#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1udu n ARG 538 N 0.00 0.12 0.00 -0.78 1.74 -1.26 -1.53 116.66 114.95 1udu n ARG 538 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1udu n ARG 538 Cb 0.00 -1.45 0.00 0.00 -1.02 0.00 0.00 32.46 29.99 1udu n ARG 538 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1udu n GLU 539 N -0.95 0.00 -0.22 5.56 2.13 -1.26 -4.02 120.64 121.88 1udu n GLU 539 Ca 0.03 0.07 -0.07 0.00 0.66 0.00 0.00 57.16 57.84 1udu n GLU 539 Cb 0.01 -0.47 -0.02 0.00 0.27 0.00 0.00 31.44 31.23 1udu n GLU 539 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 1udu h LEU 540 N 0.00 -1.44 -0.88 4.31 5.85 -1.87 0.32 115.31 121.60 1udu h LEU 540 Ca 0.00 0.25 0.17 0.00 0.84 0.00 0.00 57.88 59.14 1udu h LEU 540 Cb 0.00 0.67 -0.16 0.00 0.37 0.00 0.00 40.66 41.53 1udu h LEU 540 CO 0.00 -0.32 -0.24 1.56 -0.34 0.00 0.00 178.44 179.09 1udu h GLN 541 N -0.20 -0.01 0.00 1.25 4.20 -1.53 0.75 115.11 119.56 1udu h GLN 541 Ca 0.20 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.91 1udu h GLN 541 Cb 0.56 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.34 1udu h GLN 541 CO -0.71 -0.01 0.00 0.45 -0.67 0.00 0.00 178.83 177.90 1udu n SER 542 N -5.55 0.00 0.18 1.46 2.88 0.10 -0.74 113.62 111.95 1udu n SER 542 Ca 0.13 0.98 0.11 0.00 -1.33 0.00 0.00 58.87 58.75 1udu n SER 542 Cb 0.44 -0.48 0.57 0.00 -0.75 0.00 0.00 64.21 63.99 1udu n SER 542 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1udu h LEU 543 N 0.00 0.00 0.07 2.46 6.46 -0.54 -2.39 115.31 121.37 1udu h LEU 543 Ca 0.00 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.76 1udu h LEU 543 Cb 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.93 1udu h LEU 543 CO 0.00 0.00 -0.03 0.00 -0.62 0.00 0.00 178.44 177.79 1udu h ALA 544 N 1.71 -0.09 -0.73 1.25 0.00 0.12 -3.36 119.26 118.15 1udu h ALA 544 Ca 0.00 -0.15 -0.61 0.00 0.00 0.00 0.00 54.91 54.15 1udu h ALA 544 Cb 0.23 0.04 -0.22 0.00 0.00 0.00 0.00 17.79 17.84 1udu h ALA 544 CO 0.00 -0.10 0.67 0.00 0.00 0.00 0.00 179.25 179.83 1udu n ALA 545 N -2.71 6.48 -2.71 0.00 0.00 0.08 -4.87 120.51 116.78 1udu n ALA 545 Ca -0.04 -3.49 0.00 0.00 0.00 0.00 0.00 53.44 49.91 1udu n ALA 545 Cb 0.16 -2.08 0.00 0.00 0.00 0.00 0.00 19.45 17.53 1udu n ALA 545 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1udu n ALA 546 N 0.28 0.00 -3.48 0.00 0.00 -1.14 -4.96 120.51 111.21 1udu n ALA 546 Ca 0.51 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.77 1udu n ALA 546 Cb 0.42 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.74 1udu n ALA 546 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1udu s VAL 547 N 3.31 -0.34 -0.73 0.00 1.01 -1.26 -5.10 120.40 117.29 1udu s VAL 547 Ca 0.00 -0.15 -0.27 0.00 0.00 0.00 0.00 61.98 61.57 1udu s VAL 547 Cb 0.00 -0.71 0.02 0.00 0.00 0.00 0.00 36.38 35.69 1udu s VAL 547 CO 0.00 -0.23 1.46 0.68 0.00 0.00 0.00 175.10 177.01 1udu s VAL 548 N 2.33 3.63 0.00 2.92 -7.23 -1.26 -4.97 120.40 115.82 1udu s VAL 548 Ca 0.07 0.26 0.00 0.00 -1.81 0.00 0.00 61.98 60.51 1udu s VAL 548 Cb -0.16 -4.65 0.00 0.00 0.56 0.00 0.00 36.38 32.14 1udu s VAL 548 CO -0.14 -1.59 0.00 -2.65 -0.31 0.00 0.00 175.10 170.41 1udu n PRO 549 N 9.29 0.00 -3.61 4.82 -0.02 -1.26 -4.98 135.00 139.23 1udu n PRO 549 Ca 0.10 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.54 1udu n PRO 549 Cb 0.50 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 33.96 1udu n PRO 549 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1udu s SER 550 N -1.83 -0.23 0.50 2.55 1.04 -1.26 -4.93 113.70 109.54 1udu s SER 550 Ca 0.00 -0.15 0.33 0.00 0.48 0.00 0.00 55.95 56.61 1udu s SER 550 Cb 0.00 0.35 1.81 0.00 0.10 0.00 0.00 66.02 68.28 1udu s SER 550 CO 0.00 -0.61 2.02 0.00 0.98 0.00 0.00 173.24 175.63 1udu h ALA 551 N 2.00 1.00 0.00 5.32 0.00 -1.95 -0.15 119.26 125.48 1udu h ALA 551 Ca -0.22 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.36 1udu h ALA 551 Cb 1.22 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.95 1udu h ALA 551 CO 0.28 0.00 -2.23 0.94 0.00 0.00 0.00 179.25 178.23 1udu n GLN 552 N -2.67 0.53 -0.02 0.00 7.27 -1.26 -2.26 117.38 118.97 1udu n GLN 552 Ca -0.02 0.14 0.01 0.00 0.07 0.00 0.00 57.00 57.20 1udu n GLN 552 Cb 0.06 -1.41 0.34 0.00 2.41 0.00 0.00 30.24 31.64 1udu n GLN 552 CO 0.00 0.00 0.00 1.15 0.07 0.00 0.00 177.06 178.28 1udu h THR 553 N -0.14 1.16 0.00 1.69 2.02 -1.86 -2.63 112.91 113.15 1udu h THR 553 Ca -0.50 -0.54 0.00 0.00 0.77 0.00 0.00 66.41 66.14 1udu h THR 553 Cb 1.70 0.72 0.00 0.00 -1.74 0.00 0.00 68.15 68.84 1udu h THR 553 CO -0.12 0.20 -0.87 0.18 0.37 0.00 0.00 175.52 175.28 1udu n LEU 554 N -4.36 0.68 -4.19 2.58 4.77 -0.09 -4.91 117.00 111.48 1udu n LEU 554 Ca 0.03 -0.15 -0.36 0.00 -0.03 0.00 0.00 56.01 55.50 1udu n LEU 554 Cb 0.16 -0.12 -0.02 0.00 -2.33 0.00 0.00 43.42 41.12 1udu n LEU 554 CO 0.37 0.13 -0.02 0.29 -1.33 0.00 0.00 177.39 176.84 1udu n LYS 555 N -1.69 -3.43 -0.01 3.23 5.02 -0.99 -4.78 118.16 115.51 1udu n LYS 555 Ca 0.04 0.40 0.08 0.00 -2.02 0.00 0.00 58.31 56.80 1udu n LYS 555 Cb 0.38 -5.13 0.44 0.00 -0.02 0.00 0.00 35.03 30.69 1udu n LYS 555 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 1udu n ILE 556 N -4.42 0.04 -0.66 -0.18 -5.35 -0.96 -3.96 119.36 103.87 1udu n ILE 556 Ca 0.06 -0.05 0.08 0.00 -0.27 0.00 0.00 62.75 62.58 1udu n ILE 556 Cb 0.50 -0.16 0.37 0.00 -1.74 0.00 0.00 39.64 38.61 1udu n ILE 556 CO 0.00 0.00 0.00 0.41 -1.76 0.00 0.00 176.55 175.20 1udu n THR 557 N -0.58 2.13 -4.33 7.28 -1.04 -1.25 -4.58 114.28 111.90 1udu n THR 557 Ca 0.12 -1.23 -0.21 0.00 -2.04 0.00 0.00 64.05 60.69 1udu n THR 557 Cb 0.09 -0.04 -0.16 0.00 -1.82 0.00 0.00 70.33 68.40 1udu n THR 557 CO 0.00 0.00 0.00 1.51 -0.64 0.00 0.00 175.07 175.94 1udu s ASP 558 N -0.83 1.20 0.65 8.00 3.84 -1.25 -4.65 116.67 123.62 1udu s ASP 558 Ca 0.51 -0.18 0.19 0.00 -0.00 0.00 0.00 52.55 53.06 1udu s ASP 558 Cb 0.35 -0.50 0.92 0.00 -1.38 0.00 0.00 42.92 42.32 1udu s ASP 558 CO 0.21 0.00 1.50 -0.26 -0.00 0.00 0.00 175.17 176.62 1udu h PHE 559 N 6.88 0.00 -0.16 2.11 -1.00 -1.93 1.55 116.94 124.39 1udu h PHE 559 Ca -0.35 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.43 1udu h PHE 559 Cb 1.17 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.73 1udu h PHE 559 CO 0.48 0.00 0.00 0.43 -1.61 0.00 0.00 178.31 177.61 1udu n SER 560 N -2.91 2.04 -4.78 2.17 7.64 -1.26 -4.77 113.62 111.74 1udu n SER 560 Ca 0.04 -1.74 -0.36 0.00 1.01 0.00 0.00 58.87 57.82 1udu n SER 560 Cb 0.80 -0.10 -0.03 0.00 -1.01 0.00 0.00 64.21 63.87 1udu n SER 560 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 1udu s PHE 561 N -1.80 3.13 0.05 1.43 5.36 0.53 -4.90 117.98 121.78 1udu s PHE 561 Ca 0.34 1.61 0.00 0.00 -0.96 0.00 0.00 56.93 57.92 1udu s PHE 561 Cb 0.19 -3.16 -0.03 0.00 -0.34 0.00 0.00 43.02 39.68 1udu s PHE 561 CO 0.29 -0.84 -0.05 0.45 -1.46 0.00 0.00 175.22 173.62 1udu s SER 562 N -1.64 0.63 0.06 6.13 0.15 -1.26 -5.02 113.70 112.74 1udu s SER 562 Ca 0.61 -0.79 -0.15 0.00 0.70 0.00 0.00 55.95 56.33 1udu s SER 562 Cb -0.22 0.12 -0.26 0.00 -1.71 0.00 0.00 66.02 63.95 1udu s SER 562 CO 0.27 -0.42 1.13 -2.24 1.20 0.00 0.00 173.24 173.18 1udu h ASP 563 N 3.75 0.86 -0.01 5.45 3.04 -1.94 -3.40 116.42 124.18 1udu h ASP 563 Ca -0.34 -0.79 0.00 0.00 -3.24 0.00 0.00 57.03 52.66 1udu h ASP 563 Cb 1.18 -0.27 -0.00 0.00 -1.04 0.00 0.00 39.33 39.20 1udu h ASP 563 CO 0.54 1.55 0.00 0.33 -2.04 0.00 0.00 179.24 179.62 1udu n PHE 564 N -3.86 0.01 0.14 4.15 7.35 -1.26 -1.21 117.46 122.77 1udu n PHE 564 Ca -0.12 0.01 -0.23 0.00 -0.76 0.00 0.00 57.45 56.35 1udu n PHE 564 Cb 0.92 -0.51 -0.16 0.00 0.35 0.00 0.00 39.48 40.08 1udu n PHE 564 CO 0.00 0.00 0.00 0.93 -0.76 0.00 0.00 176.76 176.93 1udu h GLU 565 N 0.00 0.49 -6.17 -4.13 4.39 -2.05 -3.47 114.58 103.64 1udu h GLU 565 Ca 0.01 -0.84 -0.58 0.00 0.34 0.00 0.00 59.36 58.29 1udu h GLU 565 Cb 0.01 0.31 -0.04 0.00 -0.10 0.00 0.00 28.75 28.93 1udu h GLU 565 CO -0.01 1.40 -0.15 -0.48 -1.16 0.00 0.00 179.01 178.61 1udu s LEU 566 N -7.49 4.41 0.83 1.33 2.34 -0.35 -5.09 118.68 114.66 1udu s LEU 566 Ca -0.09 1.01 -0.11 0.00 0.06 0.00 0.00 54.13 55.01 1udu s LEU 566 Cb 0.05 -2.95 0.09 0.00 -0.56 0.00 0.00 46.19 42.82 1udu s LEU 566 CO 0.93 0.21 1.10 -0.94 -1.06 0.00 0.00 176.35 176.59 1udu s SER 567 N -1.45 3.94 0.10 1.48 1.04 -1.26 -4.75 113.70 112.80 1udu s SER 567 Ca 0.31 1.86 -0.33 0.00 0.48 0.00 0.00 55.95 58.27 1udu s SER 567 Cb -0.16 -2.49 -0.14 0.00 0.10 0.00 0.00 66.02 63.33 1udu s SER 567 CO 0.17 -2.40 1.54 0.44 0.98 0.00 0.00 173.24 173.97 1udu h ASP 568 N -1.38 -1.58 -0.45 7.02 3.45 -1.98 -0.59 116.42 120.91 1udu h ASP 568 Ca -0.44 0.17 0.10 0.00 0.43 0.00 0.00 57.03 57.29 1udu h ASP 568 Cb 1.25 0.59 -0.08 0.00 -0.56 0.00 0.00 39.33 40.52 1udu h ASP 568 CO 0.49 -0.53 -0.08 -0.11 -1.57 0.00 0.00 179.24 177.45 1udu n LEU 569 N -5.37 -0.13 -0.15 1.55 7.94 -1.26 0.41 117.00 119.99 1udu n LEU 569 Ca -0.08 0.77 -0.11 0.00 -1.11 0.00 0.00 56.01 55.48 1udu n LEU 569 Cb 0.39 -0.25 -0.01 0.00 0.53 0.00 0.00 43.42 44.09 1udu n LEU 569 CO 0.14 -0.75 0.69 -0.33 -1.11 0.00 0.00 177.39 176.03 1udu h GLU 570 N 0.00 0.91 0.00 1.96 5.08 -1.49 -2.06 114.58 118.98 1udu h GLU 570 Ca 0.23 -0.38 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 1udu h GLU 570 Cb 0.39 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1udu h GLU 570 CO -0.45 1.03 0.00 0.25 -1.00 0.00 0.00 179.01 178.84 1udu n THR 571 N -4.20 0.00 -0.11 1.13 -2.24 1.39 -0.27 114.28 109.98 1udu n THR 571 Ca -0.00 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.63 1udu n THR 571 Cb 0.42 -0.89 -0.10 0.00 -2.10 0.00 0.00 70.33 67.66 1udu n THR 571 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1udu n ALA 572 N -0.92 1.55 -0.24 6.98 0.00 -0.79 -3.45 120.51 123.64 1udu n ALA 572 Ca 0.01 -0.90 -0.07 0.00 0.00 0.00 0.00 53.44 52.48 1udu n ALA 572 Cb 0.01 0.02 0.04 0.00 0.00 0.00 0.00 19.45 19.52 1udu n ALA 572 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1udu h LEU 573 N -0.03 0.96 0.22 0.00 3.38 -0.44 0.40 115.31 119.80 1udu h LEU 573 Ca -0.47 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.28 1udu h LEU 573 Cb 1.72 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 42.22 1udu h LEU 573 CO -0.08 0.91 -0.10 0.00 0.09 0.00 0.00 178.44 179.25 1udu h THR 575 N -0.29 0.13 -0.68 0.00 2.02 -1.55 2.12 112.91 114.66 1udu h THR 575 Ca -0.03 -0.04 -0.04 0.00 0.77 0.00 0.00 66.41 67.07 1udu h THR 575 Cb 0.22 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.60 1udu h THR 575 CO 0.05 0.02 0.26 0.40 0.37 0.00 0.00 175.52 176.62 1udu h ILE 576 N 0.12 1.24 -0.16 3.11 2.04 0.06 -1.69 117.51 122.23 1udu h ILE 576 Ca 0.73 -0.78 -0.00 0.00 1.00 0.00 0.00 64.86 65.81 1udu h ILE 576 Cb 1.73 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 38.29 1udu h ILE 576 CO -0.74 0.31 0.09 -0.09 0.00 0.00 0.00 178.15 177.72 1udu h ARG 577 N 0.96 0.22 -0.78 2.37 9.65 0.64 -1.30 114.38 126.14 1udu h ARG 577 Ca 0.22 -0.02 0.15 0.00 -1.10 0.00 0.00 59.98 59.23 1udu h ARG 577 Cb 0.22 -0.05 -0.15 0.00 -1.39 0.00 0.00 29.97 28.61 1udu h ARG 577 CO -0.02 0.20 -0.24 0.52 2.80 0.00 0.00 179.97 183.24 1udu h MET 578 N 0.18 -0.03 0.37 0.20 2.86 0.66 0.93 114.93 120.10 1udu h MET 578 Ca 0.06 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.68 1udu h MET 578 Cb 0.04 0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.71 1udu h MET 578 CO -0.01 -0.02 -0.18 0.74 1.06 0.00 0.00 176.91 178.50 1udu h PHE 579 N -0.03 -0.46 0.03 -0.22 -1.00 -1.09 -2.60 116.94 111.57 1udu h PHE 579 Ca 0.35 -0.01 0.01 0.00 2.81 0.00 0.00 57.97 61.13 1udu h PHE 579 Cb 0.58 0.15 -0.02 0.00 3.61 0.00 0.00 35.95 40.27 1udu h PHE 579 CO -0.65 -0.23 -0.26 1.15 -1.61 0.00 0.00 178.31 176.71 1udu h THR 580 N -0.59 0.00 0.00 -1.55 2.02 0.85 0.17 112.91 113.81 1udu h THR 580 Ca -0.05 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.13 1udu h THR 580 Cb 0.44 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.85 1udu h THR 580 CO 0.08 0.00 0.00 0.47 0.37 0.00 0.00 175.52 176.44 1udu n ASP 581 N -3.90 0.00 -0.17 4.18 10.43 0.28 -0.98 116.55 126.39 1udu n ASP 581 Ca -0.04 -0.61 0.05 0.00 2.57 0.00 0.00 54.79 56.76 1udu n ASP 581 Cb 0.19 0.00 -0.01 0.00 1.84 0.00 0.00 41.12 43.14 1udu n ASP 581 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 1udu n LEU 582 N -0.55 1.03 -0.15 0.64 4.77 0.52 -5.01 117.00 118.25 1udu n LEU 582 Ca 0.01 -0.72 -0.02 0.00 -0.03 0.00 0.00 56.01 55.25 1udu n LEU 582 Cb 0.00 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.09 1udu n LEU 582 CO 0.01 0.21 -0.02 0.59 -1.33 0.00 0.00 177.39 176.85 1udu n ASN 583 N -0.44 -3.41 0.08 -1.43 5.03 -0.15 -4.94 115.26 110.00 1udu n ASN 583 Ca 0.03 0.05 -0.18 0.00 0.87 0.00 0.00 54.58 55.35 1udu n ASN 583 Cb 0.19 -1.08 -0.10 0.00 -1.02 0.00 0.00 39.78 37.76 1udu n ASN 583 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.26 175.36 1udu h LEU 584 N 0.00 0.71 -0.47 3.41 3.38 -1.71 -2.90 115.31 117.73 1udu h LEU 584 Ca -0.04 -0.62 -0.17 0.00 0.09 0.00 0.00 57.88 57.14 1udu h LEU 584 Cb 0.19 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1udu h LEU 584 CO 0.06 1.44 -0.69 0.58 0.09 0.00 0.00 178.44 179.92 1udu h VAL 585 N 0.25 1.38 0.08 1.22 2.07 -1.86 -2.87 116.25 116.52 1udu h VAL 585 Ca -0.14 -2.10 -0.20 0.00 0.82 0.00 0.00 66.70 65.09 1udu h VAL 585 Cb 1.78 2.07 0.02 0.00 -1.52 0.00 0.00 31.29 33.64 1udu h VAL 585 CO 0.20 0.63 -0.82 -0.61 0.02 0.00 0.00 177.57 176.99 1udu h GLN 586 N 0.25 0.41 0.27 1.57 5.75 -1.92 -0.42 115.11 121.02 1udu h GLN 586 Ca -0.02 -0.55 -0.01 0.00 -0.15 0.00 0.00 58.65 57.91 1udu h GLN 586 Cb 1.24 0.18 0.00 0.00 1.07 0.00 0.00 27.48 29.98 1udu h GLN 586 CO 0.12 1.22 -0.13 -0.91 -2.65 0.00 0.00 178.83 176.47 1udu h ASN 587 N -0.13 -0.30 -0.53 -0.69 2.35 -1.64 -3.24 115.58 111.40 1udu h ASN 587 Ca -0.13 -0.23 -0.24 0.00 -0.55 0.00 0.00 56.30 55.16 1udu h ASN 587 Cb 1.57 0.08 -0.14 0.00 0.05 0.00 0.00 38.32 39.87 1udu h ASN 587 CO 0.16 0.16 0.30 0.49 -1.65 0.00 0.00 177.43 176.89 1udu n PHE 588 N -5.05 1.67 -2.27 1.19 0.99 -1.08 -4.93 117.46 107.98 1udu n PHE 588 Ca -0.08 -1.11 0.00 0.00 -0.00 0.00 0.00 57.45 56.26 1udu n PHE 588 Cb 0.26 -0.59 0.00 0.00 -1.00 0.00 0.00 39.48 38.15 1udu n PHE 588 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 1udu n GLN 589 N -0.29 -0.60 -2.10 -1.08 6.02 -0.59 -4.75 117.38 114.00 1udu n GLN 589 Ca 0.31 -0.30 -0.42 0.00 -0.01 0.00 0.00 57.00 56.58 1udu n GLN 589 Cb 1.11 0.54 -0.03 0.00 1.02 0.00 0.00 30.24 32.88 1udu n GLN 589 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 1udu s MET 590 N -2.96 4.27 0.14 -1.09 -1.94 -0.27 -4.94 119.30 112.52 1udu s MET 590 Ca 0.00 2.14 -0.31 0.00 -1.71 0.00 0.00 55.69 55.81 1udu s MET 590 Cb 0.00 -3.42 -0.11 0.00 2.01 0.00 0.00 34.83 33.31 1udu s MET 590 CO 0.00 -0.57 1.82 1.17 -0.01 0.00 0.00 175.02 177.43 1udu n LYS 591 N 4.79 2.83 -0.03 2.03 0.00 -1.26 -4.88 118.16 121.63 1udu n LYS 591 Ca 0.13 1.03 -0.04 0.00 0.00 0.00 0.00 58.31 59.43 1udu n LYS 591 Cb 0.42 -2.92 -0.03 0.00 0.00 0.00 0.00 35.03 32.50 1udu n LYS 591 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 1udu h HIS 592 N 8.25 -0.52 -0.24 5.64 -0.00 -1.97 -0.74 115.15 125.56 1udu h HIS 592 Ca -0.46 0.02 0.07 0.00 -0.00 0.00 0.00 60.37 60.01 1udu h HIS 592 Cb 1.22 0.24 -0.01 0.00 -0.00 0.00 0.00 27.41 28.86 1udu h HIS 592 CO 0.76 -0.16 0.66 1.49 -0.00 0.00 0.00 177.93 180.68 1udu h GLU 593 N -0.14 0.00 0.00 5.26 4.81 -1.94 -1.40 114.58 121.16 1udu h GLU 593 Ca 0.02 0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 58.93 1udu h GLU 593 Cb 0.19 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.52 1udu h GLU 593 CO -0.17 0.00 -1.97 0.28 -0.73 0.00 0.00 179.01 176.42 1udu n VAL 594 N -3.01 1.51 -0.17 0.32 0.31 -0.37 -2.00 118.33 114.92 1udu n VAL 594 Ca 0.04 -0.82 -0.01 0.00 -0.01 0.00 0.00 64.34 63.54 1udu n VAL 594 Cb 0.76 -0.81 0.23 0.00 -0.91 0.00 0.00 33.84 33.12 1udu n VAL 594 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 1udu h LEU 595 N 0.00 0.81 -0.11 7.52 6.46 -0.33 1.05 115.31 130.71 1udu h LEU 595 Ca -0.39 -0.07 -0.22 0.00 -0.12 0.00 0.00 57.88 57.08 1udu h LEU 595 Cb 2.10 -0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 41.81 1udu h LEU 595 CO 0.06 0.67 -1.01 0.00 -0.62 0.00 0.00 178.44 177.55 1udu h ARG 597 N 0.09 0.56 0.00 0.00 2.43 -0.79 -2.02 114.38 114.64 1udu h ARG 597 Ca -0.07 -0.45 0.00 0.00 -0.81 0.00 0.00 59.98 58.65 1udu h ARG 597 Cb 1.69 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 31.33 1udu h ARG 597 CO 0.16 1.08 0.00 1.87 -1.51 0.00 0.00 179.97 181.56 1udu n TRP 598 N -3.88 0.00 -0.09 2.20 -0.00 0.36 -2.13 117.44 113.90 1udu n TRP 598 Ca -0.05 0.00 -0.02 0.00 -0.00 0.00 0.00 57.50 57.43 1udu n TRP 598 Cb 0.72 0.00 -0.01 0.00 -0.00 0.00 0.00 31.31 32.02 1udu n TRP 598 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 177.69 176.80 1udu n ILE 599 N -0.28 -0.14 -0.11 5.87 5.41 0.76 0.19 119.36 131.06 1udu n ILE 599 Ca 0.00 0.53 -0.05 0.00 1.00 0.00 0.00 62.75 64.23 1udu n ILE 599 Cb 0.00 -0.67 0.01 0.00 -0.71 0.00 0.00 39.64 38.27 1udu n ILE 599 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1udu h LEU 600 N 0.00 -0.32 0.00 1.39 3.38 -1.43 0.33 115.31 118.65 1udu h LEU 600 Ca 0.05 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1udu h LEU 600 Cb 0.11 0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1udu h LEU 600 CO -0.21 -0.11 0.00 -0.24 0.09 0.00 0.00 178.44 177.96 1udu n SER 601 N -5.28 0.00 -0.12 -0.43 2.88 0.50 0.15 113.62 111.31 1udu n SER 601 Ca 0.02 0.73 0.04 0.00 -1.33 0.00 0.00 58.87 58.32 1udu n SER 601 Cb 0.21 -0.23 0.07 0.00 -0.75 0.00 0.00 64.21 63.51 1udu n SER 601 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1udu n VAL 602 N -1.46 -0.15 0.00 2.46 0.31 -0.75 -0.70 118.33 118.04 1udu n VAL 602 Ca 0.00 0.78 0.00 0.00 -0.01 0.00 0.00 64.34 65.11 1udu n VAL 602 Cb 0.00 -1.11 0.00 0.00 -0.91 0.00 0.00 33.84 31.82 1udu n VAL 602 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1udu n LYS 603 N -4.44 0.00 -0.58 5.55 4.81 0.11 -3.34 118.16 120.27 1udu n LYS 603 Ca 0.07 0.11 0.44 0.00 -0.87 0.00 0.00 58.31 58.06 1udu n LYS 603 Cb 0.22 -0.94 0.68 0.00 0.02 0.00 0.00 35.03 35.01 1udu n LYS 603 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1udu n LYS 604 N -0.83 -0.00 -0.09 1.64 4.81 0.12 0.15 118.16 123.96 1udu n LYS 604 Ca 0.00 0.92 -0.00 0.00 -0.87 0.00 0.00 58.31 58.36 1udu n LYS 604 Cb 0.00 -2.10 0.00 0.00 0.02 0.00 0.00 35.03 32.95 1udu n LYS 604 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1udu n ASN 605 N -3.69 3.36 -4.16 3.14 5.15 0.12 -4.72 115.26 114.47 1udu n ASN 605 Ca 0.37 -2.08 -0.14 0.00 -0.60 0.00 0.00 54.58 52.13 1udu n ASN 605 Cb 1.66 -0.60 -0.11 0.00 -0.53 0.00 0.00 39.78 40.21 1udu n ASN 605 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 1udu s TYR 606 N -0.04 0.98 -0.18 1.20 1.51 0.40 -4.76 117.35 116.45 1udu s TYR 606 Ca 0.01 -0.67 -0.05 0.00 -1.01 0.00 0.00 57.07 55.35 1udu s TYR 606 Cb 0.01 -0.55 -0.03 0.00 -0.11 0.00 0.00 41.96 41.28 1udu s TYR 606 CO 0.00 -0.03 -0.01 1.03 -1.11 0.00 0.00 175.55 175.43 1udu s ARG 607 N -2.73 3.69 -0.05 -0.62 0.52 -1.26 -4.91 118.95 113.59 1udu s ARG 607 Ca 0.04 -0.49 0.05 0.00 -0.52 0.00 0.00 55.73 54.81 1udu s ARG 607 Cb -0.03 -3.03 0.24 0.00 0.52 0.00 0.00 34.95 32.65 1udu s ARG 607 CO -0.01 0.14 1.00 1.17 0.02 0.00 0.00 175.30 177.63 1udu n LYS 608 N 3.86 1.99 -0.02 3.54 4.81 -1.26 -3.45 118.16 127.63 1udu n LYS 608 Ca -0.17 -0.95 -0.17 0.00 -0.87 0.00 0.00 58.31 56.15 1udu n LYS 608 Cb 0.52 -1.54 -0.14 0.00 0.02 0.00 0.00 35.03 33.89 1udu n LYS 608 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1udu n ASN 609 N 0.20 1.67 -4.78 3.14 5.03 -1.26 -4.86 115.26 114.39 1udu n ASN 609 Ca 0.08 0.24 -0.34 0.00 0.87 0.00 0.00 54.58 55.43 1udu n ASN 609 Cb 0.42 -0.53 -0.00 0.00 -1.02 0.00 0.00 39.78 38.65 1udu n ASN 609 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1udu s VAL 610 N -2.56 3.42 -0.42 2.41 1.01 -1.22 -4.96 120.40 118.08 1udu s VAL 610 Ca -0.18 0.84 0.05 0.00 0.00 0.00 0.00 61.98 62.70 1udu s VAL 610 Cb 0.07 -3.33 0.65 0.00 0.00 0.00 0.00 36.38 33.77 1udu s VAL 610 CO 0.78 -0.23 1.84 0.00 0.00 0.00 0.00 175.10 177.48 1udu n ALA 611 N -1.37 5.33 0.05 5.51 0.00 -1.26 -4.60 120.51 124.17 1udu n ALA 611 Ca 0.11 -2.90 0.00 0.00 0.00 0.00 0.00 53.44 50.65 1udu n ALA 611 Cb 0.52 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.64 1udu n ALA 611 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1udu n TYR 612 N -1.07 -2.22 -0.47 0.00 9.36 -1.26 -3.85 117.16 117.63 1udu n TYR 612 Ca 0.54 0.35 -0.10 0.00 3.32 0.00 0.00 57.90 62.01 1udu n TYR 612 Cb 1.56 1.11 -0.04 0.00 -0.63 0.00 0.00 39.34 41.33 1udu n TYR 612 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 1udu n HIS 613 N -2.52 0.49 -4.06 2.98 8.25 -1.26 -4.02 115.22 115.07 1udu n HIS 613 Ca 0.00 -1.08 -0.24 0.00 -0.26 0.00 0.00 57.72 56.13 1udu n HIS 613 Cb 0.00 -1.13 -0.06 0.00 1.12 0.00 0.00 29.99 29.91 1udu n HIS 613 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1udu s ASN 614 N 3.20 4.50 0.33 0.41 2.20 -1.26 -4.73 114.94 119.59 1udu s ASN 614 Ca 0.28 -1.06 0.11 0.00 -0.94 0.00 0.00 52.86 51.24 1udu s ASN 614 Cb 0.10 -0.41 0.98 0.00 -2.00 0.00 0.00 41.25 39.92 1udu s ASN 614 CO -0.01 -0.60 1.65 -0.25 -2.94 0.00 0.00 177.10 174.95 1udu h TRP 615 N 1.33 0.72 0.00 1.54 -0.00 -1.84 0.67 115.95 118.37 1udu h TRP 615 Ca -0.42 0.04 0.00 0.00 -0.00 0.00 0.00 58.89 58.51 1udu h TRP 615 Cb 1.26 -0.16 0.00 0.00 -0.00 0.00 0.00 29.16 30.26 1udu h TRP 615 CO 0.66 -0.21 0.00 0.54 -0.00 0.00 0.00 178.44 179.43 1udu n ARG 616 N -5.13 0.08 -0.03 2.65 5.12 -1.26 -1.42 116.66 116.67 1udu n ARG 616 Ca 0.29 0.20 -0.21 0.00 -1.93 0.00 0.00 57.85 56.19 1udu n ARG 616 Cb 0.91 -1.50 -0.13 0.00 -1.16 0.00 0.00 32.46 30.57 1udu n ARG 616 CO 0.00 0.00 0.00 1.58 -1.93 0.00 0.00 177.63 177.28 1udu n HIS 617 N -1.23 1.03 0.11 -1.55 -0.00 0.23 -3.23 115.22 110.59 1udu n HIS 617 Ca 0.02 0.24 -0.13 0.00 0.46 0.00 0.00 57.72 58.31 1udu n HIS 617 Cb 0.03 -1.13 -0.08 0.00 -0.12 0.00 0.00 29.99 28.69 1udu n HIS 617 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1udu h ALA 618 N -0.03 -0.23 -0.22 1.57 0.00 -1.26 -1.38 119.26 117.71 1udu h ALA 618 Ca -0.45 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 54.43 1udu h ALA 618 Cb 1.93 0.09 -0.07 0.00 0.00 0.00 0.00 17.79 19.73 1udu h ALA 618 CO 0.02 -0.58 -0.34 0.35 0.00 0.00 0.00 179.25 178.70 1udu h PHE 619 N -0.34 -0.95 0.00 0.00 3.57 -1.55 0.32 116.94 117.98 1udu h PHE 619 Ca -0.02 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1udu h PHE 619 Cb 0.26 0.45 0.00 0.00 2.79 0.00 0.00 35.95 39.46 1udu h PHE 619 CO -0.03 -0.41 0.00 0.09 -2.23 0.00 0.00 178.31 175.73 1udu n ASN 620 N -5.42 0.00 -0.01 0.41 5.03 -1.12 -0.27 115.26 113.88 1udu n ASN 620 Ca -0.02 0.15 0.05 0.00 0.87 0.00 0.00 54.58 55.62 1udu n ASN 620 Cb 0.34 -0.26 -0.10 0.00 -1.02 0.00 0.00 39.78 38.74 1udu n ASN 620 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.26 175.84 1udu n THR 621 N -1.26 0.10 0.03 3.41 -1.04 0.61 -3.38 114.28 112.75 1udu n THR 621 Ca 0.04 -0.31 -0.19 0.00 -2.04 0.00 0.00 64.05 61.54 1udu n THR 621 Cb 0.06 0.10 -0.12 0.00 -1.82 0.00 0.00 70.33 68.54 1udu n THR 621 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1udu h ALA 622 N 1.07 0.02 -2.26 2.41 0.00 0.80 -2.59 119.26 118.71 1udu h ALA 622 Ca -0.04 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.23 1udu h ALA 622 Cb 0.72 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1udu h ALA 622 CO 0.00 0.42 0.00 0.94 0.00 0.00 0.00 179.25 180.62 1udu n GLN 623 N -4.11 0.00 0.17 0.00 0.00 0.63 0.88 117.38 114.95 1udu n GLN 623 Ca -0.12 0.24 0.02 0.00 -0.00 0.00 0.00 57.00 57.14 1udu n GLN 623 Cb 0.77 -1.12 0.09 0.00 0.00 0.00 0.00 30.24 29.98 1udu n GLN 623 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1udu h MET 625 N 0.00 0.10 0.00 0.00 1.85 -0.74 -3.24 114.93 112.91 1udu h MET 625 Ca 0.00 -0.18 0.00 0.00 -0.61 0.00 0.00 59.70 58.91 1udu h MET 625 Cb 1.28 0.07 0.00 0.00 0.43 0.00 0.00 31.60 33.38 1udu h MET 625 CO 0.00 1.08 0.00 0.35 -0.40 0.00 0.00 176.91 177.94 1udu h PHE 626 N -0.72 0.00 0.00 1.39 3.57 1.19 -3.02 116.94 119.35 1udu h PHE 626 Ca -0.22 0.00 -0.32 0.00 3.53 0.00 0.00 57.97 60.96 1udu h PHE 626 Cb 1.40 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 40.08 1udu h PHE 626 CO 0.16 0.00 -2.21 0.00 -2.23 0.00 0.00 178.31 174.04 1udu n ALA 627 N -1.96 1.56 0.83 2.41 0.00 -0.80 -3.36 120.51 119.20 1udu n ALA 627 Ca -0.02 -1.14 0.11 0.00 0.00 0.00 0.00 53.44 52.40 1udu n ALA 627 Cb 0.11 -0.11 0.51 0.00 0.00 0.00 0.00 19.45 19.95 1udu n ALA 627 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1udu n ALA 628 N -2.69 2.08 -0.08 0.00 0.00 -1.21 -1.77 120.51 116.84 1udu n ALA 628 Ca -0.29 -0.08 -0.16 0.00 0.00 0.00 0.00 53.44 52.90 1udu n ALA 628 Cb 1.06 -1.38 -0.12 0.00 0.00 0.00 0.00 19.45 19.01 1udu n ALA 628 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1udu h LEU 629 N 0.00 0.00 0.00 0.00 5.85 -1.67 -3.13 115.31 116.36 1udu h LEU 629 Ca 0.00 -0.73 0.00 0.00 0.84 0.00 0.00 57.88 57.99 1udu h LEU 629 Cb 0.39 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.42 1udu h LEU 629 CO 0.00 1.17 0.00 0.29 -0.34 0.00 0.00 178.44 179.56 1udu n LYS 630 N -4.54 0.00 0.00 1.25 4.76 -1.14 0.11 118.16 118.59 1udu n LYS 630 Ca -0.19 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.25 1udu n LYS 630 Cb 0.54 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.73 1udu n LYS 630 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1udu n ALA 631 N -3.00 0.00 0.08 7.82 0.00 -0.79 0.27 120.51 124.89 1udu n ALA 631 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 1udu n ALA 631 Cb 0.00 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.51 1udu n ALA 631 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1udu n GLY 632 N -0.49 1.12 3.13 0.00 0.00 -0.73 -4.63 105.19 103.60 1udu n GLY 632 Ca 0.00 -0.21 -0.18 0.00 0.00 0.00 0.00 46.02 45.63 1udu n GLY 632 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1udu n LYS 633 N 0.24 -2.79 -0.06 1.61 4.76 0.77 -4.27 118.16 118.41 1udu n LYS 633 Ca 0.06 0.36 -0.12 0.00 -2.87 0.00 0.00 58.31 55.73 1udu n LYS 633 Cb 0.27 -4.98 -0.14 0.00 -1.84 0.00 0.00 35.03 28.33 1udu n LYS 633 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 1udu n ILE 634 N -3.53 1.54 -0.28 -0.18 2.08 -0.93 -4.36 119.36 113.69 1udu n ILE 634 Ca -0.02 -0.76 0.09 0.00 0.56 0.00 0.00 62.75 62.61 1udu n ILE 634 Cb 0.53 -0.99 0.24 0.00 -0.75 0.00 0.00 39.64 38.67 1udu n ILE 634 CO 0.00 0.00 0.00 -0.61 0.56 0.00 0.00 176.55 176.50 1udu h GLN 635 N 0.01 0.45 0.00 0.38 4.15 0.52 0.12 115.11 120.74 1udu h GLN 635 Ca -0.45 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 58.95 1udu h GLN 635 Cb 2.08 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 29.67 1udu h GLN 635 CO 0.04 0.30 0.00 0.27 -1.93 0.00 0.00 178.83 177.50 1udu n ASN 636 N -5.00 0.00 -0.35 -0.69 2.04 -1.26 -1.31 115.26 108.69 1udu n ASN 636 Ca 0.18 0.00 0.04 0.00 -0.44 0.00 0.00 54.58 54.36 1udu n ASN 636 Cb 0.51 0.00 0.05 0.00 -2.53 0.00 0.00 39.78 37.81 1udu n ASN 636 CO 0.00 0.00 0.00 0.29 -0.44 0.00 0.00 177.26 177.11 1udu n LYS 637 N -0.91 0.81 -4.36 -3.83 5.02 0.43 -5.04 118.16 110.28 1udu n LYS 637 Ca 0.00 -1.21 -0.19 0.00 -2.02 0.00 0.00 58.31 54.89 1udu n LYS 637 Cb 0.00 -1.16 -0.10 0.00 -0.02 0.00 0.00 35.03 33.75 1udu n LYS 637 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1udu s LEU 638 N -0.75 2.55 0.00 -0.35 1.43 -0.43 -5.06 118.68 116.07 1udu s LEU 638 Ca 0.11 -1.04 -0.17 0.00 -1.03 0.00 0.00 54.13 52.00 1udu s LEU 638 Cb 0.07 -0.69 0.23 0.00 0.03 0.00 0.00 46.19 45.83 1udu s LEU 638 CO 0.10 -0.18 1.21 0.35 0.23 0.00 0.00 176.35 178.06 1udu n THR 639 N -0.42 0.00 0.16 5.49 -2.24 -1.26 -4.94 114.28 111.06 1udu n THR 639 Ca -0.07 -0.82 0.06 0.00 -2.27 0.00 0.00 64.05 60.95 1udu n THR 639 Cb 0.61 -1.46 0.07 0.00 -2.10 0.00 0.00 70.33 67.44 1udu n THR 639 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1udu h ASP 640 N -1.89 0.00 0.20 3.42 3.45 -1.99 -3.16 116.42 116.45 1udu h ASP 640 Ca -0.40 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.05 1udu h ASP 640 Cb 1.14 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.91 1udu h ASP 640 CO 0.28 0.30 -0.10 -0.07 -1.57 0.00 0.00 179.24 178.09 1udu h LEU 641 N 0.00 -0.23 0.00 1.55 3.38 -2.00 -2.93 115.31 115.08 1udu h LEU 641 Ca -0.01 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1udu h LEU 641 Cb 1.24 0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.05 1udu h LEU 641 CO 0.04 -0.08 0.16 -0.62 0.09 0.00 0.00 178.44 178.03 1udu n GLU 642 N -3.19 0.00 -0.00 1.13 1.02 -1.25 0.96 120.64 119.31 1udu n GLU 642 Ca -0.03 0.25 0.00 0.00 -0.02 0.00 0.00 57.16 57.36 1udu n GLU 642 Cb 0.11 -1.66 -0.11 0.00 -0.02 0.00 0.00 31.44 29.75 1udu n GLU 642 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1udu n ILE 643 N -1.22 0.99 0.10 -3.67 5.41 -1.18 -2.89 119.36 116.90 1udu n ILE 643 Ca 0.00 -0.69 -0.21 0.00 1.00 0.00 0.00 62.75 62.86 1udu n ILE 643 Cb 0.16 -0.52 -0.15 0.00 -0.71 0.00 0.00 39.64 38.42 1udu n ILE 643 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 176.55 176.80 1udu h LEU 644 N 0.00 0.60 0.55 1.39 5.85 0.79 -2.68 115.31 121.80 1udu h LEU 644 Ca -0.21 -0.73 -0.02 0.00 0.84 0.00 0.00 57.88 57.76 1udu h LEU 644 Cb 1.60 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.42 1udu h LEU 644 CO 0.03 1.59 -0.43 0.00 -0.34 0.00 0.00 178.44 179.29 1udu h ALA 645 N 0.32 -1.01 -0.74 1.25 0.00 -1.39 0.11 119.26 117.81 1udu h ALA 645 Ca -0.25 -0.18 0.11 0.00 0.00 0.00 0.00 54.91 54.59 1udu h ALA 645 Cb 2.08 0.57 -0.05 0.00 0.00 0.00 0.00 17.79 20.39 1udu h ALA 645 CO 0.21 -1.10 0.49 -0.07 0.00 0.00 0.00 179.25 178.78 1udu h LEU 646 N -0.96 0.54 0.30 0.00 -0.00 -1.60 2.53 115.31 116.13 1udu h LEU 646 Ca -0.06 0.02 -0.01 0.00 -0.00 0.00 0.00 57.88 57.82 1udu h LEU 646 Cb 0.81 -0.09 0.00 0.00 -0.00 0.00 0.00 40.66 41.38 1udu h LEU 646 CO 0.01 0.31 -0.15 0.25 -0.00 0.00 0.00 178.44 178.87 1udu h LEU 647 N 0.59 -0.34 -0.34 1.67 6.46 -1.16 0.11 115.31 122.31 1udu h LEU 647 Ca 0.35 0.01 0.08 0.00 -0.12 0.00 0.00 57.88 58.20 1udu h LEU 647 Cb 0.55 0.09 -0.08 0.00 -0.73 0.00 0.00 40.66 40.49 1udu h LEU 647 CO -0.12 0.06 -0.21 0.40 -0.62 0.00 0.00 178.44 177.95 1udu h ILE 648 N -1.02 0.42 0.00 4.05 2.04 -0.52 -1.86 117.51 120.62 1udu h ILE 648 Ca -0.04 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.82 1udu h ILE 648 Cb 0.31 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 36.81 1udu h ILE 648 CO 0.07 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.22 1udu n ALA 649 N -2.83 -0.17 -0.40 1.87 0.00 0.85 -3.04 120.51 116.78 1udu n ALA 649 Ca 0.01 0.00 0.32 0.00 0.00 0.00 0.00 53.44 53.77 1udu n ALA 649 Cb 0.28 0.08 0.52 0.00 0.00 0.00 0.00 19.45 20.32 1udu n ALA 649 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1udu n ALA 650 N -1.31 1.12 0.26 0.00 0.00 0.40 0.12 120.51 121.10 1udu n ALA 650 Ca 0.00 0.53 -0.04 0.00 0.00 0.00 0.00 53.44 53.93 1udu n ALA 650 Cb 0.00 -0.76 0.09 0.00 0.00 0.00 0.00 19.45 18.78 1udu n ALA 650 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1udu n LEU 651 N -3.73 3.71 0.00 0.00 4.77 -0.72 -3.72 117.00 117.32 1udu n LEU 651 Ca 0.29 -1.91 0.00 0.00 -0.03 0.00 0.00 56.01 54.36 1udu n LEU 651 Cb 1.23 -0.60 0.00 0.00 -2.33 0.00 0.00 43.42 41.72 1udu n LEU 651 CO 0.21 0.58 0.00 -1.20 -1.33 0.00 0.00 177.39 175.65 1udu n SER 652 N 0.03 0.00 0.20 -1.43 7.64 0.32 -4.92 113.62 115.47 1udu n SER 652 Ca 0.17 -1.00 0.16 0.00 1.01 0.00 0.00 58.87 59.21 1udu n SER 652 Cb 0.79 0.00 0.63 0.00 -1.01 0.00 0.00 64.21 64.62 1udu n SER 652 CO 0.00 0.00 0.00 1.12 -3.01 0.00 0.00 175.04 173.15 1udu h HIS 653 N 0.00 0.00 -0.40 1.43 2.07 -1.60 -1.49 115.15 115.16 1udu h HIS 653 Ca 0.00 0.00 -0.24 0.00 -2.85 0.00 0.00 60.37 57.28 1udu h HIS 653 Cb 0.62 0.00 -0.40 0.00 2.57 0.00 0.00 27.41 30.20 1udu h HIS 653 CO 0.00 0.00 -1.11 -0.25 -3.07 0.00 0.00 177.93 173.50 1udu n ASP 654 N -3.11 1.50 -0.31 3.10 8.00 -1.26 -4.85 116.55 119.62 1udu n ASP 654 Ca 0.04 -2.02 0.17 0.00 0.71 0.00 0.00 54.79 53.69 1udu n ASP 654 Cb 0.68 -0.46 0.33 0.00 -0.02 0.00 0.00 41.12 41.65 1udu n ASP 654 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1udu n LEU 655 N -0.53 -0.02 -3.17 0.64 4.77 -0.56 -3.10 117.00 115.04 1udu n LEU 655 Ca 0.07 1.56 -0.24 0.00 -0.03 0.00 0.00 56.01 57.37 1udu n LEU 655 Cb 0.83 -0.61 -0.05 0.00 -2.33 0.00 0.00 43.42 41.26 1udu n LEU 655 CO 0.06 -1.62 -0.08 -0.67 -1.33 0.00 0.00 177.39 173.76 1udu n ASP 656 N -5.30 2.32 -4.81 -1.43 2.03 -1.26 -4.67 116.55 103.42 1udu n ASP 656 Ca 0.25 -3.22 -0.33 0.00 0.52 0.00 0.00 54.79 52.00 1udu n ASP 656 Cb 0.81 -0.62 -0.01 0.00 -0.72 0.00 0.00 41.12 40.58 1udu n ASP 656 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 1udu s HIS 657 N -2.46 3.05 0.00 -0.67 2.46 -1.18 -4.96 115.29 111.53 1udu s HIS 657 Ca 0.41 1.53 0.00 0.00 0.47 0.00 0.00 55.06 57.48 1udu s HIS 657 Cb 0.25 -3.00 0.00 0.00 -0.13 0.00 0.00 32.58 29.70 1udu s HIS 657 CO -0.09 -0.90 0.00 0.54 -2.47 0.00 0.00 174.74 171.82 1udu n ARG 658 N -1.55 4.14 0.00 2.88 3.00 -1.26 -4.87 116.66 119.00 1udu n ARG 658 Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.93 1udu n ARG 658 Cb 0.53 -0.46 0.00 0.00 0.00 0.00 0.00 32.46 32.53 1udu n ARG 658 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1udu n GLY 659 N 0.93 1.63 2.96 -0.13 0.00 -1.26 -4.91 105.19 104.39 1udu n GLY 659 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1udu n GLY 659 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1udu s VAL 660 N -2.00 2.26 0.00 1.61 1.01 -1.26 -4.77 120.40 117.24 1udu s VAL 660 Ca 0.00 -2.67 0.00 0.00 0.00 0.00 0.00 61.98 59.31 1udu s VAL 660 Cb 0.00 -2.62 0.00 0.00 0.00 0.00 0.00 36.38 33.76 1udu s VAL 660 CO 0.00 -0.70 0.00 0.59 0.00 0.00 0.00 175.10 174.99 1udu n ASN 661 N 3.81 1.60 0.00 3.32 3.02 -1.26 -5.09 115.26 120.66 1udu n ASN 661 Ca 0.04 -0.74 0.00 0.00 -0.03 0.00 0.00 54.58 53.85 1udu n ASN 661 Cb 0.38 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.55 1udu n ASN 661 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1udu n ASN 662 N -1.05 0.00 0.00 6.41 5.03 -1.26 -5.08 115.26 119.32 1udu n ASN 662 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 1udu n ASN 662 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 1udu n ASN 662 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 1udu n SER 663 N 0.00 0.00 0.00 6.41 3.41 -1.26 -5.08 113.62 117.10 1udu n SER 663 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1udu n SER 663 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1udu n SER 663 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1udu n TYR 664 N 0.00 0.00 -5.13 7.33 4.02 -1.26 -5.19 117.16 116.93 1udu n TYR 664 Ca 0.00 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.57 1udu n TYR 664 Cb 0.00 0.00 -0.16 0.00 -0.02 0.00 0.00 39.34 39.16 1udu n TYR 664 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 176.86 175.38 1udu s TYR 676 N 2.09 2.61 0.00 -0.72 5.04 -1.26 -5.03 117.35 120.08 1udu s TYR 676 Ca 0.00 -0.95 0.00 0.00 -2.44 0.00 0.00 57.07 53.68 1udu s TYR 676 Cb 0.00 -1.73 0.00 0.00 0.35 0.00 0.00 41.96 40.58 1udu s TYR 676 CO 0.00 -0.37 0.46 0.00 -1.34 0.00 0.00 175.55 174.30 1udu n HIS 678 N -0.01 0.00 -2.42 0.00 -0.00 -1.26 -3.85 115.22 107.68 1udu n HIS 678 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 57.72 57.66 1udu n HIS 678 Cb 0.03 -0.84 0.03 0.00 -0.00 0.00 0.00 29.99 29.22 1udu n HIS 678 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77 1udu n SER 679 N -0.06 -2.41 0.16 0.41 7.64 -1.26 -5.00 113.62 113.11 1udu n SER 679 Ca -0.02 -0.23 -0.07 0.00 1.01 0.00 0.00 58.87 59.56 1udu n SER 679 Cb 0.18 -2.16 -0.04 0.00 -1.01 0.00 0.00 64.21 61.18 1udu n SER 679 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1udu h ILE 680 N -0.61 0.00 -1.24 0.44 1.08 -2.01 -2.70 117.51 112.47 1udu h ILE 680 Ca -0.21 -0.57 0.36 0.00 -0.39 0.00 0.00 64.86 64.05 1udu h ILE 680 Cb 1.12 0.00 -0.07 0.00 -3.07 0.00 0.00 36.82 34.80 1udu h ILE 680 CO 0.17 0.00 0.87 -0.03 -0.69 0.00 0.00 178.15 178.47 1udu h MET 681 N -1.06 0.08 -0.02 2.37 4.05 -1.95 0.48 114.93 118.89 1udu h MET 681 Ca -0.05 -0.00 -0.13 0.00 -0.28 0.00 0.00 59.70 59.23 1udu h MET 681 Cb 0.37 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 31.14 1udu h MET 681 CO 0.08 0.05 -0.60 0.93 0.23 0.00 0.00 176.91 177.60 1udu h GLU 682 N 0.08 0.08 0.00 0.39 4.39 -1.90 -2.59 114.58 115.03 1udu h GLU 682 Ca 0.62 -0.05 -0.14 0.00 0.34 0.00 0.00 59.36 60.13 1udu h GLU 682 Cb 2.27 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 30.91 1udu h GLU 682 CO -0.09 0.65 -0.66 0.45 -1.16 0.00 0.00 179.01 178.20 1udu h HIS 683 N 0.06 0.00 0.00 4.33 3.86 0.28 0.13 115.15 123.80 1udu h HIS 683 Ca -0.01 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.17 1udu h HIS 683 Cb 1.08 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.54 1udu h HIS 683 CO 0.01 0.66 -0.15 1.25 0.86 0.00 0.00 177.93 180.56 1udu h HIS 684 N 0.00 0.00 0.00 2.45 -0.00 -1.26 0.76 115.15 117.10 1udu h HIS 684 Ca -0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.35 1udu h HIS 684 Cb 1.41 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 28.82 1udu h HIS 684 CO 0.00 0.15 -0.08 0.45 -0.00 0.00 0.00 177.93 178.45 1udu h HIS 685 N 0.00 0.00 0.17 5.26 -0.00 -1.21 -2.81 115.15 116.56 1udu h HIS 685 Ca -0.00 0.00 0.01 0.00 -0.00 0.00 0.00 60.37 60.38 1udu h HIS 685 Cb 0.67 0.00 -0.03 0.00 -0.00 0.00 0.00 27.41 28.06 1udu h HIS 685 CO 0.00 0.47 -0.25 0.35 -0.00 0.00 0.00 177.93 178.50 1udu h PHE 686 N -1.00 -0.67 -0.44 2.45 3.57 -0.73 1.67 116.94 121.78 1udu h PHE 686 Ca -0.02 0.01 0.13 0.00 3.53 0.00 0.00 57.97 61.62 1udu h PHE 686 Cb 0.49 0.27 -0.02 0.00 2.79 0.00 0.00 35.95 39.49 1udu h PHE 686 CO 0.11 -0.36 0.51 -0.44 -2.23 0.00 0.00 178.31 175.90 1udu h ASP 687 N -0.49 0.00 0.39 0.41 5.19 0.38 1.51 116.42 123.82 1udu h ASP 687 Ca 0.02 0.00 -0.31 0.00 -0.62 0.00 0.00 57.03 56.11 1udu h ASP 687 Cb 0.49 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 39.96 1udu h ASP 687 CO -0.11 0.00 -1.77 -0.61 -3.12 0.00 0.00 179.24 173.63 1udu h GLN 688 N 0.00 0.09 0.61 3.56 5.75 -0.56 -1.81 115.11 122.74 1udu h GLN 688 Ca 0.21 -0.15 -0.03 0.00 -0.15 0.00 0.00 58.65 58.53 1udu h GLN 688 Cb 1.23 0.06 0.01 0.00 1.07 0.00 0.00 27.48 29.84 1udu h GLN 688 CO -0.00 0.74 -0.29 0.00 -2.65 0.00 0.00 178.83 176.62 1udu h LEU 690 N -0.93 0.25 -0.95 0.00 5.85 0.14 -1.82 115.31 117.85 1udu h LEU 690 Ca -0.08 -0.01 0.32 0.00 0.84 0.00 0.00 57.88 58.96 1udu h LEU 690 Cb 0.66 -0.06 -0.17 0.00 0.37 0.00 0.00 40.66 41.46 1udu h LEU 690 CO 0.14 0.18 0.24 0.80 -0.34 0.00 0.00 178.44 179.46 1udu n MET 691 N -4.94 -0.07 0.00 1.25 1.56 -0.68 -1.93 117.12 112.32 1udu n MET 691 Ca -0.03 1.37 0.00 0.00 -0.27 0.00 0.00 57.70 58.78 1udu n MET 691 Cb 0.03 -2.31 0.00 0.00 2.15 0.00 0.00 33.22 33.09 1udu n MET 691 CO 0.00 0.00 0.00 -0.89 -0.73 0.00 0.00 175.97 174.35 1udu n ILE 692 N -5.29 0.00 -0.22 1.12 2.08 -0.72 -2.64 119.36 113.68 1udu n ILE 692 Ca 0.29 0.53 0.17 0.00 0.56 0.00 0.00 62.75 64.30 1udu n ILE 692 Cb 0.96 -1.07 0.28 0.00 -0.75 0.00 0.00 39.64 39.05 1udu n ILE 692 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 1udu n LEU 693 N -0.66 0.03 0.13 1.39 4.77 -0.98 0.46 117.00 122.13 1udu n LEU 693 Ca 0.00 0.41 -0.24 0.00 -0.03 0.00 0.00 56.01 56.14 1udu n LEU 693 Cb 0.00 -0.20 -0.16 0.00 -2.33 0.00 0.00 43.42 40.73 1udu n LEU 693 CO 0.00 -0.42 -0.30 0.78 -1.33 0.00 0.00 177.39 176.12 1udu h ASN 694 N 0.00 0.79 -1.34 -1.43 4.21 -1.47 -3.37 115.58 112.97 1udu h ASN 694 Ca 0.33 -0.91 -0.47 0.00 1.21 0.00 0.00 56.30 56.46 1udu h ASN 694 Cb 1.23 -0.26 0.12 0.00 -1.12 0.00 0.00 38.32 38.30 1udu h ASN 694 CO -0.06 1.72 -0.76 -1.20 -1.29 0.00 0.00 177.43 175.84 1udu n SER 695 N -3.69 -2.34 -4.74 5.81 7.64 1.63 -4.80 113.62 113.13 1udu n SER 695 Ca -0.18 0.59 -0.41 0.00 1.01 0.00 0.00 58.87 59.88 1udu n SER 695 Cb 1.10 -0.67 -0.04 0.00 -1.01 0.00 0.00 64.21 63.59 1udu n SER 695 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1udu s PRO 696 N -0.76 4.67 0.00 1.43 0.04 -1.26 -3.36 135.00 135.76 1udu s PRO 696 Ca 0.45 1.62 0.00 0.00 0.04 0.00 0.00 61.00 63.11 1udu s PRO 696 Cb -0.46 -3.29 0.00 0.00 0.04 0.00 0.00 34.50 30.78 1udu s PRO 696 CO 0.49 0.20 0.00 0.41 0.04 0.00 0.00 177.00 178.14 1udu n GLY 697 N 1.90 1.51 1.01 0.56 0.00 -1.26 -4.80 105.19 104.12 1udu n GLY 697 Ca 0.01 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.08 1udu n GLY 697 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1udu n ASN 698 N 0.00 1.27 -4.37 1.61 3.02 -1.21 -4.38 115.26 111.20 1udu n ASN 698 Ca 0.00 -2.79 -0.46 0.00 -0.03 0.00 0.00 54.58 51.31 1udu n ASN 698 Cb 0.00 -0.39 -0.02 0.00 -0.61 0.00 0.00 39.78 38.77 1udu n ASN 698 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1udu s GLN 699 N -1.39 3.73 0.00 3.52 -0.21 -1.24 -4.42 119.66 119.65 1udu s GLN 699 Ca 0.33 -2.43 0.28 0.00 0.02 0.00 0.00 55.36 53.56 1udu s GLN 699 Cb 0.35 -4.60 1.65 0.00 1.00 0.00 0.00 33.01 31.41 1udu s GLN 699 CO -0.11 -1.42 2.02 0.44 -2.12 0.00 0.00 175.29 174.11 1udu n ILE 700 N 4.15 0.02 0.51 1.08 -5.35 -1.26 -2.76 119.36 115.75 1udu n ILE 700 Ca 0.19 0.00 0.06 0.00 -0.27 0.00 0.00 62.75 62.73 1udu n ILE 700 Cb 0.46 -0.56 -0.01 0.00 -1.74 0.00 0.00 39.64 37.79 1udu n ILE 700 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 1udu n LEU 701 N -1.05 1.14 -3.29 7.28 4.77 -1.26 -4.72 117.00 119.88 1udu n LEU 701 Ca 0.20 -0.71 -0.28 0.00 -0.03 0.00 0.00 56.01 55.19 1udu n LEU 701 Cb 0.12 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.18 1udu n LEU 701 CO 0.17 0.23 2.37 -1.54 -1.33 0.00 0.00 177.39 177.29 1udu n SER 702 N -0.44 4.60 0.00 -1.43 3.41 -1.11 -0.59 113.62 118.06 1udu n SER 702 Ca 0.04 -2.42 0.00 0.00 -0.26 0.00 0.00 58.87 56.23 1udu n SER 702 Cb 0.23 -1.14 0.00 0.00 -0.26 0.00 0.00 64.21 63.04 1udu n SER 702 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1udu n GLY 703 N 3.92 0.43 1.51 5.00 0.00 -1.26 -5.03 105.19 109.76 1udu n GLY 703 Ca 0.47 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.39 1udu n GLY 703 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1udu n LEU 704 N 0.00 0.00 -4.74 0.99 4.77 0.25 -4.95 117.00 113.32 1udu n LEU 704 Ca 0.00 -0.67 -0.25 0.00 -0.03 0.00 0.00 56.01 55.06 1udu n LEU 704 Cb 0.00 -0.34 -0.07 0.00 -2.33 0.00 0.00 43.42 40.68 1udu n LEU 704 CO 0.00 -0.80 -0.15 -0.44 -1.33 0.00 0.00 177.39 174.66 1udu s SER 705 N -2.78 4.41 0.17 -1.43 0.01 -1.26 -4.88 113.70 107.94 1udu s SER 705 Ca 0.28 -1.10 -0.23 0.00 1.31 0.00 0.00 55.95 56.21 1udu s SER 705 Cb -0.01 -0.43 0.07 0.00 0.21 0.00 0.00 66.02 65.86 1udu s SER 705 CO 0.19 -0.57 1.59 0.40 0.41 0.00 0.00 173.24 175.26 1udu h ILE 706 N 1.41 0.17 0.00 1.44 2.04 -1.99 0.38 117.51 120.95 1udu h ILE 706 Ca -0.43 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.43 1udu h ILE 706 Cb 1.25 0.17 0.00 0.00 -0.74 0.00 0.00 36.82 37.50 1udu h ILE 706 CO 0.70 0.00 0.00 -1.84 0.00 0.00 0.00 178.15 177.01 1udu n GLU 707 N -5.42 0.80 -0.09 2.37 0.28 -1.26 -1.91 120.64 115.42 1udu n GLU 707 Ca 0.02 0.00 -0.10 0.00 -0.16 0.00 0.00 57.16 56.92 1udu n GLU 707 Cb 0.35 -1.50 -0.04 0.00 1.43 0.00 0.00 31.44 31.68 1udu n GLU 707 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1udu n GLU 708 N -1.00 0.50 0.21 3.44 -0.58 0.97 -3.33 120.64 120.86 1udu n GLU 708 Ca 0.19 0.40 0.16 0.00 -0.42 0.00 0.00 57.16 57.49 1udu n GLU 708 Cb 0.09 -1.59 0.82 0.00 -0.57 0.00 0.00 31.44 30.19 1udu n GLU 708 CO 0.00 0.00 0.00 -0.92 -0.48 0.00 0.00 177.13 175.73 1udu h TYR 709 N -1.00 0.00 0.14 -0.32 3.20 -0.58 -1.65 116.97 116.76 1udu h TYR 709 Ca -0.09 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.78 1udu h TYR 709 Cb 0.85 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.12 1udu h TYR 709 CO -0.26 0.00 -0.07 -0.22 -1.64 0.00 0.00 178.16 175.98 1udu h LYS 710 N 0.00 -0.18 -1.22 1.82 3.64 -1.56 -2.84 116.57 116.23 1udu h LYS 710 Ca 0.07 0.01 0.35 0.00 -1.27 0.00 0.00 60.65 59.82 1udu h LYS 710 Cb 0.40 0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 32.20 1udu h LYS 710 CO -0.00 -0.12 0.86 1.15 -2.27 0.00 0.00 179.45 179.07 1udu h THR 711 N -0.76 0.38 0.00 1.00 2.02 -1.50 0.40 112.91 114.45 1udu h THR 711 Ca -0.02 -0.03 -0.23 0.00 0.77 0.00 0.00 66.41 66.90 1udu h THR 711 Cb 0.14 0.29 -0.04 0.00 -1.74 0.00 0.00 68.15 66.80 1udu h THR 711 CO 0.03 0.02 -1.20 0.74 0.37 0.00 0.00 175.52 175.48 1udu h THR 712 N 0.09 1.36 0.00 3.16 2.02 -1.40 -3.17 112.91 114.96 1udu h THR 712 Ca 0.62 -3.09 -0.07 0.00 0.77 0.00 0.00 66.41 64.64 1udu h THR 712 Cb 2.24 2.67 -0.01 0.00 -1.74 0.00 0.00 68.15 71.30 1udu h THR 712 CO -0.10 0.78 -0.34 -0.07 0.37 0.00 0.00 175.52 176.16 1udu h LEU 713 N 0.00 0.00 -0.82 2.58 3.38 -0.04 0.16 115.31 120.57 1udu h LEU 713 Ca -0.10 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.75 1udu h LEU 713 Cb 1.81 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.55 1udu h LEU 713 CO 0.11 0.34 -0.52 0.50 0.09 0.00 0.00 178.44 178.96 1udu h LYS 714 N 0.00 0.18 0.00 1.13 3.64 -1.02 -1.36 116.57 119.14 1udu h LYS 714 Ca -0.00 -0.11 -0.01 0.00 -1.27 0.00 0.00 60.65 59.26 1udu h LYS 714 Cb 1.22 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 33.04 1udu h LYS 714 CO 0.04 0.66 -0.08 0.82 -2.27 0.00 0.00 179.45 178.63 1udu h ILE 715 N 0.14 0.45 -0.26 2.00 2.04 -1.48 -2.45 117.51 117.95 1udu h ILE 715 Ca 0.00 -1.35 0.03 0.00 1.00 0.00 0.00 64.86 64.54 1udu h ILE 715 Cb 0.97 0.86 -0.04 0.00 -0.74 0.00 0.00 36.82 37.87 1udu h ILE 715 CO 0.08 0.15 -0.24 0.40 0.00 0.00 0.00 178.15 178.54 1udu h ILE 716 N -1.00 0.00 0.00 -0.67 2.04 -0.73 1.23 117.51 118.37 1udu h ILE 716 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.85 1udu h ILE 716 Cb 0.31 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.39 1udu h ILE 716 CO -0.01 0.00 0.00 1.17 0.00 0.00 0.00 178.15 179.31 1udu n LYS 717 N -3.86 0.00 -0.54 2.37 4.81 -0.51 0.09 118.16 120.53 1udu n LYS 717 Ca -0.01 0.63 0.45 0.00 -0.87 0.00 0.00 58.31 58.51 1udu n LYS 717 Cb 0.13 -1.34 0.78 0.00 0.02 0.00 0.00 35.03 34.62 1udu n LYS 717 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 1udu h GLN 718 N 0.00 0.02 0.06 1.64 7.50 -1.29 -1.54 115.11 121.50 1udu h GLN 718 Ca 0.00 -0.00 -0.00 0.00 0.50 0.00 0.00 58.65 59.15 1udu h GLN 718 Cb 0.00 -0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.53 1udu h GLN 718 CO 0.00 0.01 -0.03 0.00 -1.50 0.00 0.00 178.83 177.31 1udu h ALA 719 N 1.23 -0.63 -0.57 3.87 0.00 0.40 -3.12 119.26 120.43 1udu h ALA 719 Ca 0.79 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.75 1udu h ALA 719 Cb 3.07 0.03 -0.10 0.00 0.00 0.00 0.00 17.79 20.79 1udu h ALA 719 CO -0.06 -0.63 -0.51 0.82 0.00 0.00 0.00 179.25 178.88 1udu h ILE 720 N -0.12 0.04 0.00 0.00 2.04 0.60 0.61 117.51 120.68 1udu h ILE 720 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.85 1udu h ILE 720 Cb 0.06 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.18 1udu h ILE 720 CO 0.01 0.00 0.00 0.18 0.00 0.00 0.00 178.15 178.35 1udu n LEU 721 N -5.37 0.00 -0.87 1.44 4.77 -0.73 0.10 117.00 116.34 1udu n LEU 721 Ca -0.00 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.08 1udu n LEU 721 Cb 0.34 -0.00 0.10 0.00 -2.33 0.00 0.00 43.42 41.53 1udu n LEU 721 CO -0.03 -0.00 0.59 0.00 -1.33 0.00 0.00 177.39 176.63 1udu n ALA 722 N -0.81 2.45 1.53 -1.18 0.00 0.21 -4.09 120.51 118.63 1udu n ALA 722 Ca 0.00 -0.72 0.15 0.00 0.00 0.00 0.00 53.44 52.87 1udu n ALA 722 Cb 0.00 -0.71 0.70 0.00 0.00 0.00 0.00 19.45 19.44 1udu n ALA 722 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1udu n THR 723 N 1.19 0.00 -2.65 0.00 -2.24 0.12 -4.50 114.28 106.20 1udu n THR 723 Ca 0.13 -0.05 -0.43 0.00 -2.27 0.00 0.00 64.05 61.44 1udu n THR 723 Cb 0.53 -0.22 -0.01 0.00 -2.10 0.00 0.00 70.33 68.52 1udu n THR 723 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1udu s ASP 724 N -2.37 6.75 0.36 3.42 2.15 -1.26 -4.85 116.67 120.88 1udu s ASP 724 Ca 0.33 -2.19 0.31 0.00 0.43 0.00 0.00 52.55 51.43 1udu s ASP 724 Cb 0.21 -2.54 1.16 0.00 -0.30 0.00 0.00 42.92 41.45 1udu s ASP 724 CO 0.44 -1.21 1.10 0.18 -0.17 0.00 0.00 175.17 175.52 1udu n LEU 725 N 8.01 0.06 0.07 -1.34 4.32 -1.26 0.45 117.00 127.30 1udu n LEU 725 Ca 0.40 0.81 -0.15 0.00 -0.02 0.00 0.00 56.01 57.05 1udu n LEU 725 Cb 0.47 -0.40 -0.10 0.00 -1.62 0.00 0.00 43.42 41.78 1udu n LEU 725 CO 0.69 -0.84 0.51 0.00 -1.22 0.00 0.00 177.39 176.54 1udu h ALA 726 N 0.86 -0.95 -0.32 -1.18 0.00 -1.94 0.58 119.26 116.31 1udu h ALA 726 Ca 0.65 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.50 1udu h ALA 726 Cb 2.42 0.93 -0.03 0.00 0.00 0.00 0.00 17.79 21.11 1udu h ALA 726 CO -0.13 -1.10 0.14 1.25 0.00 0.00 0.00 179.25 179.42 1udu h LEU 727 N -0.67 0.20 -1.56 0.00 6.46 -0.37 0.23 115.31 119.60 1udu h LEU 727 Ca 0.01 0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.79 1udu h LEU 727 Cb 0.70 -0.01 0.00 0.00 -0.73 0.00 0.00 40.66 40.62 1udu h LEU 727 CO -0.33 0.15 0.00 0.22 -0.62 0.00 0.00 178.44 177.87 1udu h TYR 728 N 0.31 0.00 0.00 1.25 3.20 -1.14 0.15 116.97 120.74 1udu h TYR 728 Ca 0.14 0.00 -0.18 0.00 3.14 0.00 0.00 58.73 61.83 1udu h TYR 728 Cb 0.07 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.31 1udu h TYR 728 CO -0.11 0.00 -2.08 -0.89 -1.64 0.00 0.00 178.16 173.44 1udu n ILE 729 N -2.33 0.66 -0.37 1.81 5.41 0.20 -2.60 119.36 122.14 1udu n ILE 729 Ca -0.01 -0.62 -0.10 0.00 1.00 0.00 0.00 62.75 63.02 1udu n ILE 729 Cb 0.04 -0.25 0.15 0.00 -0.71 0.00 0.00 39.64 38.88 1udu n ILE 729 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 1udu n LYS 730 N -2.44 2.26 0.00 0.38 4.81 0.63 -4.42 118.16 119.38 1udu n LYS 730 Ca -0.17 -1.96 0.00 0.00 -0.87 0.00 0.00 58.31 55.31 1udu n LYS 730 Cb 0.82 -1.82 0.00 0.00 0.02 0.00 0.00 35.03 34.05 1udu n LYS 730 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1udu n ARG 731 N -0.30 0.00 0.00 1.64 1.74 -0.54 -4.94 116.66 114.26 1udu n ARG 731 Ca 0.33 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.41 1udu n ARG 731 Cb 1.15 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.59 1udu n ARG 731 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 1udu n ARG 732 N -0.57 0.00 -0.48 5.56 1.85 -1.07 -0.53 116.66 121.41 1udu n ARG 732 Ca 0.00 0.00 0.40 0.00 -1.00 0.00 0.00 57.85 57.25 1udu n ARG 732 Cb 0.00 0.00 0.62 0.00 -1.05 0.00 0.00 32.46 32.03 1udu n ARG 732 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1udu n GLY 733 N -0.51 -0.82 0.11 2.89 0.00 -1.26 -0.49 105.19 105.11 1udu n GLY 733 Ca 0.00 0.52 -0.21 0.00 0.00 0.00 0.00 46.02 46.33 1udu n GLY 733 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1udu n GLU 734 N -3.49 0.55 0.00 1.61 2.13 0.31 -3.91 120.64 117.85 1udu n GLU 734 Ca 0.33 0.41 0.00 0.00 0.66 0.00 0.00 57.16 58.57 1udu n GLU 734 Cb 1.67 -1.61 0.00 0.00 0.27 0.00 0.00 31.44 31.77 1udu n GLU 734 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1udu n PHE 735 N -4.40 0.00 -1.68 4.31 7.35 -0.16 0.48 117.46 123.36 1udu n PHE 735 Ca -0.34 0.00 -0.24 0.00 -0.76 0.00 0.00 57.45 56.10 1udu n PHE 735 Cb 0.68 -0.03 0.07 0.00 0.35 0.00 0.00 39.48 40.55 1udu n PHE 735 CO 0.00 0.00 0.00 1.19 -0.76 0.00 0.00 176.76 177.19 1udu n PHE 736 N -0.94 2.63 -0.01 -5.13 3.01 0.36 -4.25 117.46 113.12 1udu n PHE 736 Ca 0.00 -2.38 0.00 0.00 1.01 0.00 0.00 57.45 56.08 1udu n PHE 736 Cb 0.01 -0.75 0.00 0.00 -0.01 0.00 0.00 39.48 38.72 1udu n PHE 736 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1udu n GLU 737 N -0.86 2.03 0.00 -1.08 -0.58 0.18 -4.42 120.64 115.91 1udu n GLU 737 Ca 0.49 0.00 0.08 0.00 -0.42 0.00 0.00 57.16 57.31 1udu n GLU 737 Cb 0.89 -0.17 0.40 0.00 -0.57 0.00 0.00 31.44 31.99 1udu n GLU 737 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1udu n LEU 738 N 0.00 0.00 -0.09 -4.62 4.77 -1.17 0.60 117.00 116.49 1udu n LEU 738 Ca 0.00 0.42 -0.14 0.00 -0.03 0.00 0.00 56.01 56.26 1udu n LEU 738 Cb 0.00 -0.42 -0.05 0.00 -2.33 0.00 0.00 43.42 40.62 1udu n LEU 738 CO 0.00 -0.17 -0.86 -0.38 -1.33 0.00 0.00 177.39 174.64 1udu n ILE 739 N -1.42 1.45 0.77 -0.08 2.08 -1.26 -0.76 119.36 120.14 1udu n ILE 739 Ca 0.06 -0.00 0.06 0.00 0.56 0.00 0.00 62.75 63.42 1udu n ILE 739 Cb 0.18 -2.14 0.37 0.00 -0.75 0.00 0.00 39.64 37.29 1udu n ILE 739 CO 0.00 0.00 0.00 -1.14 0.56 0.00 0.00 176.55 175.97 1udu n ARG 740 N -4.30 0.38 0.00 0.38 0.63 -1.05 -0.54 116.66 112.16 1udu n ARG 740 Ca -0.25 0.01 0.00 0.00 -0.92 0.00 0.00 57.85 56.69 1udu n ARG 740 Cb 0.60 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 32.01 1udu n ARG 740 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1udu n LYS 741 N -1.01 -0.24 -0.19 -0.14 5.02 0.20 -5.00 118.16 116.80 1udu n LYS 741 Ca 0.09 -0.18 0.00 0.00 -2.02 0.00 0.00 58.31 56.20 1udu n LYS 741 Cb 0.04 -0.67 0.00 0.00 -0.02 0.00 0.00 35.03 34.38 1udu n LYS 741 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1udu n ASN 742 N -0.02 0.00 -0.18 4.39 3.02 0.30 -4.67 115.26 118.10 1udu n ASN 742 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1udu n ASN 742 Cb 0.15 -1.28 0.00 0.00 -0.61 0.00 0.00 39.78 38.04 1udu n ASN 742 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1udu n GLN 743 N -0.95 0.00 -0.76 3.52 6.02 -0.98 -4.76 117.38 119.48 1udu n GLN 743 Ca 0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.66 1udu n GLN 743 Cb 0.00 -0.98 0.13 0.00 1.02 0.00 0.00 30.24 30.41 1udu n GLN 743 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1udu n PHE 744 N -0.12 -1.44 0.00 1.08 7.35 0.06 -4.96 117.46 119.43 1udu n PHE 744 Ca 0.00 0.29 0.00 0.00 -0.76 0.00 0.00 57.45 56.98 1udu n PHE 744 Cb 0.00 -1.49 0.00 0.00 0.35 0.00 0.00 39.48 38.34 1udu n PHE 744 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 1udu n ASN 745 N -0.05 0.00 -0.02 -2.13 5.15 -1.26 -5.04 115.26 111.90 1udu n ASN 745 Ca 0.00 0.00 0.12 0.00 -0.60 0.00 0.00 54.58 54.10 1udu n ASN 745 Cb 0.64 0.00 0.23 0.00 -0.53 0.00 0.00 39.78 40.12 1udu n ASN 745 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1udu n LEU 746 N 0.00 0.59 0.14 1.20 4.77 -1.26 -3.85 117.00 118.59 1udu n LEU 746 Ca 0.00 -0.07 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 1udu n LEU 746 Cb 0.00 -0.22 0.28 0.00 -2.33 0.00 0.00 43.42 41.16 1udu n LEU 746 CO 0.00 0.14 0.67 -0.08 -1.33 0.00 0.00 177.39 176.80 1udu h GLU 747 N 0.11 0.11 -6.18 3.23 4.57 -1.97 -3.40 114.58 111.04 1udu h GLU 747 Ca 0.00 -0.05 -0.56 0.00 -1.18 0.00 0.00 59.36 57.57 1udu h GLU 747 Cb 0.50 -0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.06 1udu h GLU 747 CO 0.00 0.50 0.96 0.34 -1.18 0.00 0.00 179.01 179.62 1udu s ASP 748 N -6.90 6.86 0.05 1.04 -1.08 -1.25 -4.96 116.67 110.44 1udu s ASP 748 Ca -0.03 1.85 -0.13 0.00 -0.52 0.00 0.00 52.55 53.71 1udu s ASP 748 Cb 0.14 -2.54 -0.04 0.00 -1.46 0.00 0.00 42.92 39.02 1udu s ASP 748 CO 0.75 -0.81 1.22 -0.65 0.52 0.00 0.00 175.17 176.20 1udu h PRO 749 N 8.58 -0.15 -0.98 4.34 0.11 -1.91 -1.40 132.00 140.59 1udu h PRO 749 Ca -0.30 0.01 0.21 0.00 0.11 0.00 0.00 66.00 66.03 1udu h PRO 749 Cb 1.12 0.03 -0.19 0.00 0.11 0.00 0.00 31.00 32.08 1udu h PRO 749 CO 0.97 -0.10 -0.20 1.25 -0.21 0.00 0.00 178.00 179.71 1udu h HIS 750 N -0.15 -0.44 -0.04 0.65 -0.00 -1.95 1.11 115.15 114.33 1udu h HIS 750 Ca 0.03 0.09 -0.06 0.00 -0.00 0.00 0.00 60.37 60.43 1udu h HIS 750 Cb 0.24 0.35 -0.01 0.00 -0.00 0.00 0.00 27.41 27.99 1udu h HIS 750 CO -0.67 -0.42 -0.26 1.96 -0.00 0.00 0.00 177.93 178.53 1udu h GLN 751 N 0.00 0.06 0.00 5.26 4.20 -1.71 0.16 115.11 123.09 1udu h GLN 751 Ca 0.49 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 59.15 1udu h GLN 751 Cb 0.81 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.58 1udu h GLN 751 CO -1.00 0.33 -0.15 -0.22 -0.67 0.00 0.00 178.83 177.12 1udu h LYS 752 N 0.06 0.00 0.00 1.46 1.63 0.23 0.14 116.57 120.09 1udu h LYS 752 Ca 0.01 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 1udu h LYS 752 Cb 0.50 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.13 1udu h LYS 752 CO 0.04 0.15 0.00 0.39 -3.45 0.00 0.00 179.45 176.58 1udu n GLU 753 N -3.60 0.00 -0.22 1.90 1.02 0.47 -1.95 120.64 118.26 1udu n GLU 753 Ca -0.01 0.00 0.18 0.00 -0.02 0.00 0.00 57.16 57.31 1udu n GLU 753 Cb 0.29 -0.67 0.34 0.00 -0.02 0.00 0.00 31.44 31.37 1udu n GLU 753 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1udu n LEU 754 N -0.49 0.15 0.00 -4.62 4.32 -0.63 -0.63 117.00 115.09 1udu n LEU 754 Ca 0.00 1.12 0.00 0.00 -0.02 0.00 0.00 56.01 57.11 1udu n LEU 754 Cb 0.00 -0.51 0.00 0.00 -1.62 0.00 0.00 43.42 41.29 1udu n LEU 754 CO 0.00 -1.22 0.24 0.33 -1.22 0.00 0.00 177.39 175.53 1udu n PHE 755 N -4.62 0.00 -0.45 -1.77 7.35 0.49 -1.16 117.46 117.31 1udu n PHE 755 Ca 0.23 0.00 0.36 0.00 -0.76 0.00 0.00 57.45 57.27 1udu n PHE 755 Cb 0.77 -0.09 0.58 0.00 0.35 0.00 0.00 39.48 41.08 1udu n PHE 755 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 1udu n LEU 756 N -0.77 0.10 0.06 -2.13 4.77 0.10 -0.19 117.00 118.94 1udu n LEU 756 Ca 0.00 0.96 -0.03 0.00 -0.03 0.00 0.00 56.01 56.92 1udu n LEU 756 Cb 0.00 -0.48 -0.01 0.00 -2.33 0.00 0.00 43.42 40.60 1udu n LEU 756 CO 0.00 -1.02 0.22 0.00 -1.33 0.00 0.00 177.39 175.26 1udu h ALA 757 N 1.06 -0.47 -1.85 -1.18 0.00 -0.80 -1.12 119.26 114.90 1udu h ALA 757 Ca 0.71 -0.04 0.54 0.00 0.00 0.00 0.00 54.91 56.12 1udu h ALA 757 Cb 2.53 0.07 -0.08 0.00 0.00 0.00 0.00 17.79 20.31 1udu h ALA 757 CO -0.22 -0.46 1.33 1.98 0.00 0.00 0.00 179.25 181.88 1udu h MET 758 N -0.35 0.00 0.07 0.00 4.05 0.97 2.05 114.93 121.71 1udu h MET 758 Ca -0.02 -0.00 -0.28 0.00 -0.28 0.00 0.00 59.70 59.12 1udu h MET 758 Cb 0.13 -0.00 0.02 0.00 -0.80 0.00 0.00 31.60 30.96 1udu h MET 758 CO 0.03 0.00 -1.16 1.25 0.23 0.00 0.00 176.91 177.26 1udu h LEU 759 N 0.00 0.87 -0.32 3.39 5.85 -0.91 -2.21 115.31 121.99 1udu h LEU 759 Ca 0.88 -0.76 0.00 0.00 0.84 0.00 0.00 57.88 58.84 1udu h LEU 759 Cb 3.53 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 44.27 1udu h LEU 759 CO -0.02 1.56 0.21 0.24 -0.34 0.00 0.00 178.44 180.09 1udu h MET 760 N 0.32 0.43 -0.06 1.25 2.86 0.46 -1.51 114.93 118.68 1udu h MET 760 Ca -0.16 -0.03 -0.11 0.00 -2.06 0.00 0.00 59.70 57.34 1udu h MET 760 Cb 1.82 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 33.37 1udu h MET 760 CO 0.22 0.30 -0.46 1.79 1.06 0.00 0.00 176.91 179.83 1udu h THR 761 N 0.43 1.33 -0.60 2.22 1.35 -1.45 0.14 112.91 116.33 1udu h THR 761 Ca 0.12 -1.62 0.10 0.00 -0.55 0.00 0.00 66.41 64.46 1udu h THR 761 Cb -0.03 1.80 -0.08 0.00 -1.73 0.00 0.00 68.15 68.11 1udu h THR 761 CO -0.02 0.47 0.18 0.00 -0.25 0.00 0.00 175.52 175.90 1udu h ALA 762 N 1.41 0.75 0.00 6.62 0.00 -0.72 -0.43 119.26 126.88 1udu h ALA 762 Ca 0.01 0.11 -0.15 0.00 0.00 0.00 0.00 54.91 54.88 1udu h ALA 762 Cb 0.86 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 1udu h ALA 762 CO 0.07 -0.25 -0.69 0.00 0.00 0.00 0.00 179.25 178.37 1udu h ASP 764 N 0.00 -0.59 0.00 0.00 1.82 0.53 -1.09 116.42 117.09 1udu h ASP 764 Ca -0.01 0.04 0.00 0.00 -0.39 0.00 0.00 57.03 56.67 1udu h ASP 764 Cb 1.46 0.18 0.00 0.00 0.68 0.00 0.00 39.33 41.65 1udu h ASP 764 CO 0.09 -0.33 0.00 0.18 -1.61 0.00 0.00 179.24 177.57 1udu n LEU 765 N -3.70 0.00 -0.14 2.28 4.32 -0.33 -4.33 117.00 115.11 1udu n LEU 765 Ca -0.06 0.00 0.01 0.00 -0.02 0.00 0.00 56.01 55.94 1udu n LEU 765 Cb 0.22 0.00 0.04 0.00 -1.62 0.00 0.00 43.42 42.06 1udu n LEU 765 CO 0.14 0.00 0.23 -1.54 -1.22 0.00 0.00 177.39 175.00 1udu n SER 766 N -0.74 -0.18 0.16 -1.43 3.41 -0.41 0.12 113.62 114.55 1udu n SER 766 Ca 0.03 0.64 0.12 0.00 -0.26 0.00 0.00 58.87 59.40 1udu n SER 766 Cb 0.01 -0.17 0.58 0.00 -0.26 0.00 0.00 64.21 64.36 1udu n SER 766 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1udu h ALA 767 N 0.65 1.00 0.00 7.33 0.00 -1.83 -2.90 119.26 123.50 1udu h ALA 767 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1udu h ALA 767 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1udu h ALA 767 CO -0.38 0.00 0.00 1.51 0.00 0.00 0.00 179.25 180.38 1udu n ILE 768 N -2.32 0.76 -0.92 0.00 0.13 0.34 -2.58 119.36 114.76 1udu n ILE 768 Ca 0.00 0.08 0.08 0.00 -1.10 0.00 0.00 62.75 61.82 1udu n ILE 768 Cb 0.13 -1.00 0.25 0.00 -0.84 0.00 0.00 39.64 38.18 1udu n ILE 768 CO 0.00 0.00 0.00 0.35 2.80 0.00 0.00 176.55 179.70 1udu n THR 769 N -2.24 2.17 -3.49 9.51 -2.24 -1.09 -4.49 114.28 112.41 1udu n THR 769 Ca 0.03 -1.81 -0.32 0.00 -2.27 0.00 0.00 64.05 59.68 1udu n THR 769 Cb 0.29 -0.19 -0.05 0.00 -2.10 0.00 0.00 70.33 68.28 1udu n THR 769 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1udu s LYS 770 N -2.67 3.74 -0.29 -0.78 -0.14 -1.07 -4.15 119.74 114.39 1udu s LYS 770 Ca 0.40 0.16 -0.44 0.00 -1.36 0.00 0.00 55.97 54.73 1udu s LYS 770 Cb 0.32 -2.71 -0.20 0.00 -1.68 0.00 0.00 37.83 33.57 1udu s LYS 770 CO 0.09 0.36 1.39 -2.30 -0.76 0.00 0.00 175.35 174.14 1udu n PRO 771 N -0.09 0.04 -0.13 -1.68 -0.02 -1.26 -3.87 135.00 127.99 1udu n PRO 771 Ca -0.00 0.01 0.11 0.00 -2.02 0.00 0.00 63.50 61.60 1udu n PRO 771 Cb 0.52 -1.52 0.19 0.00 -0.02 0.00 0.00 33.50 32.68 1udu n PRO 771 CO 0.00 0.00 0.00 1.87 1.98 0.00 0.00 175.50 179.35 1udu n TRP 772 N 3.03 0.25 0.14 6.00 -0.00 -1.26 0.42 117.44 126.03 1udu n TRP 772 Ca 0.26 0.25 -0.06 0.00 -0.00 0.00 0.00 57.50 57.96 1udu n TRP 772 Cb 0.00 -0.64 -0.03 0.00 -0.00 0.00 0.00 31.31 30.65 1udu n TRP 772 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 177.69 176.34 1udu h PRO 773 N 0.00 -0.36 -0.93 5.87 0.11 -2.00 -1.35 132.00 133.34 1udu h PRO 773 Ca 0.26 0.02 0.22 0.00 0.11 0.00 0.00 66.00 66.62 1udu h PRO 773 Cb 0.79 0.08 -0.07 0.00 0.11 0.00 0.00 31.00 31.92 1udu h PRO 773 CO -0.17 -0.24 0.62 0.82 -0.21 0.00 0.00 178.00 178.82 1udu h ILE 774 N -0.56 0.64 0.03 4.15 2.04 -0.33 -1.18 117.51 122.30 1udu h ILE 774 Ca -0.04 -0.12 -0.00 0.00 1.00 0.00 0.00 64.86 65.70 1udu h ILE 774 Cb 0.29 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 36.62 1udu h ILE 774 CO 0.06 0.07 -0.01 -0.61 0.00 0.00 0.00 178.15 177.65 1udu h GLN 775 N 0.36 -0.04 -0.28 2.37 5.75 -1.30 -3.26 115.11 118.71 1udu h GLN 775 Ca 0.49 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.98 1udu h GLN 775 Cb 1.29 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.84 1udu h GLN 775 CO -0.18 0.66 0.15 0.37 -2.65 0.00 0.00 178.83 177.18 1udu h GLN 776 N -0.85 0.39 -0.87 1.69 4.15 -1.03 -1.14 115.11 117.45 1udu h GLN 776 Ca -0.00 -0.05 0.25 0.00 0.77 0.00 0.00 58.65 59.62 1udu h GLN 776 Cb 0.72 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 28.30 1udu h GLN 776 CO 0.01 0.35 0.81 -0.09 -1.93 0.00 0.00 178.83 177.98 1udu h ARG 777 N 0.33 0.00 0.05 1.69 1.12 -1.35 -1.58 114.38 114.65 1udu h ARG 777 Ca 0.10 0.00 -0.33 0.00 -1.11 0.00 0.00 59.98 58.64 1udu h ARG 777 Cb 0.08 0.00 -0.03 0.00 -0.01 0.00 0.00 29.97 30.01 1udu h ARG 777 CO -0.01 0.00 -1.85 -0.89 -3.11 0.00 0.00 179.97 174.11 1udu n ILE 778 N -3.73 1.64 0.14 1.20 5.41 -0.62 -4.11 119.36 119.29 1udu n ILE 778 Ca 0.18 -0.39 0.17 0.00 1.00 0.00 0.00 62.75 63.71 1udu n ILE 778 Cb 1.11 -1.83 0.76 0.00 -0.71 0.00 0.00 39.64 38.97 1udu n ILE 778 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1udu h ALA 779 N -0.25 2.06 0.00 -1.39 0.00 -0.26 0.94 119.26 120.36 1udu h ALA 779 Ca -0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1udu h ALA 779 Cb 1.72 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.53 1udu h ALA 779 CO -0.09 -0.39 0.00 0.93 0.00 0.00 0.00 179.25 179.70 1udu h GLU 780 N 0.00 0.00 0.00 0.00 5.08 -1.62 0.22 114.58 118.26 1udu h GLU 780 Ca 0.13 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.37 1udu h GLU 780 Cb 0.63 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 1udu h GLU 780 CO -0.00 0.00 -0.84 -0.07 -1.00 0.00 0.00 179.01 177.09 1udu h LEU 781 N 0.00 0.00 -1.37 1.33 3.38 0.66 -2.57 115.31 116.73 1udu h LEU 781 Ca 0.00 -0.35 0.10 0.00 0.09 0.00 0.00 57.88 57.73 1udu h LEU 781 Cb 0.61 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.31 1udu h LEU 781 CO 0.00 1.15 0.52 1.62 0.09 0.00 0.00 178.44 181.82 1udu h VAL 782 N -1.00 0.93 0.14 1.22 3.04 -0.93 0.46 116.25 120.11 1udu h VAL 782 Ca -0.19 -0.24 -0.01 0.00 -1.01 0.00 0.00 66.70 65.26 1udu h VAL 782 Cb 0.94 0.17 0.00 0.00 -2.01 0.00 0.00 31.29 30.40 1udu h VAL 782 CO -0.11 0.13 -0.07 0.00 -1.01 0.00 0.00 177.57 176.51 1udu h ALA 783 N 1.61 -0.19 -0.68 3.17 0.00 -0.67 0.24 119.26 122.74 1udu h ALA 783 Ca 0.37 -0.06 0.12 0.00 0.00 0.00 0.00 54.91 55.34 1udu h ALA 783 Cb 0.49 0.07 -0.13 0.00 0.00 0.00 0.00 17.79 18.23 1udu h ALA 783 CO -0.14 -0.59 -0.30 1.15 0.00 0.00 0.00 179.25 179.37 1udu h THR 784 N -0.23 0.18 0.57 0.00 2.02 -0.52 0.15 112.91 115.09 1udu h THR 784 Ca -0.02 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.13 1udu h THR 784 Cb 0.18 0.18 0.01 0.00 -1.74 0.00 0.00 68.15 66.77 1udu h THR 784 CO 0.03 0.00 -0.28 -0.08 0.37 0.00 0.00 175.52 175.57 1udu h GLU 785 N -0.10 -0.74 -0.43 6.66 4.81 -1.06 -0.22 114.58 123.50 1udu h GLU 785 Ca 0.28 0.05 0.13 0.00 -0.13 0.00 0.00 59.36 59.69 1udu h GLU 785 Cb 0.55 0.17 -0.02 0.00 0.63 0.00 0.00 28.75 30.09 1udu h GLU 785 CO -0.74 -0.46 0.40 0.74 -0.73 0.00 0.00 179.01 178.22 1udu h PHE 786 N -0.85 0.00 0.07 0.92 0.05 0.00 0.35 116.94 117.48 1udu h PHE 786 Ca -0.08 0.00 -0.21 0.00 3.82 0.00 0.00 57.97 61.50 1udu h PHE 786 Cb 0.62 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.56 1udu h PHE 786 CO -0.02 0.00 -1.08 0.74 -0.18 0.00 0.00 178.31 177.77 1udu h PHE 787 N 0.00 0.28 0.00 -0.55 -1.00 -0.54 -3.27 116.94 111.86 1udu h PHE 787 Ca 0.21 -0.21 -0.00 0.00 2.81 0.00 0.00 57.97 60.78 1udu h PHE 787 Cb 1.00 -0.01 -0.00 0.00 3.61 0.00 0.00 35.95 40.54 1udu h PHE 787 CO 0.00 1.42 -0.01 -0.44 -1.61 0.00 0.00 178.31 177.67 1udu h ASP 788 N -0.58 0.00 1.43 2.17 5.19 0.16 0.27 116.42 125.06 1udu h ASP 788 Ca -0.25 0.00 -0.10 0.00 -0.62 0.00 0.00 57.03 56.06 1udu h ASP 788 Cb 1.52 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 41.02 1udu h ASP 788 CO 0.00 0.01 -0.49 -0.61 -3.12 0.00 0.00 179.24 175.03 1udu h GLN 789 N 0.00 0.00 0.11 3.56 4.15 -1.09 -2.33 115.11 119.50 1udu h GLN 789 Ca -0.00 0.00 -0.18 0.00 0.77 0.00 0.00 58.65 59.24 1udu h GLN 789 Cb 0.09 0.00 0.02 0.00 0.21 0.00 0.00 27.48 27.80 1udu h GLN 789 CO 0.00 0.49 -0.78 0.78 -1.93 0.00 0.00 178.83 177.39 1udu h GLY 790 N 3.35 0.39 0.77 2.39 0.00 -0.59 -2.26 103.07 107.12 1udu h GLY 790 Ca -0.00 -0.89 0.03 0.00 0.00 0.00 0.00 47.33 46.47 1udu h GLY 790 CO 0.06 0.78 0.14 -0.55 0.00 0.00 0.00 176.54 176.97 1udu h ASP 791 N -0.28 0.18 -0.06 0.19 3.32 -1.16 -2.24 116.42 116.36 1udu h ASP 791 Ca -0.13 0.03 0.02 0.00 0.02 0.00 0.00 57.03 56.97 1udu h ASP 791 Cb 1.57 -0.00 -0.02 0.00 0.22 0.00 0.00 39.33 41.10 1udu h ASP 791 CO 0.15 0.14 -0.06 0.03 -1.72 0.00 0.00 179.24 177.78 1udu h ARG 792 N 0.30 -0.07 -3.03 3.56 3.08 -1.49 -3.03 114.38 113.71 1udu h ARG 792 Ca 0.15 0.00 -0.72 0.00 0.07 0.00 0.00 59.98 59.48 1udu h ARG 792 Cb 0.10 0.02 -0.08 0.00 0.08 0.00 0.00 29.97 30.08 1udu h ARG 792 CO -0.13 -0.04 2.82 0.39 -1.07 0.00 0.00 179.97 181.93 1udu n GLU 793 N -5.18 3.99 -0.02 0.04 1.02 -0.85 -1.28 120.64 118.37 1udu n GLU 793 Ca -0.05 -3.04 0.00 0.00 -0.02 0.00 0.00 57.16 54.05 1udu n GLU 793 Cb 0.11 -2.80 0.00 0.00 -0.02 0.00 0.00 31.44 28.73 1udu n GLU 793 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1udu n ARG 794 N 3.09 0.00 0.00 3.49 0.63 -1.15 -4.29 116.66 118.43 1udu n ARG 794 Ca 0.62 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.55 1udu n ARG 794 Cb 0.28 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.19 1udu n ARG 794 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 1udu n LYS 795 N 0.00 0.00 0.41 -0.14 3.00 -0.40 -4.84 118.16 116.18 1udu n LYS 795 Ca 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 58.31 58.15 1udu n LYS 795 Cb 0.07 0.00 -0.08 0.00 0.00 0.00 0.00 35.03 35.03 1udu n LYS 795 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 1udu h GLU 796 N 0.00 -1.00 -7.30 1.64 3.07 -1.82 -3.42 114.58 105.74 1udu h GLU 796 Ca 0.00 0.07 -0.48 0.00 -0.50 0.00 0.00 59.36 58.45 1udu h GLU 796 Cb 0.00 0.23 0.07 0.00 -0.84 0.00 0.00 28.75 28.21 1udu h GLU 796 CO 0.00 -0.67 0.29 -0.51 -1.40 0.00 0.00 179.01 176.72 1udu s LEU 797 N -8.79 3.01 -0.58 1.33 2.01 -1.26 -5.03 118.68 109.37 1udu s LEU 797 Ca -0.15 0.84 0.06 0.00 0.01 0.00 0.00 54.13 54.88 1udu s LEU 797 Cb 0.02 -3.61 0.20 0.00 0.01 0.00 0.00 46.19 42.81 1udu s LEU 797 CO 0.45 -1.29 0.54 0.59 1.01 0.00 0.00 176.35 177.66 1udu n ASN 798 N -2.83 2.13 -4.61 2.29 4.13 -1.26 -3.05 115.26 112.06 1udu n ASN 798 Ca 0.06 -3.04 -0.28 0.00 1.68 0.00 0.00 54.58 53.00 1udu n ASN 798 Cb 0.58 -0.68 -0.11 0.00 -1.54 0.00 0.00 39.78 38.04 1udu n ASN 798 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1udu s ILE 799 N -1.42 1.82 0.52 2.41 1.01 -1.26 -5.03 121.20 119.24 1udu s ILE 799 Ca 0.32 -2.00 0.07 0.00 0.00 0.00 0.00 60.65 59.05 1udu s ILE 799 Cb 0.06 -2.89 0.04 0.00 0.01 0.00 0.00 42.46 39.68 1udu s ILE 799 CO -0.12 0.00 0.51 -1.61 0.00 0.00 0.00 174.94 173.72 1udu s GLU 800 N -3.74 2.36 0.15 2.79 0.41 -1.26 -4.46 118.70 114.95 1udu s GLU 800 Ca 0.32 -1.77 -0.10 0.00 -0.41 0.00 0.00 54.97 53.01 1udu s GLU 800 Cb 0.09 -2.34 -0.07 0.00 -1.78 0.00 0.00 34.13 30.04 1udu s GLU 800 CO 0.16 -0.56 0.49 -2.14 -0.49 0.00 0.00 175.26 172.71 1udu s PRO 801 N -4.35 3.82 0.00 0.39 0.02 -1.26 -4.97 135.00 128.64 1udu s PRO 801 Ca 0.46 0.26 -0.01 0.00 0.02 0.00 0.00 61.00 61.73 1udu s PRO 801 Cb -0.04 -2.85 -0.04 0.00 0.02 0.00 0.00 34.50 31.60 1udu s PRO 801 CO 0.28 0.45 2.01 0.25 -0.33 0.00 0.00 177.00 179.65 1udu n THR 802 N 0.44 1.90 0.00 0.99 -2.24 -1.26 -4.76 114.28 109.36 1udu n THR 802 Ca -0.04 -0.59 0.00 0.00 -2.27 0.00 0.00 64.05 61.15 1udu n THR 802 Cb 0.52 -1.52 0.00 0.00 -2.10 0.00 0.00 70.33 67.23 1udu n THR 802 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1udu n ASP 803 N 1.73 0.00 -0.35 3.42 9.92 -1.26 -3.68 116.55 126.33 1udu n ASP 803 Ca 0.06 0.00 0.37 0.00 -0.53 0.00 0.00 54.79 54.69 1udu n ASP 803 Cb 0.50 0.00 0.73 0.00 -0.64 0.00 0.00 41.12 41.71 1udu n ASP 803 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 1udu h LEU 804 N 0.00 0.00 -2.38 0.64 5.85 -1.95 -1.22 115.31 116.25 1udu h LEU 804 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1udu h LEU 804 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 1udu h LEU 804 CO 0.00 0.00 0.00 0.23 -0.34 0.00 0.00 178.44 178.33 1udu n MET 805 N -3.97 2.02 -3.37 1.25 2.81 -1.24 -4.57 117.12 110.05 1udu n MET 805 Ca 0.27 -1.66 -0.38 0.00 -1.81 0.00 0.00 57.70 54.13 1udu n MET 805 Cb 1.38 -1.21 -0.06 0.00 -0.71 0.00 0.00 33.22 32.62 1udu n MET 805 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1udu s ASN 806 N -0.92 6.82 0.39 7.83 4.22 -0.46 -3.55 114.94 129.26 1udu s ASN 806 Ca 0.16 0.97 0.16 0.00 -2.14 0.00 0.00 52.86 52.02 1udu s ASN 806 Cb 0.09 -2.29 0.87 0.00 1.28 0.00 0.00 41.25 41.20 1udu s ASN 806 CO 0.13 0.18 1.41 -0.09 -2.04 0.00 0.00 177.10 176.69 1udu h ARG 807 N 5.50 0.00 0.00 3.55 9.65 -1.88 -3.39 114.38 127.80 1udu h ARG 807 Ca -0.47 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.41 1udu h ARG 807 Cb 1.20 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.78 1udu h ARG 807 CO 0.68 0.00 0.00 -1.91 2.80 0.00 0.00 179.97 181.54 1udu n GLU 808 N -2.20 3.58 -0.47 0.20 4.07 -1.26 -4.44 120.64 120.11 1udu n GLU 808 Ca -0.01 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.09 1udu n GLU 808 Cb 0.33 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.71 1udu n GLU 808 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 1udu n LYS 809 N 0.00 -1.68 0.11 5.31 4.01 -1.26 -4.67 118.16 119.98 1udu n LYS 809 Ca 0.00 0.21 0.09 0.00 -0.51 0.00 0.00 58.31 58.10 1udu n LYS 809 Cb 0.00 -3.62 0.42 0.00 -0.51 0.00 0.00 35.03 31.32 1udu n LYS 809 CO 0.00 0.00 0.00 0.36 -1.11 0.00 0.00 177.40 176.65 1udu n LYS 810 N 0.34 0.12 0.06 1.97 2.85 -1.26 -0.99 118.16 121.24 1udu n LYS 810 Ca 0.00 0.51 -0.05 0.00 -1.05 0.00 0.00 58.31 57.72 1udu n LYS 810 Cb 0.21 -1.80 -0.09 0.00 -0.65 0.00 0.00 35.03 32.70 1udu n LYS 810 CO 0.00 0.00 0.00 -2.95 -0.05 0.00 0.00 177.40 174.40 1udu h ASN 811 N 0.00 0.00 -0.45 -5.58 -1.07 -1.96 -3.17 115.58 103.35 1udu h ASN 811 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 1udu h ASN 811 Cb 0.13 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.38 1udu h ASN 811 CO 0.00 0.89 0.00 0.29 0.07 0.00 0.00 177.43 178.68 1udu n LYS 812 N -3.26 2.80 0.14 4.14 4.01 -0.16 -4.21 118.16 121.61 1udu n LYS 812 Ca -0.03 -1.93 0.04 0.00 -0.51 0.00 0.00 58.31 55.88 1udu n LYS 812 Cb 0.91 -1.66 0.47 0.00 -0.51 0.00 0.00 35.03 34.24 1udu n LYS 812 CO 0.00 0.00 0.00 -0.84 -1.11 0.00 0.00 177.40 175.45 1udu h ILE 813 N 2.81 1.12 0.60 -0.18 3.07 -1.51 -2.93 117.51 120.49 1udu h ILE 813 Ca 0.00 -0.46 -0.03 0.00 1.55 0.00 0.00 64.86 65.92 1udu h ILE 813 Cb 1.03 1.03 0.01 0.00 -0.27 0.00 0.00 36.82 38.62 1udu h ILE 813 CO 0.15 0.15 -0.29 -0.65 -1.05 0.00 0.00 178.15 176.46 1udu h PRO 814 N 0.21 -0.77 0.00 0.16 0.11 -1.85 -0.08 132.00 129.79 1udu h PRO 814 Ca 0.05 0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.21 1udu h PRO 814 Cb 0.19 0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.48 1udu h PRO 814 CO 0.01 -0.51 0.12 -1.13 -0.21 0.00 0.00 178.00 176.27 1udu n SER 815 N -4.26 0.00 -0.02 -2.05 3.41 -1.20 0.27 113.62 109.77 1udu n SER 815 Ca -0.10 0.37 -0.02 0.00 -0.26 0.00 0.00 58.87 58.86 1udu n SER 815 Cb 0.32 -0.37 -0.12 0.00 -0.26 0.00 0.00 64.21 63.78 1udu n SER 815 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1udu n MET 816 N -1.36 0.65 0.11 4.33 2.81 -1.00 -2.17 117.12 120.49 1udu n MET 816 Ca 0.00 0.09 -0.20 0.00 -1.81 0.00 0.00 57.70 55.79 1udu n MET 816 Cb 0.12 -1.68 -0.15 0.00 -0.71 0.00 0.00 33.22 30.81 1udu n MET 816 CO 0.00 0.00 0.00 1.96 1.51 0.00 0.00 175.97 179.44 1udu h GLN 817 N 0.00 0.38 0.66 0.03 1.08 0.57 -3.18 115.11 114.64 1udu h GLN 817 Ca -0.26 -0.64 -0.03 0.00 -1.45 0.00 0.00 58.65 56.26 1udu h GLN 817 Cb 1.73 0.24 0.01 0.00 -0.05 0.00 0.00 27.48 29.40 1udu h GLN 817 CO 0.04 1.30 -0.32 0.28 -0.95 0.00 0.00 178.83 179.17 1udu h VAL 818 N 0.10 0.04 -0.94 -0.54 2.07 0.10 -3.07 116.25 114.01 1udu h VAL 818 Ca -0.21 -0.35 0.21 0.00 0.82 0.00 0.00 66.70 67.18 1udu h VAL 818 Cb 2.06 0.05 -0.07 0.00 -1.52 0.00 0.00 31.29 31.81 1udu h VAL 818 CO 0.22 0.01 0.61 1.23 0.02 0.00 0.00 177.57 179.66 1udu h GLY 819 N -1.22 1.01 0.20 2.17 0.00 -1.59 -2.28 103.07 101.36 1udu h GLY 819 Ca -0.09 -0.21 -0.00 0.00 0.00 0.00 0.00 47.33 47.03 1udu h GLY 819 CO 0.15 -0.03 -0.23 -2.75 0.00 0.00 0.00 176.54 173.68 1udu h PHE 820 N 0.44 -0.65 -0.78 5.60 3.57 -1.55 0.70 116.94 124.27 1udu h PHE 820 Ca 0.50 0.01 0.18 0.00 3.53 0.00 0.00 57.97 62.19 1udu h PHE 820 Cb 1.20 0.26 -0.14 0.00 2.79 0.00 0.00 35.95 40.06 1udu h PHE 820 CO -0.00 -0.30 0.01 0.82 -2.23 0.00 0.00 178.31 176.61 1udu h ILE 821 N -0.44 0.31 -0.07 1.41 2.04 -1.35 2.01 117.51 121.41 1udu h ILE 821 Ca -0.02 -0.03 -0.15 0.00 1.00 0.00 0.00 64.86 65.65 1udu h ILE 821 Cb 0.39 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 1udu h ILE 821 CO -0.05 0.02 -0.61 0.44 0.00 0.00 0.00 178.15 177.96 1udu h ASP 822 N 0.10 0.29 0.70 1.72 5.19 -1.17 0.66 116.42 123.90 1udu h ASP 822 Ca 0.43 -0.16 -0.26 0.00 -0.62 0.00 0.00 57.03 56.41 1udu h ASP 822 Cb 0.77 -0.08 -0.01 0.00 0.18 0.00 0.00 39.33 40.19 1udu h ASP 822 CO -0.69 0.82 -1.23 0.00 -3.12 0.00 0.00 179.24 175.02 1udu h ALA 823 N 1.18 0.20 0.00 3.45 0.00 0.34 -3.46 119.26 120.97 1udu h ALA 823 Ca -0.01 -0.94 0.00 0.00 0.00 0.00 0.00 54.91 53.97 1udu h ALA 823 Cb 1.11 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1udu h ALA 823 CO 0.09 1.08 -0.21 -0.89 0.00 0.00 0.00 179.25 179.32 1udu n ILE 824 N -3.46 0.38 0.01 0.00 5.41 0.65 -5.00 119.36 117.35 1udu n ILE 824 Ca -0.08 0.12 -0.01 0.00 1.00 0.00 0.00 62.75 63.79 1udu n ILE 824 Cb 1.01 -1.04 -0.00 0.00 -0.71 0.00 0.00 39.64 38.89 1udu n ILE 824 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1udu n LEU 826 N -2.35 0.00 -0.32 0.00 0.00 0.22 -1.73 117.00 112.81 1udu n LEU 826 Ca -0.00 0.07 0.22 0.00 0.00 0.00 0.00 56.01 56.30 1udu n LEU 826 Cb 0.01 0.00 0.42 0.00 0.00 0.00 0.00 43.42 43.86 1udu n LEU 826 CO 0.01 0.00 0.97 1.56 0.00 0.00 0.00 177.39 179.93 1udu h GLN 827 N 0.00 0.09 0.00 1.96 7.50 -1.79 0.50 115.11 123.38 1udu h GLN 827 Ca 0.00 -0.01 -0.01 0.00 0.50 0.00 0.00 58.65 59.13 1udu h GLN 827 Cb 0.00 -0.02 -0.00 0.00 0.05 0.00 0.00 27.48 27.51 1udu h GLN 827 CO 0.00 0.06 -0.06 1.25 -1.50 0.00 0.00 178.83 178.59 1udu h LEU 828 N 0.10 0.00 0.01 1.46 7.12 -1.23 -1.35 115.31 121.41 1udu h LEU 828 Ca 0.70 0.00 -0.41 0.00 0.13 0.00 0.00 57.88 58.30 1udu h LEU 828 Cb 1.63 0.00 -0.07 0.00 -0.53 0.00 0.00 40.66 41.69 1udu h LEU 828 CO -0.77 0.06 -2.45 -1.22 -0.13 0.00 0.00 178.44 173.93 1udu n TYR 829 N -3.50 0.08 0.42 1.25 4.01 0.16 -3.50 117.16 116.10 1udu n TYR 829 Ca -0.02 0.02 -0.17 0.00 -0.16 0.00 0.00 57.90 57.57 1udu n TYR 829 Cb 0.18 -1.01 -0.08 0.00 -0.31 0.00 0.00 39.34 38.12 1udu n TYR 829 CO 0.00 0.00 0.00 1.05 -0.46 0.00 0.00 176.86 177.45 1udu h GLU 830 N -0.26 -1.04 -0.92 -0.72 4.11 -1.22 -1.73 114.58 112.80 1udu h GLU 830 Ca -0.60 0.07 0.26 0.00 0.07 0.00 0.00 59.36 59.16 1udu h GLU 830 Cb 1.83 0.24 -0.15 0.00 0.50 0.00 0.00 28.75 31.17 1udu h GLU 830 CO -0.17 -0.70 0.33 0.00 0.07 0.00 0.00 179.01 178.54 1udu h ALA 831 N -1.45 1.47 0.25 1.06 0.00 -1.48 0.05 119.26 119.17 1udu h ALA 831 Ca -0.11 0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1udu h ALA 831 Cb 0.83 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 1udu h ALA 831 CO 0.18 -0.50 -0.30 1.25 0.00 0.00 0.00 179.25 179.88 1udu h LEU 832 N 0.23 -0.83 -0.30 0.00 5.85 -1.53 -2.79 115.31 115.94 1udu h LEU 832 Ca 0.61 0.07 0.03 0.00 0.84 0.00 0.00 57.88 59.43 1udu h LEU 832 Cb 1.28 0.28 -0.04 0.00 0.37 0.00 0.00 40.66 42.56 1udu h LEU 832 CO -0.65 -0.38 -0.17 0.41 -0.34 0.00 0.00 178.44 177.31 1udu n THR 833 N -4.16 -0.20 -0.44 1.05 -1.04 -0.01 0.27 114.28 109.75 1udu n THR 833 Ca -0.07 0.73 0.37 0.00 -2.04 0.00 0.00 64.05 63.04 1udu n THR 833 Cb 0.26 -0.91 0.65 0.00 -1.82 0.00 0.00 70.33 68.52 1udu n THR 833 CO 0.00 0.00 0.00 0.45 -0.64 0.00 0.00 175.07 174.88 1udu h HIS 834 N 0.00 0.51 0.71 -1.42 3.86 -1.37 0.88 115.15 118.32 1udu h HIS 834 Ca 0.06 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.25 1udu h HIS 834 Cb 0.13 -0.13 0.01 0.00 1.06 0.00 0.00 27.41 28.48 1udu h HIS 834 CO -0.31 -0.19 -0.34 0.28 0.86 0.00 0.00 177.93 178.24 1udu h VAL 835 N 0.10 0.24 -3.10 2.45 2.07 0.37 -3.40 116.25 114.97 1udu h VAL 835 Ca 0.81 -0.15 -0.53 0.00 0.82 0.00 0.00 66.70 67.65 1udu h VAL 835 Cb 2.55 0.28 -0.40 0.00 -1.52 0.00 0.00 31.29 32.20 1udu h VAL 835 CO -0.40 0.02 -0.76 -0.55 0.02 0.00 0.00 177.57 175.89 1udu s SER 836 N -4.42 3.31 0.64 0.57 0.15 0.29 -5.00 113.70 109.24 1udu s SER 836 Ca -0.17 -1.14 0.25 0.00 0.70 0.00 0.00 55.95 55.60 1udu s SER 836 Cb 0.02 -0.57 1.36 0.00 -1.71 0.00 0.00 66.02 65.12 1udu s SER 836 CO 0.56 -0.37 1.76 -0.08 1.20 0.00 0.00 173.24 176.31 1udu h GLU 837 N 8.26 0.00 -0.05 5.44 4.57 -1.36 -1.29 114.58 130.15 1udu h GLU 837 Ca -0.16 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.02 1udu h GLU 837 Cb 1.07 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.66 1udu h GLU 837 CO 0.39 0.00 0.00 -0.25 -1.18 0.00 0.00 179.01 177.97 1udu n ASP 838 N -2.77 0.05 -0.35 1.04 8.00 -1.26 -2.39 116.55 118.88 1udu n ASP 838 Ca -0.02 -1.25 0.07 0.00 0.71 0.00 0.00 54.79 54.29 1udu n ASP 838 Cb 0.45 -0.02 0.01 0.00 -0.02 0.00 0.00 41.12 41.53 1udu n ASP 838 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1udu h PHE 840 N 1.71 0.64 -0.64 0.00 3.57 -1.70 0.43 116.94 120.94 1udu h PHE 840 Ca 0.00 0.03 0.19 0.00 3.53 0.00 0.00 57.97 61.71 1udu h PHE 840 Cb 0.47 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 39.01 1udu h PHE 840 CO 0.00 -0.09 0.72 -1.35 -2.23 0.00 0.00 178.31 175.36 1udu h PRO 841 N 0.25 0.00 0.00 6.41 0.11 -1.86 0.17 132.00 137.08 1udu h PRO 841 Ca 0.71 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.82 1udu h PRO 841 Cb 1.99 0.00 0.00 0.00 0.11 0.00 0.00 31.00 33.10 1udu h PRO 841 CO -0.40 0.00 -0.18 -0.07 -0.21 0.00 0.00 178.00 177.14 1udu h LEU 842 N 0.00 0.00 -1.62 2.35 3.38 -1.23 -2.85 115.31 115.34 1udu h LEU 842 Ca 0.30 0.00 0.31 0.00 0.09 0.00 0.00 57.88 58.59 1udu h LEU 842 Cb 1.74 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.45 1udu h LEU 842 CO -0.00 0.35 1.00 0.25 0.09 0.00 0.00 178.44 180.13 1udu h LEU 843 N -0.52 0.00 0.00 1.67 5.85 -1.46 -0.24 115.31 120.60 1udu h LEU 843 Ca 0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 1udu h LEU 843 Cb 0.18 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.21 1udu h LEU 843 CO 0.00 0.00 -0.22 -0.78 -0.34 0.00 0.00 178.44 177.10 1udu h ASP 844 N 0.00 0.00 -1.36 1.25 3.58 -0.83 -2.97 116.42 116.09 1udu h ASP 844 Ca 0.51 -0.01 0.41 0.00 0.42 0.00 0.00 57.03 58.36 1udu h ASP 844 Cb 2.50 0.00 -0.10 0.00 1.72 0.00 0.00 39.33 43.46 1udu h ASP 844 CO -0.01 0.62 0.92 1.23 -2.88 0.00 0.00 179.24 179.12 1udu h GLY 845 N -1.00 0.81 0.63 -0.78 0.00 -0.86 0.60 103.07 102.47 1udu h GLY 845 Ca -0.00 -0.09 -0.03 0.00 0.00 0.00 0.00 47.33 47.21 1udu h GLY 845 CO -0.00 -0.21 -0.30 0.00 0.00 0.00 0.00 176.54 176.03 1udu h ARG 847 N -0.93 0.00 0.00 0.00 3.08 0.18 0.98 114.38 117.68 1udu h ARG 847 Ca -0.09 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.92 1udu h ARG 847 Cb 0.65 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.69 1udu h ARG 847 CO 0.14 0.00 -0.19 0.87 -1.07 0.00 0.00 179.97 179.73 1udu h LYS 848 N 0.00 0.00 0.05 0.04 1.57 -0.25 -3.11 116.57 114.87 1udu h LYS 848 Ca 0.40 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.81 1udu h LYS 848 Cb 1.63 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.89 1udu h LYS 848 CO -0.00 0.19 -2.17 0.09 -0.57 0.00 0.00 179.45 176.99 1udu n ASN 849 N -3.27 1.60 -1.04 0.86 5.03 0.28 -4.09 115.26 114.63 1udu n ASN 849 Ca 0.01 0.10 0.00 0.00 0.87 0.00 0.00 54.58 55.56 1udu n ASN 849 Cb 0.46 -0.34 0.00 0.00 -1.02 0.00 0.00 39.78 38.88 1udu n ASN 849 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.26 174.29 1udu n ARG 850 N -3.24 0.87 0.00 3.52 0.63 0.18 -1.42 116.66 117.20 1udu n ARG 850 Ca -0.34 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.59 1udu n ARG 850 Cb 1.04 -1.07 0.00 0.00 0.45 0.00 0.00 32.46 32.89 1udu n ARG 850 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 1udu n GLN 851 N 0.63 0.00 -0.07 -0.14 6.02 -1.23 -4.43 117.38 118.16 1udu n GLN 851 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.86 1udu n GLN 851 Cb 0.43 -0.10 -0.14 0.00 1.02 0.00 0.00 30.24 31.45 1udu n GLN 851 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1udu n LYS 852 N 0.00 0.68 0.04 -1.09 4.76 -0.51 -3.36 118.16 118.68 1udu n LYS 852 Ca 0.00 0.15 -0.17 0.00 -2.87 0.00 0.00 58.31 55.42 1udu n LYS 852 Cb 0.05 -1.62 -0.07 0.00 -1.84 0.00 0.00 35.03 31.55 1udu n LYS 852 CO 0.00 0.00 0.00 -1.49 -1.37 0.00 0.00 177.40 174.54 1udu h TRP 853 N 0.01 0.91 0.00 2.13 -0.00 -1.76 -0.49 115.95 116.75 1udu h TRP 853 Ca -0.47 -0.47 -0.00 0.00 -0.00 0.00 0.00 58.89 57.95 1udu h TRP 853 Cb 2.07 -0.11 -0.00 0.00 -0.00 0.00 0.00 29.16 31.12 1udu h TRP 853 CO 0.02 1.30 -0.01 1.96 -0.00 0.00 0.00 178.44 181.70 1udu h GLN 854 N 0.38 0.00 0.00 0.49 1.08 -1.77 0.43 115.11 115.71 1udu h GLN 854 Ca -0.10 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.10 1udu h GLN 854 Cb 1.58 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.01 1udu h GLN 854 CO 0.18 0.01 -0.20 0.00 -0.95 0.00 0.00 178.83 177.87 1udu h ALA 855 N 1.99 0.00 -0.78 3.87 0.00 -1.49 -2.80 119.26 120.04 1udu h ALA 855 Ca -0.00 -0.21 0.17 0.00 0.00 0.00 0.00 54.91 54.87 1udu h ALA 855 Cb 0.30 0.20 -0.11 0.00 0.00 0.00 0.00 17.79 18.18 1udu h ALA 855 CO 0.00 0.20 0.27 -0.07 0.00 0.00 0.00 179.25 179.66 1udu h LEU 856 N -0.93 0.19 -1.00 0.00 3.38 -1.00 0.38 115.31 116.34 1udu h LEU 856 Ca 0.00 0.13 -0.10 0.00 0.09 0.00 0.00 57.88 58.00 1udu h LEU 856 Cb 0.20 0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1udu h LEU 856 CO 0.00 0.03 -0.49 0.00 0.09 0.00 0.00 178.44 178.07 1udu h ALA 857 N 1.61 1.17 0.00 1.53 0.00 -0.30 -2.96 119.26 120.31 1udu h ALA 857 Ca 0.45 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1udu h ALA 857 Cb 0.76 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1udu h ALA 857 CO -0.48 0.62 0.00 -1.91 0.00 0.00 0.00 179.25 177.48 1udu n GLU 858 N -3.96 0.46 -0.33 0.00 4.07 0.12 -1.62 120.64 119.38 1udu n GLU 858 Ca -0.02 0.00 0.07 0.00 -0.06 0.00 0.00 57.16 57.15 1udu n GLU 858 Cb 0.51 -1.13 0.12 0.00 -0.06 0.00 0.00 31.44 30.88 1udu n GLU 858 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11 1udu n GLN 859 N -0.07 1.01 0.00 5.31 6.02 -1.12 -5.06 117.38 123.47 1udu n GLN 859 Ca 0.00 -2.36 0.04 0.00 -0.01 0.00 0.00 57.00 54.66 1udu n GLN 859 Cb 0.06 -1.23 0.03 0.00 1.02 0.00 0.00 30.24 30.12 1udu n GLN 859 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09