#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 0.30 -0.08 -0.78 1.74 -1.26 -1.90 116.66 114.68 1udu n ARG 538 Ca 0.00 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 57.00 1udu n ARG 538 Cb 0.00 -1.28 -0.03 0.00 -1.02 0.00 0.00 32.46 30.13 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 -0.78 0.46 0.13 5.56 2.13 -1.26 -4.26 120.64 122.62 1udu n GLU 539 Ca 0.04 0.18 -0.13 0.00 0.66 0.00 0.00 57.16 57.91 1udu n GLU 539 Cb 0.02 -1.31 -0.06 0.00 0.27 0.00 0.00 31.44 30.36 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 -0.88 -0.80 -0.99 4.31 5.85 -1.87 -1.87 115.31 119.07 1udu h LEU 540 Ca 0.00 0.09 0.16 0.00 0.84 0.00 0.00 57.88 58.97 1udu h LEU 540 Cb 0.88 0.30 -0.16 0.00 0.37 0.00 0.00 40.66 42.04 1udu h LEU 540 CO 0.00 -0.38 -0.37 0.00 -0.34 0.00 0.00 178.44 177.35 1udu n GLN 541 N -5.39 -0.22 0.00 1.25 6.02 -0.80 0.11 117.38 118.35 1udu n GLN 541 Ca -0.07 1.53 0.00 0.00 -0.01 0.00 0.00 57.00 58.45 1udu n GLN 541 Cb 0.30 -2.27 0.00 0.00 1.02 0.00 0.00 30.24 29.30 1udu n GLN 541 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1udu n SER 542 N -5.47 0.00 0.17 1.08 2.88 -0.90 0.34 113.62 111.71 1udu n SER 542 Ca 0.11 0.83 0.18 0.00 -1.33 0.00 0.00 58.87 58.66 1udu n SER 542 Cb 0.41 -0.33 0.74 0.00 -0.75 0.00 0.00 64.21 64.27 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 0.34 2.46 6.46 -0.80 -0.74 115.31 123.04 1udu h LEU 543 Ca 0.00 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.74 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 -0.16 0.00 -0.62 0.00 0.00 178.44 177.66 1udu h ALA 544 N 1.35 -0.46 -0.57 1.25 0.00 0.16 -3.32 119.26 117.68 1udu h ALA 544 Ca 0.13 -0.16 -0.48 0.00 0.00 0.00 0.00 54.91 54.40 1udu h ALA 544 Cb 1.04 0.18 -0.18 0.00 0.00 0.00 0.00 17.79 18.83 1udu h ALA 544 CO -0.00 -0.47 0.45 0.00 0.00 0.00 0.00 179.25 179.23 1udu n ALA 545 N -2.66 6.17 -2.59 0.00 0.00 0.15 -4.86 120.51 116.72 1udu n ALA 545 Ca -0.08 -2.82 0.00 0.00 0.00 0.00 0.00 53.44 50.55 1udu n ALA 545 Cb 0.24 -1.96 0.00 0.00 0.00 0.00 0.00 19.45 17.74 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 0.61 0.00 -3.38 0.00 0.00 -1.08 -4.96 120.51 111.71 1udu n ALA 546 Ca 0.46 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.77 1udu n ALA 546 Cb 0.55 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.91 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 4.06 -0.52 -0.56 0.00 1.01 -1.26 -5.10 120.40 118.03 1udu s VAL 547 Ca 0.00 -0.22 -0.27 0.00 0.00 0.00 0.00 61.98 61.49 1udu s VAL 547 Cb 0.00 -0.87 -0.00 0.00 0.00 0.00 0.00 36.38 35.51 1udu s VAL 547 CO 0.00 -0.25 1.62 0.68 0.00 0.00 0.00 175.10 177.15 1udu s VAL 548 N 2.47 3.58 0.00 2.92 -7.23 -1.26 -4.95 120.40 115.93 1udu s VAL 548 Ca 0.10 0.45 0.00 0.00 -1.81 0.00 0.00 61.98 60.73 1udu s VAL 548 Cb -0.15 -4.18 0.00 0.00 0.56 0.00 0.00 36.38 32.61 1udu s VAL 548 CO -0.22 -1.02 0.00 -2.65 -0.31 0.00 0.00 175.10 170.90 1udu n PRO 549 N 8.88 0.00 -3.58 4.82 -0.02 -1.26 -5.00 135.00 138.84 1udu n PRO 549 Ca 0.16 0.00 -0.06 0.00 -2.02 0.00 0.00 63.50 61.58 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 -2.39 -0.24 0.45 2.55 1.04 -1.26 -4.94 113.70 108.91 1udu s SER 550 Ca 0.00 -0.07 0.26 0.00 0.48 0.00 0.00 55.95 56.62 1udu s SER 550 Cb 0.00 0.31 1.42 0.00 0.10 0.00 0.00 66.02 67.85 1udu s SER 550 CO 0.00 -0.52 1.78 0.00 0.98 0.00 0.00 173.24 175.47 1udu h ALA 551 N 2.00 1.09 0.00 5.32 0.00 -1.94 0.12 119.26 125.85 1udu h ALA 551 Ca -0.19 0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.35 1udu h ALA 551 Cb 1.21 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.94 1udu h ALA 551 CO 0.28 -0.09 -2.33 0.94 0.00 0.00 0.00 179.25 178.05 1udu n GLN 552 N -2.48 0.55 -0.11 0.00 7.27 -1.26 -2.40 117.38 118.94 1udu n GLN 552 Ca -0.02 0.16 -0.00 0.00 0.07 0.00 0.00 57.00 57.22 1udu n GLN 552 Cb 0.15 -1.43 0.27 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 -0.29 1.19 -0.00 1.69 2.02 -1.82 -2.22 112.91 113.48 1udu h THR 553 Ca -0.55 -0.55 0.00 0.00 0.77 0.00 0.00 66.41 66.08 1udu h THR 553 Cb 1.71 0.50 0.00 0.00 -1.74 0.00 0.00 68.15 68.62 1udu h THR 553 CO -0.18 0.22 -0.50 0.18 0.37 0.00 0.00 175.52 175.62 1udu n LEU 554 N -4.36 0.93 -3.54 2.58 4.77 -0.01 -4.92 117.00 112.45 1udu n LEU 554 Ca 0.05 -0.25 -0.24 0.00 -0.03 0.00 0.00 56.01 55.53 1udu n LEU 554 Cb 0.14 -0.14 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 1udu n LEU 554 CO 0.38 0.20 -0.06 0.29 -1.33 0.00 0.00 177.39 176.86 1udu n LYS 555 N -1.05 -2.50 0.00 3.23 5.02 -0.84 -4.76 118.16 117.27 1udu n LYS 555 Ca 0.08 0.27 0.00 0.00 -2.02 0.00 0.00 58.31 56.63 1udu n LYS 555 Cb 0.35 -4.89 0.00 0.00 -0.02 0.00 0.00 35.03 30.48 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 -3.66 0.00 -1.09 -0.18 -5.35 -1.01 -3.68 119.36 104.39 1udu n ILE 556 Ca 0.03 0.00 0.04 0.00 -0.27 0.00 0.00 62.75 62.55 1udu n ILE 556 Cb 0.50 -0.20 0.26 0.00 -1.74 0.00 0.00 39.64 38.47 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 -0.30 2.47 -4.01 7.28 -1.04 -1.25 -4.61 114.28 112.82 1udu n THR 557 Ca 0.00 -1.99 -0.17 0.00 -2.04 0.00 0.00 64.05 59.84 1udu n THR 557 Cb 0.08 -0.29 -0.16 0.00 -1.82 0.00 0.00 70.33 68.15 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 -1.86 0.54 0.43 8.00 3.84 -1.24 -4.71 116.67 121.65 1udu s ASP 558 Ca 0.45 -0.06 0.13 0.00 -0.00 0.00 0.00 52.55 53.08 1udu s ASP 558 Cb 0.37 -0.25 0.72 0.00 -1.38 0.00 0.00 42.92 42.38 1udu s ASP 558 CO 0.08 -0.07 1.31 -0.26 -0.00 0.00 0.00 175.17 176.23 1udu h PHE 559 N 7.06 0.00 -0.02 2.11 -1.00 -1.94 1.73 116.94 124.89 1udu h PHE 559 Ca -0.40 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.38 1udu h PHE 559 Cb 1.15 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.71 1udu h PHE 559 CO 0.49 0.00 -0.22 0.43 -1.61 0.00 0.00 178.31 177.40 1udu n SER 560 N -2.22 1.94 -4.77 2.17 7.64 -1.26 -4.75 113.62 112.38 1udu n SER 560 Ca -0.01 -1.49 -0.38 0.00 1.01 0.00 0.00 58.87 58.00 1udu n SER 560 Cb 0.47 0.19 -0.00 0.00 -1.01 0.00 0.00 64.21 63.86 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 -2.28 2.79 0.08 1.43 5.36 0.59 -4.87 117.98 121.08 1udu s PHE 561 Ca 0.26 1.47 0.03 0.00 -0.96 0.00 0.00 56.93 57.73 1udu s PHE 561 Cb 0.19 -3.54 -0.03 0.00 -0.34 0.00 0.00 43.02 39.30 1udu s PHE 561 CO 0.45 -1.88 -0.08 0.45 -1.46 0.00 0.00 175.22 172.70 1udu s SER 562 N -1.07 1.17 0.07 6.13 0.15 -1.26 -5.04 113.70 113.85 1udu s SER 562 Ca 0.62 -0.81 -0.05 0.00 0.70 0.00 0.00 55.95 56.41 1udu s SER 562 Cb -0.34 0.05 -0.29 0.00 -1.71 0.00 0.00 66.02 63.73 1udu s SER 562 CO 0.42 -0.32 1.12 -2.24 1.20 0.00 0.00 173.24 173.41 1udu h ASP 563 N 3.60 0.46 -0.38 5.45 3.04 -1.93 -3.40 116.42 123.26 1udu h ASP 563 Ca -0.36 -0.49 0.11 0.00 -3.24 0.00 0.00 57.03 53.04 1udu h ASP 563 Cb 1.18 -0.15 -0.07 0.00 -1.04 0.00 0.00 39.33 39.25 1udu h ASP 563 CO 0.54 1.39 0.03 0.33 -2.04 0.00 0.00 179.24 179.48 1udu n PHE 564 N -3.54 0.26 -0.03 4.15 7.35 -1.26 -2.13 117.46 122.26 1udu n PHE 564 Ca -0.09 0.45 -0.10 0.00 -0.76 0.00 0.00 57.45 56.95 1udu n PHE 564 Cb 1.03 -0.80 -0.09 0.00 0.35 0.00 0.00 39.48 39.98 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 -0.06 -6.86 -4.13 4.39 -2.04 -3.47 114.58 102.41 1udu h GLU 565 Ca 0.24 0.00 -0.49 0.00 0.34 0.00 0.00 59.36 59.46 1udu h GLU 565 Cb 0.51 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.17 1udu h GLU 565 CO -0.35 0.54 0.39 -0.48 -1.16 0.00 0.00 179.01 177.95 1udu s LEU 566 N -8.56 4.41 0.99 1.33 2.34 -0.90 -5.06 118.68 113.23 1udu s LEU 566 Ca -0.13 2.02 -0.12 0.00 0.06 0.00 0.00 54.13 55.96 1udu s LEU 566 Cb -0.01 -3.88 0.19 0.00 -0.56 0.00 0.00 46.19 41.93 1udu s LEU 566 CO 0.48 -0.14 1.09 -0.94 -1.06 0.00 0.00 176.35 175.77 1udu s SER 567 N -1.33 2.61 0.08 1.48 1.04 -1.26 -4.76 113.70 111.56 1udu s SER 567 Ca 0.49 1.33 -0.33 0.00 0.48 0.00 0.00 55.95 57.91 1udu s SER 567 Cb -0.24 -2.01 -0.16 0.00 0.10 0.00 0.00 66.02 63.71 1udu s SER 567 CO 0.31 -3.16 1.52 0.44 0.98 0.00 0.00 173.24 173.33 1udu h ASP 568 N -1.91 -1.34 -0.55 7.02 3.45 -1.97 -1.82 116.42 119.29 1udu h ASP 568 Ca -0.54 0.11 0.14 0.00 0.43 0.00 0.00 57.03 57.18 1udu h ASP 568 Cb 1.32 0.45 -0.10 0.00 -0.56 0.00 0.00 39.33 40.44 1udu h ASP 568 CO 0.55 -0.61 -0.03 -0.11 -1.57 0.00 0.00 179.24 177.48 1udu n LEU 569 N -5.31 -0.10 -0.16 1.55 7.94 -1.26 0.20 117.00 119.86 1udu n LEU 569 Ca -0.11 0.94 -0.11 0.00 -1.11 0.00 0.00 56.01 55.63 1udu n LEU 569 Cb 0.42 -0.33 0.01 0.00 0.53 0.00 0.00 43.42 44.06 1udu n LEU 569 CO 0.23 -0.94 0.70 -0.33 -1.11 0.00 0.00 177.39 175.94 1udu h GLU 570 N 0.00 0.99 0.00 1.96 5.08 -1.70 -1.53 114.58 119.38 1udu h GLU 570 Ca 0.31 -0.40 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1udu h GLU 570 Cb 0.61 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1udu h GLU 570 CO -0.53 1.08 0.00 0.25 -1.00 0.00 0.00 179.01 178.81 1udu n THR 571 N -4.12 0.00 -0.13 1.13 -2.24 0.53 -0.50 114.28 108.95 1udu n THR 571 Ca 0.01 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.58 1udu n THR 571 Cb 0.44 -0.72 -0.11 0.00 -2.10 0.00 0.00 70.33 67.84 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 -0.87 1.41 -0.11 6.98 0.00 -0.60 -3.72 120.51 123.59 1udu n ALA 572 Ca 0.05 -1.06 -0.11 0.00 0.00 0.00 0.00 53.44 52.32 1udu n ALA 572 Cb 0.02 -0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.44 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 -0.29 0.59 0.04 0.00 3.38 -0.72 0.59 115.31 118.89 1udu h LEU 573 Ca -0.59 -0.32 -0.00 0.00 0.09 0.00 0.00 57.88 57.05 1udu h LEU 573 Cb 1.78 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 42.37 1udu h LEU 573 CO -0.19 0.77 -0.03 0.00 0.09 0.00 0.00 178.44 179.08 1udu n THR 575 N -2.40 -0.39 -0.31 0.00 -1.04 -1.21 0.26 114.28 109.19 1udu n THR 575 Ca -0.01 2.12 0.01 0.00 -2.04 0.00 0.00 64.05 64.13 1udu n THR 575 Cb 0.03 -2.95 0.14 0.00 -1.82 0.00 0.00 70.33 65.73 1udu n THR 575 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 1udu h ILE 576 N 0.00 1.04 0.07 12.58 2.04 -0.71 -0.52 117.51 132.01 1udu h ILE 576 Ca 0.46 -0.33 -0.00 0.00 1.00 0.00 0.00 64.86 65.98 1udu h ILE 576 Cb 0.73 -0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.79 1udu h ILE 576 CO -0.95 0.18 -0.03 -0.09 0.00 0.00 0.00 178.15 177.25 1udu h ARG 577 N 0.97 -0.09 -0.95 2.37 9.65 0.62 -1.25 114.38 125.70 1udu h ARG 577 Ca 0.38 0.01 0.13 0.00 -1.10 0.00 0.00 59.98 59.39 1udu h ARG 577 Cb 0.17 0.02 -0.14 0.00 -1.39 0.00 0.00 29.97 28.63 1udu h ARG 577 CO -0.17 -0.03 -0.46 0.52 2.80 0.00 0.00 179.97 182.63 1udu h MET 578 N -0.13 -0.02 -0.02 0.20 2.86 0.16 0.79 114.93 118.76 1udu h MET 578 Ca -0.01 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.65 1udu h MET 578 Cb 0.11 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.75 1udu h MET 578 CO 0.02 -0.02 -0.06 0.74 1.06 0.00 0.00 176.91 178.65 1udu h PHE 579 N -0.02 -0.15 0.00 -0.22 -1.00 -1.07 -2.85 116.94 111.63 1udu h PHE 579 Ca 0.27 0.01 0.00 0.00 2.81 0.00 0.00 57.97 61.06 1udu h PHE 579 Cb 0.53 0.07 0.00 0.00 3.61 0.00 0.00 35.95 40.17 1udu h PHE 579 CO -0.91 -0.10 0.00 2.41 -1.61 0.00 0.00 178.31 178.11 1udu n THR 580 N -5.18 0.00 0.17 -1.55 -1.04 0.23 -1.47 114.28 105.44 1udu n THR 580 Ca -0.06 1.49 0.00 0.00 -2.04 0.00 0.00 64.05 63.44 1udu n THR 580 Cb 0.11 -2.35 0.00 0.00 -1.82 0.00 0.00 70.33 66.27 1udu n THR 580 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1udu n ASP 581 N -2.25 0.04 -0.04 8.00 10.43 0.14 0.22 116.55 133.07 1udu n ASP 581 Ca 0.00 -0.21 0.02 0.00 2.57 0.00 0.00 54.79 57.17 1udu n ASP 581 Cb 0.00 -0.02 -0.01 0.00 1.84 0.00 0.00 41.12 42.93 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 -0.17 0.48 -0.02 0.64 4.77 -0.54 -5.01 117.00 117.15 1udu n LEU 582 Ca 0.00 -0.61 -0.00 0.00 -0.03 0.00 0.00 56.01 55.37 1udu n LEU 582 Cb 0.01 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.10 1udu n LEU 582 CO 0.00 0.11 -0.00 0.59 -1.33 0.00 0.00 177.39 176.76 1udu n ASN 583 N -0.79 -3.13 -0.04 -1.43 5.03 0.13 -4.95 115.26 110.08 1udu n ASN 583 Ca 0.01 0.01 -0.15 0.00 0.87 0.00 0.00 54.58 55.32 1udu n ASN 583 Cb 0.08 -0.65 -0.08 0.00 -1.02 0.00 0.00 39.78 38.12 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 0.56 -0.67 3.41 3.38 -1.62 -2.57 115.31 117.80 1udu h LEU 584 Ca -0.00 -0.60 -0.09 0.00 0.09 0.00 0.00 57.88 57.27 1udu h LEU 584 Cb 0.05 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 1udu h LEU 584 CO 0.01 1.06 0.00 0.58 0.09 0.00 0.00 178.44 180.18 1udu h VAL 585 N 0.09 1.26 -0.08 1.22 2.07 -1.86 -2.81 116.25 116.14 1udu h VAL 585 Ca -0.01 -1.13 -0.11 0.00 0.82 0.00 0.00 66.70 66.26 1udu h VAL 585 Cb 1.01 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 31.59 1udu h VAL 585 CO 0.08 0.41 -0.37 -0.61 0.02 0.00 0.00 177.57 177.10 1udu h GLN 586 N 0.94 0.40 0.26 1.57 5.75 -1.91 0.17 115.11 122.29 1udu h GLN 586 Ca 0.17 -0.32 -0.01 0.00 -0.15 0.00 0.00 58.65 58.34 1udu h GLN 586 Cb 0.54 0.06 0.00 0.00 1.07 0.00 0.00 27.48 29.16 1udu h GLN 586 CO 0.03 0.95 -0.12 -0.91 -2.65 0.00 0.00 178.83 176.13 1udu h ASN 587 N -0.06 -0.29 -0.47 -0.69 2.35 -1.57 -3.23 115.58 111.62 1udu h ASN 587 Ca -0.02 -0.23 -0.22 0.00 -0.55 0.00 0.00 56.30 55.28 1udu h ASN 587 Cb 1.02 0.08 -0.13 0.00 0.05 0.00 0.00 38.32 39.33 1udu h ASN 587 CO 0.08 0.19 0.28 0.49 -1.65 0.00 0.00 177.43 176.81 1udu n PHE 588 N -5.03 1.46 -2.72 1.19 0.99 -1.06 -4.92 117.46 107.37 1udu n PHE 588 Ca -0.08 -1.04 0.00 0.00 -0.00 0.00 0.00 57.45 56.33 1udu n PHE 588 Cb 0.26 -0.55 0.00 0.00 -1.00 0.00 0.00 39.48 38.18 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 -0.22 -0.80 -2.04 -1.08 6.02 -0.32 -4.77 117.38 114.17 1udu n GLN 589 Ca 0.27 -0.36 -0.42 0.00 -0.01 0.00 0.00 57.00 56.48 1udu n GLN 589 Cb 1.03 0.64 -0.03 0.00 1.02 0.00 0.00 30.24 32.91 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 -3.62 4.25 0.08 -1.09 -1.94 0.43 -4.92 119.30 112.49 1udu s MET 590 Ca 0.00 2.21 -0.31 0.00 -1.71 0.00 0.00 55.69 55.89 1udu s MET 590 Cb 0.00 -3.34 -0.09 0.00 2.01 0.00 0.00 34.83 33.40 1udu s MET 590 CO 0.00 -0.58 1.85 0.21 -0.01 0.00 0.00 175.02 176.49 1udu s LYS 591 N 1.66 4.15 0.00 2.03 2.36 -1.26 -4.88 119.74 123.79 1udu s LYS 591 Ca 0.68 2.56 0.00 0.00 -2.55 0.00 0.00 55.97 56.66 1udu s LYS 591 Cb -0.39 -3.81 0.00 0.00 -1.05 0.00 0.00 37.83 32.58 1udu s LYS 591 CO 0.31 -0.87 0.96 1.58 1.55 0.00 0.00 175.35 178.87 1udu n HIS 592 N 6.39 0.00 0.33 4.03 -0.00 -1.26 -1.02 115.22 123.69 1udu n HIS 592 Ca 0.18 0.00 0.06 0.00 -0.00 0.00 0.00 57.72 57.96 1udu n HIS 592 Cb 0.40 -0.46 0.33 0.00 -0.00 0.00 0.00 29.99 30.26 1udu n HIS 592 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 176.34 177.83 1udu h GLU 593 N 0.00 0.00 0.00 1.57 4.81 -1.94 0.42 114.58 119.44 1udu h GLU 593 Ca 0.00 0.00 -0.30 0.00 -0.13 0.00 0.00 59.36 58.93 1udu h GLU 593 Cb 0.00 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.32 1udu h GLU 593 CO 0.00 0.00 -2.14 0.28 -0.73 0.00 0.00 179.01 176.42 1udu n VAL 594 N -2.65 1.29 -0.15 0.32 0.31 -0.19 -2.16 118.33 115.10 1udu n VAL 594 Ca -0.01 -0.80 -0.00 0.00 -0.01 0.00 0.00 64.34 63.52 1udu n VAL 594 Cb 0.75 -0.55 0.24 0.00 -0.91 0.00 0.00 33.84 33.37 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 0.78 0.00 7.52 6.46 0.20 0.27 115.31 130.53 1udu h LEU 595 Ca -0.42 -0.07 -0.24 0.00 -0.12 0.00 0.00 57.88 57.04 1udu h LEU 595 Cb 2.03 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 41.75 1udu h LEU 595 CO 0.04 0.65 -1.08 0.00 -0.62 0.00 0.00 178.44 177.42 1udu h ARG 597 N 0.05 0.00 0.00 0.00 2.43 -0.99 -2.31 114.38 113.56 1udu h ARG 597 Ca -0.07 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1udu h ARG 597 Cb 1.81 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.36 1udu h ARG 597 CO 0.16 0.73 0.00 1.87 -1.51 0.00 0.00 179.97 181.23 1udu n TRP 598 N -3.59 0.00 -0.31 2.20 -0.00 0.90 -2.33 117.44 114.31 1udu n TRP 598 Ca -0.01 0.00 -0.04 0.00 -0.00 0.00 0.00 57.50 57.45 1udu n TRP 598 Cb 0.73 -0.22 -0.02 0.00 -0.00 0.00 0.00 31.31 31.80 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 -1.15 -0.46 -0.16 5.87 5.41 -0.44 0.90 119.36 129.34 1udu n ILE 599 Ca 0.00 1.81 -0.02 0.00 1.00 0.00 0.00 62.75 65.54 1udu n ILE 599 Cb 0.00 -2.31 0.07 0.00 -0.71 0.00 0.00 39.64 36.68 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 -0.07 0.23 1.39 3.38 -1.55 1.02 115.31 119.71 1udu h LEU 600 Ca 0.19 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.26 1udu h LEU 600 Cb 0.38 0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 1udu h LEU 600 CO -0.73 -0.01 -0.17 -1.28 0.09 0.00 0.00 178.44 176.34 1udu h SER 601 N 0.20 -0.46 -0.74 -0.43 0.87 0.92 0.75 113.55 114.66 1udu h SER 601 Ca 0.25 0.03 0.22 0.00 -1.23 0.00 0.00 61.79 61.06 1udu h SER 601 Cb 0.36 0.14 -0.14 0.00 -0.44 0.00 0.00 62.40 62.32 1udu h SER 601 CO -0.36 -0.25 0.07 0.52 -0.53 0.00 0.00 176.83 176.28 1udu n VAL 602 N -3.35 -0.31 0.00 2.23 0.31 0.17 -1.38 118.33 116.00 1udu n VAL 602 Ca -0.05 1.60 0.00 0.00 -0.01 0.00 0.00 64.34 65.89 1udu n VAL 602 Cb 0.17 -2.38 0.00 0.00 -0.91 0.00 0.00 33.84 30.72 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 -4.96 0.00 0.32 5.55 4.81 0.34 -3.51 118.16 120.70 1udu n LYS 603 Ca 0.19 0.33 0.04 0.00 -0.87 0.00 0.00 58.31 58.00 1udu n LYS 603 Cb 0.62 -1.14 0.22 0.00 0.02 0.00 0.00 35.03 34.76 1udu n LYS 603 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 1udu h LYS 604 N 0.00 0.00 -1.11 1.64 3.64 -0.19 0.45 116.57 121.00 1udu h LYS 604 Ca 0.00 0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 59.09 1udu h LYS 604 Cb 0.00 0.00 -0.16 0.00 -0.41 0.00 0.00 32.23 31.66 1udu h LYS 604 CO 0.00 0.00 0.37 -1.71 -2.27 0.00 0.00 179.45 175.84 1udu n ASN 605 N -2.54 4.14 -4.16 4.20 5.15 -0.48 -4.81 115.26 116.76 1udu n ASN 605 Ca -0.01 -2.90 -0.14 0.00 -0.60 0.00 0.00 54.58 50.93 1udu n ASN 605 Cb 0.80 -0.76 -0.11 0.00 -0.53 0.00 0.00 39.78 39.18 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 -1.77 0.99 -0.17 1.20 1.51 0.16 -4.74 117.35 114.53 1udu s TYR 606 Ca 0.30 -0.64 -0.04 0.00 -1.01 0.00 0.00 57.07 55.68 1udu s TYR 606 Cb 0.25 -0.55 -0.02 0.00 -0.11 0.00 0.00 41.96 41.53 1udu s TYR 606 CO 0.04 -0.02 -0.03 1.03 -1.11 0.00 0.00 175.55 175.46 1udu s ARG 607 N -2.63 3.61 -0.05 -0.62 0.52 -1.26 -4.93 118.95 113.59 1udu s ARG 607 Ca 0.03 -0.54 0.06 0.00 -0.52 0.00 0.00 55.73 54.76 1udu s ARG 607 Cb -0.04 -2.96 0.26 0.00 0.52 0.00 0.00 34.95 32.74 1udu s ARG 607 CO -0.00 0.12 1.05 1.17 0.02 0.00 0.00 175.30 177.66 1udu n LYS 608 N 3.89 2.03 0.03 3.54 4.81 -1.26 -3.46 118.16 127.73 1udu n LYS 608 Ca -0.17 -1.03 -0.22 0.00 -0.87 0.00 0.00 58.31 56.02 1udu n LYS 608 Cb 0.52 -1.52 -0.14 0.00 0.02 0.00 0.00 35.03 33.91 1udu n LYS 608 CO 0.00 0.00 0.00 -0.91 1.17 0.00 0.00 177.40 177.66 1udu h ASN 609 N 1.46 0.48 -4.20 3.14 -0.26 -1.95 -3.46 115.58 110.77 1udu h ASN 609 Ca 0.00 -0.93 -0.50 0.00 -0.56 0.00 0.00 56.30 54.31 1udu h ASN 609 Cb 0.72 -0.16 0.09 0.00 -1.06 0.00 0.00 38.32 37.91 1udu h ASN 609 CO 0.10 1.82 0.37 -0.69 -1.06 0.00 0.00 177.43 177.97 1udu s VAL 610 N -2.57 3.48 -0.37 2.81 1.01 -1.23 -4.96 120.40 118.58 1udu s VAL 610 Ca -0.20 0.68 0.07 0.00 0.00 0.00 0.00 61.98 62.53 1udu s VAL 610 Cb 0.06 -3.21 0.62 0.00 0.00 0.00 0.00 36.38 33.85 1udu s VAL 610 CO 0.80 -0.43 1.74 0.00 0.00 0.00 0.00 175.10 177.20 1udu n ALA 611 N -2.31 4.94 0.10 5.51 0.00 -1.26 -4.65 120.51 122.84 1udu n ALA 611 Ca 0.10 -2.88 0.00 0.00 0.00 0.00 0.00 53.44 50.66 1udu n ALA 611 Cb 0.52 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.81 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 -0.98 -3.30 -0.68 0.00 9.36 -1.26 -3.83 117.16 116.47 1udu n TYR 612 Ca 0.47 0.70 -0.17 0.00 3.32 0.00 0.00 57.90 62.22 1udu n TYR 612 Cb 1.40 1.99 -0.04 0.00 -0.63 0.00 0.00 39.34 42.05 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 -3.08 0.91 -4.21 2.98 8.25 -1.26 -4.03 115.22 114.79 1udu n HIS 613 Ca 0.00 -1.60 -0.25 0.00 -0.26 0.00 0.00 57.72 55.62 1udu n HIS 613 Cb 0.00 -1.48 -0.08 0.00 1.12 0.00 0.00 29.99 29.56 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 3.07 4.36 0.33 0.41 2.20 -1.26 -4.72 114.94 119.34 1udu s ASN 614 Ca 0.39 -1.05 0.11 0.00 -0.94 0.00 0.00 52.86 51.37 1udu s ASN 614 Cb 0.13 -0.51 1.02 0.00 -2.00 0.00 0.00 41.25 39.88 1udu s ASN 614 CO -0.02 -0.44 1.59 -0.25 -2.94 0.00 0.00 177.10 175.04 1udu h TRP 615 N 1.55 0.43 0.00 1.54 -0.00 -1.85 1.57 115.95 119.19 1udu h TRP 615 Ca -0.43 0.05 0.00 0.00 -0.00 0.00 0.00 58.89 58.51 1udu h TRP 615 Cb 1.25 -0.02 0.00 0.00 -0.00 0.00 0.00 29.16 30.39 1udu h TRP 615 CO 0.65 -0.41 0.00 0.54 -0.00 0.00 0.00 178.44 179.22 1udu n ARG 616 N -5.33 0.10 -0.08 2.65 5.12 -1.26 -1.12 116.66 116.73 1udu n ARG 616 Ca 0.30 0.09 -0.18 0.00 -1.93 0.00 0.00 57.85 56.13 1udu n ARG 616 Cb 0.98 -1.50 -0.13 0.00 -1.16 0.00 0.00 32.46 30.65 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 -1.11 0.43 -0.05 -1.55 -0.00 0.53 -3.55 115.22 109.93 1udu n HIS 617 Ca 0.03 0.10 -0.11 0.00 0.46 0.00 0.00 57.72 58.19 1udu n HIS 617 Cb 0.02 -1.06 -0.05 0.00 -0.12 0.00 0.00 29.99 28.78 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 0.15 0.22 -0.04 1.57 0.00 -1.10 -2.14 119.26 117.91 1udu h ALA 618 Ca -0.52 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 54.31 1udu h ALA 618 Cb 1.97 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 19.65 1udu h ALA 618 CO -0.02 -0.18 -0.23 0.35 0.00 0.00 0.00 179.25 179.17 1udu h PHE 619 N 0.11 -0.61 0.00 0.00 3.57 -1.54 0.85 116.94 119.32 1udu h PHE 619 Ca 0.06 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.58 1udu h PHE 619 Cb 0.19 0.28 0.00 0.00 2.79 0.00 0.00 35.95 39.21 1udu h PHE 619 CO -0.01 -0.31 0.00 0.09 -2.23 0.00 0.00 178.31 175.85 1udu n ASN 620 N -5.36 0.00 -0.05 0.41 5.03 -1.15 -0.40 115.26 113.74 1udu n ASN 620 Ca -0.04 0.48 -0.00 0.00 0.87 0.00 0.00 54.58 55.88 1udu n ASN 620 Cb 0.27 -0.49 -0.13 0.00 -1.02 0.00 0.00 39.78 38.41 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 -1.49 0.61 0.01 3.41 -1.04 -0.45 -3.08 114.28 112.26 1udu n THR 621 Ca 0.02 -0.56 -0.18 0.00 -2.04 0.00 0.00 64.05 61.28 1udu n THR 621 Cb 0.07 -0.27 -0.10 0.00 -1.82 0.00 0.00 70.33 68.21 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 1.15 0.13 -0.85 2.41 0.00 0.12 -1.51 119.26 120.71 1udu h ALA 622 Ca -0.24 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.05 1udu h ALA 622 Cb 1.46 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.29 1udu h ALA 622 CO 0.01 0.51 0.00 0.94 0.00 0.00 0.00 179.25 180.72 1udu n GLN 623 N -4.06 0.00 0.12 0.00 0.00 0.46 0.16 117.38 114.07 1udu n GLN 623 Ca -0.10 0.42 0.04 0.00 -0.00 0.00 0.00 57.00 57.36 1udu n GLN 623 Cb 0.75 -1.36 0.19 0.00 0.00 0.00 0.00 30.24 29.82 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 0.00 0.00 0.00 1.85 -0.04 -3.18 114.93 113.56 1udu h MET 625 Ca 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.09 1udu h MET 625 Cb 0.81 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.84 1udu h MET 625 CO 0.00 0.60 0.01 0.34 -0.40 0.00 0.00 176.91 177.46 1udu n PHE 626 N -4.63 0.00 -0.06 1.39 7.35 0.72 -2.60 117.46 119.62 1udu n PHE 626 Ca -0.10 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.51 1udu n PHE 626 Cb 0.35 -0.42 -0.07 0.00 0.35 0.00 0.00 39.48 39.69 1udu n PHE 626 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1udu n ALA 627 N -1.42 1.71 0.89 3.13 0.00 -0.45 -3.82 120.51 120.56 1udu n ALA 627 Ca 0.00 -0.65 0.10 0.00 0.00 0.00 0.00 53.44 52.89 1udu n ALA 627 Cb 0.01 0.11 0.49 0.00 0.00 0.00 0.00 19.45 20.06 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 2.03 -0.05 0.00 0.00 -1.15 -2.46 120.51 116.20 1udu n ALA 628 Ca -0.22 -0.09 -0.19 0.00 0.00 0.00 0.00 53.44 52.95 1udu n ALA 628 Cb 0.80 -1.33 -0.13 0.00 0.00 0.00 0.00 19.45 18.79 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 0.13 0.00 0.00 5.85 -1.68 -3.25 115.31 116.36 1udu h LEU 629 Ca 0.00 -0.82 0.00 0.00 0.84 0.00 0.00 57.88 57.90 1udu h LEU 629 Cb 0.25 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.23 1udu h LEU 629 CO 0.00 1.32 0.00 0.29 -0.34 0.00 0.00 178.44 179.71 1udu n LYS 630 N -4.36 0.00 0.00 1.25 4.76 -1.11 0.12 118.16 118.82 1udu n LYS 630 Ca -0.20 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.24 1udu n LYS 630 Cb 0.67 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.86 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 0.03 0.27 7.82 0.00 -1.03 0.28 120.51 124.88 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 -0.02 0.02 0.00 0.00 0.00 0.00 19.45 19.46 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 -0.41 -0.77 3.76 0.00 0.00 -1.05 -4.64 105.19 102.08 1udu n GLY 632 Ca 0.00 -0.18 -0.29 0.00 0.00 0.00 0.00 46.02 45.55 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 0.29 -4.45 -0.13 1.61 4.76 0.81 -4.10 118.16 116.94 1udu n LYS 633 Ca 0.04 0.54 -0.21 0.00 -2.87 0.00 0.00 58.31 55.81 1udu n LYS 633 Cb 0.16 -5.35 -0.11 0.00 -1.84 0.00 0.00 35.03 27.88 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 -4.41 1.49 -0.34 -0.18 2.08 -1.05 -4.48 119.36 112.47 1udu n ILE 634 Ca 0.03 -0.52 0.16 0.00 0.56 0.00 0.00 62.75 62.98 1udu n ILE 634 Cb 0.53 -1.54 0.31 0.00 -0.75 0.00 0.00 39.64 38.19 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 -0.27 0.00 0.00 0.38 4.15 0.70 0.66 115.11 120.73 1udu h GLN 635 Ca -0.61 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.81 1udu h GLN 635 Cb 1.82 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.51 1udu h GLN 635 CO -0.18 0.00 0.00 0.27 -1.93 0.00 0.00 178.83 176.99 1udu n ASN 636 N -5.49 0.00 -0.25 -0.69 2.04 -1.26 -0.74 115.26 108.87 1udu n ASN 636 Ca 0.24 0.02 0.06 0.00 -0.44 0.00 0.00 54.58 54.46 1udu n ASN 636 Cb 0.80 -0.02 -0.00 0.00 -2.53 0.00 0.00 39.78 38.03 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 -0.98 2.02 -4.39 -3.83 5.02 0.23 -5.03 118.16 111.21 1udu n LYS 637 Ca 0.00 -0.63 -0.25 0.00 -2.02 0.00 0.00 58.31 55.41 1udu n LYS 637 Cb 0.00 -1.12 -0.09 0.00 -0.02 0.00 0.00 35.03 33.80 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 -1.73 2.91 0.91 -0.35 1.43 0.08 -5.05 118.68 116.88 1udu s LEU 638 Ca 0.09 -1.01 -0.12 0.00 -1.03 0.00 0.00 54.13 52.06 1udu s LEU 638 Cb 0.09 -1.28 0.19 0.00 0.03 0.00 0.00 46.19 45.22 1udu s LEU 638 CO 0.29 -0.19 1.25 0.42 0.23 0.00 0.00 176.35 178.35 1udu s THR 639 N -2.52 2.02 -0.66 5.49 -4.23 -1.26 -4.97 115.64 109.51 1udu s THR 639 Ca 0.34 -0.15 0.25 0.00 -1.18 0.00 0.00 61.69 60.95 1udu s THR 639 Cb -0.00 -2.87 0.24 0.00 1.34 0.00 0.00 72.50 71.21 1udu s THR 639 CO 0.18 0.00 1.65 0.44 -0.54 0.00 0.00 174.62 176.36 1udu h ASP 640 N -1.40 0.00 0.02 3.99 3.45 -1.99 -3.10 116.42 117.40 1udu h ASP 640 Ca -0.42 -0.04 -0.00 0.00 0.43 0.00 0.00 57.03 57.00 1udu h ASP 640 Cb 1.24 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.01 1udu h ASP 640 CO 0.37 0.02 -0.01 -0.07 -1.57 0.00 0.00 179.24 177.98 1udu h LEU 641 N 0.00 -0.03 -0.27 1.55 3.38 -2.00 -3.02 115.31 114.93 1udu h LEU 641 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1udu h LEU 641 Cb 0.78 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.54 1udu h LEU 641 CO 0.00 0.07 0.40 -0.62 0.09 0.00 0.00 178.44 178.39 1udu n GLU 642 N -2.61 0.03 -0.03 1.13 1.02 -1.25 0.21 120.64 119.14 1udu n GLU 642 Ca -0.00 0.36 -0.05 0.00 -0.02 0.00 0.00 57.16 57.44 1udu n GLU 642 Cb 0.01 -2.00 -0.13 0.00 -0.02 0.00 0.00 31.44 29.30 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 -1.56 1.32 0.09 -3.67 5.41 -1.17 -2.70 119.36 117.07 1udu n ILE 643 Ca -0.00 -0.77 -0.13 0.00 1.00 0.00 0.00 62.75 62.85 1udu n ILE 643 Cb 0.41 -0.70 -0.11 0.00 -0.71 0.00 0.00 39.64 38.53 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 0.33 0.48 1.39 5.85 0.26 -2.87 115.31 120.75 1udu h LEU 644 Ca -0.32 -0.33 -0.02 0.00 0.84 0.00 0.00 57.88 58.04 1udu h LEU 644 Cb 1.91 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.84 1udu h LEU 644 CO 0.05 1.23 -0.23 0.00 -0.34 0.00 0.00 178.44 179.15 1udu h ALA 645 N 0.72 -0.65 -0.04 1.25 0.00 -1.29 -0.96 119.26 118.29 1udu h ALA 645 Ca -0.09 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.65 1udu h ALA 645 Cb 1.84 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 19.88 1udu h ALA 645 CO 0.18 -0.78 0.03 -0.07 0.00 0.00 0.00 179.25 178.61 1udu h LEU 646 N -0.82 0.00 0.03 0.00 -0.00 -1.57 1.87 115.31 114.82 1udu h LEU 646 Ca -0.07 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.81 1udu h LEU 646 Cb 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.23 1udu h LEU 646 CO 0.11 0.00 -0.02 0.25 -0.00 0.00 0.00 178.44 178.78 1udu h LEU 647 N 0.00 -0.04 -0.24 1.67 6.46 -1.40 -1.28 115.31 120.48 1udu h LEU 647 Ca 0.02 -0.03 0.06 0.00 -0.12 0.00 0.00 57.88 57.81 1udu h LEU 647 Cb 0.09 0.01 -0.06 0.00 -0.73 0.00 0.00 40.66 39.96 1udu h LEU 647 CO -0.00 0.47 -0.19 0.40 -0.62 0.00 0.00 178.44 178.50 1udu h ILE 648 N -1.01 0.48 0.00 4.05 2.04 -0.96 -2.08 117.51 120.03 1udu h ILE 648 Ca -0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1udu h ILE 648 Cb 0.07 0.48 0.00 0.00 -0.74 0.00 0.00 36.82 36.63 1udu h ILE 648 CO 0.01 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.16 1udu n ALA 649 N -2.72 0.00 -0.15 1.87 0.00 0.63 -2.77 120.51 117.37 1udu n ALA 649 Ca -0.01 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.62 1udu n ALA 649 Cb 0.26 0.07 0.29 0.00 0.00 0.00 0.00 19.45 20.07 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 -0.80 0.67 0.12 0.00 0.00 -0.48 0.24 120.51 120.26 1udu n ALA 650 Ca 0.00 0.23 0.04 0.00 0.00 0.00 0.00 53.44 53.71 1udu n ALA 650 Cb 0.00 -0.40 0.20 0.00 0.00 0.00 0.00 19.45 19.25 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 -2.59 3.26 0.00 0.00 4.77 -0.79 -3.89 117.00 117.77 1udu n LEU 651 Ca 0.16 -1.65 0.00 0.00 -0.03 0.00 0.00 56.01 54.49 1udu n LEU 651 Cb 1.02 -0.56 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 1udu n LEU 651 CO 0.16 0.45 0.03 -1.20 -1.33 0.00 0.00 177.39 175.50 1udu n SER 652 N 0.34 0.00 0.22 -1.43 7.64 0.65 -4.90 113.62 116.15 1udu n SER 652 Ca 0.14 -1.00 0.17 0.00 1.01 0.00 0.00 58.87 59.19 1udu n SER 652 Cb 0.69 0.00 0.72 0.00 -1.01 0.00 0.00 64.21 64.61 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 -0.47 1.43 2.07 -1.63 -2.04 115.15 114.52 1udu h HIS 653 Ca 0.00 0.00 -0.28 0.00 -2.85 0.00 0.00 60.37 57.24 1udu h HIS 653 Cb 0.84 0.00 -0.40 0.00 2.57 0.00 0.00 27.41 30.41 1udu h HIS 653 CO 0.00 0.00 -1.08 -0.25 -3.07 0.00 0.00 177.93 173.53 1udu n ASP 654 N -3.18 1.97 -0.38 3.10 8.00 -1.26 -4.87 116.55 119.93 1udu n ASP 654 Ca 0.03 -2.23 -0.05 0.00 0.71 0.00 0.00 54.79 53.25 1udu n ASP 654 Cb 0.56 -0.46 -0.01 0.00 -0.02 0.00 0.00 41.12 41.19 1udu n ASP 654 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1udu h LEU 655 N 2.56 -1.67 -5.63 0.64 3.38 -1.65 -3.12 115.31 109.83 1udu h LEU 655 Ca -0.08 0.31 -0.60 0.00 0.09 0.00 0.00 57.88 57.60 1udu h LEU 655 Cb 1.30 0.82 -0.41 0.00 0.09 0.00 0.00 40.66 42.45 1udu h LEU 655 CO 0.25 -0.27 -0.56 -0.67 0.09 0.00 0.00 178.44 177.28 1udu n ASP 656 N -5.40 4.38 -4.78 -0.43 2.03 -1.26 -4.68 116.55 106.41 1udu n ASP 656 Ca 0.07 -3.61 -0.34 0.00 0.52 0.00 0.00 54.79 51.43 1udu n ASP 656 Cb 0.35 -0.62 0.01 0.00 -0.72 0.00 0.00 41.12 40.14 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 -3.18 2.75 0.00 -0.67 2.46 -1.18 -4.94 115.29 110.52 1udu s HIS 657 Ca 0.46 1.54 0.00 0.00 0.47 0.00 0.00 55.06 57.53 1udu s HIS 657 Cb 0.23 -3.17 0.00 0.00 -0.13 0.00 0.00 32.58 29.51 1udu s HIS 657 CO -0.09 -1.45 0.00 0.54 -2.47 0.00 0.00 174.74 171.27 1udu n ARG 658 N -1.78 3.65 0.00 2.88 5.12 -1.26 -4.85 116.66 120.42 1udu n ARG 658 Ca 0.10 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.02 1udu n ARG 658 Cb 0.52 -0.52 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 1udu n ARG 658 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1udu n GLY 659 N 1.04 1.88 3.06 -0.13 0.00 -1.26 -4.92 105.19 104.86 1udu n GLY 659 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 3.15 0.01 1.61 1.01 -1.26 -4.78 120.40 118.15 1udu s VAL 660 Ca 0.00 -2.65 0.00 0.00 0.00 0.00 0.00 61.98 59.34 1udu s VAL 660 Cb 0.00 -3.14 0.00 0.00 0.00 0.00 0.00 36.38 33.24 1udu s VAL 660 CO 0.00 -0.76 0.01 0.59 0.00 0.00 0.00 175.10 174.94 1udu n ASN 661 N 3.89 1.42 0.00 3.32 3.02 -1.26 -5.09 115.26 120.56 1udu n ASN 661 Ca 0.03 -1.06 0.00 0.00 -0.03 0.00 0.00 54.58 53.53 1udu n ASN 661 Cb 0.39 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.56 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 -1.63 0.00 0.00 6.41 5.03 -1.26 -5.08 115.26 118.74 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 0.02 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.78 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 -5.21 7.33 4.02 -1.26 -5.18 117.16 116.85 1udu n TYR 664 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 57.90 57.58 1udu n TYR 664 Cb 0.00 0.00 -0.17 0.00 -0.02 0.00 0.00 39.34 39.15 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 2.08 2.43 0.00 -0.72 5.04 -1.26 -5.04 117.35 119.89 1udu s TYR 676 Ca 0.00 -0.84 0.00 0.00 -2.44 0.00 0.00 57.07 53.79 1udu s TYR 676 Cb 0.00 -1.61 0.00 0.00 0.35 0.00 0.00 41.96 40.70 1udu s TYR 676 CO 0.00 -0.30 0.43 0.00 -1.34 0.00 0.00 175.55 174.34 1udu n HIS 678 N -0.08 0.00 -2.86 0.00 -0.00 -1.26 -3.90 115.22 107.12 1udu n HIS 678 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.61 1udu n HIS 678 Cb 0.17 -1.47 0.06 0.00 -0.00 0.00 0.00 29.99 28.75 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 0.59 -3.64 0.04 0.41 7.64 -1.26 -4.98 113.62 112.42 1udu n SER 679 Ca -0.07 -0.46 -0.07 0.00 1.01 0.00 0.00 58.87 59.28 1udu n SER 679 Cb 0.24 -3.76 -0.05 0.00 -1.01 0.00 0.00 64.21 59.63 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 -1.04 0.45 -1.33 0.44 1.08 -2.01 -2.86 117.51 112.24 1udu h ILE 680 Ca -0.42 -1.08 0.39 0.00 -0.39 0.00 0.00 64.86 63.35 1udu h ILE 680 Cb 1.23 0.80 -0.07 0.00 -3.07 0.00 0.00 36.82 35.70 1udu h ILE 680 CO 0.33 0.13 0.93 -0.03 -0.69 0.00 0.00 178.15 178.82 1udu h MET 681 N -1.00 0.07 -0.06 2.37 4.05 -1.93 0.46 114.93 118.89 1udu h MET 681 Ca -0.02 -0.00 -0.16 0.00 -0.28 0.00 0.00 59.70 59.23 1udu h MET 681 Cb 0.38 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.15 1udu h MET 681 CO 0.03 0.04 -0.68 0.93 0.23 0.00 0.00 176.91 177.47 1udu h GLU 682 N 0.07 0.28 0.00 0.39 4.39 -1.91 -2.86 114.58 114.94 1udu h GLU 682 Ca 0.67 -0.22 -0.10 0.00 0.34 0.00 0.00 59.36 60.05 1udu h GLU 682 Cb 2.47 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 31.15 1udu h GLU 682 CO -0.10 0.86 -0.48 0.45 -1.16 0.00 0.00 179.01 178.58 1udu h HIS 683 N 0.20 0.00 0.00 4.33 3.86 0.16 -0.97 115.15 122.72 1udu h HIS 683 Ca -0.02 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.16 1udu h HIS 683 Cb 1.22 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.69 1udu h HIS 683 CO 0.03 0.48 -0.17 1.25 0.86 0.00 0.00 177.93 180.37 1udu h HIS 684 N 0.00 0.00 0.00 2.45 -0.00 -1.41 1.00 115.15 117.19 1udu h HIS 684 Ca -0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.34 1udu h HIS 684 Cb 1.14 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 28.54 1udu h HIS 684 CO 0.00 0.17 -0.15 0.45 -0.00 0.00 0.00 177.93 178.41 1udu h HIS 685 N 0.00 0.00 0.31 5.26 -0.00 -1.26 -2.84 115.15 116.62 1udu h HIS 685 Ca -0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.35 1udu h HIS 685 Cb 0.70 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.11 1udu h HIS 685 CO 0.00 0.63 -0.15 0.35 -0.00 0.00 0.00 177.93 178.76 1udu h PHE 686 N -1.00 -0.39 -0.49 2.45 3.57 -0.99 2.11 116.94 122.20 1udu h PHE 686 Ca -0.03 -0.01 0.14 0.00 3.53 0.00 0.00 57.97 61.60 1udu h PHE 686 Cb 0.64 0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.49 1udu h PHE 686 CO 0.13 -0.24 0.54 -0.44 -2.23 0.00 0.00 178.31 176.07 1udu h ASP 687 N -0.43 0.00 0.31 0.41 5.19 0.88 1.71 116.42 124.49 1udu h ASP 687 Ca -0.04 0.00 -0.33 0.00 -0.62 0.00 0.00 57.03 56.04 1udu h ASP 687 Cb 0.33 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.82 1udu h ASP 687 CO 0.07 0.00 -1.76 -0.61 -3.12 0.00 0.00 179.24 173.82 1udu h GLN 688 N 0.00 0.23 0.02 3.56 5.75 -0.63 -1.49 115.11 122.55 1udu h GLN 688 Ca 0.23 -0.40 -0.00 0.00 -0.15 0.00 0.00 58.65 58.33 1udu h GLN 688 Cb 1.30 0.15 -0.00 0.00 1.07 0.00 0.00 27.48 30.00 1udu h GLN 688 CO -0.00 1.07 -0.02 0.00 -2.65 0.00 0.00 178.83 177.23 1udu h LEU 690 N -0.04 0.06 -1.00 0.00 5.85 0.12 0.40 115.31 120.70 1udu h LEU 690 Ca -0.00 0.15 0.35 0.00 0.84 0.00 0.00 57.88 59.21 1udu h LEU 690 Cb 0.03 0.19 -0.16 0.00 0.37 0.00 0.00 40.66 41.09 1udu h LEU 690 CO -0.00 -0.03 0.56 -0.03 -0.34 0.00 0.00 178.44 178.60 1udu h MET 691 N 0.29 0.23 0.00 1.25 4.05 -0.86 -2.31 114.93 117.58 1udu h MET 691 Ca 0.43 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.84 1udu h MET 691 Cb 0.75 -0.05 0.00 0.00 -0.80 0.00 0.00 31.60 31.50 1udu h MET 691 CO -0.51 0.15 0.00 -0.89 0.23 0.00 0.00 176.91 175.89 1udu n ILE 692 N -5.11 0.00 -0.32 1.77 2.08 0.14 -2.74 119.36 115.18 1udu n ILE 692 Ca 0.33 0.51 0.25 0.00 0.56 0.00 0.00 62.75 64.41 1udu n ILE 692 Cb 1.06 -1.14 0.39 0.00 -0.75 0.00 0.00 39.64 39.21 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 -1.22 0.03 0.08 1.39 4.77 -1.07 0.52 117.00 121.49 1udu n LEU 693 Ca 0.00 0.55 -0.17 0.00 -0.03 0.00 0.00 56.01 56.36 1udu n LEU 693 Cb 0.00 -0.27 -0.14 0.00 -2.33 0.00 0.00 43.42 40.67 1udu n LEU 693 CO 0.00 -0.57 -0.26 0.78 -1.33 0.00 0.00 177.39 176.01 1udu h ASN 694 N 0.00 0.41 -1.64 -1.43 4.21 -1.53 -3.37 115.58 112.23 1udu h ASN 694 Ca 0.46 -0.53 -0.57 0.00 1.21 0.00 0.00 56.30 56.87 1udu h ASN 694 Cb 1.76 -0.13 0.15 0.00 -1.12 0.00 0.00 38.32 38.98 1udu h ASN 694 CO -0.07 1.43 -0.93 -1.20 -1.29 0.00 0.00 177.43 175.37 1udu n SER 695 N -3.48 -2.87 -4.73 5.81 7.64 1.99 -4.81 113.62 113.17 1udu n SER 695 Ca -0.14 0.72 -0.41 0.00 1.01 0.00 0.00 58.87 60.04 1udu n SER 695 Cb 1.04 -0.81 -0.04 0.00 -1.01 0.00 0.00 64.21 63.39 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 -0.93 4.66 0.00 1.43 0.04 -1.26 -3.33 135.00 135.61 1udu s PRO 696 Ca 0.55 1.56 0.00 0.00 0.04 0.00 0.00 61.00 63.15 1udu s PRO 696 Cb -0.56 -3.33 0.00 0.00 0.04 0.00 0.00 34.50 30.65 1udu s PRO 696 CO 0.59 0.17 0.00 0.41 0.04 0.00 0.00 177.00 178.21 1udu n GLY 697 N 2.16 1.30 0.53 0.56 0.00 -1.26 -4.79 105.19 103.69 1udu n GLY 697 Ca 0.02 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.09 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 1.15 -4.46 1.61 3.02 -1.21 -4.41 115.26 110.96 1udu n ASN 698 Ca 0.00 -2.61 -0.44 0.00 -0.03 0.00 0.00 54.58 51.50 1udu n ASN 698 Cb 0.00 -0.33 -0.01 0.00 -0.61 0.00 0.00 39.78 38.83 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 -1.37 3.99 0.00 3.52 -0.21 -1.23 -4.48 119.66 119.88 1udu s GLN 699 Ca 0.21 -2.44 0.19 0.00 0.02 0.00 0.00 55.36 53.33 1udu s GLN 699 Cb 0.20 -5.01 0.94 0.00 1.00 0.00 0.00 33.01 30.14 1udu s GLN 699 CO -0.03 -1.75 1.56 0.44 -2.12 0.00 0.00 175.29 173.40 1udu n ILE 700 N 4.73 0.43 0.65 1.08 -5.35 -1.26 -2.32 119.36 117.32 1udu n ILE 700 Ca 0.34 0.11 0.07 0.00 -0.27 0.00 0.00 62.75 63.00 1udu n ILE 700 Cb 0.44 -0.80 0.00 0.00 -1.74 0.00 0.00 39.64 37.54 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 -1.28 1.58 -3.45 7.28 4.77 -1.26 -4.71 117.00 119.93 1udu n LEU 701 Ca 0.09 -0.78 -0.35 0.00 -0.03 0.00 0.00 56.01 54.94 1udu n LEU 701 Cb 0.14 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.20 1udu n LEU 701 CO 0.14 0.30 2.27 -1.54 -1.33 0.00 0.00 177.39 177.24 1udu n SER 702 N -0.08 3.66 0.00 -1.43 3.41 -0.98 -0.47 113.62 117.73 1udu n SER 702 Ca 0.06 -2.55 0.00 0.00 -0.26 0.00 0.00 58.87 56.12 1udu n SER 702 Cb 0.31 -1.15 0.00 0.00 -0.26 0.00 0.00 64.21 63.11 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 4.18 0.50 0.95 5.00 0.00 -1.26 -5.02 105.19 109.54 1udu n GLY 703 Ca 0.48 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.44 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 -4.73 0.99 4.77 0.39 -4.94 117.00 113.48 1udu n LEU 704 Ca 0.00 -0.49 -0.25 0.00 -0.03 0.00 0.00 56.01 55.25 1udu n LEU 704 Cb 0.01 -0.18 -0.07 0.00 -2.33 0.00 0.00 43.42 40.85 1udu n LEU 704 CO 0.00 -0.64 -0.17 -0.44 -1.33 0.00 0.00 177.39 174.81 1udu s SER 705 N -2.04 4.42 0.16 -1.43 0.01 -1.26 -4.89 113.70 108.67 1udu s SER 705 Ca 0.17 -1.07 -0.25 0.00 1.31 0.00 0.00 55.95 56.11 1udu s SER 705 Cb -0.01 -0.49 0.03 0.00 0.21 0.00 0.00 66.02 65.76 1udu s SER 705 CO 0.11 -0.52 1.59 0.40 0.41 0.00 0.00 173.24 175.23 1udu h ILE 706 N 1.45 0.20 0.00 1.44 2.04 -1.99 0.31 117.51 120.96 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 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 37.53 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 0.43 -0.10 2.37 0.28 -1.26 -1.82 120.64 115.12 1udu n GLU 707 Ca -0.00 0.06 -0.17 0.00 -0.16 0.00 0.00 57.16 56.89 1udu n GLU 707 Cb 0.34 -1.50 -0.08 0.00 1.43 0.00 0.00 31.44 31.64 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 -1.17 0.53 0.28 3.44 -0.58 0.55 -3.23 120.64 120.45 1udu n GLU 708 Ca 0.12 0.49 0.13 0.00 -0.42 0.00 0.00 57.16 57.48 1udu n GLU 708 Cb 0.12 -1.67 0.80 0.00 -0.57 0.00 0.00 31.44 30.12 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 0.18 -0.32 3.20 -0.46 -2.32 116.97 116.25 1udu h TYR 709 Ca -0.26 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.60 1udu h TYR 709 Cb 1.08 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.35 1udu h TYR 709 CO -0.07 0.06 -0.09 -0.22 -1.64 0.00 0.00 178.16 176.21 1udu h LYS 710 N 0.00 -0.23 -0.20 1.82 3.11 -1.53 -2.66 116.57 116.88 1udu h LYS 710 Ca -0.00 0.02 0.06 0.00 -2.81 0.00 0.00 60.65 57.91 1udu h LYS 710 Cb 0.16 0.05 -0.01 0.00 -1.00 0.00 0.00 32.23 31.43 1udu h LYS 710 CO 0.01 -0.15 0.37 1.15 -2.81 0.00 0.00 179.45 178.01 1udu h THR 711 N -1.04 0.20 0.02 1.00 2.02 -1.51 0.93 112.91 114.54 1udu h THR 711 Ca -0.02 0.00 -0.32 0.00 0.77 0.00 0.00 66.41 66.83 1udu h THR 711 Cb 0.18 0.68 -0.05 0.00 -1.74 0.00 0.00 68.15 67.22 1udu h THR 711 CO 0.04 0.00 -1.92 0.41 0.37 0.00 0.00 175.52 174.42 1udu n THR 712 N -3.33 1.60 0.23 3.16 -1.04 -0.88 -3.53 114.28 110.49 1udu n THR 712 Ca 0.02 -0.77 0.13 0.00 -2.04 0.00 0.00 64.05 61.39 1udu n THR 712 Cb 0.48 -1.07 0.38 0.00 -1.82 0.00 0.00 70.33 68.29 1udu n THR 712 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1udu h LEU 713 N 0.01 0.00 -0.17 -4.42 3.38 -0.67 0.26 115.31 113.70 1udu h LEU 713 Ca -0.37 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.43 1udu h LEU 713 Cb 2.05 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.78 1udu h LEU 713 CO 0.06 0.07 -0.79 0.50 0.09 0.00 0.00 178.44 178.37 1udu h LYS 714 N 0.00 0.00 0.00 1.13 3.64 -1.02 -2.60 116.57 117.72 1udu h LYS 714 Ca -0.00 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.32 1udu h LYS 714 Cb 0.83 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.64 1udu h LYS 714 CO 0.01 0.79 -0.51 0.82 -2.27 0.00 0.00 179.45 178.29 1udu h ILE 715 N 0.00 0.52 -0.20 2.00 2.04 -1.52 -2.78 117.51 117.56 1udu h ILE 715 Ca -0.01 -1.52 0.02 0.00 1.00 0.00 0.00 64.86 64.35 1udu h ILE 715 Cb 1.53 1.11 -0.03 0.00 -0.74 0.00 0.00 36.82 38.69 1udu h ILE 715 CO 0.10 0.18 -0.15 0.40 0.00 0.00 0.00 178.15 178.68 1udu h ILE 716 N -1.00 0.00 0.00 -0.67 2.04 -0.63 1.82 117.51 119.07 1udu h ILE 716 Ca -0.09 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.77 1udu h ILE 716 Cb 0.68 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.76 1udu h ILE 716 CO -0.06 0.00 0.00 1.17 0.00 0.00 0.00 178.15 179.26 1udu n LYS 717 N -3.51 0.00 -0.55 2.37 4.81 -0.98 0.52 118.16 120.82 1udu n LYS 717 Ca -0.00 0.55 0.45 0.00 -0.87 0.00 0.00 58.31 58.44 1udu n LYS 717 Cb 0.08 -1.28 0.77 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 0.33 1.64 7.50 -1.37 -0.37 115.11 122.86 1udu h GLN 718 Ca 0.00 -0.00 -0.02 0.00 0.50 0.00 0.00 58.65 59.13 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 -0.16 0.00 -1.50 0.00 0.00 178.83 177.18 1udu h ALA 719 N 1.23 -0.77 -0.18 3.87 0.00 0.55 -3.19 119.26 120.76 1udu h ALA 719 Ca 0.81 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.66 1udu h ALA 719 Cb 3.12 0.17 -0.07 0.00 0.00 0.00 0.00 17.79 21.01 1udu h ALA 719 CO -0.08 -0.74 -0.53 0.82 0.00 0.00 0.00 179.25 178.72 1udu h ILE 720 N -0.61 0.02 0.00 0.00 2.04 0.17 0.22 117.51 119.34 1udu h ILE 720 Ca -0.05 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.81 1udu h ILE 720 Cb 0.34 0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.44 1udu h ILE 720 CO 0.07 0.00 0.00 0.18 0.00 0.00 0.00 178.15 178.40 1udu n LEU 721 N -5.43 0.00 -0.63 1.44 4.77 -0.67 -0.13 117.00 116.35 1udu n LEU 721 Ca -0.05 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 56.02 1udu n LEU 721 Cb 0.37 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.51 1udu n LEU 721 CO 0.08 0.00 0.44 0.00 -1.33 0.00 0.00 177.39 176.58 1udu n ALA 722 N -0.62 2.81 1.44 -1.18 0.00 0.76 -4.11 120.51 119.60 1udu n ALA 722 Ca 0.00 -0.62 0.15 0.00 0.00 0.00 0.00 53.44 52.96 1udu n ALA 722 Cb 0.00 -0.65 0.71 0.00 0.00 0.00 0.00 19.45 19.51 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 0.62 0.00 -2.61 0.00 -2.24 0.81 -4.50 114.28 106.36 1udu n THR 723 Ca 0.10 -0.02 -0.43 0.00 -2.27 0.00 0.00 64.05 61.43 1udu n THR 723 Cb 0.45 -0.36 -0.01 0.00 -2.10 0.00 0.00 70.33 68.31 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 -2.52 6.78 0.30 3.42 2.15 -1.26 -4.84 116.67 120.71 1udu s ASP 724 Ca 0.29 -2.26 0.27 0.00 0.43 0.00 0.00 52.55 51.28 1udu s ASP 724 Cb 0.20 -2.56 0.96 0.00 -0.30 0.00 0.00 42.92 41.23 1udu s ASP 724 CO 0.46 -1.21 0.89 0.18 -0.17 0.00 0.00 175.17 175.33 1udu n LEU 725 N 8.25 0.03 0.10 -1.34 4.32 -1.26 0.32 117.00 127.41 1udu n LEU 725 Ca 0.44 0.62 -0.16 0.00 -0.02 0.00 0.00 56.01 56.89 1udu n LEU 725 Cb 0.47 -0.31 -0.09 0.00 -1.62 0.00 0.00 43.42 41.87 1udu n LEU 725 CO 0.73 -0.63 0.53 0.00 -1.22 0.00 0.00 177.39 176.80 1udu h ALA 726 N 0.64 -0.93 -0.42 -1.18 0.00 -1.94 0.32 119.26 115.75 1udu h ALA 726 Ca 0.53 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.36 1udu h ALA 726 Cb 2.05 0.87 -0.03 0.00 0.00 0.00 0.00 17.79 20.68 1udu h ALA 726 CO -0.06 -1.10 0.26 1.25 0.00 0.00 0.00 179.25 179.60 1udu h LEU 727 N -0.72 0.44 -0.29 0.00 6.46 -0.50 0.25 115.31 120.94 1udu h LEU 727 Ca 0.01 -0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 1udu h LEU 727 Cb 0.74 -0.10 0.00 0.00 -0.73 0.00 0.00 40.66 40.57 1udu h LEU 727 CO -0.29 0.31 0.00 0.00 -0.62 0.00 0.00 178.44 177.84 1udu n TYR 728 N -4.83 0.17 -0.08 1.25 9.36 -0.86 -1.24 117.16 120.94 1udu n TYR 728 Ca 0.01 0.08 -0.08 0.00 3.32 0.00 0.00 57.90 61.24 1udu n TYR 728 Cb 0.05 -0.64 -0.11 0.00 -0.63 0.00 0.00 39.34 38.01 1udu n TYR 728 CO 0.00 0.00 0.00 -0.89 0.22 0.00 0.00 176.86 176.19 1udu n ILE 729 N -1.67 1.03 0.28 2.97 5.41 0.11 -2.89 119.36 124.59 1udu n ILE 729 Ca 0.00 -0.61 -0.03 0.00 1.00 0.00 0.00 62.75 63.11 1udu n ILE 729 Cb 0.04 -0.66 0.10 0.00 -0.71 0.00 0.00 39.64 38.41 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 -2.60 1.85 0.00 0.38 4.81 0.66 -4.30 118.16 118.96 1udu n LYS 730 Ca -0.25 -1.07 0.00 0.00 -0.87 0.00 0.00 58.31 56.12 1udu n LYS 730 Cb 0.97 -1.57 0.00 0.00 0.02 0.00 0.00 35.03 34.45 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 0.06 0.00 0.00 1.64 1.74 -0.58 -4.94 116.66 114.58 1udu n ARG 731 Ca 0.16 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.24 1udu n ARG 731 Cb 0.76 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.20 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 -0.44 0.00 -0.59 5.56 1.85 -1.14 -0.45 116.66 121.45 1udu n ARG 732 Ca 0.00 0.00 0.45 0.00 -1.00 0.00 0.00 57.85 57.30 1udu n ARG 732 Cb 0.00 0.00 0.70 0.00 -1.05 0.00 0.00 32.46 32.11 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 -0.55 -0.85 0.08 2.89 0.00 -1.26 -0.56 105.19 104.94 1udu n GLY 733 Ca 0.00 0.62 -0.10 0.00 0.00 0.00 0.00 46.02 46.54 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 -3.84 0.49 0.00 1.61 2.13 0.40 -3.83 120.64 117.61 1udu n GLU 734 Ca 0.39 0.54 0.00 0.00 0.66 0.00 0.00 57.16 58.75 1udu n GLU 734 Cb 1.72 -1.71 0.00 0.00 0.27 0.00 0.00 31.44 31.72 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 -4.55 0.00 -1.69 4.31 7.35 -0.42 0.11 117.46 122.57 1udu n PHE 735 Ca -0.16 0.00 -0.20 0.00 -0.76 0.00 0.00 57.45 56.33 1udu n PHE 735 Cb 0.40 0.00 0.09 0.00 0.35 0.00 0.00 39.48 40.33 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 -0.75 2.31 0.00 -5.13 3.01 0.28 -4.31 117.46 112.87 1udu n PHE 736 Ca 0.00 -2.21 0.00 0.00 1.01 0.00 0.00 57.45 56.25 1udu n PHE 736 Cb 0.00 -0.64 0.00 0.00 -0.01 0.00 0.00 39.48 38.83 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 -0.89 1.52 0.12 -1.08 -0.58 0.30 -4.44 120.64 115.60 1udu n GLU 737 Ca 0.45 0.00 0.10 0.00 -0.42 0.00 0.00 57.16 57.29 1udu n GLU 737 Cb 0.92 -0.17 0.48 0.00 -0.57 0.00 0.00 31.44 32.09 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 -0.14 0.54 -0.12 -4.62 4.77 -1.14 0.10 117.00 116.40 1udu n LEU 738 Ca 0.00 0.68 -0.22 0.00 -0.03 0.00 0.00 56.01 56.43 1udu n LEU 738 Cb 0.00 -0.66 -0.08 0.00 -2.33 0.00 0.00 43.42 40.35 1udu n LEU 738 CO 0.00 -0.68 -1.02 -0.38 -1.33 0.00 0.00 177.39 173.99 1udu n ILE 739 N -2.15 1.52 1.30 -0.08 2.08 -1.26 -0.49 119.36 120.28 1udu n ILE 739 Ca 0.01 -0.16 0.07 0.00 0.56 0.00 0.00 62.75 63.22 1udu n ILE 739 Cb 0.14 -2.04 0.42 0.00 -0.75 0.00 0.00 39.64 37.41 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 -4.36 0.65 0.00 0.38 0.63 -0.73 -1.25 116.66 111.98 1udu n ARG 740 Ca -0.39 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.54 1udu n ARG 740 Cb 0.73 -1.34 0.00 0.00 0.45 0.00 0.00 32.46 32.30 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 -0.84 -0.12 -0.10 -0.14 5.02 0.29 -5.00 118.16 117.26 1udu n LYS 741 Ca 0.11 -0.15 0.00 0.00 -2.02 0.00 0.00 58.31 56.25 1udu n LYS 741 Cb 0.05 -0.60 0.00 0.00 -0.02 0.00 0.00 35.03 34.46 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 -0.01 0.00 -0.21 4.39 3.02 -0.38 -4.70 115.26 117.38 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 0.23 -1.26 0.00 0.00 -0.61 0.00 0.00 39.78 38.13 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 -1.33 0.00 -0.73 3.52 6.02 -0.87 -4.76 117.38 119.24 1udu n GLN 743 Ca 0.00 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.70 1udu n GLN 743 Cb 0.00 -0.98 0.12 0.00 1.02 0.00 0.00 30.24 30.40 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 -0.08 -1.59 0.00 1.08 7.35 0.36 -4.96 117.46 119.61 1udu n PHE 744 Ca 0.00 0.28 0.00 0.00 -0.76 0.00 0.00 57.45 56.97 1udu n PHE 744 Cb 0.00 -1.46 0.00 0.00 0.35 0.00 0.00 39.48 38.37 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 0.06 0.00 0.00 -2.13 5.15 -1.26 -5.05 115.26 112.03 1udu n ASN 745 Ca 0.01 0.00 0.11 0.00 -0.60 0.00 0.00 54.58 54.10 1udu n ASN 745 Cb 0.56 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 39.78 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 0.79 0.01 1.20 4.77 -1.26 -4.06 117.00 118.45 1udu n LEU 746 Ca 0.00 -0.31 -0.01 0.00 -0.03 0.00 0.00 56.01 55.66 1udu n LEU 746 Cb 0.00 -0.06 0.27 0.00 -2.33 0.00 0.00 43.42 41.30 1udu n LEU 746 CO 0.00 0.19 0.87 -0.08 -1.33 0.00 0.00 177.39 177.04 1udu h GLU 747 N 0.00 0.49 -6.26 3.23 4.57 -1.96 -3.40 114.58 111.24 1udu h GLU 747 Ca 0.00 -0.13 -0.56 0.00 -1.18 0.00 0.00 59.36 57.49 1udu h GLU 747 Cb 0.56 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 29.06 1udu h GLU 747 CO 0.00 0.58 1.08 0.34 -1.18 0.00 0.00 179.01 179.83 1udu s ASP 748 N -6.77 6.54 0.05 1.04 -1.08 -1.26 -4.95 116.67 110.24 1udu s ASP 748 Ca -0.07 1.74 -0.12 0.00 -0.52 0.00 0.00 52.55 53.57 1udu s ASP 748 Cb 0.15 -2.53 -0.03 0.00 -1.46 0.00 0.00 42.92 39.04 1udu s ASP 748 CO 0.77 -1.10 1.21 -0.65 0.52 0.00 0.00 175.17 175.91 1udu h PRO 749 N 10.02 -0.08 -0.93 4.34 0.11 -1.92 -0.75 132.00 142.80 1udu h PRO 749 Ca -0.33 0.01 0.17 0.00 0.11 0.00 0.00 66.00 65.96 1udu h PRO 749 Cb 1.15 0.02 -0.17 0.00 0.11 0.00 0.00 31.00 32.10 1udu h PRO 749 CO 0.99 -0.05 -0.28 1.25 -0.21 0.00 0.00 178.00 179.70 1udu h HIS 750 N -0.08 -0.68 0.00 0.65 -0.00 -1.95 1.75 115.15 114.85 1udu h HIS 750 Ca 0.04 0.09 -0.04 0.00 -0.00 0.00 0.00 60.37 60.47 1udu h HIS 750 Cb 0.19 0.44 -0.01 0.00 -0.00 0.00 0.00 27.41 28.04 1udu h HIS 750 CO -0.80 -0.40 -0.18 1.96 -0.00 0.00 0.00 177.93 178.50 1udu h GLN 751 N -0.01 0.00 0.00 5.26 4.20 -1.64 0.36 115.11 123.28 1udu h GLN 751 Ca 0.41 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 59.07 1udu h GLN 751 Cb 0.66 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.43 1udu h GLN 751 CO -0.95 0.18 -0.24 -0.22 -0.67 0.00 0.00 178.83 176.92 1udu h LYS 752 N 0.00 0.00 0.00 1.46 1.63 0.40 0.91 116.57 120.97 1udu h LYS 752 Ca -0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1udu h LYS 752 Cb 0.37 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.00 1udu h LYS 752 CO 0.02 0.24 0.00 0.39 -3.45 0.00 0.00 179.45 176.65 1udu n GLU 753 N -3.85 0.00 -0.33 1.90 1.02 0.11 -2.03 120.64 117.47 1udu n GLU 753 Ca -0.02 0.46 0.24 0.00 -0.02 0.00 0.00 57.16 57.82 1udu n GLU 753 Cb 0.33 -1.16 0.46 0.00 -0.02 0.00 0.00 31.44 31.05 1udu n GLU 753 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1udu h LEU 754 N 0.00 0.28 0.00 -4.62 4.07 -1.11 0.60 115.31 114.52 1udu h LEU 754 Ca 0.00 0.22 0.00 0.00 0.08 0.00 0.00 57.88 58.18 1udu h LEU 754 Cb 0.00 0.23 0.00 0.00 1.08 0.00 0.00 40.66 41.97 1udu h LEU 754 CO 0.00 -0.25 0.00 0.33 -1.08 0.00 0.00 178.44 177.44 1udu n PHE 755 N -5.19 0.00 -0.49 1.13 7.35 0.31 -1.29 117.46 119.29 1udu n PHE 755 Ca 0.31 0.00 0.39 0.00 -0.76 0.00 0.00 57.45 57.39 1udu n PHE 755 Cb 1.01 -0.18 0.63 0.00 0.35 0.00 0.00 39.48 41.29 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 -1.04 0.11 0.07 -2.13 4.77 -0.82 -0.47 117.00 117.50 1udu n LEU 756 Ca 0.00 1.07 -0.03 0.00 -0.03 0.00 0.00 56.01 57.02 1udu n LEU 756 Cb 0.00 -0.53 -0.02 0.00 -2.33 0.00 0.00 43.42 40.55 1udu n LEU 756 CO 0.00 -1.14 0.22 0.00 -1.33 0.00 0.00 177.39 175.15 1udu h ALA 757 N 1.18 -0.49 -0.06 -1.18 0.00 -0.85 -0.29 119.26 117.57 1udu h ALA 757 Ca 0.78 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.66 1udu h ALA 757 Cb 2.76 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 20.64 1udu h ALA 757 CO -0.25 -0.47 0.77 1.98 0.00 0.00 0.00 179.25 181.27 1udu h MET 758 N -0.42 0.00 0.14 0.00 4.05 0.59 1.88 114.93 121.17 1udu h MET 758 Ca -0.02 0.00 -0.30 0.00 -0.28 0.00 0.00 59.70 59.10 1udu h MET 758 Cb 0.16 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.97 1udu h MET 758 CO 0.04 0.00 -1.51 1.25 0.23 0.00 0.00 176.91 176.91 1udu h LEU 759 N 0.00 0.46 -0.40 3.39 5.85 -0.88 -2.92 115.31 120.80 1udu h LEU 759 Ca 0.03 -0.89 0.01 0.00 0.84 0.00 0.00 57.88 57.87 1udu h LEU 759 Cb 1.56 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 42.42 1udu h LEU 759 CO -0.00 1.67 0.25 0.24 -0.34 0.00 0.00 178.44 180.26 1udu h MET 760 N -0.17 0.50 -0.32 1.25 2.86 0.47 -2.18 114.93 117.35 1udu h MET 760 Ca -0.31 -0.03 -0.07 0.00 -2.06 0.00 0.00 59.70 57.22 1udu h MET 760 Cb 1.87 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 33.41 1udu h MET 760 CO 0.10 0.33 -0.09 1.79 1.06 0.00 0.00 176.91 180.10 1udu h THR 761 N 0.51 1.28 -0.94 2.22 1.35 -1.50 0.15 112.91 115.98 1udu h THR 761 Ca 0.15 -1.15 0.28 0.00 -0.55 0.00 0.00 66.41 65.15 1udu h THR 761 Cb -0.03 1.37 -0.15 0.00 -1.73 0.00 0.00 68.15 67.61 1udu h THR 761 CO -0.05 0.37 0.34 0.00 -0.25 0.00 0.00 175.52 175.93 1udu h ALA 762 N 0.79 1.56 0.01 6.62 0.00 -1.29 0.62 119.26 127.56 1udu h ALA 762 Ca 0.08 0.23 -0.23 0.00 0.00 0.00 0.00 54.91 54.99 1udu h ALA 762 Cb 0.59 0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 1udu h ALA 762 CO 0.03 -0.56 -1.15 0.00 0.00 0.00 0.00 179.25 177.57 1udu h ASP 764 N 0.01 -0.94 0.00 0.00 1.82 0.29 0.12 116.42 117.72 1udu h ASP 764 Ca -0.07 0.08 0.00 0.00 -0.39 0.00 0.00 57.03 56.65 1udu h ASP 764 Cb 1.83 0.32 0.00 0.00 0.68 0.00 0.00 39.33 42.16 1udu h ASP 764 CO 0.13 -0.49 0.00 0.18 -1.61 0.00 0.00 179.24 177.45 1udu n LEU 765 N -5.46 0.00 -0.21 2.28 4.32 0.78 -4.37 117.00 114.35 1udu n LEU 765 Ca -0.10 0.00 -0.02 0.00 -0.02 0.00 0.00 56.01 55.88 1udu n LEU 765 Cb 0.36 0.00 0.01 0.00 -1.62 0.00 0.00 43.42 42.17 1udu n LEU 765 CO 0.28 0.00 0.30 -1.54 -1.22 0.00 0.00 177.39 175.21 1udu n SER 766 N -0.55 -0.38 0.00 -1.43 3.41 0.41 0.41 113.62 115.49 1udu n SER 766 Ca 0.01 0.92 0.02 0.00 -0.26 0.00 0.00 58.87 59.56 1udu n SER 766 Cb 0.01 -0.19 0.08 0.00 -0.26 0.00 0.00 64.21 63.84 1udu n SER 766 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1udu n ALA 767 N -3.70 1.23 0.82 7.33 0.00 -1.26 -2.62 120.51 122.31 1udu n ALA 767 Ca 0.05 -0.01 0.13 0.00 0.00 0.00 0.00 53.44 53.60 1udu n ALA 767 Cb 0.20 -1.06 0.47 0.00 0.00 0.00 0.00 19.45 19.06 1udu n ALA 767 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 1udu n ILE 768 N -1.42 0.25 -1.19 0.00 0.13 0.17 -3.21 119.36 114.08 1udu n ILE 768 Ca 0.01 -0.13 0.05 0.00 -1.10 0.00 0.00 62.75 61.58 1udu n ILE 768 Cb 0.04 -0.43 0.21 0.00 -0.84 0.00 0.00 39.64 38.62 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 -1.84 2.26 -3.61 9.51 -2.24 -1.08 -4.47 114.28 112.82 1udu n THR 769 Ca 0.06 -2.33 -0.32 0.00 -2.27 0.00 0.00 64.05 59.19 1udu n THR 769 Cb 0.38 -0.27 -0.05 0.00 -2.10 0.00 0.00 70.33 68.29 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 -3.00 3.67 -0.20 -0.78 -0.14 -1.20 -4.22 119.74 113.88 1udu s LYS 770 Ca 0.40 0.01 -0.40 0.00 -1.36 0.00 0.00 55.97 54.63 1udu s LYS 770 Cb 0.35 -2.84 -0.18 0.00 -1.68 0.00 0.00 37.83 33.48 1udu s LYS 770 CO 0.04 0.46 1.20 -2.30 -0.76 0.00 0.00 175.35 173.98 1udu n PRO 771 N 0.17 0.00 -0.13 -1.68 -0.02 -1.26 -3.80 135.00 128.28 1udu n PRO 771 Ca -0.03 0.00 0.09 0.00 -2.02 0.00 0.00 63.50 61.54 1udu n PRO 771 Cb 0.52 -1.39 0.17 0.00 -0.02 0.00 0.00 33.50 32.78 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 2.39 0.35 0.00 6.00 -0.00 -1.26 -0.06 117.44 124.85 1udu n TRP 772 Ca 0.23 0.45 0.00 0.00 -0.00 0.00 0.00 57.50 58.18 1udu n TRP 772 Cb 0.02 -0.85 0.00 0.00 -0.00 0.00 0.00 31.31 30.48 1udu n TRP 772 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 177.69 175.39 1udu n PRO 773 N -4.09 0.00 -0.33 5.87 -0.02 -1.26 -0.74 135.00 134.42 1udu n PRO 773 Ca 0.12 0.40 0.20 0.00 -2.02 0.00 0.00 63.50 62.21 1udu n PRO 773 Cb 0.40 -1.38 0.42 0.00 -0.02 0.00 0.00 33.50 32.92 1udu n PRO 773 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1udu h ILE 774 N 0.00 0.39 0.23 4.25 2.04 -0.78 -0.52 117.51 123.13 1udu h ILE 774 Ca 0.00 -0.14 -0.01 0.00 1.00 0.00 0.00 64.86 65.71 1udu h ILE 774 Cb 0.00 -0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.02 1udu h ILE 774 CO 0.00 0.08 -0.11 -0.61 0.00 0.00 0.00 178.15 177.50 1udu h GLN 775 N 0.42 -0.30 -0.72 2.37 5.75 -0.93 -3.19 115.11 118.51 1udu h GLN 775 Ca 0.68 0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 59.20 1udu h GLN 775 Cb 1.45 0.07 -0.03 0.00 1.07 0.00 0.00 27.48 30.03 1udu h GLN 775 CO -0.56 0.07 0.44 0.37 -2.65 0.00 0.00 178.83 176.50 1udu h GLN 776 N -0.84 0.97 -0.33 1.69 4.15 -0.61 -0.66 115.11 119.48 1udu h GLN 776 Ca -0.03 -0.08 0.10 0.00 0.77 0.00 0.00 58.65 59.40 1udu h GLN 776 Cb 0.51 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 27.98 1udu h GLN 776 CO 0.05 0.68 0.40 -0.09 -1.93 0.00 0.00 178.83 177.94 1udu h ARG 777 N 0.98 0.00 0.04 1.69 1.12 -1.19 -2.58 114.38 114.44 1udu h ARG 777 Ca 0.26 0.00 -0.33 0.00 -1.11 0.00 0.00 59.98 58.80 1udu h ARG 777 Cb -0.05 0.00 -0.04 0.00 -0.01 0.00 0.00 29.97 29.88 1udu h ARG 777 CO -0.05 0.00 -1.82 -0.89 -3.11 0.00 0.00 179.97 174.10 1udu n ILE 778 N -3.63 1.61 0.15 1.20 5.41 -0.38 -4.15 119.36 119.58 1udu n ILE 778 Ca 0.05 -0.34 0.19 0.00 1.00 0.00 0.00 62.75 63.66 1udu n ILE 778 Cb 0.55 -1.86 0.79 0.00 -0.71 0.00 0.00 39.64 38.41 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 -0.35 1.94 0.00 -1.39 0.00 -0.85 0.95 119.26 119.56 1udu h ALA 779 Ca -0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1udu h ALA 779 Cb 1.64 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.46 1udu h ALA 779 CO -0.14 -0.46 0.00 0.39 0.00 0.00 0.00 179.25 179.04 1udu n GLU 780 N -3.75 0.03 -0.12 0.00 1.02 -1.01 -0.44 120.64 116.36 1udu n GLU 780 Ca 0.04 0.06 -0.27 0.00 -0.02 0.00 0.00 57.16 56.98 1udu n GLU 780 Cb 0.46 -1.54 -0.11 0.00 -0.02 0.00 0.00 31.44 30.24 1udu n GLU 780 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1udu n LEU 781 N -1.59 1.99 -0.05 -4.62 4.77 0.31 -2.82 117.00 114.99 1udu n LEU 781 Ca 0.06 0.34 0.02 0.00 -0.03 0.00 0.00 56.01 56.40 1udu n LEU 781 Cb 0.32 -0.88 0.34 0.00 -2.33 0.00 0.00 43.42 40.87 1udu n LEU 781 CO 0.25 0.51 1.10 1.62 -1.33 0.00 0.00 177.39 179.54 1udu h VAL 782 N -0.93 1.16 0.24 4.08 3.04 -1.02 -1.21 116.25 121.61 1udu h VAL 782 Ca -0.58 -0.43 -0.01 0.00 -1.01 0.00 0.00 66.70 64.66 1udu h VAL 782 Cb 1.54 0.56 0.00 0.00 -2.01 0.00 0.00 31.29 31.39 1udu h VAL 782 CO -0.33 0.18 -0.11 0.00 -1.01 0.00 0.00 177.57 176.29 1udu h ALA 783 N 1.61 -0.32 -0.76 3.17 0.00 -0.92 0.21 119.26 122.25 1udu h ALA 783 Ca 0.16 -0.09 0.18 0.00 0.00 0.00 0.00 54.91 55.16 1udu h ALA 783 Cb 0.06 0.12 -0.13 0.00 0.00 0.00 0.00 17.79 17.85 1udu h ALA 783 CO -0.02 -0.65 0.06 1.15 0.00 0.00 0.00 179.25 179.79 1udu h THR 784 N -0.39 0.37 0.29 0.00 2.02 -1.10 0.18 112.91 114.27 1udu h THR 784 Ca -0.03 -0.05 -0.01 0.00 0.77 0.00 0.00 66.41 67.09 1udu h THR 784 Cb 0.29 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 66.92 1udu h THR 784 CO 0.05 0.03 -0.14 -0.08 0.37 0.00 0.00 175.52 175.75 1udu h GLU 785 N 0.14 -0.37 -0.58 6.66 4.81 -0.96 -1.39 114.58 122.89 1udu h GLU 785 Ca 0.43 0.03 0.16 0.00 -0.13 0.00 0.00 59.36 59.84 1udu h GLU 785 Cb 0.76 0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.20 1udu h GLU 785 CO -0.64 -0.03 0.41 0.74 -0.73 0.00 0.00 179.01 178.76 1udu h PHE 786 N -0.79 0.05 0.16 0.92 0.05 0.21 -0.35 116.94 117.20 1udu h PHE 786 Ca -0.04 0.00 -0.24 0.00 3.82 0.00 0.00 57.97 61.51 1udu h PHE 786 Cb 0.51 -0.02 0.02 0.00 2.00 0.00 0.00 35.95 38.46 1udu h PHE 786 CO 0.03 0.02 -1.11 0.74 -0.18 0.00 0.00 178.31 177.81 1udu h PHE 787 N 0.04 0.62 0.00 -0.55 -1.00 -0.65 -3.21 116.94 112.20 1udu h PHE 787 Ca 0.28 -0.45 -0.00 0.00 2.81 0.00 0.00 57.97 60.60 1udu h PHE 787 Cb 1.04 -0.02 -0.00 0.00 3.61 0.00 0.00 35.95 40.58 1udu h PHE 787 CO -0.00 1.43 -0.01 -0.44 -1.61 0.00 0.00 178.31 177.68 1udu h ASP 788 N -0.23 0.00 0.92 2.17 5.19 -0.27 -0.47 116.42 123.73 1udu h ASP 788 Ca -0.21 0.00 -0.22 0.00 -0.62 0.00 0.00 57.03 55.98 1udu h ASP 788 Cb 1.79 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 41.28 1udu h ASP 788 CO 0.16 0.01 -1.03 -0.61 -3.12 0.00 0.00 179.24 174.64 1udu h GLN 789 N 0.00 0.05 -0.09 3.56 4.15 -1.16 -2.30 115.11 119.32 1udu h GLN 789 Ca -0.00 -0.09 -0.11 0.00 0.77 0.00 0.00 58.65 59.23 1udu h GLN 789 Cb 0.18 0.03 0.00 0.00 0.21 0.00 0.00 27.48 27.90 1udu h GLN 789 CO 0.00 1.03 -0.35 0.78 -1.93 0.00 0.00 178.83 178.36 1udu h GLY 790 N 2.70 0.44 0.52 2.39 0.00 -1.14 -1.89 103.07 106.10 1udu h GLY 790 Ca -0.03 -0.60 0.08 0.00 0.00 0.00 0.00 47.33 46.78 1udu h GLY 790 CO 0.14 0.53 0.28 -0.55 0.00 0.00 0.00 176.54 176.94 1udu h ASP 791 N -0.05 0.35 -0.09 0.19 3.32 -1.28 -1.50 116.42 117.37 1udu h ASP 791 Ca -0.02 0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 1udu h ASP 791 Cb 0.99 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.54 1udu h ASP 791 CO 0.07 0.22 0.03 0.03 -1.72 0.00 0.00 179.24 177.87 1udu h ARG 792 N 0.50 0.13 -3.15 3.56 3.08 -1.41 -3.19 114.38 113.91 1udu h ARG 792 Ca 0.30 -0.02 -0.71 0.00 0.07 0.00 0.00 59.98 59.61 1udu h ARG 792 Cb 0.30 -0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.27 1udu h ARG 792 CO -0.25 0.26 2.99 0.39 -1.07 0.00 0.00 179.97 182.29 1udu n GLU 793 N -4.93 3.81 0.00 0.04 1.02 -0.58 -1.31 120.64 118.69 1udu n GLU 793 Ca -0.06 -2.88 0.00 0.00 -0.02 0.00 0.00 57.16 54.20 1udu n GLU 793 Cb 0.12 -2.86 0.00 0.00 -0.02 0.00 0.00 31.44 28.68 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 3.53 0.00 0.00 3.49 0.63 -1.15 -4.26 116.66 118.90 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 0.29 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.20 1udu n ARG 794 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1udu n LYS 795 N 0.00 0.00 0.28 -0.14 4.76 -0.43 -4.83 118.16 117.81 1udu n LYS 795 Ca 0.00 0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.32 1udu n LYS 795 Cb 0.08 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 33.21 1udu n LYS 795 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 1udu h GLU 796 N 0.00 -0.72 -7.44 1.97 3.07 -1.86 -3.42 114.58 106.18 1udu h GLU 796 Ca 0.00 0.05 -0.47 0.00 -0.50 0.00 0.00 59.36 58.44 1udu h GLU 796 Cb 0.00 0.16 0.08 0.00 -0.84 0.00 0.00 28.75 28.16 1udu h GLU 796 CO 0.00 -0.48 0.33 -0.51 -1.40 0.00 0.00 179.01 176.95 1udu s LEU 797 N -7.48 2.75 -0.53 1.33 2.01 -1.26 -5.03 118.68 110.47 1udu s LEU 797 Ca -0.11 0.74 0.06 0.00 0.01 0.00 0.00 54.13 54.83 1udu s LEU 797 Cb 0.01 -3.38 0.21 0.00 0.01 0.00 0.00 46.19 43.05 1udu s LEU 797 CO 0.34 -1.61 0.53 0.59 1.01 0.00 0.00 176.35 177.21 1udu n ASN 798 N -3.06 1.57 -4.63 2.29 4.13 -1.26 -3.13 115.26 111.17 1udu n ASN 798 Ca 0.07 -2.92 -0.28 0.00 1.68 0.00 0.00 54.58 53.14 1udu n ASN 798 Cb 0.60 -0.65 -0.11 0.00 -1.54 0.00 0.00 39.78 38.08 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 -1.27 2.05 0.53 2.41 1.01 -1.26 -5.03 121.20 119.64 1udu s ILE 799 Ca 0.33 -1.98 0.08 0.00 0.00 0.00 0.00 60.65 59.09 1udu s ILE 799 Cb 0.08 -2.98 0.05 0.00 0.01 0.00 0.00 42.46 39.63 1udu s ILE 799 CO -0.12 -0.01 0.60 -1.61 0.00 0.00 0.00 174.94 173.80 1udu s GLU 800 N -3.72 2.36 0.15 2.79 0.41 -1.26 -4.44 118.70 114.98 1udu s GLU 800 Ca 0.35 -1.72 -0.07 0.00 -0.41 0.00 0.00 54.97 53.13 1udu s GLU 800 Cb 0.09 -2.45 -0.06 0.00 -1.78 0.00 0.00 34.13 29.93 1udu s GLU 800 CO 0.18 -0.66 0.42 -2.14 -0.49 0.00 0.00 175.26 172.57 1udu s PRO 801 N -4.46 3.68 0.00 0.39 0.02 -1.26 -4.96 135.00 128.42 1udu s PRO 801 Ca 0.51 0.04 -0.04 0.00 0.02 0.00 0.00 61.00 61.53 1udu s PRO 801 Cb -0.05 -2.83 -0.16 0.00 0.02 0.00 0.00 34.50 31.49 1udu s PRO 801 CO 0.31 0.45 2.85 0.25 -0.33 0.00 0.00 177.00 180.53 1udu n THR 802 N 0.18 2.45 0.00 0.99 -2.24 -1.26 -4.73 114.28 109.66 1udu n THR 802 Ca -0.03 -1.06 0.00 0.00 -2.27 0.00 0.00 64.05 60.69 1udu n THR 802 Cb 0.52 -1.79 0.00 0.00 -2.10 0.00 0.00 70.33 66.96 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 2.18 0.00 -0.45 3.42 9.92 -1.26 -3.79 116.55 126.57 1udu n ASP 803 Ca 0.26 0.00 0.38 0.00 -0.53 0.00 0.00 54.79 54.90 1udu n ASP 803 Cb 0.71 0.00 0.70 0.00 -0.64 0.00 0.00 41.12 41.89 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 0.14 -1.87 0.64 5.85 -1.95 -1.35 115.31 116.78 1udu h LEU 804 Ca 0.00 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.77 1udu h LEU 804 Cb 0.00 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.07 1udu h LEU 804 CO 0.00 -0.04 0.00 0.23 -0.34 0.00 0.00 178.44 178.29 1udu n MET 805 N -4.34 1.27 -3.13 1.25 2.81 -1.25 -4.57 117.12 109.16 1udu n MET 805 Ca 0.34 -1.45 -0.39 0.00 -1.81 0.00 0.00 57.70 54.38 1udu n MET 805 Cb 1.43 -1.24 -0.05 0.00 -0.71 0.00 0.00 33.22 32.65 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 -0.98 7.00 0.42 7.83 4.22 -0.51 -3.49 114.94 129.42 1udu s ASN 806 Ca 0.17 1.20 0.14 0.00 -2.14 0.00 0.00 52.86 52.22 1udu s ASN 806 Cb 0.11 -2.39 0.75 0.00 1.28 0.00 0.00 41.25 41.00 1udu s ASN 806 CO 0.15 0.02 1.33 -0.09 -2.04 0.00 0.00 177.10 176.47 1udu h ARG 807 N 6.03 0.00 0.00 3.55 9.65 -1.88 -3.39 114.38 128.34 1udu h ARG 807 Ca -0.43 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.45 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 0.72 0.00 0.00 -1.91 2.80 0.00 0.00 179.97 181.58 1udu n GLU 808 N -2.21 3.02 -0.57 0.20 4.07 -1.26 -4.43 120.64 119.47 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 0.44 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.82 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 -1.29 0.27 5.31 4.76 -1.26 -4.70 118.16 121.25 1udu n LYS 809 Ca 0.00 0.22 0.18 0.00 -2.87 0.00 0.00 58.31 55.84 1udu n LYS 809 Cb 0.00 -3.93 0.97 0.00 -1.84 0.00 0.00 35.03 30.23 1udu n LYS 809 CO 0.00 0.00 0.00 1.57 -1.37 0.00 0.00 177.40 177.60 1udu h LYS 810 N 0.00 0.00 0.00 1.97 2.10 -1.81 0.32 116.57 119.15 1udu h LYS 810 Ca 0.00 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.56 1udu h LYS 810 Cb 0.44 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.76 1udu h LYS 810 CO 0.00 0.00 -0.41 -2.95 -2.00 0.00 0.00 179.45 174.09 1udu h ASN 811 N 0.00 0.00 -0.67 7.07 -1.07 -1.95 -3.07 115.58 115.89 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 0.01 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.26 1udu h ASN 811 CO 0.00 0.41 0.00 0.29 0.07 0.00 0.00 177.43 178.20 1udu n LYS 812 N -3.21 3.43 0.19 4.14 4.01 0.11 -4.41 118.16 122.42 1udu n LYS 812 Ca 0.02 -2.77 0.09 0.00 -0.51 0.00 0.00 58.31 55.15 1udu n LYS 812 Cb 0.69 -1.81 0.62 0.00 -0.51 0.00 0.00 35.03 34.03 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 4.11 0.98 0.28 -0.18 3.07 -1.41 -2.98 117.51 121.37 1udu h ILE 813 Ca 0.00 -0.02 -0.01 0.00 1.55 0.00 0.00 64.86 66.37 1udu h ILE 813 Cb 1.31 0.90 0.00 0.00 -0.27 0.00 0.00 36.82 38.77 1udu h ILE 813 CO 0.17 0.01 -0.13 -0.65 -1.05 0.00 0.00 178.15 176.50 1udu h PRO 814 N 0.07 -0.36 0.00 0.16 0.11 -1.84 -0.07 132.00 130.07 1udu h PRO 814 Ca 0.05 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.19 1udu h PRO 814 Cb 0.13 0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.32 1udu h PRO 814 CO -0.01 -0.24 0.35 -1.13 -0.21 0.00 0.00 178.00 176.76 1udu n SER 815 N -3.11 0.28 0.01 -2.05 3.41 -1.20 0.34 113.62 111.29 1udu n SER 815 Ca -0.05 0.50 -0.04 0.00 -0.26 0.00 0.00 58.87 59.03 1udu n SER 815 Cb 0.15 -0.43 -0.11 0.00 -0.26 0.00 0.00 64.21 63.56 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 -1.96 0.62 0.11 4.33 2.81 -1.02 -1.18 117.12 120.82 1udu n MET 816 Ca -0.01 0.26 -0.23 0.00 -1.81 0.00 0.00 57.70 55.91 1udu n MET 816 Cb 0.36 -1.80 -0.15 0.00 -0.71 0.00 0.00 33.22 30.92 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 0.45 0.62 0.03 1.08 0.76 -3.03 115.11 115.01 1udu h GLN 817 Ca -0.22 -0.76 -0.03 0.00 -1.45 0.00 0.00 58.65 56.19 1udu h GLN 817 Cb 1.77 0.28 0.01 0.00 -0.05 0.00 0.00 27.48 29.49 1udu h GLN 817 CO 0.06 1.37 -0.30 0.28 -0.95 0.00 0.00 178.83 179.29 1udu h VAL 818 N -0.01 0.38 -0.75 -0.54 2.07 0.19 -2.56 116.25 115.03 1udu h VAL 818 Ca -0.25 -0.06 0.16 0.00 0.82 0.00 0.00 66.70 67.37 1udu h VAL 818 Cb 2.01 0.41 -0.11 0.00 -1.52 0.00 0.00 31.29 32.08 1udu h VAL 818 CO 0.22 0.01 0.22 1.23 0.02 0.00 0.00 177.57 179.27 1udu h GLY 819 N -0.87 1.09 0.12 2.17 0.00 -1.28 -1.60 103.07 102.70 1udu h GLY 819 Ca -0.08 -0.07 0.01 0.00 0.00 0.00 0.00 47.33 47.18 1udu h GLY 819 CO 0.14 -0.18 -0.52 -2.75 0.00 0.00 0.00 176.54 173.23 1udu h PHE 820 N 0.32 -1.51 -0.41 5.60 3.57 -1.39 0.76 116.94 123.88 1udu h PHE 820 Ca 0.42 0.04 0.08 0.00 3.53 0.00 0.00 57.97 62.05 1udu h PHE 820 Cb 0.71 0.64 -0.08 0.00 2.79 0.00 0.00 35.95 40.01 1udu h PHE 820 CO -0.23 -0.59 -0.14 0.82 -2.23 0.00 0.00 178.31 175.94 1udu h ILE 821 N -0.74 0.51 -0.15 1.41 2.04 -0.95 1.68 117.51 121.32 1udu h ILE 821 Ca -0.01 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.76 1udu h ILE 821 Cb 0.75 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 37.33 1udu h ILE 821 CO -0.28 0.00 -0.33 0.44 0.00 0.00 0.00 178.15 177.98 1udu h ASP 822 N -0.05 0.30 1.11 1.72 5.19 -0.82 0.19 116.42 124.05 1udu h ASP 822 Ca 0.20 -0.11 -0.16 0.00 -0.62 0.00 0.00 57.03 56.34 1udu h ASP 822 Cb 0.36 -0.08 -0.03 0.00 0.18 0.00 0.00 39.33 39.76 1udu h ASP 822 CO -0.45 0.62 -0.93 0.00 -3.12 0.00 0.00 179.24 175.35 1udu h ALA 823 N 1.40 0.59 0.00 3.45 0.00 0.19 -3.45 119.26 121.44 1udu h ALA 823 Ca 0.03 -0.75 0.00 0.00 0.00 0.00 0.00 54.91 54.19 1udu h ALA 823 Cb 0.71 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1udu h ALA 823 CO 0.05 0.95 -0.14 -0.89 0.00 0.00 0.00 179.25 179.22 1udu n ILE 824 N -3.18 0.16 0.00 0.00 5.41 0.56 -5.02 119.36 117.29 1udu n ILE 824 Ca -0.03 0.05 0.00 0.00 1.00 0.00 0.00 62.75 63.78 1udu n ILE 824 Cb 0.84 -0.77 0.00 0.00 -0.71 0.00 0.00 39.64 39.00 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 -2.00 0.00 -0.33 0.00 0.00 0.50 -1.69 117.00 113.49 1udu n LEU 826 Ca 0.00 0.08 0.25 0.00 0.00 0.00 0.00 56.01 56.34 1udu n LEU 826 Cb 0.00 0.00 0.55 0.00 0.00 0.00 0.00 43.42 43.97 1udu n LEU 826 CO 0.00 0.00 1.23 0.06 0.00 0.00 0.00 177.39 178.68 1udu h GLN 827 N 0.00 0.31 -0.06 1.96 -0.00 -1.81 0.34 115.11 115.85 1udu h GLN 827 Ca 0.00 -0.02 -0.02 0.00 -0.00 0.00 0.00 58.65 58.61 1udu h GLN 827 Cb 0.00 -0.07 -0.01 0.00 -0.00 0.00 0.00 27.48 27.41 1udu h GLN 827 CO 0.00 0.20 -0.04 1.25 -0.00 0.00 0.00 178.83 180.24 1udu h LEU 828 N 0.32 0.08 0.07 0.06 7.12 -1.30 -1.27 115.31 120.39 1udu h LEU 828 Ca 0.60 -0.01 -0.37 0.00 0.13 0.00 0.00 57.88 58.24 1udu h LEU 828 Cb 1.67 -0.02 -0.04 0.00 -0.53 0.00 0.00 40.66 41.74 1udu h LEU 828 CO -0.27 0.14 -2.10 -1.22 -0.13 0.00 0.00 178.44 174.86 1udu n TYR 829 N -4.43 0.81 0.11 1.25 4.01 0.11 -3.10 117.16 115.91 1udu n TYR 829 Ca -0.02 0.19 -0.04 0.00 -0.16 0.00 0.00 57.90 57.87 1udu n TYR 829 Cb 0.16 -1.10 -0.02 0.00 -0.31 0.00 0.00 39.34 38.06 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 -0.11 -0.28 -0.89 -0.72 4.11 -1.11 -0.97 114.58 114.61 1udu h GLU 830 Ca -0.48 0.02 0.23 0.00 0.07 0.00 0.00 59.36 59.20 1udu h GLU 830 Cb 1.90 0.06 -0.17 0.00 0.50 0.00 0.00 28.75 31.05 1udu h GLU 830 CO -0.02 -0.18 -0.05 0.00 0.07 0.00 0.00 179.01 178.83 1udu n ALA 831 N -2.15 0.39 0.04 1.06 0.00 -0.48 0.82 120.51 120.18 1udu n ALA 831 Ca -0.04 0.96 -0.09 0.00 0.00 0.00 0.00 53.44 54.28 1udu n ALA 831 Cb 0.11 -0.67 -0.05 0.00 0.00 0.00 0.00 19.45 18.84 1udu n ALA 831 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1udu h LEU 832 N 0.00 -0.89 -0.16 0.00 5.85 -1.42 -2.55 115.31 116.14 1udu h LEU 832 Ca 0.51 0.10 0.01 0.00 0.84 0.00 0.00 57.88 59.34 1udu h LEU 832 Cb 0.99 0.34 -0.02 0.00 0.37 0.00 0.00 40.66 42.33 1udu h LEU 832 CO -0.86 -0.29 -0.10 0.41 -0.34 0.00 0.00 178.44 177.27 1udu n THR 833 N -4.09 -0.11 -0.53 1.05 -1.04 0.24 0.23 114.28 110.02 1udu n THR 833 Ca -0.04 0.46 0.43 0.00 -2.04 0.00 0.00 64.05 62.86 1udu n THR 833 Cb 0.22 -0.58 0.72 0.00 -1.82 0.00 0.00 70.33 68.87 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 0.31 0.67 -1.42 3.86 -1.34 0.46 115.15 117.69 1udu h HIS 834 Ca 0.03 0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.22 1udu h HIS 834 Cb 0.07 -0.07 0.01 0.00 1.06 0.00 0.00 27.41 28.47 1udu h HIS 834 CO -0.21 -0.14 -0.32 0.28 0.86 0.00 0.00 177.93 178.40 1udu h VAL 835 N 0.04 0.25 -2.94 2.45 2.07 0.27 -3.41 116.25 114.98 1udu h VAL 835 Ca 0.86 -0.19 -0.53 0.00 0.82 0.00 0.00 66.70 67.65 1udu h VAL 835 Cb 3.01 0.30 -0.40 0.00 -1.52 0.00 0.00 31.29 32.69 1udu h VAL 835 CO -0.26 0.02 -0.77 -0.55 0.02 0.00 0.00 177.57 176.03 1udu s SER 836 N -4.47 3.44 0.30 0.57 0.15 0.15 -5.01 113.70 108.83 1udu s SER 836 Ca -0.16 -1.24 0.11 0.00 0.70 0.00 0.00 55.95 55.36 1udu s SER 836 Cb 0.02 -0.46 0.61 0.00 -1.71 0.00 0.00 66.02 64.48 1udu s SER 836 CO 0.54 -0.41 1.22 1.21 1.20 0.00 0.00 173.24 177.00 1udu n GLU 837 N 5.15 0.08 0.00 5.44 4.07 -0.44 -1.58 120.64 133.36 1udu n GLU 837 Ca -0.06 0.54 0.00 0.00 -0.06 0.00 0.00 57.16 57.58 1udu n GLU 837 Cb 0.43 -2.08 0.00 0.00 -0.06 0.00 0.00 31.44 29.74 1udu n GLU 837 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 1udu n ASP 838 N -1.97 0.73 -0.00 4.31 8.00 -1.26 -2.80 116.55 123.56 1udu n ASP 838 Ca -0.01 -1.81 0.04 0.00 0.71 0.00 0.00 54.79 53.73 1udu n ASP 838 Cb 0.34 -0.37 -0.06 0.00 -0.02 0.00 0.00 41.12 41.02 1udu n ASP 838 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1udu n PHE 840 N -1.38 1.07 -0.25 0.00 7.35 -1.12 -0.00 117.46 123.12 1udu n PHE 840 Ca 0.01 1.09 0.32 0.00 -0.76 0.00 0.00 57.45 58.11 1udu n PHE 840 Cb 0.17 -1.49 0.67 0.00 0.35 0.00 0.00 39.48 39.19 1udu n PHE 840 CO 0.00 0.00 0.00 -1.35 -0.76 0.00 0.00 176.76 174.65 1udu h PRO 841 N 0.00 0.00 0.00 -7.13 0.11 -1.87 0.56 132.00 123.67 1udu h PRO 841 Ca 0.78 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.89 1udu h PRO 841 Cb 2.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 33.16 1udu h PRO 841 CO -0.71 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 178.36 1udu n LEU 842 N -3.76 0.31 -0.43 2.35 4.77 1.00 -2.34 117.00 118.89 1udu n LEU 842 Ca 0.23 0.31 0.39 0.00 -0.03 0.00 0.00 56.01 56.92 1udu n LEU 842 Cb 1.28 -0.43 0.62 0.00 -2.33 0.00 0.00 43.42 42.56 1udu n LEU 842 CO 0.33 -0.43 1.37 0.25 -1.33 0.00 0.00 177.39 177.58 1udu h LEU 843 N 0.00 0.00 0.00 2.23 5.85 -1.40 0.21 115.31 122.20 1udu h LEU 843 Ca 0.00 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.63 1udu h LEU 843 Cb 0.00 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 1udu h LEU 843 CO 0.00 0.00 -0.60 -0.78 -0.34 0.00 0.00 178.44 176.72 1udu h ASP 844 N 0.00 0.00 -1.20 1.25 3.58 -0.06 -3.05 116.42 116.94 1udu h ASP 844 Ca 0.69 -0.41 0.34 0.00 0.42 0.00 0.00 57.03 58.07 1udu h ASP 844 Cb 3.29 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 44.28 1udu h ASP 844 CO -0.01 1.05 0.84 1.23 -2.88 0.00 0.00 179.24 179.47 1udu h GLY 845 N -1.00 0.36 0.32 -0.78 0.00 -0.24 0.14 103.07 101.87 1udu h GLY 845 Ca -0.13 -0.05 -0.02 0.00 0.00 0.00 0.00 47.33 47.13 1udu h GLY 845 CO -0.08 -0.06 -0.15 0.00 0.00 0.00 0.00 176.54 176.25 1udu h ARG 847 N -0.48 0.00 0.00 0.00 3.08 -0.74 0.84 114.38 117.09 1udu h ARG 847 Ca -0.04 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.98 1udu h ARG 847 Cb 0.33 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.37 1udu h ARG 847 CO 0.07 0.00 -0.13 0.87 -1.07 0.00 0.00 179.97 179.71 1udu h LYS 848 N 0.00 0.00 0.04 0.04 1.57 -0.65 -3.23 116.57 114.33 1udu h LYS 848 Ca 0.30 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.72 1udu h LYS 848 Cb 1.58 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.84 1udu h LYS 848 CO -0.00 0.13 -2.18 0.09 -0.57 0.00 0.00 179.45 176.92 1udu n ASN 849 N -3.16 1.46 -1.15 0.86 5.03 0.25 -4.06 115.26 114.50 1udu n ASN 849 Ca 0.03 0.09 0.00 0.00 0.87 0.00 0.00 54.58 55.57 1udu n ASN 849 Cb 0.53 -0.22 0.00 0.00 -1.02 0.00 0.00 39.78 39.07 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 -3.19 0.89 0.00 3.52 0.63 0.92 -1.46 116.66 117.96 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 1.05 -1.05 0.00 0.00 0.45 0.00 0.00 32.46 32.91 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 0.82 0.00 -0.08 -0.14 6.02 -1.24 -4.38 117.38 118.38 1udu n GLN 851 Ca 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 57.00 56.93 1udu n GLN 851 Cb 0.45 -0.16 -0.16 0.00 1.02 0.00 0.00 30.24 31.39 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 0.06 -1.09 4.76 -0.53 -3.37 118.16 118.67 1udu n LYS 852 Ca 0.00 -0.00 -0.22 0.00 -2.87 0.00 0.00 58.31 55.22 1udu n LYS 852 Cb 0.09 -1.55 -0.15 0.00 -1.84 0.00 0.00 35.03 31.58 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 0.00 0.63 0.00 2.13 -0.00 -1.73 -1.77 115.95 115.21 1udu h TRP 853 Ca -0.43 -0.46 -0.01 0.00 -0.00 0.00 0.00 58.89 57.99 1udu h TRP 853 Cb 2.02 -0.03 -0.00 0.00 -0.00 0.00 0.00 29.16 31.16 1udu h TRP 853 CO 0.00 1.46 -0.04 1.96 -0.00 0.00 0.00 178.44 181.83 1udu h GLN 854 N -0.20 0.00 0.03 0.49 1.08 -1.76 0.42 115.11 115.17 1udu h GLN 854 Ca -0.23 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 56.97 1udu h GLN 854 Cb 1.83 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.26 1udu h GLN 854 CO 0.16 0.04 -0.01 0.00 -0.95 0.00 0.00 178.83 178.06 1udu h ALA 855 N 1.96 -0.07 -0.76 3.87 0.00 -1.55 -2.92 119.26 119.79 1udu h ALA 855 Ca -0.00 -0.01 0.17 0.00 0.00 0.00 0.00 54.91 55.07 1udu h ALA 855 Cb 0.18 0.01 -0.13 0.00 0.00 0.00 0.00 17.79 17.85 1udu h ALA 855 CO 0.00 -0.06 -0.02 -0.07 0.00 0.00 0.00 179.25 179.10 1udu h LEU 856 N -0.49 -0.39 -1.68 0.00 3.38 -1.15 0.37 115.31 115.35 1udu h LEU 856 Ca -0.00 0.20 -0.04 0.00 0.09 0.00 0.00 57.88 58.13 1udu h LEU 856 Cb 0.03 0.36 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1udu h LEU 856 CO 0.01 -0.19 -0.19 0.00 0.09 0.00 0.00 178.44 178.16 1udu h ALA 857 N 1.72 1.53 0.00 1.53 0.00 -0.30 -2.75 119.26 120.99 1udu h ALA 857 Ca 0.41 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1udu h ALA 857 Cb 0.72 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1udu h ALA 857 CO -0.69 0.23 0.00 0.39 0.00 0.00 0.00 179.25 179.19 1udu n GLU 858 N -4.08 0.67 -0.07 0.00 4.71 0.12 -2.18 120.64 119.82 1udu n GLU 858 Ca -0.02 0.00 0.05 0.00 -0.01 0.00 0.00 57.16 57.18 1udu n GLU 858 Cb 0.26 -1.18 0.07 0.00 -1.01 0.00 0.00 31.44 29.58 1udu n GLU 858 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 1udu n GLN 859 N -0.14 1.82 0.00 3.49 6.02 -1.04 -5.08 117.38 122.46 1udu n GLN 859 Ca 0.00 -1.93 0.08 0.00 -0.01 0.00 0.00 57.00 55.14 1udu n GLN 859 Cb 0.09 -1.18 0.07 0.00 1.02 0.00 0.00 30.24 30.24 1udu n GLN 859 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09