00 56.01 52.05 3h52 n LEU 672 Cb 0.09 -0.94 0.10 0.00 -2.33 0.00 0.00 43.42 40.34 3h52 n LEU 672 CO 0.38 1.34 0.55 -1.54 -1.33 0.00 0.00 177.39 176.79 3h52 n SER 673 N -0.96 2.58 -3.64 -1.43 3.41 -0.94 -4.93 113.62 107.71 3h52 n SER 673 Ca 0.62 -1.75 -0.04 0.00 -0.26 0.00 0.00 58.87 57.43 3h52 n SER 673 Cb 0.95 -0.07 -0.06 0.00 -0.26 0.00 0.00 64.21 64.77 3h52 n SER 673 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3h52 s SER 674 N -1.28 -0.99 0.22 4.04 1.04 -1.26 -0.96 113.70 114.51 3h52 s SER 674 Ca 0.22 1.48 0.09 0.00 0.48 0.00 0.00 55.95 58.23 3h52 s SER 674 Cb 0.15 1.73 -0.05 0.00 0.10 0.00 0.00 66.02 67.95 3h52 s SER 674 CO 0.21 -0.22 -0.17 0.68 0.98 0.00 0.00 173.24 174.71 3h52 s VAL 675 N 2.11 2.03 0.22 5.02 -7.23 -0.65 -4.86 120.40 117.04 3h52 s VAL 675 Ca -0.08 -2.22 -0.32 0.00 -1.81 0.00 0.00 61.98 57.55 3h52 s VAL 675 Cb -0.08 -2.10 -0.12 0.00 0.56 0.00 0.00 36.38 34.64 3h52 s VAL 675 CO -0.19 -0.46 1.66 -2.65 -0.31 0.00 0.00 175.10 173.15 3h52 n PRO 676 N -0.32 2.64 0.25 4.82 -0.02 -1.26 -0.80 135.00 140.31 3h52 n PRO 676 Ca -0.08 0.95 0.11 0.00 -2.02 0.00 0.00 63.50 62.46 3h52 n PRO 676 Cb 0.59 -2.76 0.71 0.00 -0.02 0.00 0.00 33.50 32.02 3h52 n PRO 676 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3h52 h LYS 677 N 6.12 0.00 0.00 -0.52 3.64 -1.78 0.66 116.57 124.69 3h52 h LYS 677 Ca -0.44 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 58.88 3h52 h LYS 677 Cb 1.22 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.03 3h52 h LYS 677 CO 0.90 0.00 -0.25 0.22 -2.27 0.00 0.00 179.45 178.05 3h52 h ASP 678 N 0.00 0.00 -4.13 4.20 3.58 -1.89 -3.48 116.42 114.70 3h52 h ASP 678 Ca 0.02 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.47 3h52 h ASP 678 Cb 0.09 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.14 3h52 h ASP 678 CO -0.00 0.25 0.00 0.61 -2.88 0.00 0.00 179.24 177.22 3h52 n GLY 679 N -0.75 3.11 3.80 -0.78 0.00 0.23 -5.07 105.19 105.73 3h52 n GLY 679 Ca -0.02 -1.71 -0.31 0.00 0.00 0.00 0.00 46.02 43.97 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 0.00 3.17 0.06 0.99 1.43 -1.26 -4.73 118.68 118.35 3h52 s LEU 680 Ca 0.00 1.71 -0.23 0.00 -1.03 0.00 0.00 54.13 54.58 3h52 s LEU 680 Cb 0.00 -4.51 -0.14 0.00 0.03 0.00 0.00 46.19 41.57 3h52 s LEU 680 CO 0.00 -1.54 1.56 0.07 0.23 0.00 0.00 176.35 176.67 3h52 h LYS 681 N -0.61 0.12 -2.09 1.70 5.09 -1.97 -3.30 116.57 115.52 3h52 h LYS 681 Ca -0.44 -0.03 -0.77 0.00 0.09 0.00 0.00 60.65 59.51 3h52 h LYS 681 Cb 1.22 -0.02 -0.29 0.00 0.10 0.00 0.00 32.23 33.24 3h52 h LYS 681 CO 0.56 0.29 0.86 0.43 -2.09 0.00 0.00 179.45 179.49 3h52 n SER 682 N -4.91 7.14 -0.26 7.07 7.64 -1.26 -4.83 113.62 124.20 3h52 n SER 682 Ca -0.06 -3.76 -0.04 0.00 1.01 0.00 0.00 58.87 56.01 3h52 n SER 682 Cb 0.14 -1.05 0.07 0.00 -1.01 0.00 0.00 64.21 62.36 3h52 n SER 682 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 3h52 h GLN 683 N 3.46 0.94 0.31 1.43 1.08 -1.97 -1.17 115.11 119.18 3h52 h GLN 683 Ca 0.52 -0.06 -0.01 0.00 -1.45 0.00 0.00 58.65 57.65 3h52 h GLN 683 Cb 0.22 -0.21 0.00 0.00 -0.05 0.00 0.00 27.48 27.44 3h52 h GLN 683 CO 1.27 0.62 -0.15 0.00 -0.95 0.00 0.00 178.83 179.62 3h52 h ALA 684 N 1.28 -0.42 -0.98 3.87 0.00 -1.93 -0.68 119.26 120.41 3h52 h ALA 684 Ca 0.27 -0.09 0.16 0.00 0.00 0.00 0.00 54.91 55.26 3h52 h ALA 684 Cb -0.09 0.17 -0.10 0.00 0.00 0.00 0.00 17.79 17.78 3h52 h ALA 684 CO -0.07 -0.74 0.59 1.25 0.00 0.00 0.00 179.25 180.28 3h52 h LEU 685 N -0.42 0.78 0.07 0.00 5.85 -1.90 0.31 115.31 120.00 3h52 h LEU 685 Ca -0.04 0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 3h52 h LEU 685 Cb 0.33 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.30 3h52 h LEU 685 CO 0.06 0.33 -0.03 0.15 -0.34 0.00 0.00 178.44 178.61 3h52 h PHE 686 N 0.81 -0.09 -0.68 1.25 3.57 -0.85 -0.67 116.94 120.29 3h52 h PHE 686 Ca 0.54 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 62.00 3h52 h PHE 686 Cb 0.74 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.47 3h52 h PHE 686 CO -0.02 0.17 0.28 -0.44 -2.23 0.00 0.00 178.31 176.07 3h52 h ASP 687 N -0.34 0.90 -0.28 0.41 3.45 -0.51 0.52 116.42 120.58 3h52 h ASP 687 Ca -0.01 -0.12 0.03 0.00 0.43 0.00 0.00 57.03 57.36 3h52 h ASP 687 Cb 0.30 -0.23 -0.03 0.00 -0.56 0.00 0.00 39.33 38.80 3h52 h ASP 687 CO 0.02 0.80 0.08 0.00 -1.57 0.00 0.00 179.24 178.57 3h52 h ALA 688 N 1.33 0.31 -0.22 3.45 0.00 -0.87 0.38 119.26 123.64 3h52 h ALA 688 Ca 0.23 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3h52 h ALA 688 Cb 0.17 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3h52 h ALA 688 CO -0.02 -0.32 0.14 0.82 0.00 0.00 0.00 179.25 179.87 3h52 h ILE 689 N 0.20 1.07 -0.11 0.00 2.04 0.13 -2.80 117.51 118.06 3h52 h ILE 689 Ca 0.13 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.82 3h52 h ILE 689 Cb 0.11 0.78 -0.00 0.00 -0.74 0.00 0.00 36.82 36.96 3h52 h ILE 689 CO -0.14 0.07 0.03 -0.09 0.00 0.00 0.00 178.15 178.02 3h52 h ARG 690 N 0.29 0.17 -0.35 2.37 2.43 0.32 -2.40 114.38 117.21 3h52 h ARG 690 Ca 0.08 -0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.22 3h52 h ARG 690 Cb -0.01 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.50 3h52 h ARG 690 CO -0.02 0.34 0.23 0.52 -1.51 0.00 0.00 179.97 179.53 3h52 h MET 691 N -0.03 0.44 -0.80 0.20 2.86 -1.00 0.20 114.93 116.80 3h52 h MET 691 Ca 0.03 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 3h52 h MET 691 Cb 0.24 -0.10 -0.04 0.00 0.06 0.00 0.00 31.60 31.77 3h52 h MET 691 CO 0.00 0.29 0.45 1.15 1.06 0.00 0.00 176.91 179.86 3h52 h THR 692 N 0.45 1.24 0.00 2.22 2.02 -1.17 -0.56 112.91 117.11 3h52 h THR 692 Ca 0.13 -0.57 -0.09 0.00 0.77 0.00 0.00 66.41 66.65 3h52 h THR 692 Cb -0.03 0.16 -0.02 0.00 -1.74 0.00 0.00 68.15 66.52 3h52 h THR 692 CO -0.03 0.26 -1.03 1.88 0.37 0.00 0.00 175.52 176.97 3h52 h TYR 693 N 1.11 0.00 -0.28 3.16 0.05 -0.77 0.11 116.97 120.35 3h52 h TYR 693 Ca 0.28 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 59.02 3h52 h TYR 693 Cb 0.02 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.75 3h52 h TYR 693 CO 0.00 0.33 0.00 0.82 -1.05 0.00 0.00 178.16 178.27 3h52 h ILE 694 N 0.00 1.26 -0.45 -2.88 2.04 -0.62 -1.48 117.51 115.37 3h52 h ILE 694 Ca -0.07 -0.92 0.01 0.00 1.00 0.00 0.00 64.86 64.87 3h52 h ILE 694 Cb 1.32 1.31 -0.02 0.00 -0.74 0.00 0.00 36.82 38.69 3h52 h ILE 694 CO 0.03 0.29 0.29 0.50 0.00 0.00 0.00 178.15 179.26 3h52 h LYS 695 N 0.27 0.57 -0.45 2.37 3.64 -1.09 -2.62 116.57 119.25 3h52 h LYS 695 Ca 0.08 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 3h52 h LYS 695 Cb 0.42 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.09 3h52 h LYS 695 CO 0.01 0.38 0.29 1.49 -2.27 0.00 0.00 179.45 179.35 3h52 h GLU 696 N 0.59 0.60 0.20 1.90 4.57 -0.67 0.79 114.58 122.55 3h52 h GLU 696 Ca 0.17 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.30 3h52 h GLU 696 Cb -0.05 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 28.41 3h52 h GLU 696 CO -0.05 0.40 -0.09 1.25 -1.18 0.00 0.00 179.01 179.34 3h52 h LEU 697 N 0.62 -0.22 -0.81 1.64 5.85 -1.05 -1.73 115.31 119.61 3h52 h LEU 697 Ca 0.17 -0.01 0.15 0.00 0.84 0.00 0.00 57.88 59.03 3h52 h LEU 697 Cb -0.06 0.06 -0.10 0.00 0.37 0.00 0.00 40.66 40.93 3h52 h LEU 697 CO -0.03 -0.14 0.38 1.23 -0.34 0.00 0.00 178.44 179.53 3h52 h GLY 698 N -0.28 1.29 0.95 3.75 0.00 -0.83 -0.36 103.07 107.58 3h52 h GLY 698 Ca -0.03 -0.20 0.02 0.00 0.00 0.00 0.00 47.33 47.12 3h52 h GLY 698 CO 0.04 -0.08 0.44 0.50 0.00 0.00 0.00 176.54 177.44 3h52 h LYS 699 N 0.53 0.85 -0.66 4.80 1.57 -0.57 -2.60 116.57 120.50 3h52 h LYS 699 Ca 0.45 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 59.14 3h52 h LYS 699 Cb 0.67 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.76 3h52 h LYS 699 CO -0.39 0.57 0.26 0.00 -0.57 0.00 0.00 179.45 179.32 3h52 h ALA 700 N 1.27 0.86 -0.37 3.86 0.00 -0.19 -1.76 119.26 122.91 3h52 h ALA 700 Ca 0.26 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 55.03 3h52 h ALA 700 Cb -0.05 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.44 3h52 h ALA 700 CO -0.08 0.48 0.14 0.82 0.00 0.00 0.00 179.25 180.62 3h52 h ILE 701 N 0.93 0.91 -0.38 0.00 2.04 -1.06 -2.45 117.51 117.51 3h52 h ILE 701 Ca 0.22 -0.11 -0.09 0.00 1.00 0.00 0.00 64.86 65.88 3h52 h ILE 701 Cb 0.21 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 3h52 h ILE 701 CO -0.02 0.06 -0.13 0.58 0.00 0.00 0.00 178.15 178.64 3h52 h VAL 702 N 0.31 1.25 -0.06 1.67 2.07 -1.33 0.19 116.25 120.35 3h52 h VAL 702 Ca 0.17 -1.15 0.02 0.00 0.82 0.00 0.00 66.70 66.55 3h52 h VAL 702 Cb 0.13 1.10 -0.00 0.00 -1.52 0.00 0.00 31.29 31.00 3h52 h VAL 702 CO -0.16 0.39 0.20 0.11 0.02 0.00 0.00 177.57 178.13 3h52 h LYS 703 N 0.62 0.00 0.00 1.57 6.56 -0.85 -3.25 116.57 121.22 3h52 h LYS 703 Ca 0.11 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.70 3h52 h LYS 703 Cb 0.58 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.24 3h52 h LYS 703 CO 0.04 0.00 -0.60 -2.13 -2.06 0.00 0.00 179.45 174.70 3h52 n ARG 704 N -3.22 0.32 -0.84 3.15 0.63 -0.81 -5.07 116.66 110.81 3h52 n ARG 704 Ca -0.01 0.13 -0.12 0.00 -0.92 0.00 0.00 57.85 56.93 3h52 n ARG 704 Cb 0.28 -1.03 0.08 0.00 0.45 0.00 0.00 32.46 32.24 3h52 n ARG 704 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 3h52 n GLU 705 N -3.77 -0.44 0.00 -0.14 1.02 -0.01 -5.11 120.64 112.19 3h52 n GLU 705 Ca -0.08 -0.86 0.00 0.00 -0.02 0.00 0.00 57.16 56.19 3h52 n GLU 705 Cb 0.31 -0.53 0.00 0.00 -0.02 0.00 0.00 31.44 31.20 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 1.52 0.74 3.68 0.62 0.00 -1.26 -4.81 105.19 105.68 3h52 n GLY 706 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 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 1.35 -0.16 1.61 3.02 -1.26 -4.85 115.26 114.97 3h52 n ASN 707 Ca 0.00 0.77 -0.09 0.00 -0.03 0.00 0.00 54.58 55.23 3h52 n ASN 707 Cb 0.00 -1.48 0.00 0.00 -0.61 0.00 0.00 39.78 37.69 3h52 n ASN 707 CO 0.00 0.00 0.00 -1.28 -2.62 0.00 0.00 177.26 173.36 3h52 h SER 708 N 0.22 0.65 -0.54 6.41 0.87 -2.00 -2.94 113.55 116.22 3h52 h SER 708 Ca -0.49 -0.19 0.10 0.00 -1.23 0.00 0.00 61.79 59.97 3h52 h SER 708 Cb 1.34 -0.17 -0.08 0.00 -0.44 0.00 0.00 62.40 63.06 3h52 h SER 708 CO 0.51 0.67 0.12 0.77 -0.53 0.00 0.00 176.83 178.36 3h52 h SER 709 N 0.59 0.02 -0.85 6.23 4.64 -2.04 -2.33 113.55 119.81 3h52 h SER 709 Ca 0.15 0.10 -0.35 0.00 -0.47 0.00 0.00 61.79 61.22 3h52 h SER 709 Cb 0.24 0.13 -0.21 0.00 -0.31 0.00 0.00 62.40 62.26 3h52 h SER 709 CO -0.01 0.03 0.44 0.00 -0.87 0.00 0.00 176.83 176.42 3h52 n GLN 710 N -5.11 3.12 -0.11 4.77 1.13 -1.18 -3.96 117.38 116.05 3h52 n GLN 710 Ca 0.07 -3.07 -0.24 0.00 -1.94 0.00 0.00 57.00 51.82 3h52 n GLN 710 Cb 0.27 -2.21 -0.11 0.00 0.11 0.00 0.00 30.24 28.30 3h52 n GLN 710 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 3h52 n ASN 711 N -0.57 1.94 0.28 1.08 5.03 -0.88 -4.40 115.26 117.74 3h52 n ASN 711 Ca 0.49 0.32 0.16 0.00 0.87 0.00 0.00 54.58 56.42 3h52 n ASN 711 Cb 1.52 -0.85 0.92 0.00 -1.02 0.00 0.00 39.78 40.35 3h52 n ASN 711 CO 0.00 0.00 0.00 -1.28 -1.83 0.00 0.00 177.26 174.15 3h52 h SER 712 N -0.79 0.00 -0.82 6.41 0.87 -1.68 0.50 113.55 118.04 3h52 h SER 712 Ca -0.51 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.05 3h52 h SER 712 Cb 1.56 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.48 3h52 h SER 712 CO -0.25 0.00 0.52 -0.61 -0.53 0.00 0.00 176.83 175.97 3h52 h GLN 713 N 0.00 1.09 -0.13 2.24 4.15 -1.78 -0.09 115.11 120.59 3h52 h GLN 713 Ca 0.02 -0.08 -0.09 0.00 0.77 0.00 0.00 58.65 59.27 3h52 h GLN 713 Cb 0.11 -0.24 0.00 0.00 0.21 0.00 0.00 27.48 27.56 3h52 h GLN 713 CO -0.00 0.75 -0.27 -0.09 -1.93 0.00 0.00 178.83 177.28 3h52 h ARG 714 N 1.12 0.42 -0.70 1.69 2.43 -0.24 0.10 114.38 119.20 3h52 h ARG 714 Ca 0.30 -0.28 0.03 0.00 -0.81 0.00 0.00 59.98 59.22 3h52 h ARG 714 Cb -0.09 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.46 3h52 h ARG 714 CO -0.06 0.88 0.46 0.35 -1.51 0.00 0.00 179.97 180.09 3h52 h PHE 715 N 0.02 0.83 -0.18 2.20 3.57 -1.25 0.38 116.94 122.51 3h52 h PHE 715 Ca 0.00 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.49 3h52 h PHE 715 Cb 0.87 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.32 3h52 h PHE 715 CO 0.10 0.49 -0.01 -0.92 -2.23 0.00 0.00 178.31 175.75 3h52 h TYR 716 N 0.87 0.36 -0.28 0.41 3.20 -0.94 -1.96 116.97 118.62 3h52 h TYR 716 Ca 0.28 -0.06 -0.18 0.00 3.14 0.00 0.00 58.73 61.91 3h52 h TYR 716 Cb 0.02 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.20 3h52 h TYR 716 CO -0.00 0.54 -0.51 1.96 -1.64 0.00 0.00 178.16 178.51 3h52 h GLN 717 N 0.07 0.84 -0.34 1.82 4.20 -0.29 0.18 115.11 121.58 3h52 h GLN 717 Ca 0.05 -0.53 -0.05 0.00 0.06 0.00 0.00 58.65 58.18 3h52 h GLN 717 Cb 0.40 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.23 3h52 h GLN 717 CO 0.01 1.16 0.01 -0.07 -0.67 0.00 0.00 178.83 179.28 3h52 h LEU 718 N 0.61 0.57 -1.19 1.46 3.38 -0.38 -2.73 115.31 117.03 3h52 h LEU 718 Ca 0.02 -0.30 -0.07 0.00 0.09 0.00 0.00 57.88 57.62 3h52 h LEU 718 Cb 1.12 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 3h52 h LEU 718 CO 0.11 0.73 -0.16 0.71 0.09 0.00 0.00 178.44 179.92 3h52 h THR 719 N 0.40 1.22 -0.41 0.22 1.35 -1.28 -2.17 112.91 112.23 3h52 h THR 719 Ca 0.10 -0.99 -0.02 0.00 -0.55 0.00 0.00 66.41 64.95 3h52 h THR 719 Cb 0.42 1.23 -0.02 0.00 -1.73 0.00 0.00 68.15 68.05 3h52 h THR 719 CO 0.01 0.31 0.17 0.50 -0.25 0.00 0.00 175.52 176.27 3h52 h LYS 720 N 0.35 0.58 0.05 4.72 1.63 -0.53 -0.64 116.57 122.72 3h52 h LYS 720 Ca 0.06 -0.07 -0.00 0.00 -0.85 0.00 0.00 60.65 59.79 3h52 h LYS 720 Cb 0.48 -0.11 0.00 0.00 -0.60 0.00 0.00 32.23 32.00 3h52 h LYS 720 CO 0.03 0.47 -0.02 1.25 -3.45 0.00 0.00 179.45 177.73 3h52 h LEU 721 N 0.58 -0.06 -0.38 5.20 5.85 -1.10 -1.56 115.31 123.84 3h52 h LEU 721 Ca 0.14 -0.30 0.08 0.00 0.84 0.00 0.00 57.88 58.64 3h52 h LEU 721 Cb 0.10 0.01 -0.08 0.00 0.37 0.00 0.00 40.66 41.07 3h52 h LEU 721 CO -0.02 0.28 -0.15 -0.07 -0.34 0.00 0.00 178.44 178.14 3h52 h LEU 722 N -0.39 -0.53 -0.75 2.25 3.38 -1.16 -0.36 115.31 117.75 3h52 h LEU 722 Ca -0.01 0.13 0.15 0.00 0.09 0.00 0.00 57.88 58.25 3h52 h LEU 722 Cb 0.35 0.30 -0.10 0.00 0.09 0.00 0.00 40.66 41.31 3h52 h LEU 722 CO 0.01 -0.19 0.27 0.44 0.09 0.00 0.00 178.44 179.06 3h52 h ASP 723 N -0.08 0.20 0.47 -0.43 5.19 -1.04 -1.50 116.42 119.24 3h52 h ASP 723 Ca 0.19 0.12 0.00 0.00 -0.62 0.00 0.00 57.03 56.72 3h52 h ASP 723 Cb 0.37 0.12 0.00 0.00 0.18 0.00 0.00 39.33 40.00 3h52 h ASP 723 CO -0.43 0.06 0.00 -1.54 -3.12 0.00 0.00 179.24 174.21 3h52 n SER 724 N -5.05 0.00 0.17 6.45 3.41 -0.20 -3.01 113.62 115.39 3h52 n SER 724 Ca 0.14 0.00 0.02 0.00 -0.26 0.00 0.00 58.87 58.77 3h52 n SER 724 Cb 0.44 -0.30 0.28 0.00 -0.26 0.00 0.00 64.21 64.36 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 -0.71 4.33 2.86 -0.68 -2.80 114.93 117.93 3h52 h MET 725 Ca 0.00 0.00 0.09 0.00 -2.06 0.00 0.00 59.70 57.73 3h52 h MET 725 Cb 0.24 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 31.83 3h52 h MET 725 CO 0.00 0.48 0.36 0.45 1.06 0.00 0.00 176.91 179.26 3h52 h HIS 726 N 0.00 0.65 -0.01 -0.22 3.86 -1.68 0.37 115.15 118.12 3h52 h HIS 726 Ca -0.00 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.23 3h52 h HIS 726 Cb 0.89 -0.19 -0.00 0.00 1.06 0.00 0.00 27.41 29.18 3h52 h HIS 726 CO 0.00 0.25 0.00 1.49 0.86 0.00 0.00 177.93 180.54 3h52 h GLU 727 N 0.63 0.01 -0.44 2.45 4.81 -1.72 -1.31 114.58 119.02 3h52 h GLU 727 Ca 0.34 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.55 3h52 h GLU 727 Cb 0.33 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.69 3h52 h GLU 727 CO -0.25 0.11 0.18 -0.24 -0.73 0.00 0.00 179.01 178.08 3h52 h VAL 728 N -0.09 1.20 -0.03 0.32 3.04 -1.28 -2.76 116.25 116.65 3h52 h VAL 728 Ca 0.00 -0.60 0.03 0.00 -1.01 0.00 0.00 66.70 65.12 3h52 h VAL 728 Cb 0.10 0.78 -0.03 0.00 -2.01 0.00 0.00 31.29 30.13 3h52 h VAL 728 CO -0.00 0.22 -0.14 0.58 -1.01 0.00 0.00 177.57 177.22 3h52 h VAL 729 N 0.56 0.64 -0.28 1.51 2.07 -0.23 -1.99 116.25 118.54 3h52 h VAL 729 Ca 0.15 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.62 3h52 h VAL 729 Cb 0.17 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 3h52 h VAL 729 CO -0.01 0.00 -0.02 -0.08 0.02 0.00 0.00 177.57 177.48 3h52 h GLU 730 N -0.23 0.42 -0.08 1.57 4.81 -1.16 -1.52 114.58 118.39 3h52 h GLU 730 Ca 0.06 -0.08 -0.13 0.00 -0.13 0.00 0.00 59.36 59.07 3h52 h GLU 730 Cb 0.30 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 3h52 h GLU 730 CO -0.16 0.47 -0.54 -0.91 -0.73 0.00 0.00 179.01 177.13 3h52 h ASN 731 N 0.41 0.26 0.45 1.04 -0.26 -1.32 -3.09 115.58 113.06 3h52 h ASN 731 Ca 0.09 -0.13 -0.11 0.00 -0.56 0.00 0.00 56.30 55.58 3h52 h ASN 731 Cb 0.30 -0.07 -0.01 0.00 -1.06 0.00 0.00 38.32 37.47 3h52 h ASN 731 CO 0.01 0.75 -0.50 -0.07 -1.06 0.00 0.00 177.43 176.56 3h52 h LEU 732 N 0.18 0.07 -0.78 1.61 3.38 -0.55 -3.04 115.31 116.18 3h52 h LEU 732 Ca 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3h52 h LEU 732 Cb 1.02 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.75 3h52 h LEU 732 CO 0.08 0.56 0.00 -0.07 0.09 0.00 0.00 178.44 179.10 3h52 h LEU 733 N 0.05 0.00 -0.70 1.67 4.07 -1.23 -2.44 115.31 116.73 3h52 h LEU 733 Ca -0.00 0.00 -0.14 0.00 0.08 0.00 0.00 57.88 57.82 3h52 h LEU 733 Cb 0.90 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.63 3h52 h LEU 733 CO 0.07 0.00 -0.64 0.78 -1.08 0.00 0.00 178.44 177.57 3h52 h ASN 734 N 0.00 0.06 0.00 -0.43 -0.26 -1.49 -2.53 115.58 110.94 3h52 h ASN 734 Ca 0.00 -0.04 0.00 0.00 -0.56 0.00 0.00 56.30 55.70 3h52 h ASN 734 Cb 0.61 -0.02 0.00 0.00 -1.06 0.00 0.00 38.32 37.85 3h52 h ASN 734 CO 0.00 0.68 0.00 -1.22 -1.06 0.00 0.00 177.43 175.83 3h52 n TYR 735 N -3.80 0.00 0.30 1.19 4.01 -0.94 -2.89 117.16 115.03 3h52 n TYR 735 Ca -0.01 0.00 0.18 0.00 -0.16 0.00 0.00 57.90 57.90 3h52 n TYR 735 Cb 0.63 -0.43 0.78 0.00 -0.31 0.00 0.00 39.34 40.02 3h52 n TYR 735 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3h52 h PHE 737 N 0.00 0.20 0.00 0.00 -5.15 -1.62 -3.37 116.94 107.01 3h52 h PHE 737 Ca 0.00 -0.15 0.00 0.00 -0.20 0.00 0.00 57.97 57.62 3h52 h PHE 737 Cb 0.34 -0.01 0.00 0.00 0.22 0.00 0.00 35.95 36.50 3h52 h PHE 737 CO 0.00 1.14 0.00 1.04 -2.00 0.00 0.00 178.31 178.49 3h52 n GLN 738 N -3.38 0.00 0.00 6.09 6.02 -0.14 -4.93 117.38 121.04 3h52 n GLN 738 Ca -0.07 0.20 0.00 0.00 -0.01 0.00 0.00 57.00 57.13 3h52 n GLN 738 Cb 0.99 -0.64 0.00 0.00 1.02 0.00 0.00 30.24 31.61 3h52 n GLN 738 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 177.06 173.68 3h52 n THR 739 N -1.79 0.00 -1.76 5.09 5.66 0.77 -5.07 114.28 117.19 3h52 n THR 739 Ca 0.00 0.34 -0.29 0.00 -3.05 0.00 0.00 64.05 61.04 3h52 n THR 739 Cb 0.00 -0.86 0.14 0.00 -1.55 0.00 0.00 70.33 68.06 3h52 n THR 739 CO 0.00 0.00 0.00 0.12 -3.05 0.00 0.00 175.07 172.14 3h52 s PHE 740 N -0.15 2.26 0.00 1.09 5.99 -1.23 -4.93 117.98 121.01 3h52 s PHE 740 Ca 0.00 0.63 0.00 0.00 0.00 0.00 0.00 56.93 57.56 3h52 s PHE 740 Cb 0.00 -3.66 0.00 0.00 0.00 0.00 0.00 43.02 39.36 3h52 s PHE 740 CO 0.00 -2.34 0.00 0.00 -0.00 0.00 0.00 175.22 172.88 3h52 n ALA 754 N -3.67 0.00 -3.65 11.12 0.00 -1.26 -4.86 120.51 118.19 3h52 n ALA 754 Ca 0.10 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.53 3h52 n ALA 754 Cb 0.60 -0.03 -0.07 0.00 0.00 0.00 0.00 19.45 19.96 3h52 n ALA 754 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3h52 s GLU 755 N -0.57 0.16 -0.04 0.00 -6.30 -1.26 -5.10 118.70 105.60 3h52 s GLU 755 Ca 0.00 0.24 -0.26 0.00 -2.50 0.00 0.00 54.97 52.45 3h52 s GLU 755 Cb 0.00 0.05 -0.21 0.00 0.00 0.00 0.00 34.13 33.97 3h52 s GLU 755 CO 0.00 -0.03 1.19 0.97 0.02 0.00 0.00 175.26 177.41 3h52 h ILE 756 N 4.34 1.45 -0.65 -3.70 -0.00 -2.03 -2.63 117.51 114.29 3h52 h ILE 756 Ca -0.27 -1.37 -0.04 0.00 -0.00 0.00 0.00 64.86 63.19 3h52 h ILE 756 Cb 1.18 2.35 -0.03 0.00 -0.00 0.00 0.00 36.82 40.32 3h52 h ILE 756 CO 0.20 0.36 0.26 0.40 -0.00 0.00 0.00 178.15 179.37 3h52 h ILE 757 N -0.53 1.23 0.00 2.19 1.08 -2.00 0.32 117.51 119.79 3h52 h ILE 757 Ca 0.00 -0.71 0.00 0.00 -0.39 0.00 0.00 64.86 63.76 3h52 h ILE 757 Cb 0.60 0.45 0.00 0.00 -3.07 0.00 0.00 36.82 34.80 3h52 h ILE 757 CO 0.00 0.28 0.00 0.35 -0.69 0.00 0.00 178.15 178.10 3h52 n THR 758 N -4.31 0.72 -0.09 -0.27 -2.24 -1.22 -2.64 114.28 104.23 3h52 n THR 758 Ca 0.06 0.18 -0.20 0.00 -2.27 0.00 0.00 64.05 61.81 3h52 n THR 758 Cb 0.17 -0.90 -0.12 0.00 -2.10 0.00 0.00 70.33 67.38 3h52 n THR 758 CO 0.00 0.00 0.00 -1.13 -0.57 0.00 0.00 175.07 173.37 3h52 h ASN 759 N 0.00 0.03 -0.62 3.42 -0.73 -0.01 -3.36 115.58 114.31 3h52 h ASN 759 Ca 0.00 -0.64 0.01 0.00 1.87 0.00 0.00 56.30 57.54 3h52 h ASN 759 Cb 0.23 -0.01 -0.03 0.00 0.27 0.00 0.00 38.32 38.78 3h52 h ASN 759 CO 0.00 1.41 0.41 1.56 -0.37 0.00 0.00 177.43 180.44 3h52 h GLN 760 N -0.93 0.79 0.03 6.67 4.20 -1.25 -3.15 115.11 121.47 3h52 h GLN 760 Ca -0.28 -0.05 -0.26 0.00 0.06 0.00 0.00 58.65 58.13 3h52 h GLN 760 Cb 1.29 -0.18 0.01 0.00 0.30 0.00 0.00 27.48 28.90 3h52 h GLN 760 CO -0.14 0.52 -1.05 0.82 -0.67 0.00 0.00 178.83 178.31 3h52 h ILE 761 N 0.81 1.35 -0.93 2.54 2.04 -1.70 -3.24 117.51 118.39 3h52 h ILE 761 Ca 0.24 -2.43 -0.72 0.00 1.00 0.00 0.00 64.86 62.94 3h52 h ILE 761 Cb -0.04 2.49 -0.10 0.00 -0.74 0.00 0.00 36.82 38.44 3h52 h ILE 761 CO -0.06 0.73 2.64 -2.65 0.00 0.00 0.00 178.15 178.82 3h52 n PRO 762 N -3.77 4.38 -4.05 2.37 -0.02 -1.19 -4.63 135.00 128.10 3h52 n PRO 762 Ca -0.09 -3.19 -0.33 0.00 -2.02 0.00 0.00 63.50 57.86 3h52 n PRO 762 Cb 0.89 -2.65 -0.15 0.00 -0.02 0.00 0.00 33.50 31.57 3h52 n PRO 762 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3h52 s LYS 763 N -0.53 2.73 -0.96 -0.52 3.01 -1.22 -5.01 119.74 117.24 3h52 s LYS 763 Ca 0.57 -1.03 -0.26 0.00 -1.01 0.00 0.00 55.97 54.24 3h52 s LYS 763 Cb 0.19 -2.81 -0.23 0.00 -1.01 0.00 0.00 37.83 33.97 3h52 s LYS 763 CO -0.09 -0.38 2.57 2.48 0.51 0.00 0.00 175.35 180.44 3h52 n TYR 764 N 4.58 0.53 -2.57 3.18 4.11 -1.26 -4.94 117.16 120.80 3h52 n TYR 764 Ca -0.17 0.28 -0.35 0.00 -0.00 0.00 0.00 57.90 57.65 3h52 n TYR 764 Cb 0.47 -2.04 -0.04 0.00 -0.00 0.00 0.00 39.34 37.73 3h52 n TYR 764 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.86 175.74 3h52 s SER 765 N 7.55 6.57 0.00 9.48 0.01 -1.26 -5.04 113.70 131.02 3h52 s SER 765 Ca 1.31 1.95 0.00 0.00 1.31 0.00 0.00 55.95 60.52 3h52 s SER 765 Cb -1.07 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 62.59 3h52 s SER 765 CO 0.48 -0.62 0.00 0.59 0.41 0.00 0.00 173.24 174.10 3h52 n ASN 766 N -0.56 0.00 -4.77 2.44 3.02 -1.26 -5.15 115.26 108.97 3h52 n ASN 766 Ca 0.07 0.00 -0.28 0.00 -0.03 0.00 0.00 54.58 54.34 3h52 n ASN 766 Cb 0.51 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.62 3h52 n ASN 766 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3h52 s GLY 767 N -1.60 2.61 -1.25 7.41 0.00 -1.26 -4.77 107.32 108.45 3h52 s GLY 767 Ca 0.00 -1.33 -0.07 0.00 0.00 0.00 0.00 44.72 43.32 3h52 s GLY 767 CO 0.00 -2.04 1.09 1.16 0.00 0.00 0.00 173.10 173.31 3h52 n ASN 768 N -1.34 -5.47 -4.12 1.64 0.23 -1.26 -5.01 115.26 99.94 3h52 n ASN 768 Ca -0.08 -0.52 -0.34 0.00 -0.53 0.00 0.00 54.58 53.11 3h52 n ASN 768 Cb 0.66 -4.78 -0.14 0.00 -2.08 0.00 0.00 39.78 33.44 3h52 n ASN 768 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 3h52 s ILE 769 N -3.31 2.73 -0.60 1.53 1.01 -1.26 -2.27 121.20 119.03 3h52 s ILE 769 Ca 0.46 -1.66 -0.28 0.00 0.00 0.00 0.00 60.65 59.18 3h52 s ILE 769 Cb -0.20 -2.67 0.02 0.00 0.01 0.00 0.00 42.46 39.61 3h52 s ILE 769 CO 0.69 -0.22 1.40 -0.75 0.00 0.00 0.00 174.94 176.05 3h52 s LYS 770 N 1.15 3.27 -0.46 2.79 2.20 0.02 -4.84 119.74 123.88 3h52 s LYS 770 Ca -0.02 0.33 -0.29 0.00 -0.36 0.00 0.00 55.97 55.63 3h52 s LYS 770 Cb -0.20 -4.14 0.03 0.00 -1.51 0.00 0.00 37.83 32.01 3h52 s LYS 770 CO -0.03 -1.99 1.13 0.15 -0.36 0.00 0.00 175.35 174.24 3h52 s LYS 771 N 5.58 3.76 0.24 4.03 1.02 -1.26 -1.64 119.74 131.47 3h52 s LYS 771 Ca 0.49 0.61 -0.30 0.00 0.02 0.00 0.00 55.97 56.80 3h52 s LYS 771 Cb -0.10 -3.89 -0.09 0.00 -0.52 0.00 0.00 37.83 33.23 3h52 s LYS 771 CO 0.23 -1.32 1.34 -0.51 -0.92 0.00 0.00 175.35 174.16 3h52 s LEU 772 N 4.35 4.42 0.04 3.17 1.43 -0.13 -4.98 118.68 126.98 3h52 s LEU 772 Ca 0.47 2.53 0.06 0.00 -1.03 0.00 0.00 54.13 56.17 3h52 s LEU 772 Cb -0.08 -3.62 -0.02 0.00 0.03 0.00 0.00 46.19 42.50 3h52 s LEU 772 CO 0.30 -0.56 -0.18 -0.76 0.23 0.00 0.00 176.35 175.38 3h52 s LEU 773 N -0.60 2.17 0.00 1.79 2.01 -1.26 -4.82 118.68 117.97 3h52 s LEU 773 Ca 0.55 -0.50 0.26 0.00 0.01 0.00 0.00 54.13 54.46 3h52 s LEU 773 Cb -0.38 -0.84 0.77 0.00 0.01 0.00 0.00 46.19 45.75 3h52 s LEU 773 CO 0.43 0.11 1.59 0.49 1.01 0.00 0.00 176.35 179.98 3h52 n PHE 774 N 1.87 0.00 -3.57 0.29 3.72 -1.26 -4.87 117.46 113.63 3h52 n PHE 774 Ca -0.17 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.09 3h52 n PHE 774 Cb 0.54 -0.24 -0.12 0.00 -0.94 0.00 0.00 39.48 38.72 3h52 n PHE 774 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 176.76 175.70 3h52 s HIS 775 N -2.79 -0.50 0.00 1.38 3.76 -1.26 -5.06 115.29 110.82 3h52 s HIS 775 Ca 0.18 0.84 0.00 0.00 -0.15 0.00 0.00 55.06 55.93 3h52 s HIS 775 Cb 0.19 -0.06 0.00 0.00 1.11 0.00 0.00 32.58 33.81 3h52 s HIS 775 CO 0.60 -0.48 0.00 0.00 -0.85 0.00 0.00 174.74 174.00