#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uho h ARG 538 N 0.00 1.20 -0.37 -0.78 2.43 -2.05 -1.33 114.38 113.47 1uho h ARG 538 Ca 0.00 -0.21 -0.14 0.00 -0.81 0.00 0.00 59.98 58.82 1uho h ARG 538 Cb 0.00 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.34 1uho h ARG 538 CO 0.00 0.96 -0.31 1.49 -1.51 0.00 0.00 179.97 180.61 1uho h GLU 539 N 1.18 0.82 -0.22 0.20 4.81 -2.05 -1.89 114.58 117.42 1uho h GLU 539 Ca 0.27 -0.38 -0.05 0.00 -0.13 0.00 0.00 59.36 59.07 1uho h GLU 539 Cb 0.20 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 1uho h GLU 539 CO -0.02 1.01 -0.05 1.25 -0.73 0.00 0.00 179.01 180.47 1uho h LEU 540 N 0.69 0.44 -0.58 1.64 7.12 -1.91 -2.38 115.31 120.34 1uho h LEU 540 Ca 0.08 -0.36 0.04 0.00 0.13 0.00 0.00 57.88 57.76 1uho h LEU 540 Cb 0.85 -0.12 -0.04 0.00 -0.53 0.00 0.00 40.66 40.82 1uho h LEU 540 CO 0.07 0.70 0.32 1.56 -0.13 0.00 0.00 178.44 180.97 1uho h GLN 541 N 0.17 0.60 -0.47 1.25 4.20 -1.19 -0.68 115.11 118.97 1uho h GLN 541 Ca 0.06 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 1uho h GLN 541 Cb 0.51 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.13 1uho h GLN 541 CO 0.02 0.40 0.26 0.77 -0.67 0.00 0.00 178.83 179.61 1uho h SER 542 N 0.62 0.59 0.03 1.46 0.02 -1.28 -1.35 113.55 113.63 1uho h SER 542 Ca 0.25 -0.09 -0.00 0.00 -0.84 0.00 0.00 61.79 61.11 1uho h SER 542 Cb 0.11 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.50 1uho h SER 542 CO -0.14 0.51 -0.01 0.25 -1.14 0.00 0.00 176.83 176.29 1uho h LEU 543 N 0.63 -0.03 -1.64 5.07 6.46 -1.06 -1.23 115.31 123.50 1uho h LEU 543 Ca 0.17 -0.22 -0.04 0.00 -0.12 0.00 0.00 57.88 57.67 1uho h LEU 543 Cb 0.05 0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 39.98 1uho h LEU 543 CO -0.03 0.20 -0.20 0.00 -0.62 0.00 0.00 178.44 177.80 1uho h ALA 544 N 0.71 1.58 0.00 1.25 0.00 -1.08 -2.85 119.26 118.87 1uho h ALA 544 Ca -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1uho h ALA 544 Cb 0.25 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1uho h ALA 544 CO 0.01 0.25 -0.78 0.00 0.00 0.00 0.00 179.25 178.73 1uho n ALA 545 N -2.46 3.77 -1.48 0.00 0.00 -0.52 -4.95 120.51 114.87 1uho n ALA 545 Ca -0.02 -0.42 -0.33 0.00 0.00 0.00 0.00 53.44 52.67 1uho n ALA 545 Cb 0.27 -1.00 0.05 0.00 0.00 0.00 0.00 19.45 18.77 1uho n ALA 545 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1uho s ALA 546 N -3.06 2.42 -0.08 0.00 0.00 -0.47 -5.00 121.76 115.57 1uho s ALA 546 Ca 0.08 0.55 -0.22 0.00 0.00 0.00 0.00 51.96 52.38 1uho s ALA 546 Cb 0.16 -3.33 -0.04 0.00 0.00 0.00 0.00 23.12 19.91 1uho s ALA 546 CO 0.77 -1.36 0.62 0.08 0.00 0.00 0.00 175.76 175.87 1uho s VAL 547 N -2.35 5.08 -0.53 0.00 1.01 -1.26 -5.02 120.40 117.33 1uho s VAL 547 Ca 0.67 1.28 -0.22 0.00 0.00 0.00 0.00 61.98 63.71 1uho s VAL 547 Cb -0.21 -3.96 0.05 0.00 0.00 0.00 0.00 36.38 32.25 1uho s VAL 547 CO 0.43 0.29 0.79 0.68 0.00 0.00 0.00 175.10 177.29 1uho s VAL 548 N 0.68 4.62 1.14 2.92 -7.23 -1.26 -5.04 120.40 116.23 1uho s VAL 548 Ca 0.34 -0.06 -0.14 0.00 -1.81 0.00 0.00 61.98 60.30 1uho s VAL 548 Cb -0.17 -4.42 0.22 0.00 0.56 0.00 0.00 36.38 32.57 1uho s VAL 548 CO 0.16 -0.96 0.70 -2.65 -0.31 0.00 0.00 175.10 172.04 1uho n PRO 549 N 6.85 -2.08 -1.53 4.82 -0.02 -1.26 -4.97 135.00 136.82 1uho n PRO 549 Ca -0.02 -0.58 -0.31 0.00 -2.02 0.00 0.00 63.50 60.58 1uho n PRO 549 Cb 0.47 -2.03 0.07 0.00 -0.02 0.00 0.00 33.50 31.98 1uho n PRO 549 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1uho s SER 550 N -2.23 5.03 0.21 2.55 1.04 -1.26 -4.86 113.70 114.18 1uho s SER 550 Ca 0.64 1.56 -0.09 0.00 0.48 0.00 0.00 55.95 58.54 1uho s SER 550 Cb -0.21 -2.38 0.15 0.00 0.10 0.00 0.00 66.02 63.68 1uho s SER 550 CO 0.65 -1.66 1.81 0.00 0.98 0.00 0.00 173.24 175.03 1uho h ALA 551 N -0.87 0.99 -0.97 5.32 0.00 -1.93 -0.37 119.26 121.44 1uho h ALA 551 Ca -0.45 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.33 1uho h ALA 551 Cb 1.23 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 18.66 1uho h ALA 551 CO 0.57 0.53 0.63 0.37 0.00 0.00 0.00 179.25 181.35 1uho h GLN 552 N 1.08 1.29 -0.20 0.00 4.15 -1.97 0.19 115.11 119.65 1uho h GLN 552 Ca 0.27 -0.08 -0.12 0.00 0.77 0.00 0.00 58.65 59.49 1uho h GLN 552 Cb 0.08 -0.29 -0.01 0.00 0.21 0.00 0.00 27.48 27.47 1uho h GLN 552 CO -0.04 0.86 -0.37 1.15 -1.93 0.00 0.00 178.83 178.50 1uho h THR 553 N 1.32 1.30 -0.00 2.39 2.02 -1.69 -2.62 112.91 115.62 1uho h THR 553 Ca 0.35 -1.49 0.00 0.00 0.77 0.00 0.00 66.41 66.04 1uho h THR 553 Cb -0.14 1.55 0.00 0.00 -1.74 0.00 0.00 68.15 67.82 1uho h THR 553 CO -0.07 0.46 -0.19 0.18 0.37 0.00 0.00 175.52 176.27 1uho n LEU 554 N -4.05 0.57 -3.48 2.58 4.77 -0.23 -4.94 117.00 112.23 1uho n LEU 554 Ca -0.01 -0.02 -0.25 0.00 -0.03 0.00 0.00 56.01 55.70 1uho n LEU 554 Cb 0.48 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 1uho n LEU 554 CO 0.43 0.11 -0.01 0.29 -1.33 0.00 0.00 177.39 176.89 1uho n LYS 555 N -1.00 -3.88 -0.11 3.23 5.02 0.61 -4.83 118.16 117.20 1uho n LYS 555 Ca 0.12 0.53 0.08 0.00 -2.02 0.00 0.00 58.31 57.03 1uho n LYS 555 Cb 0.31 -5.29 0.29 0.00 -0.02 0.00 0.00 35.03 30.32 1uho n LYS 555 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 1uho n ILE 556 N -4.15 0.28 0.04 -0.18 -5.35 -1.17 -3.67 119.36 105.16 1uho n ILE 556 Ca -0.01 -0.36 0.08 0.00 -0.27 0.00 0.00 62.75 62.19 1uho n ILE 556 Cb 0.54 0.27 -0.08 0.00 -1.74 0.00 0.00 39.64 38.63 1uho n ILE 556 CO 0.00 0.00 0.00 0.41 -1.76 0.00 0.00 176.55 175.20 1uho n THR 557 N 0.30 0.60 -3.13 7.28 -1.04 -1.26 -4.07 114.28 112.95 1uho n THR 557 Ca 0.14 -0.58 -0.39 0.00 -2.04 0.00 0.00 64.05 61.17 1uho n THR 557 Cb 0.29 -0.32 -0.05 0.00 -1.82 0.00 0.00 70.33 68.42 1uho n THR 557 CO 0.00 0.00 0.00 1.51 -0.64 0.00 0.00 175.07 175.94 1uho s ASP 558 N -5.19 7.04 0.38 8.00 1.47 -1.24 -4.42 116.67 122.70 1uho s ASP 558 Ca -0.04 1.24 0.25 0.00 1.18 0.00 0.00 52.55 55.17 1uho s ASP 558 Cb 0.10 -2.40 1.35 0.00 -0.34 0.00 0.00 42.92 41.64 1uho s ASP 558 CO 0.83 0.05 1.76 -0.26 0.68 0.00 0.00 175.17 178.23 1uho h PHE 559 N 5.78 0.00 -0.19 2.11 -1.00 -1.92 -0.91 116.94 120.81 1uho h PHE 559 Ca -0.44 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.34 1uho h PHE 559 Cb 1.20 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.76 1uho h PHE 559 CO 0.65 0.00 0.00 -1.13 -1.61 0.00 0.00 178.31 176.22 1uho n SER 560 N -2.38 1.79 -4.54 2.17 3.41 -1.26 -4.81 113.62 108.00 1uho n SER 560 Ca -0.02 -1.75 -0.39 0.00 -0.26 0.00 0.00 58.87 56.45 1uho n SER 560 Cb 0.05 -0.12 0.03 0.00 -0.26 0.00 0.00 64.21 63.91 1uho n SER 560 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 1uho n PHE 561 N 0.41 0.22 -3.83 7.33 7.35 -0.35 -4.82 117.46 123.77 1uho n PHE 561 Ca 0.16 0.49 -0.12 0.00 -0.76 0.00 0.00 57.45 57.22 1uho n PHE 561 Cb 0.34 -2.08 -0.13 0.00 0.35 0.00 0.00 39.48 37.96 1uho n PHE 561 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1uho s SER 562 N -1.05 -0.10 0.02 -2.13 0.15 -1.26 -4.99 113.70 104.35 1uho s SER 562 Ca 0.68 0.20 0.22 0.00 0.70 0.00 0.00 55.95 57.76 1uho s SER 562 Cb -0.49 0.19 -0.04 0.00 -1.71 0.00 0.00 66.02 63.97 1uho s SER 562 CO 0.54 -0.05 0.96 -0.90 1.20 0.00 0.00 173.24 174.99 1uho n ASP 563 N 3.19 0.65 -0.29 5.45 5.68 -1.26 -4.65 116.55 125.31 1uho n ASP 563 Ca -0.14 -0.43 0.01 0.00 -0.50 0.00 0.00 54.79 53.73 1uho n ASP 563 Cb 0.58 0.95 0.06 0.00 -1.14 0.00 0.00 41.12 41.58 1uho n ASP 563 CO 0.00 0.00 0.00 0.33 -1.33 0.00 0.00 177.20 176.20 1uho n PHE 564 N -1.81 0.13 0.65 2.11 7.35 -1.26 -0.06 117.46 124.58 1uho n PHE 564 Ca 0.02 0.96 0.05 0.00 -0.76 0.00 0.00 57.45 57.72 1uho n PHE 564 Cb 0.41 -0.86 0.17 0.00 0.35 0.00 0.00 39.48 39.55 1uho n PHE 564 CO 0.00 0.00 0.00 -0.85 -0.76 0.00 0.00 176.76 175.15 1uho n GLU 565 N -5.20 2.12 -3.82 -4.13 -0.00 -1.26 -4.90 120.64 103.45 1uho n GLU 565 Ca 0.10 -1.33 -0.35 0.00 -0.00 0.00 0.00 57.16 55.58 1uho n GLU 565 Cb 0.34 -1.45 -0.05 0.00 -0.00 0.00 0.00 31.44 30.29 1uho n GLU 565 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1uho s LEU 566 N -1.09 4.38 0.76 -1.84 1.43 0.92 -5.10 118.68 118.14 1uho s LEU 566 Ca 0.24 0.50 -0.11 0.00 -1.03 0.00 0.00 54.13 53.73 1uho s LEU 566 Cb 0.14 -2.49 0.06 0.00 0.03 0.00 0.00 46.19 43.93 1uho s LEU 566 CO 0.14 0.30 1.12 -0.94 0.23 0.00 0.00 176.35 177.20 1uho s SER 567 N -1.56 4.78 0.33 2.29 1.04 -1.26 -4.88 113.70 114.45 1uho s SER 567 Ca 0.24 0.79 0.03 0.00 0.48 0.00 0.00 55.95 57.50 1uho s SER 567 Cb -0.13 -1.39 0.64 0.00 0.10 0.00 0.00 66.02 65.24 1uho s SER 567 CO 0.13 -1.71 1.93 0.44 0.98 0.00 0.00 173.24 175.02 1uho h ASP 568 N -0.87 0.78 -0.31 7.02 3.45 -1.99 -1.94 116.42 122.57 1uho h ASP 568 Ca -0.45 0.01 -0.03 0.00 0.43 0.00 0.00 57.03 56.98 1uho h ASP 568 Cb 1.31 -0.16 -0.01 0.00 -0.56 0.00 0.00 39.33 39.91 1uho h ASP 568 CO 0.64 0.50 0.09 0.25 -1.57 0.00 0.00 179.24 179.15 1uho h LEU 569 N 0.88 0.45 -1.58 1.55 5.85 -2.00 -2.70 115.31 117.76 1uho h LEU 569 Ca 0.35 -0.21 0.01 0.00 0.84 0.00 0.00 57.88 58.87 1uho h LEU 569 Cb 0.24 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 1uho h LEU 569 CO -0.12 0.55 0.30 -0.33 -0.34 0.00 0.00 178.44 178.49 1uho h GLU 570 N 0.34 0.55 -0.30 1.25 5.08 -1.73 -0.59 114.58 119.19 1uho h GLU 570 Ca 0.10 -0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 58.32 1uho h GLU 570 Cb 0.26 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 1uho h GLU 570 CO -0.00 0.37 -0.21 1.79 -1.00 0.00 0.00 179.01 179.95 1uho h THR 571 N 0.57 1.30 -0.68 1.13 1.35 -1.26 -0.37 112.91 114.94 1uho h THR 571 Ca 0.17 -1.35 -0.02 0.00 -0.55 0.00 0.00 66.41 64.66 1uho h THR 571 Cb -0.01 1.52 -0.03 0.00 -1.73 0.00 0.00 68.15 67.90 1uho h THR 571 CO -0.04 0.43 0.36 0.00 -0.25 0.00 0.00 175.52 176.02 1uho h ALA 572 N 0.73 0.87 -0.50 6.62 0.00 -1.10 0.13 119.26 126.02 1uho h ALA 572 Ca 0.06 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.87 1uho h ALA 572 Cb 0.76 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1uho h ALA 572 CO 0.06 0.40 0.30 -0.07 0.00 0.00 0.00 179.25 179.94 1uho h LEU 573 N 0.93 0.50 -0.64 0.00 3.38 -0.91 0.04 115.31 118.61 1uho h LEU 573 Ca 0.24 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.26 1uho h LEU 573 Cb 0.06 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 40.66 1uho h LEU 573 CO -0.04 0.35 0.37 0.00 0.09 0.00 0.00 178.44 179.21 1uho h THR 575 N 0.69 0.98 -0.41 0.00 2.02 0.30 -0.52 112.91 115.97 1uho h THR 575 Ca 0.28 -0.22 -0.01 0.00 0.77 0.00 0.00 66.41 67.22 1uho h THR 575 Cb 0.13 0.26 -0.02 0.00 -1.74 0.00 0.00 68.15 66.79 1uho h THR 575 CO -0.16 0.12 0.20 0.40 0.37 0.00 0.00 175.52 176.46 1uho h ILE 576 N 0.65 1.17 -0.28 3.11 2.04 -0.14 -1.65 117.51 122.41 1uho h ILE 576 Ca 0.28 -0.46 0.03 0.00 1.00 0.00 0.00 64.86 65.70 1uho h ILE 576 Cb 0.16 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 1uho h ILE 576 CO -0.17 0.18 0.19 -0.09 0.00 0.00 0.00 178.15 178.26 1uho h ARG 577 N 0.52 0.26 -0.13 2.37 9.65 -0.37 0.52 114.38 127.19 1uho h ARG 577 Ca 0.14 -0.02 -0.04 0.00 -1.10 0.00 0.00 59.98 58.96 1uho h ARG 577 Cb 0.10 -0.06 -0.00 0.00 -1.39 0.00 0.00 29.97 28.62 1uho h ARG 577 CO -0.02 0.17 -0.08 0.52 2.80 0.00 0.00 179.97 183.36 1uho h MET 578 N 0.26 0.29 -0.35 0.20 2.86 -0.22 0.67 114.93 118.65 1uho h MET 578 Ca 0.12 -0.13 -0.05 0.00 -2.06 0.00 0.00 59.70 57.57 1uho h MET 578 Cb 0.14 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.78 1uho h MET 578 CO -0.02 0.64 0.01 0.74 1.06 0.00 0.00 176.91 179.34 1uho h PHE 579 N -0.07 0.56 0.41 -0.22 -1.00 -0.69 -2.79 116.94 113.15 1uho h PHE 579 Ca 0.03 -0.05 -0.02 0.00 2.81 0.00 0.00 57.97 60.73 1uho h PHE 579 Cb 0.57 -0.16 0.00 0.00 3.61 0.00 0.00 35.95 39.97 1uho h PHE 579 CO 0.07 0.54 -0.20 1.15 -1.61 0.00 0.00 178.31 178.27 1uho h THR 580 N 0.52 0.00 0.00 -1.55 2.02 -0.69 -1.97 112.91 111.24 1uho h THR 580 Ca 0.11 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 67.06 1uho h THR 580 Cb 0.32 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.73 1uho h THR 580 CO 0.01 0.00 0.00 0.47 0.37 0.00 0.00 175.52 176.37 1uho n ASP 581 N -4.14 0.36 -0.91 4.18 10.43 0.21 0.37 116.55 127.05 1uho n ASP 581 Ca -0.07 0.66 0.10 0.00 2.57 0.00 0.00 54.79 58.05 1uho n ASP 581 Cb 0.22 -0.71 0.26 0.00 1.84 0.00 0.00 41.12 42.73 1uho n ASP 581 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 1uho n LEU 582 N -1.98 2.67 -1.32 0.64 4.77 -1.05 -4.91 117.00 115.82 1uho n LEU 582 Ca -0.01 -1.25 -0.17 0.00 -0.03 0.00 0.00 56.01 54.55 1uho n LEU 582 Cb 0.03 -0.27 -0.07 0.00 -2.33 0.00 0.00 43.42 40.78 1uho n LEU 582 CO 0.07 0.62 -0.16 0.59 -1.33 0.00 0.00 177.39 177.18 1uho n ASN 583 N 0.97 -5.36 0.05 -1.43 5.03 0.16 -4.87 115.26 109.81 1uho n ASN 583 Ca 0.18 0.43 -0.10 0.00 0.87 0.00 0.00 54.58 55.95 1uho n ASN 583 Cb 0.45 -4.37 0.02 0.00 -1.02 0.00 0.00 39.78 34.86 1uho n ASN 583 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.26 175.36 1uho h LEU 584 N 0.00 0.49 -0.03 3.41 3.38 -1.50 -2.03 115.31 119.03 1uho h LEU 584 Ca -0.35 -0.32 0.01 0.00 0.09 0.00 0.00 57.88 57.30 1uho h LEU 584 Cb 1.22 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 1uho h LEU 584 CO 0.52 1.07 -0.03 0.58 0.09 0.00 0.00 178.44 180.67 1uho h VAL 585 N 0.28 0.92 0.09 1.22 2.07 -1.74 -2.38 116.25 116.71 1uho h VAL 585 Ca -0.03 0.00 -0.30 0.00 0.82 0.00 0.00 66.70 67.19 1uho h VAL 585 Cb 1.31 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 31.98 1uho h VAL 585 CO 0.13 0.00 -1.52 0.06 0.02 0.00 0.00 177.57 176.26 1uho h GLN 586 N -0.03 0.19 0.00 1.57 3.07 -1.89 0.26 115.11 118.27 1uho h GLN 586 Ca 0.02 -0.32 -0.01 0.00 0.09 0.00 0.00 58.65 58.43 1uho h GLN 586 Cb 0.07 0.12 -0.00 0.00 0.08 0.00 0.00 27.48 27.75 1uho h GLN 586 CO -0.05 1.02 -0.05 -0.91 0.09 0.00 0.00 178.83 178.92 1uho h ASN 587 N 0.05 0.00 0.00 0.06 4.21 -1.40 -2.77 115.58 115.73 1uho h ASN 587 Ca -0.23 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.28 1uho h ASN 587 Cb 1.99 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 39.19 1uho h ASN 587 CO 0.14 0.05 -0.05 0.49 -1.29 0.00 0.00 177.43 176.77 1uho n PHE 588 N -3.26 0.00 -3.86 1.19 3.01 -0.90 -5.03 117.46 108.61 1uho n PHE 588 Ca -0.01 -0.73 -0.36 0.00 1.01 0.00 0.00 57.45 57.35 1uho n PHE 588 Cb 0.24 -0.11 0.02 0.00 -0.01 0.00 0.00 39.48 39.63 1uho n PHE 588 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 1uho n GLN 589 N -1.00 -0.81 -3.14 -1.08 6.02 -0.90 -4.71 117.38 111.75 1uho n GLN 589 Ca 0.10 0.37 -0.39 0.00 -0.01 0.00 0.00 57.00 57.07 1uho n GLN 589 Cb 0.54 -3.11 -0.05 0.00 1.02 0.00 0.00 30.24 28.63 1uho n GLN 589 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 1uho s MET 590 N -6.36 4.36 -0.18 -1.09 -1.94 0.86 -4.90 119.30 110.06 1uho s MET 590 Ca 0.38 0.83 -0.28 0.00 -1.71 0.00 0.00 55.69 54.91 1uho s MET 590 Cb -0.18 -3.35 -0.00 0.00 2.01 0.00 0.00 34.83 33.31 1uho s MET 590 CO 0.92 0.35 0.96 0.15 -0.01 0.00 0.00 175.02 177.39 1uho s LYS 591 N -0.18 4.31 0.24 2.03 3.01 -1.26 -4.89 119.74 123.01 1uho s LYS 591 Ca 0.33 1.26 -0.09 0.00 -1.01 0.00 0.00 55.97 56.45 1uho s LYS 591 Cb -0.19 -3.59 0.38 0.00 -1.01 0.00 0.00 37.83 33.42 1uho s LYS 591 CO 0.19 -0.45 1.61 1.25 0.51 0.00 0.00 175.35 178.45 1uho h HIS 592 N 7.33 -0.29 -0.73 3.18 -0.00 -1.98 -0.15 115.15 122.52 1uho h HIS 592 Ca -0.25 0.07 -0.02 0.00 -0.00 0.00 0.00 60.37 60.16 1uho h HIS 592 Cb 1.11 0.25 -0.03 0.00 -0.00 0.00 0.00 27.41 28.73 1uho h HIS 592 CO 0.73 -0.32 0.38 1.49 -0.00 0.00 0.00 177.93 180.21 1uho h GLU 593 N 0.03 1.02 -0.19 5.26 4.81 -1.95 -1.95 114.58 121.60 1uho h GLU 593 Ca 0.40 -0.12 -0.14 0.00 -0.13 0.00 0.00 59.36 59.37 1uho h GLU 593 Cb 0.65 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.83 1uho h GLU 593 CO -0.77 0.76 -0.45 0.28 -0.73 0.00 0.00 179.01 178.10 1uho h VAL 594 N 1.02 1.31 -0.42 0.32 2.07 -1.31 -1.92 116.25 117.33 1uho h VAL 594 Ca 0.25 -1.64 -0.06 0.00 0.82 0.00 0.00 66.70 66.07 1uho h VAL 594 Cb 0.06 1.65 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 1uho h VAL 594 CO -0.04 0.51 0.01 0.25 0.02 0.00 0.00 177.57 178.32 1uho h LEU 595 N 0.39 0.71 -0.60 2.57 7.12 -0.85 -1.31 115.31 123.35 1uho h LEU 595 Ca 0.03 -0.30 -0.03 0.00 0.13 0.00 0.00 57.88 57.71 1uho h LEU 595 Cb 0.94 -0.19 -0.03 0.00 -0.53 0.00 0.00 40.66 40.86 1uho h LEU 595 CO 0.08 0.84 0.27 0.00 -0.13 0.00 0.00 178.44 179.50 1uho h ARG 597 N 0.83 0.37 -0.02 0.00 2.43 -1.23 -1.21 114.38 115.55 1uho h ARG 597 Ca 0.20 -0.07 0.02 0.00 -0.81 0.00 0.00 59.98 59.32 1uho h ARG 597 Cb 0.15 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 1uho h ARG 597 CO -0.02 0.42 -0.08 2.35 -1.51 0.00 0.00 179.97 181.13 1uho h TRP 598 N 0.24 -0.20 -0.96 2.20 7.01 -0.98 0.21 115.95 123.47 1uho h TRP 598 Ca 0.08 0.01 0.11 0.00 2.11 0.00 0.00 58.89 61.19 1uho h TRP 598 Cb 0.19 0.09 -0.07 0.00 -2.10 0.00 0.00 29.16 27.27 1uho h TRP 598 CO -0.01 -0.13 0.61 0.82 -2.79 0.00 0.00 178.44 176.95 1uho h ILE 599 N -0.13 0.96 -0.14 2.65 2.04 -0.89 0.21 117.51 122.20 1uho h ILE 599 Ca 0.04 -0.33 -0.17 0.00 1.00 0.00 0.00 64.86 65.39 1uho h ILE 599 Cb 0.18 -0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 36.17 1uho h ILE 599 CO -0.10 0.18 -0.64 -0.07 0.00 0.00 0.00 178.15 177.52 1uho h LEU 600 N 0.97 0.59 -0.49 1.44 3.38 -0.52 -1.56 115.31 119.13 1uho h LEU 600 Ca 0.46 -0.35 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 1uho h LEU 600 Cb 0.43 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1uho h LEU 600 CO -0.22 1.08 0.06 0.28 0.09 0.00 0.00 178.44 179.73 1uho h SER 601 N 0.38 0.79 -0.21 -0.43 0.02 1.00 -0.62 113.55 114.47 1uho h SER 601 Ca -0.01 -0.27 -0.03 0.00 -0.84 0.00 0.00 61.79 60.64 1uho h SER 601 Cb 1.20 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.52 1uho h SER 601 CO 0.12 0.87 0.03 0.58 -1.14 0.00 0.00 176.83 177.28 1uho h VAL 602 N 0.69 1.23 -0.49 2.27 2.07 -0.61 -2.26 116.25 119.15 1uho h VAL 602 Ca 0.14 -0.78 -0.01 0.00 0.82 0.00 0.00 66.70 66.88 1uho h VAL 602 Cb 0.43 1.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 1uho h VAL 602 CO 0.01 0.24 0.25 0.50 0.02 0.00 0.00 177.57 178.60 1uho h LYS 603 N 0.15 0.67 -0.21 1.57 3.64 -1.22 -2.92 116.57 118.26 1uho h LYS 603 Ca 0.06 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 1uho h LYS 603 Cb 0.34 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 1uho h LYS 603 CO 0.01 0.51 0.05 -0.22 -2.27 0.00 0.00 179.45 177.53 1uho h LYS 604 N 0.68 0.34 -0.09 1.90 3.64 -0.86 -2.97 116.57 119.21 1uho h LYS 604 Ca 0.17 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1uho h LYS 604 Cb 0.04 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1uho h LYS 604 CO -0.03 0.45 0.00 0.09 -2.27 0.00 0.00 179.45 177.70 1uho n ASN 605 N -4.76 0.09 -4.64 4.20 4.13 -0.87 -4.57 115.26 108.83 1uho n ASN 605 Ca -0.04 -0.69 -0.33 0.00 1.68 0.00 0.00 54.58 55.20 1uho n ASN 605 Cb 0.17 -0.05 -0.10 0.00 -1.54 0.00 0.00 39.78 38.26 1uho n ASN 605 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 1uho s TYR 606 N -1.74 3.03 -0.32 3.10 1.51 -1.12 -1.21 117.35 120.60 1uho s TYR 606 Ca 0.00 0.08 -0.16 0.00 -1.01 0.00 0.00 57.07 55.98 1uho s TYR 606 Cb 0.00 -1.70 -0.02 0.00 -0.11 0.00 0.00 41.96 40.13 1uho s TYR 606 CO 0.00 0.42 0.39 1.03 -1.11 0.00 0.00 175.55 176.28 1uho s ARG 607 N -1.17 3.73 0.37 -0.62 0.52 -1.26 -4.83 118.95 115.69 1uho s ARG 607 Ca 0.16 -0.22 0.07 0.00 -0.52 0.00 0.00 55.73 55.22 1uho s ARG 607 Cb -0.11 -3.75 0.73 0.00 0.52 0.00 0.00 34.95 32.34 1uho s ARG 607 CO 0.06 -0.46 1.92 0.87 0.02 0.00 0.00 175.30 177.71 1uho h LYS 608 N 8.37 0.39 0.00 3.54 1.57 -1.94 -2.48 116.57 126.01 1uho h LYS 608 Ca -0.30 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.41 1uho h LYS 608 Cb 1.15 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.40 1uho h LYS 608 CO 0.69 0.43 0.00 0.27 -0.57 0.00 0.00 179.45 180.27 1uho n ASN 609 N -4.31 0.60 -4.60 0.86 0.23 -1.26 -4.41 115.26 102.37 1uho n ASN 609 Ca 0.01 0.72 -0.43 0.00 -0.53 0.00 0.00 54.58 54.35 1uho n ASN 609 Cb 0.23 -0.82 -0.03 0.00 -2.08 0.00 0.00 39.78 37.07 1uho n ASN 609 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1uho s VAL 610 N -3.45 4.47 0.09 3.53 1.01 -0.94 -4.97 120.40 120.14 1uho s VAL 610 Ca 0.00 1.18 -0.17 0.00 0.00 0.00 0.00 61.98 62.99 1uho s VAL 610 Cb 0.07 -4.42 -0.04 0.00 0.00 0.00 0.00 36.38 31.99 1uho s VAL 610 CO 0.27 -0.69 1.27 0.00 0.00 0.00 0.00 175.10 175.95 1uho n ALA 611 N 7.09 -0.35 -0.12 5.51 0.00 -1.26 -4.25 120.51 127.14 1uho n ALA 611 Ca 0.09 0.47 -0.21 0.00 0.00 0.00 0.00 53.44 53.79 1uho n ALA 611 Cb 0.48 0.13 -0.07 0.00 0.00 0.00 0.00 19.45 20.00 1uho n ALA 611 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1uho n TYR 612 N -4.24 0.00 -2.19 0.00 9.36 -1.25 -4.79 117.16 114.04 1uho n TYR 612 Ca 0.01 0.00 -0.36 0.00 3.32 0.00 0.00 57.90 60.87 1uho n TYR 612 Cb 0.14 -0.77 -0.03 0.00 -0.63 0.00 0.00 39.34 38.05 1uho n TYR 612 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 1uho n HIS 613 N -4.34 3.52 -3.84 2.98 8.25 -1.26 -4.32 115.22 116.21 1uho n HIS 613 Ca -0.36 -2.14 0.00 0.00 -0.26 0.00 0.00 57.72 54.95 1uho n HIS 613 Cb 0.72 -2.56 0.00 0.00 1.12 0.00 0.00 29.99 29.27 1uho n HIS 613 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1uho n ASN 614 N 10.97 0.17 -0.22 0.41 0.23 -1.26 -4.68 115.26 120.87 1uho n ASN 614 Ca 0.47 -0.84 0.03 0.00 -0.53 0.00 0.00 54.58 53.71 1uho n ASN 614 Cb 0.45 0.00 0.14 0.00 -2.08 0.00 0.00 39.78 38.29 1uho n ASN 614 CO 0.00 0.00 0.00 -0.25 -0.93 0.00 0.00 177.26 176.08 1uho h TRP 615 N 0.84 0.25 -0.69 -2.53 2.91 -1.86 -1.14 115.95 113.73 1uho h TRP 615 Ca 0.00 0.04 0.05 0.00 1.13 0.00 0.00 58.89 60.11 1uho h TRP 615 Cb 0.00 -0.01 -0.04 0.00 -0.51 0.00 0.00 29.16 28.60 1uho h TRP 615 CO 0.00 -0.04 0.45 0.00 -1.03 0.00 0.00 178.44 177.82 1uho h ARG 616 N 0.28 0.73 0.03 2.65 2.47 -1.97 0.34 114.38 118.91 1uho h ARG 616 Ca 0.36 -0.04 -0.00 0.00 -1.26 0.00 0.00 59.98 59.03 1uho h ARG 616 Cb 0.56 -0.17 0.00 0.00 -1.65 0.00 0.00 29.97 28.72 1uho h ARG 616 CO -0.44 0.49 -0.02 1.25 0.56 0.00 0.00 179.97 181.81 1uho h HIS 617 N 0.76 -0.04 -0.97 3.04 -0.00 -1.42 -0.99 115.15 115.53 1uho h HIS 617 Ca 0.29 -0.00 0.01 0.00 -0.00 0.00 0.00 60.37 60.67 1uho h HIS 617 Cb 0.18 0.01 -0.05 0.00 -0.00 0.00 0.00 27.41 27.56 1uho h HIS 617 CO -0.00 0.24 0.64 0.00 -0.00 0.00 0.00 177.93 178.81 1uho h ALA 618 N 0.63 1.31 -0.57 5.26 0.00 -0.83 -0.25 119.26 124.81 1uho h ALA 618 Ca -0.00 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 1uho h ALA 618 Cb 0.30 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1uho h ALA 618 CO 0.01 0.64 0.05 0.35 0.00 0.00 0.00 179.25 180.30 1uho h PHE 619 N 1.31 1.05 -0.10 0.00 3.57 -0.27 -1.79 116.94 120.71 1uho h PHE 619 Ca 0.36 -0.16 -0.17 0.00 3.53 0.00 0.00 57.97 61.52 1uho h PHE 619 Cb -0.15 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.30 1uho h PHE 619 CO -0.00 0.93 -0.66 -0.91 -2.23 0.00 0.00 178.31 175.44 1uho h ASN 620 N 0.86 0.47 -0.52 0.41 2.35 -0.75 0.32 115.58 118.72 1uho h ASN 620 Ca 0.17 -0.29 -0.07 0.00 -0.55 0.00 0.00 56.30 55.56 1uho h ASN 620 Cb 0.48 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.69 1uho h ASN 620 CO 0.02 1.00 0.09 0.74 -1.65 0.00 0.00 177.43 177.63 1uho h THR 621 N 0.30 1.25 -0.12 2.81 2.02 -0.91 -1.03 112.91 117.23 1uho h THR 621 Ca -0.02 -0.95 -0.20 0.00 0.77 0.00 0.00 66.41 66.02 1uho h THR 621 Cb 1.21 0.71 0.00 0.00 -1.74 0.00 0.00 68.15 68.33 1uho h THR 621 CO 0.11 0.35 -0.73 0.00 0.37 0.00 0.00 175.52 175.62 1uho h ALA 622 N 1.22 0.50 -0.09 6.16 0.00 -1.11 -2.63 119.26 123.32 1uho h ALA 622 Ca 0.18 -0.60 -0.07 0.00 0.00 0.00 0.00 54.91 54.42 1uho h ALA 622 Cb 0.39 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1uho h ALA 622 CO 0.01 0.73 -0.26 0.37 0.00 0.00 0.00 179.25 180.10 1uho h GLN 623 N 0.39 0.15 -0.15 0.00 -0.00 -0.53 -1.39 115.11 113.58 1uho h GLN 623 Ca -0.04 -0.05 -0.19 0.00 -0.00 0.00 0.00 58.65 58.38 1uho h GLN 623 Cb 1.33 -0.01 -0.00 0.00 0.00 0.00 0.00 27.48 28.79 1uho h GLN 623 CO 0.14 0.41 -0.67 0.00 0.00 0.00 0.00 178.83 178.71 1uho h MET 625 N 0.42 0.01 0.13 0.00 1.85 -1.02 0.13 114.93 116.44 1uho h MET 625 Ca -0.02 -0.00 0.01 0.00 -0.61 0.00 0.00 59.70 59.08 1uho h MET 625 Cb 1.24 -0.00 -0.02 0.00 0.43 0.00 0.00 31.60 33.25 1uho h MET 625 CO 0.13 0.01 -0.16 0.35 -0.40 0.00 0.00 176.91 176.83 1uho h PHE 626 N 0.01 -0.43 -0.10 1.39 3.57 -1.14 0.70 116.94 120.95 1uho h PHE 626 Ca 0.04 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.58 1uho h PHE 626 Cb 0.06 0.17 -0.04 0.00 2.79 0.00 0.00 35.95 38.93 1uho h PHE 626 CO -0.14 -0.25 -0.13 0.00 -2.23 0.00 0.00 178.31 175.57 1uho h ALA 627 N 0.49 -0.06 -0.70 2.41 0.00 -0.97 0.23 119.26 120.65 1uho h ALA 627 Ca 0.01 0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.03 1uho h ALA 627 Cb 0.34 0.26 -0.06 0.00 0.00 0.00 0.00 17.79 18.33 1uho h ALA 627 CO -0.07 -0.59 0.39 0.00 0.00 0.00 0.00 179.25 178.98 1uho h ALA 628 N 0.88 0.95 -0.44 0.00 0.00 -0.54 0.70 119.26 120.82 1uho h ALA 628 Ca 0.08 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1uho h ALA 628 Cb 0.28 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1uho h ALA 628 CO -0.20 0.06 0.23 -0.07 0.00 0.00 0.00 179.25 179.26 1uho h LEU 629 N 0.70 0.55 0.00 0.00 4.07 -0.14 -1.97 115.31 118.53 1uho h LEU 629 Ca 0.32 -0.10 0.00 0.00 0.08 0.00 0.00 57.88 58.18 1uho h LEU 629 Cb 0.23 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 41.83 1uho h LEU 629 CO -0.20 0.50 0.00 0.29 -1.08 0.00 0.00 178.44 177.95 1uho n LYS 630 N -4.69 0.00 -0.04 1.13 4.76 0.76 -1.62 118.16 118.46 1uho n LYS 630 Ca 0.01 0.09 0.09 0.00 -2.87 0.00 0.00 58.31 55.63 1uho n LYS 630 Cb 0.09 -0.46 0.48 0.00 -1.84 0.00 0.00 35.03 33.30 1uho n LYS 630 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1uho h ALA 631 N -2.00 1.90 -0.01 7.82 0.00 0.13 -0.92 119.26 126.18 1uho h ALA 631 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1uho h ALA 631 Cb 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1uho h ALA 631 CO 0.00 0.01 -0.02 0.41 0.00 0.00 0.00 179.25 179.66 1uho n GLY 632 N -1.50 -0.52 3.87 0.00 0.00 -0.30 -4.81 105.19 101.93 1uho n GLY 632 Ca 0.07 -0.33 -0.24 0.00 0.00 0.00 0.00 46.02 45.52 1uho n GLY 632 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1uho n LYS 633 N -0.44 -4.01 -0.00 1.61 4.76 -0.35 -4.48 118.16 115.25 1uho n LYS 633 Ca 0.20 0.49 0.10 0.00 -2.87 0.00 0.00 58.31 56.23 1uho n LYS 633 Cb 0.25 -4.84 -0.13 0.00 -1.84 0.00 0.00 35.03 28.47 1uho n LYS 633 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 1uho n ILE 634 N -4.37 0.00 -0.21 -0.18 2.08 -0.84 -4.51 119.36 111.33 1uho n ILE 634 Ca -0.27 -0.14 -0.07 0.00 0.56 0.00 0.00 62.75 62.82 1uho n ILE 634 Cb 0.67 0.74 0.03 0.00 -0.75 0.00 0.00 39.64 40.33 1uho n ILE 634 CO 0.00 0.00 0.00 -0.61 0.56 0.00 0.00 176.55 176.50 1uho h GLN 635 N 0.00 0.86 0.00 0.38 4.15 -1.55 -2.23 115.11 116.72 1uho h GLN 635 Ca 0.00 -0.13 0.00 0.00 0.77 0.00 0.00 58.65 59.29 1uho h GLN 635 Cb 0.60 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 28.14 1uho h GLN 635 CO 0.00 0.70 0.00 0.27 -1.93 0.00 0.00 178.83 177.87 1uho n ASN 636 N -4.52 0.58 0.14 -0.69 6.94 -1.26 -2.22 115.26 114.22 1uho n ASN 636 Ca 0.04 0.67 0.07 0.00 -0.02 0.00 0.00 54.58 55.34 1uho n ASN 636 Cb 0.13 -0.78 0.05 0.00 -2.36 0.00 0.00 39.78 36.81 1uho n ASN 636 CO 0.00 0.00 0.00 0.11 -1.03 0.00 0.00 177.26 176.34 1uho h LYS 637 N 0.00 0.00 -6.04 -3.83 1.57 -1.68 -3.47 116.57 103.12 1uho h LYS 637 Ca 0.00 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.22 1uho h LYS 637 Cb 0.25 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.48 1uho h LYS 637 CO 0.00 0.19 -0.56 -0.51 -0.57 0.00 0.00 179.45 178.00 1uho s LEU 638 N -6.01 3.14 0.33 2.94 1.43 -0.94 -5.07 118.68 114.49 1uho s LEU 638 Ca 0.03 -0.89 -0.04 0.00 -1.03 0.00 0.00 54.13 52.20 1uho s LEU 638 Cb 0.07 -1.56 -0.05 0.00 0.03 0.00 0.00 46.19 44.68 1uho s LEU 638 CO 0.74 -0.31 0.59 0.42 0.23 0.00 0.00 176.35 178.03 1uho s THR 639 N -2.48 5.01 0.39 5.49 -4.23 -1.26 -4.93 115.64 113.63 1uho s THR 639 Ca 0.37 0.02 0.12 0.00 -1.18 0.00 0.00 61.69 61.02 1uho s THR 639 Cb -0.01 -3.77 0.33 0.00 1.34 0.00 0.00 72.50 70.39 1uho s THR 639 CO 0.21 -0.44 1.91 0.44 -0.54 0.00 0.00 174.62 176.21 1uho h ASP 640 N 1.32 0.53 -0.20 3.99 3.45 -1.98 0.06 116.42 123.60 1uho h ASP 640 Ca -0.48 0.03 -0.13 0.00 0.43 0.00 0.00 57.03 56.88 1uho h ASP 640 Cb 1.20 -0.08 -0.01 0.00 -0.56 0.00 0.00 39.33 39.87 1uho h ASP 640 CO 0.65 0.29 -0.32 -0.07 -1.57 0.00 0.00 179.24 178.21 1uho h LEU 641 N 0.57 0.73 -0.39 1.55 3.38 -1.98 0.20 115.31 119.37 1uho h LEU 641 Ca 0.38 -0.30 -0.11 0.00 0.09 0.00 0.00 57.88 57.94 1uho h LEU 641 Cb 0.69 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 1uho h LEU 641 CO -0.15 1.00 -0.19 -0.33 0.09 0.00 0.00 178.44 178.86 1uho h GLU 642 N 0.60 0.83 -0.18 1.13 5.08 -1.53 -1.79 114.58 118.71 1uho h GLU 642 Ca 0.07 -0.36 -0.02 0.00 -1.00 0.00 0.00 59.36 58.04 1uho h GLU 642 Cb 0.84 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.06 1uho h GLU 642 CO 0.07 1.00 0.03 0.82 -1.00 0.00 0.00 179.01 179.93 1uho h ILE 643 N 0.63 1.22 -0.53 3.13 2.04 -0.87 -0.52 117.51 122.61 1uho h ILE 643 Ca 0.09 -0.70 0.08 0.00 1.00 0.00 0.00 64.86 65.33 1uho h ILE 643 Cb 0.75 1.35 -0.07 0.00 -0.74 0.00 0.00 36.82 38.11 1uho h ILE 643 CO 0.06 0.21 0.15 0.25 0.00 0.00 0.00 178.15 178.82 1uho h LEU 644 N 0.08 0.10 -0.30 1.44 5.85 -0.55 -0.38 115.31 121.56 1uho h LEU 644 Ca 0.05 0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.81 1uho h LEU 644 Cb 0.30 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 1uho h LEU 644 CO 0.00 0.08 0.00 0.00 -0.34 0.00 0.00 178.44 178.18 1uho h ALA 645 N 1.38 0.40 -0.69 1.25 0.00 -1.19 -2.48 119.26 117.94 1uho h ALA 645 Ca 0.26 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1uho h ALA 645 Cb 0.33 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1uho h ALA 645 CO -0.30 0.15 0.45 -0.07 0.00 0.00 0.00 179.25 179.47 1uho h LEU 646 N 0.32 0.79 -0.22 0.00 3.38 -0.61 0.48 115.31 119.45 1uho h LEU 646 Ca 0.08 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1uho h LEU 646 Cb 0.43 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1uho h LEU 646 CO 0.01 0.58 0.11 0.25 0.09 0.00 0.00 178.44 179.48 1uho h LEU 647 N 0.93 0.29 -0.31 1.67 6.46 -1.04 0.15 115.31 123.46 1uho h LEU 647 Ca 0.25 -0.13 -0.01 0.00 -0.12 0.00 0.00 57.88 57.87 1uho h LEU 647 Cb -0.09 -0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 39.75 1uho h LEU 647 CO -0.05 0.33 0.15 0.40 -0.62 0.00 0.00 178.44 178.65 1uho h ILE 648 N 0.23 1.16 -0.41 4.05 2.04 -1.14 -2.15 117.51 121.28 1uho h ILE 648 Ca 0.08 -0.45 0.02 0.00 1.00 0.00 0.00 64.86 65.51 1uho h ILE 648 Cb 0.12 0.88 -0.03 0.00 -0.74 0.00 0.00 36.82 37.05 1uho h ILE 648 CO -0.01 0.16 0.22 0.00 0.00 0.00 0.00 178.15 178.53 1uho h ALA 649 N 1.00 0.51 -0.61 1.87 0.00 0.21 -1.56 119.26 120.69 1uho h ALA 649 Ca 0.11 0.00 0.08 0.00 0.00 0.00 0.00 54.91 55.10 1uho h ALA 649 Cb 0.12 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.75 1uho h ALA 649 CO -0.01 -0.12 0.27 0.00 0.00 0.00 0.00 179.25 179.39 1uho h ALA 650 N 1.20 0.81 -0.03 0.00 0.00 -0.48 0.48 119.26 121.23 1uho h ALA 650 Ca 0.17 0.06 -0.13 0.00 0.00 0.00 0.00 54.91 55.00 1uho h ALA 650 Cb 0.04 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1uho h ALA 650 CO -0.10 -0.12 -0.59 -0.07 0.00 0.00 0.00 179.25 178.37 1uho h LEU 651 N 0.49 0.13 -2.90 0.00 3.38 -0.99 -3.30 115.31 112.10 1uho h LEU 651 Ca 0.30 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1uho h LEU 651 Cb 0.31 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1uho h LEU 651 CO -0.26 0.69 0.00 -1.54 0.09 0.00 0.00 178.44 177.42 1uho n SER 652 N -3.86 2.97 0.26 -0.43 3.41 -0.62 -4.72 113.62 110.62 1uho n SER 652 Ca -0.02 -2.05 0.18 0.00 -0.26 0.00 0.00 58.87 56.72 1uho n SER 652 Cb 0.60 -0.24 0.91 0.00 -0.26 0.00 0.00 64.21 65.21 1uho n SER 652 CO 0.00 0.00 0.00 1.12 -0.16 0.00 0.00 175.04 176.00 1uho h HIS 653 N 2.00 0.00 0.00 7.33 2.07 -0.14 -2.91 115.15 123.51 1uho h HIS 653 Ca 0.00 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.49 1uho h HIS 653 Cb 0.76 0.00 -0.06 0.00 2.57 0.00 0.00 27.41 30.69 1uho h HIS 653 CO 0.24 0.00 -0.39 -0.25 -3.07 0.00 0.00 177.93 174.46 1uho n ASP 654 N -2.74 1.39 -4.64 3.10 8.00 -1.26 -4.86 116.55 115.54 1uho n ASP 654 Ca -0.02 -2.81 -0.52 0.00 0.71 0.00 0.00 54.79 52.16 1uho n ASP 654 Cb 0.09 -0.37 -0.06 0.00 -0.02 0.00 0.00 41.12 40.77 1uho n ASP 654 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1uho n LEU 655 N -0.70 2.16 -1.73 0.64 4.77 -1.10 -1.90 117.00 119.14 1uho n LEU 655 Ca 0.11 1.09 -0.15 0.00 -0.03 0.00 0.00 56.01 57.03 1uho n LEU 655 Cb 0.74 -1.23 -0.00 0.00 -2.33 0.00 0.00 43.42 40.60 1uho n LEU 655 CO -0.01 -0.72 -0.17 -0.67 -1.33 0.00 0.00 177.39 174.49 1uho n ASP 656 N 3.58 -4.50 -4.76 -1.43 2.03 -0.35 -4.35 116.55 106.78 1uho n ASP 656 Ca 0.20 -0.03 -0.39 0.00 0.52 0.00 0.00 54.79 55.09 1uho n ASP 656 Cb 0.20 -3.62 0.02 0.00 -0.72 0.00 0.00 41.12 37.00 1uho n ASP 656 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 1uho s HIS 657 N -2.76 2.45 -0.97 -0.67 5.65 -0.80 -4.92 115.29 113.27 1uho s HIS 657 Ca 0.02 1.32 0.10 0.00 0.25 0.00 0.00 55.06 56.74 1uho s HIS 657 Cb -0.01 -3.85 0.20 0.00 -1.18 0.00 0.00 32.58 27.75 1uho s HIS 657 CO 0.03 -2.81 1.08 0.54 -0.65 0.00 0.00 174.74 172.93 1uho n ARG 658 N -0.41 2.00 -0.69 2.88 3.00 -1.26 -4.63 116.66 117.55 1uho n ARG 658 Ca 0.07 -1.67 0.00 0.00 -0.01 0.00 0.00 57.85 56.23 1uho n ARG 658 Cb 0.43 -1.22 0.00 0.00 0.00 0.00 0.00 32.46 31.67 1uho n ARG 658 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1uho n GLY 659 N 0.46 0.63 3.41 -0.13 0.00 -1.26 -5.02 105.19 103.27 1uho n GLY 659 Ca 0.09 -0.27 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 1uho n GLY 659 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1uho s VAL 660 N -2.00 5.01 0.46 1.61 1.01 -1.26 -4.72 120.40 120.50 1uho s VAL 660 Ca 0.00 -0.85 0.07 0.00 0.00 0.00 0.00 61.98 61.20 1uho s VAL 660 Cb 0.00 -3.85 -0.01 0.00 0.00 0.00 0.00 36.38 32.52 1uho s VAL 660 CO 0.00 -0.36 0.36 0.20 0.00 0.00 0.00 175.10 175.29 1uho s ASN 661 N 1.87 4.79 0.00 3.32 0.01 -1.26 -5.10 114.94 118.57 1uho s ASN 661 Ca 0.04 -0.97 0.00 0.00 -0.71 0.00 0.00 52.86 51.22 1uho s ASN 661 Cb -0.20 -0.22 0.00 0.00 0.41 0.00 0.00 41.25 41.23 1uho s ASN 661 CO 0.08 -0.79 0.00 0.59 -1.51 0.00 0.00 177.10 175.47 1uho n ASN 662 N -1.57 0.63 0.03 -1.22 3.02 -1.26 -5.11 115.26 109.77 1uho n ASN 662 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.56 1uho n ASN 662 Cb 0.63 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.80 1uho n ASN 662 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1uho n SER 663 N 0.00 0.50 0.00 6.41 7.64 -1.26 -5.13 113.62 121.78 1uho n SER 663 Ca 0.00 0.07 0.00 0.00 1.01 0.00 0.00 58.87 59.95 1uho n SER 663 Cb 0.00 -0.15 0.00 0.00 -1.01 0.00 0.00 64.21 63.05 1uho n SER 663 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1uho n TYR 664 N -3.23 -0.46 -4.08 1.43 4.02 -1.26 -5.13 117.16 108.45 1uho n TYR 664 Ca 0.00 0.00 -0.35 0.00 -0.01 0.00 0.00 57.90 57.54 1uho n TYR 664 Cb 0.25 0.23 -0.12 0.00 -0.02 0.00 0.00 39.34 39.68 1uho n TYR 664 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 176.86 175.38 1uho s TYR 676 N -0.45 3.10 -2.08 -0.72 5.04 -1.26 -4.05 117.35 116.92 1uho s TYR 676 Ca 0.00 -0.28 0.29 0.00 -2.44 0.00 0.00 57.07 54.64 1uho s TYR 676 Cb 0.00 -2.08 1.28 0.00 0.35 0.00 0.00 41.96 41.51 1uho s TYR 676 CO 0.00 -0.11 1.88 0.00 -1.34 0.00 0.00 175.55 175.98 1uho n HIS 678 N -0.49 -1.14 -3.32 0.00 8.25 -1.26 -3.80 115.22 113.47 1uho n HIS 678 Ca 0.18 0.26 -0.19 0.00 -0.26 0.00 0.00 57.72 57.71 1uho n HIS 678 Cb 0.27 -3.23 -0.02 0.00 1.12 0.00 0.00 29.99 28.13 1uho n HIS 678 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1uho n SER 679 N -0.95 -2.14 -0.18 0.41 7.64 -1.26 -4.84 113.62 112.30 1uho n SER 679 Ca -0.10 -0.26 -0.01 0.00 1.01 0.00 0.00 58.87 59.51 1uho n SER 679 Cb 0.59 -1.87 0.06 0.00 -1.01 0.00 0.00 64.21 61.99 1uho n SER 679 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1uho h ILE 680 N -0.51 0.50 -0.25 0.44 1.08 -2.01 -0.68 117.51 116.08 1uho h ILE 680 Ca -0.30 -0.02 0.04 0.00 -0.39 0.00 0.00 64.86 64.18 1uho h ILE 680 Cb 1.20 0.44 -0.03 0.00 -3.07 0.00 0.00 36.82 35.36 1uho h ILE 680 CO 0.42 0.01 0.03 -0.03 -0.69 0.00 0.00 178.15 177.90 1uho h MET 681 N 0.05 0.12 -0.32 2.37 4.05 -1.92 -2.25 114.93 117.03 1uho h MET 681 Ca 0.28 -0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.68 1uho h MET 681 Cb 0.43 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 31.19 1uho h MET 681 CO -0.52 0.08 0.16 0.93 0.23 0.00 0.00 176.91 177.79 1uho h GLU 682 N 0.12 0.44 -0.57 0.39 4.39 -1.70 -1.88 114.58 115.77 1uho h GLU 682 Ca 0.12 -0.04 -0.08 0.00 0.34 0.00 0.00 59.36 59.70 1uho h GLU 682 Cb 0.13 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.66 1uho h GLU 682 CO -0.17 0.34 0.05 0.45 -1.16 0.00 0.00 179.01 178.52 1uho h HIS 683 N 0.45 1.02 -0.50 4.33 3.86 -0.56 -1.83 115.15 121.91 1uho h HIS 683 Ca 0.12 -0.14 -0.11 0.00 -1.16 0.00 0.00 60.37 59.07 1uho h HIS 683 Cb 0.04 -0.28 -0.02 0.00 1.06 0.00 0.00 27.41 28.22 1uho h HIS 683 CO 0.00 0.89 -0.14 1.25 0.86 0.00 0.00 177.93 180.79 1uho h HIS 684 N 0.89 1.08 -0.54 2.45 -0.00 -1.10 -1.92 115.15 116.02 1uho h HIS 684 Ca 0.17 -0.23 -0.01 0.00 -0.00 0.00 0.00 60.37 60.31 1uho h HIS 684 Cb 0.45 -0.26 -0.03 0.00 -0.00 0.00 0.00 27.41 27.57 1uho h HIS 684 CO 0.03 1.02 0.31 0.45 -0.00 0.00 0.00 177.93 179.74 1uho h HIS 685 N 0.85 0.70 -0.07 5.26 -0.00 -1.06 -1.22 115.15 119.61 1uho h HIS 685 Ca 0.13 -0.00 -0.06 0.00 -0.00 0.00 0.00 60.37 60.43 1uho h HIS 685 Cb 0.69 -0.23 0.00 0.00 -0.00 0.00 0.00 27.41 27.87 1uho h HIS 685 CO 0.04 0.48 -0.21 0.35 -0.00 0.00 0.00 177.93 178.60 1uho h PHE 686 N 0.74 0.35 -0.88 2.45 3.57 -0.98 -1.81 116.94 120.37 1uho h PHE 686 Ca 0.19 -0.14 0.11 0.00 3.53 0.00 0.00 57.97 61.67 1uho h PHE 686 Cb -0.00 -0.06 -0.08 0.00 2.79 0.00 0.00 35.95 38.60 1uho h PHE 686 CO 0.00 0.82 0.51 -0.44 -2.23 0.00 0.00 178.31 176.98 1uho h ASP 687 N -0.23 0.72 -0.45 0.41 3.32 -1.04 0.47 116.42 119.62 1uho h ASP 687 Ca -0.01 0.06 -0.05 0.00 0.02 0.00 0.00 57.03 57.05 1uho h ASP 687 Cb 0.83 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 40.27 1uho h ASP 687 CO 0.04 0.38 0.12 -0.61 -1.72 0.00 0.00 179.24 177.46 1uho h GLN 688 N 0.81 0.79 -0.03 3.56 5.75 -1.19 -0.52 115.11 124.28 1uho h GLN 688 Ca 0.44 -0.16 -0.02 0.00 -0.15 0.00 0.00 58.65 58.76 1uho h GLN 688 Cb 0.47 -0.12 -0.00 0.00 1.07 0.00 0.00 27.48 28.90 1uho h GLN 688 CO -0.28 0.71 -0.06 0.00 -2.65 0.00 0.00 178.83 176.56 1uho h LEU 690 N -0.42 -0.17 -0.08 0.00 5.85 -0.03 -1.67 115.31 118.79 1uho h LEU 690 Ca 0.00 0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.82 1uho h LEU 690 Cb 0.62 0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.72 1uho h LEU 690 CO 0.01 -0.06 -0.23 -0.03 -0.34 0.00 0.00 178.44 177.80 1uho h MET 691 N 0.01 -0.30 0.00 1.25 4.05 -1.14 -1.46 114.93 117.34 1uho h MET 691 Ca 0.10 0.02 -0.00 0.00 -0.28 0.00 0.00 59.70 59.53 1uho h MET 691 Cb 0.14 0.07 -0.00 0.00 -0.80 0.00 0.00 31.60 31.01 1uho h MET 691 CO -0.20 -0.20 -0.02 0.82 0.23 0.00 0.00 176.91 177.54 1uho h ILE 692 N -0.31 0.81 0.00 1.77 2.04 -1.08 0.01 117.51 120.75 1uho h ILE 692 Ca 0.09 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.87 1uho h ILE 692 Cb 0.44 1.04 0.00 0.00 -0.74 0.00 0.00 36.82 37.56 1uho h ILE 692 CO -0.26 0.02 0.00 -0.07 0.00 0.00 0.00 178.15 177.84 1uho h LEU 693 N 0.00 0.00 0.00 1.44 3.38 -0.35 -3.26 115.31 116.53 1uho h LEU 693 Ca -0.00 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.74 1uho h LEU 693 Cb 0.04 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 1uho h LEU 693 CO 0.00 0.00 -1.80 0.59 0.09 0.00 0.00 178.44 177.33 1uho n ASN 694 N -3.09 0.54 -4.67 -0.43 3.02 -0.13 -3.78 115.26 106.72 1uho n ASN 694 Ca 0.03 0.25 -0.45 0.00 -0.03 0.00 0.00 54.58 54.38 1uho n ASN 694 Cb 0.48 0.53 -0.03 0.00 -0.61 0.00 0.00 39.78 40.16 1uho n ASN 694 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1uho n SER 695 N -2.82 2.80 -4.55 6.41 3.41 -0.46 -4.78 113.62 113.64 1uho n SER 695 Ca -0.17 1.14 -0.51 0.00 -0.26 0.00 0.00 58.87 59.07 1uho n SER 695 Cb 0.94 -1.43 -0.05 0.00 -0.26 0.00 0.00 64.21 63.41 1uho n SER 695 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1uho n PRO 696 N 2.19 0.84 -0.90 4.33 -0.04 -1.26 -0.93 135.00 139.23 1uho n PRO 696 Ca 0.12 0.30 0.00 0.00 -0.04 0.00 0.00 63.50 63.88 1uho n PRO 696 Cb 0.31 -1.76 0.00 0.00 -0.04 0.00 0.00 33.50 32.01 1uho n PRO 696 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1uho n GLY 697 N 1.98 0.56 0.11 0.55 0.00 -1.26 -4.76 105.19 102.37 1uho n GLY 697 Ca 0.17 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.20 1uho n GLY 697 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1uho n ASN 698 N -0.12 0.96 -4.40 1.61 3.02 -0.11 -4.54 115.26 111.69 1uho n ASN 698 Ca 0.00 -0.98 -0.36 0.00 -0.03 0.00 0.00 54.58 53.21 1uho n ASN 698 Cb 0.06 0.31 -0.04 0.00 -0.61 0.00 0.00 39.78 39.50 1uho n ASN 698 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1uho n GLN 699 N -0.18 2.23 0.17 3.52 6.02 -1.22 -4.69 117.38 123.23 1uho n GLN 699 Ca 0.02 -2.68 0.13 0.00 -0.01 0.00 0.00 57.00 54.46 1uho n GLN 699 Cb 0.08 -3.52 0.51 0.00 1.02 0.00 0.00 30.24 28.33 1uho n GLN 699 CO 0.00 0.00 0.00 -0.84 -1.01 0.00 0.00 177.06 175.21 1uho h ILE 700 N 5.59 0.00 -0.22 5.09 3.07 -1.87 -2.85 117.51 126.33 1uho h ILE 700 Ca 0.35 -0.36 0.00 0.00 1.55 0.00 0.00 64.86 66.40 1uho h ILE 700 Cb 0.86 1.20 0.00 0.00 -0.27 0.00 0.00 36.82 38.61 1uho h ILE 700 CO 1.44 0.00 0.00 0.18 -1.05 0.00 0.00 178.15 178.72 1uho n LEU 701 N -2.48 1.29 -4.73 0.16 4.77 -1.26 -4.84 117.00 109.91 1uho n LEU 701 Ca 0.02 -0.62 -0.41 0.00 -0.03 0.00 0.00 56.01 54.97 1uho n LEU 701 Cb 0.29 -0.14 -0.03 0.00 -2.33 0.00 0.00 43.42 41.20 1uho n LEU 701 CO 0.23 0.31 0.86 -0.44 -1.33 0.00 0.00 177.39 177.02 1uho s SER 702 N -1.14 7.13 0.00 -1.43 0.01 -1.08 -2.84 113.70 114.35 1uho s SER 702 Ca 0.20 2.10 0.00 0.00 1.31 0.00 0.00 55.95 59.56 1uho s SER 702 Cb 0.10 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.74 1uho s SER 702 CO 0.15 -0.37 0.00 0.61 0.41 0.00 0.00 173.24 174.03 1uho n GLY 703 N 2.59 1.59 3.82 3.44 0.00 -1.26 -4.84 105.19 110.52 1uho n GLY 703 Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 1uho n GLY 703 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1uho s LEU 704 N 0.00 4.45 1.19 0.99 1.43 -1.13 -4.95 118.68 120.66 1uho s LEU 704 Ca 0.00 0.92 -0.15 0.00 -1.03 0.00 0.00 54.13 53.87 1uho s LEU 704 Cb 0.00 -2.57 0.29 0.00 0.03 0.00 0.00 46.19 43.94 1uho s LEU 704 CO 0.00 0.29 1.03 -0.94 0.23 0.00 0.00 176.35 176.96 1uho s SER 705 N -0.88 0.87 0.22 2.29 1.04 -1.26 -4.65 113.70 111.32 1uho s SER 705 Ca 0.23 1.23 -0.09 0.00 0.48 0.00 0.00 55.95 57.79 1uho s SER 705 Cb -0.16 -1.88 0.18 0.00 0.10 0.00 0.00 66.02 64.26 1uho s SER 705 CO 0.12 -4.23 1.88 0.40 0.98 0.00 0.00 173.24 172.40 1uho h ILE 706 N -2.64 1.18 -0.28 -1.02 2.04 -1.99 -0.80 117.51 113.99 1uho h ILE 706 Ca -0.56 -0.36 -0.17 0.00 1.00 0.00 0.00 64.86 64.77 1uho h ILE 706 Cb 1.33 0.05 -0.00 0.00 -0.74 0.00 0.00 36.82 37.46 1uho h ILE 706 CO 0.47 0.19 -0.49 1.05 0.00 0.00 0.00 178.15 179.37 1uho h GLU 707 N 1.04 0.84 -0.69 2.37 -0.00 -1.99 -1.23 114.58 114.92 1uho h GLU 707 Ca 0.29 -0.52 -0.02 0.00 -0.00 0.00 0.00 59.36 59.11 1uho h GLU 707 Cb -0.09 0.06 -0.03 0.00 -0.00 0.00 0.00 28.75 28.69 1uho h GLU 707 CO -0.08 1.15 0.34 0.93 -0.00 0.00 0.00 179.01 181.36 1uho h GLU 708 N 0.61 0.98 -0.11 1.06 5.08 -1.84 0.14 114.58 120.49 1uho h GLU 708 Ca 0.02 -0.12 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 1uho h GLU 708 Cb 1.10 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 30.16 1uho h GLU 708 CO 0.11 0.74 -0.00 -0.92 -1.00 0.00 0.00 179.01 177.94 1uho h TYR 709 N 0.98 0.21 -0.62 4.33 3.20 -1.00 0.89 116.97 124.96 1uho h TYR 709 Ca 0.24 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.08 1uho h TYR 709 Cb 0.08 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.26 1uho h TYR 709 CO 0.01 0.45 0.40 -0.22 -1.64 0.00 0.00 178.16 177.15 1uho h LYS 710 N -0.08 0.83 0.51 1.82 3.64 -0.81 -1.21 116.57 121.28 1uho h LYS 710 Ca 0.03 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.33 1uho h LYS 710 Cb 0.36 -0.18 0.01 0.00 -0.41 0.00 0.00 32.23 32.00 1uho h LYS 710 CO 0.01 0.56 -0.25 1.15 -2.27 0.00 0.00 179.45 178.65 1uho h THR 711 N 0.85 0.10 -0.97 1.00 2.02 -0.51 -2.96 112.91 112.44 1uho h THR 711 Ca 0.23 -0.50 0.15 0.00 0.77 0.00 0.00 66.41 67.06 1uho h THR 711 Cb -0.07 0.15 -0.09 0.00 -1.74 0.00 0.00 68.15 66.40 1uho h THR 711 CO -0.05 0.02 0.61 0.74 0.37 0.00 0.00 175.52 177.21 1uho h THR 712 N -1.15 0.81 -0.66 3.16 2.02 -0.76 -1.36 112.91 114.98 1uho h THR 712 Ca -0.07 -0.27 -0.01 0.00 0.77 0.00 0.00 66.41 66.83 1uho h THR 712 Cb 0.56 -0.06 -0.03 0.00 -1.74 0.00 0.00 68.15 66.88 1uho h THR 712 CO 0.12 0.15 0.38 -0.07 0.37 0.00 0.00 175.52 176.46 1uho h LEU 713 N 0.80 0.81 0.20 2.58 -0.00 -1.27 -0.26 115.31 118.18 1uho h LEU 713 Ca 0.51 -0.08 -0.01 0.00 -0.00 0.00 0.00 57.88 58.30 1uho h LEU 713 Cb 0.73 -0.21 0.00 0.00 -0.00 0.00 0.00 40.66 41.19 1uho h LEU 713 CO -0.28 0.66 -0.10 0.50 -0.00 0.00 0.00 178.44 179.22 1uho h LYS 714 N 0.90 -0.26 -1.00 1.13 3.64 -1.09 -0.13 116.57 119.76 1uho h LYS 714 Ca 0.23 0.02 0.09 0.00 -1.27 0.00 0.00 60.65 59.72 1uho h LYS 714 Cb 0.02 0.06 -0.07 0.00 -0.41 0.00 0.00 32.23 31.82 1uho h LYS 714 CO -0.04 -0.17 0.63 0.82 -2.27 0.00 0.00 179.45 178.42 1uho h ILE 715 N -0.28 1.02 -0.01 2.00 2.04 -1.16 -0.65 117.51 120.46 1uho h ILE 715 Ca -0.03 -0.38 -0.00 0.00 1.00 0.00 0.00 64.86 65.46 1uho h ILE 715 Cb 0.22 -0.17 -0.00 0.00 -0.74 0.00 0.00 36.82 36.12 1uho h ILE 715 CO 0.05 0.20 0.00 0.40 0.00 0.00 0.00 178.15 178.80 1uho h ILE 716 N 1.09 1.19 -0.24 -0.67 2.04 -0.70 -0.27 117.51 119.96 1uho h ILE 716 Ca 0.45 -0.55 0.06 0.00 1.00 0.00 0.00 64.86 65.82 1uho h ILE 716 Cb 0.29 1.55 -0.06 0.00 -0.74 0.00 0.00 36.82 37.86 1uho h ILE 716 CO -0.21 0.15 -0.16 0.50 0.00 0.00 0.00 178.15 178.42 1uho h LYS 717 N -0.22 -0.15 -0.51 2.37 3.64 -0.47 -1.10 116.57 120.13 1uho h LYS 717 Ca 0.00 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1uho h LYS 717 Cb 0.24 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.06 1uho h LYS 717 CO 0.00 -0.10 0.30 1.96 -2.27 0.00 0.00 179.45 179.34 1uho h GLN 718 N -0.15 0.70 -0.38 1.90 4.20 -1.06 -1.13 115.11 119.18 1uho h GLN 718 Ca 0.13 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 1uho h GLN 718 Cb 0.35 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.97 1uho h GLN 718 CO -0.33 0.52 0.21 0.00 -0.67 0.00 0.00 178.83 178.56 1uho h ALA 719 N 1.14 0.49 0.19 3.87 0.00 -0.69 0.15 119.26 124.41 1uho h ALA 719 Ca 0.18 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1uho h ALA 719 Cb 0.01 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1uho h ALA 719 CO -0.03 0.02 -0.09 0.82 0.00 0.00 0.00 179.25 179.96 1uho h ILE 720 N 0.49 0.89 -0.34 0.00 2.04 -1.06 -2.63 117.51 116.91 1uho h ILE 720 Ca 0.14 -0.40 0.04 0.00 1.00 0.00 0.00 64.86 65.63 1uho h ILE 720 Cb 0.06 1.13 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 1uho h ILE 720 CO -0.02 0.09 0.23 -0.07 0.00 0.00 0.00 178.15 178.38 1uho h LEU 721 N -0.46 0.25 -2.09 1.44 3.38 -1.11 -0.38 115.31 116.34 1uho h LEU 721 Ca -0.03 -0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.00 1uho h LEU 721 Cb 0.35 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1uho h LEU 721 CO 0.04 0.17 0.17 0.00 0.09 0.00 0.00 178.44 178.91 1uho h ALA 722 N 1.81 2.08 0.00 1.53 0.00 -0.32 -0.65 119.26 123.71 1uho h ALA 722 Ca 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1uho h ALA 722 Cb 0.21 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1uho h ALA 722 CO -0.03 -0.27 0.00 0.25 0.00 0.00 0.00 179.25 179.20 1uho n THR 723 N -4.27 0.00 -2.73 0.00 -2.24 -0.15 -4.45 114.28 100.44 1uho n THR 723 Ca 0.02 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.37 1uho n THR 723 Cb 0.31 -0.73 -0.03 0.00 -2.10 0.00 0.00 70.33 67.78 1uho n THR 723 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1uho s ASP 724 N -1.94 6.87 0.54 3.42 2.15 -0.25 -4.92 116.67 122.54 1uho s ASP 724 Ca 0.16 0.97 0.20 0.00 0.43 0.00 0.00 52.55 54.31 1uho s ASP 724 Cb 0.07 -2.50 1.42 0.00 -0.30 0.00 0.00 42.92 41.62 1uho s ASP 724 CO 0.13 -0.78 2.16 0.25 -0.17 0.00 0.00 175.17 176.76 1uho h LEU 725 N 9.82 0.00 -0.70 -1.34 5.85 -1.87 -0.78 115.31 126.29 1uho h LEU 725 Ca -0.21 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.51 1uho h LEU 725 Cb 1.07 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.07 1uho h LEU 725 CO 0.98 0.00 0.46 0.00 -0.34 0.00 0.00 178.44 179.54 1uho h ALA 726 N 1.97 0.89 -0.34 1.25 0.00 -1.92 -0.46 119.26 120.65 1uho h ALA 726 Ca 0.02 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 1uho h ALA 726 Cb 0.10 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1uho h ALA 726 CO -0.00 0.32 -0.25 -0.07 0.00 0.00 0.00 179.25 179.25 1uho h LEU 727 N 0.95 0.70 0.33 0.00 3.38 -1.48 -2.17 115.31 117.02 1uho h LEU 727 Ca 0.26 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1uho h LEU 727 Cb -0.10 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 1uho h LEU 727 CO -0.05 0.93 -0.21 0.22 0.09 0.00 0.00 178.44 179.42 1uho h TYR 728 N 0.60 -0.55 -0.84 1.13 3.20 -0.72 -0.55 116.97 119.25 1uho h TYR 728 Ca 0.08 -0.01 0.13 0.00 3.14 0.00 0.00 58.73 62.08 1uho h TYR 728 Cb 0.74 0.20 -0.06 0.00 1.54 0.00 0.00 36.73 39.15 1uho h TYR 728 CO 0.03 -0.32 0.55 0.82 -1.64 0.00 0.00 178.16 177.60 1uho h ILE 729 N -0.52 0.85 -0.23 1.81 5.03 -0.99 -0.03 117.51 123.43 1uho h ILE 729 Ca -0.03 -0.22 -0.10 0.00 -0.12 0.00 0.00 64.86 64.39 1uho h ILE 729 Cb 0.43 0.16 -0.00 0.00 -3.03 0.00 0.00 36.82 34.38 1uho h ILE 729 CO 0.03 0.12 -0.24 0.11 -0.68 0.00 0.00 178.15 177.49 1uho h LYS 730 N 0.64 0.58 0.00 2.37 1.57 -0.83 -3.37 116.57 117.52 1uho h LYS 730 Ca 0.41 -0.31 -0.18 0.00 -1.87 0.00 0.00 60.65 58.71 1uho h LYS 730 Cb 0.68 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.97 1uho h LYS 730 CO -0.17 0.90 -1.27 0.00 -0.57 0.00 0.00 179.45 178.33 1uho h ARG 731 N 0.28 0.00 -0.68 3.15 3.08 -0.43 -3.39 114.38 116.38 1uho h ARG 731 Ca 0.04 0.00 0.08 0.00 0.07 0.00 0.00 59.98 60.16 1uho h ARG 731 Cb 0.79 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.78 1uho h ARG 731 CO 0.06 0.40 0.35 0.07 -1.07 0.00 0.00 179.97 179.78 1uho h ARG 732 N 0.00 0.61 -0.92 0.04 0.11 -1.18 -2.79 114.38 110.25 1uho h ARG 732 Ca -0.14 -0.04 0.12 0.00 0.10 0.00 0.00 59.98 60.02 1uho h ARG 732 Cb 1.62 -0.14 -0.14 0.00 1.11 0.00 0.00 29.97 32.43 1uho h ARG 732 CO 0.06 0.40 -0.45 0.78 0.10 0.00 0.00 179.97 180.86 1uho h GLY 733 N 0.62 -0.28 0.92 0.08 0.00 -1.77 0.29 103.07 102.93 1uho h GLY 733 Ca 0.32 0.61 0.02 0.00 0.00 0.00 0.00 47.33 48.27 1uho h GLY 733 CO -0.23 -0.12 0.28 -2.09 0.00 0.00 0.00 176.54 174.38 1uho h GLU 734 N -0.04 0.54 -0.02 4.80 4.81 -1.78 -1.96 114.58 120.93 1uho h GLU 734 Ca 0.26 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.48 1uho h GLU 734 Cb 0.54 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.77 1uho h GLU 734 CO -0.92 0.36 -0.09 0.35 -0.73 0.00 0.00 179.01 177.97 1uho h PHE 735 N 0.56 -0.24 -0.72 0.92 3.57 -0.72 -1.84 116.94 118.47 1uho h PHE 735 Ca 0.18 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.69 1uho h PHE 735 Cb -0.01 0.11 -0.04 0.00 2.79 0.00 0.00 35.95 38.81 1uho h PHE 735 CO -0.06 -0.15 0.45 0.74 -2.23 0.00 0.00 178.31 177.07 1uho h PHE 736 N -0.15 0.93 -0.54 0.41 0.04 -0.37 -2.25 116.94 115.01 1uho h PHE 736 Ca 0.04 0.01 -0.09 0.00 2.80 0.00 0.00 57.97 60.74 1uho h PHE 736 Cb 0.21 -0.31 -0.02 0.00 2.20 0.00 0.00 35.95 38.03 1uho h PHE 736 CO -0.17 0.61 -0.01 0.93 -0.60 0.00 0.00 178.31 179.07 1uho h GLU 737 N 0.99 0.93 -0.16 1.51 4.39 -1.01 0.17 114.58 121.40 1uho h GLU 737 Ca 0.26 -0.28 -0.09 0.00 0.34 0.00 0.00 59.36 59.60 1uho h GLU 737 Cb -0.07 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.47 1uho h GLU 737 CO -0.05 0.93 -0.28 -0.07 -1.16 0.00 0.00 179.01 178.38 1uho h LEU 738 N 0.86 0.31 -0.09 1.33 3.38 -0.86 -0.73 115.31 119.50 1uho h LEU 738 Ca 0.16 -0.10 -0.23 0.00 0.09 0.00 0.00 57.88 57.79 1uho h LEU 738 Cb 0.52 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 1uho h LEU 738 CO 0.03 0.59 -1.03 0.40 0.09 0.00 0.00 178.44 178.51 1uho h ILE 739 N 0.28 1.50 -0.09 1.22 1.08 -1.08 -1.01 117.51 119.40 1uho h ILE 739 Ca 0.04 -2.82 -0.20 0.00 -0.39 0.00 0.00 64.86 61.49 1uho h ILE 739 Cb 0.64 2.66 0.00 0.00 -3.07 0.00 0.00 36.82 37.05 1uho h ILE 739 CO 0.05 0.82 -0.77 -0.09 -0.69 0.00 0.00 178.15 177.47 1uho h ARG 740 N 0.11 0.53 -0.17 2.37 9.65 -0.73 -2.98 114.38 123.16 1uho h ARG 740 Ca -0.08 -0.44 0.00 0.00 -1.10 0.00 0.00 59.98 58.36 1uho h ARG 740 Cb 1.71 0.10 0.00 0.00 -1.39 0.00 0.00 29.97 30.39 1uho h ARG 740 CO 0.16 1.07 0.00 1.63 2.80 0.00 0.00 179.97 185.64 1uho n LYS 741 N -3.86 1.39 -4.20 0.20 5.02 -0.30 -4.90 118.16 111.51 1uho n LYS 741 Ca -0.06 -0.60 -0.35 0.00 -2.02 0.00 0.00 58.31 55.28 1uho n LYS 741 Cb 0.73 -1.13 -0.03 0.00 -0.02 0.00 0.00 35.03 34.58 1uho n LYS 741 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1uho n ASN 742 N -0.01 -3.04 -0.73 4.39 4.13 -1.13 -4.83 115.26 114.05 1uho n ASN 742 Ca 0.06 -1.01 0.05 0.00 1.68 0.00 0.00 54.58 55.36 1uho n ASN 742 Cb 0.14 -2.77 0.11 0.00 -1.54 0.00 0.00 39.78 35.72 1uho n ASN 742 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1uho n GLN 743 N -4.39 0.83 -2.44 3.52 10.64 -0.42 -5.05 117.38 120.08 1uho n GLN 743 Ca 0.04 -2.43 -0.42 0.00 -1.83 0.00 0.00 57.00 52.36 1uho n GLN 743 Cb 0.51 -0.97 -0.03 0.00 -0.86 0.00 0.00 30.24 28.89 1uho n GLN 743 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.06 175.35 1uho s PHE 744 N -1.75 3.46 -0.20 2.61 5.36 -1.00 -4.95 117.98 121.50 1uho s PHE 744 Ca 0.30 1.34 -0.03 0.00 -0.96 0.00 0.00 56.93 57.57 1uho s PHE 744 Cb 0.30 -3.40 0.07 0.00 -0.34 0.00 0.00 43.02 39.65 1uho s PHE 744 CO -0.07 -1.18 0.06 1.21 -1.46 0.00 0.00 175.22 173.79 1uho s ASN 745 N 0.98 2.87 0.54 6.13 2.47 -1.26 -4.99 114.94 121.68 1uho s ASN 745 Ca 0.58 -0.86 0.33 0.00 0.42 0.00 0.00 52.86 53.33 1uho s ASN 745 Cb -0.29 -0.49 1.42 0.00 -1.45 0.00 0.00 41.25 40.44 1uho s ASN 745 CO 0.30 -0.34 2.01 -0.07 -3.72 0.00 0.00 177.10 175.28 1uho h LEU 746 N 8.30 0.00 0.00 3.21 3.38 -1.95 -1.94 115.31 126.31 1uho h LEU 746 Ca -0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1uho h LEU 746 Cb 1.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.86 1uho h LEU 746 CO 0.34 0.05 0.00 -0.62 0.09 0.00 0.00 178.44 178.30 1uho n GLU 747 N -3.19 0.02 -3.22 1.13 4.71 -1.26 -4.46 120.64 114.37 1uho n GLU 747 Ca -0.00 0.35 -0.40 0.00 -0.01 0.00 0.00 57.16 57.10 1uho n GLU 747 Cb 0.29 -1.50 -0.07 0.00 -1.01 0.00 0.00 31.44 29.15 1uho n GLU 747 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 1uho s ASP 748 N -2.91 6.48 0.20 1.62 -1.08 -0.73 -4.99 116.67 115.26 1uho s ASP 748 Ca 0.04 0.57 -0.20 0.00 -0.52 0.00 0.00 52.55 52.45 1uho s ASP 748 Cb 0.05 -2.29 0.17 0.00 -1.46 0.00 0.00 42.92 39.38 1uho s ASP 748 CO 0.12 -0.27 1.58 -0.65 0.52 0.00 0.00 175.17 176.47 1uho h PRO 749 N 7.88 -0.10 -0.52 4.34 0.11 -1.88 0.20 132.00 142.03 1uho h PRO 749 Ca -0.30 0.01 -0.09 0.00 0.11 0.00 0.00 66.00 65.73 1uho h PRO 749 Cb 1.14 0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 1uho h PRO 749 CO 0.73 -0.07 -0.03 1.25 -0.21 0.00 0.00 178.00 179.67 1uho h HIS 750 N -0.11 1.03 0.00 0.65 -0.00 -1.94 -1.69 115.15 113.08 1uho h HIS 750 Ca 0.27 -0.19 0.00 0.00 -0.00 0.00 0.00 60.37 60.45 1uho h HIS 750 Cb 0.57 -0.26 0.00 0.00 -0.00 0.00 0.00 27.41 27.71 1uho h HIS 750 CO -0.71 0.96 0.00 1.96 -0.00 0.00 0.00 177.93 180.14 1uho h GLN 751 N 0.80 0.00 0.05 5.26 4.20 -1.54 -1.15 115.11 122.73 1uho h GLN 751 Ca 0.14 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.76 1uho h GLN 751 Cb 0.57 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.36 1uho h GLN 751 CO 0.03 0.00 -0.41 -0.22 -0.67 0.00 0.00 178.83 177.56 1uho h LYS 752 N 0.00 0.19 -0.47 1.46 1.63 -0.19 -1.82 116.57 117.38 1uho h LYS 752 Ca 0.00 -0.27 0.03 0.00 -0.85 0.00 0.00 60.65 59.55 1uho h LYS 752 Cb 0.43 0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 32.13 1uho h LYS 752 CO 0.00 1.07 0.31 0.93 -3.45 0.00 0.00 179.45 178.31 1uho h GLU 753 N -0.55 0.52 -0.19 1.90 5.08 -0.89 0.86 114.58 121.30 1uho h GLU 753 Ca -0.07 -0.03 -0.21 0.00 -1.00 0.00 0.00 59.36 58.06 1uho h GLU 753 Cb 1.25 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 30.39 1uho h GLU 753 CO 0.08 0.35 -0.69 1.25 -1.00 0.00 0.00 179.01 178.99 1uho h LEU 754 N 0.54 0.94 0.05 1.33 5.85 -1.26 -2.57 115.31 120.19 1uho h LEU 754 Ca 0.18 -0.60 -0.00 0.00 0.84 0.00 0.00 57.88 58.30 1uho h LEU 754 Cb 0.07 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 40.83 1uho h LEU 754 CO -0.05 1.38 -0.02 0.15 -0.34 0.00 0.00 178.44 179.56 1uho h PHE 755 N 0.56 -0.06 -0.63 1.25 3.57 -0.38 -1.15 116.94 120.10 1uho h PHE 755 Ca -0.03 -0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.57 1uho h PHE 755 Cb 1.32 0.02 -0.04 0.00 2.79 0.00 0.00 35.95 40.04 1uho h PHE 755 CO 0.09 0.19 0.42 -0.07 -2.23 0.00 0.00 178.31 176.70 1uho h LEU 756 N -0.30 0.37 0.14 0.59 3.38 -0.92 0.22 115.31 118.78 1uho h LEU 756 Ca -0.01 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1uho h LEU 756 Cb 0.27 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1uho h LEU 756 CO 0.01 0.22 -0.07 0.00 0.09 0.00 0.00 178.44 178.69 1uho h ALA 757 N 1.69 -0.19 -0.93 1.53 0.00 -1.16 -1.86 119.26 118.34 1uho h ALA 757 Ca 0.29 -0.21 0.07 0.00 0.00 0.00 0.00 54.91 55.06 1uho h ALA 757 Cb 0.60 0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.40 1uho h ALA 757 CO -0.08 -0.38 0.59 1.98 0.00 0.00 0.00 179.25 181.35 1uho h MET 758 N -0.64 1.03 -0.58 0.00 4.05 -0.43 -1.61 114.93 116.76 1uho h MET 758 Ca -0.02 -0.06 -0.08 0.00 -0.28 0.00 0.00 59.70 59.26 1uho h MET 758 Cb 0.48 -0.23 -0.02 0.00 -0.80 0.00 0.00 31.60 31.02 1uho h MET 758 CO 0.03 0.68 0.05 1.25 0.23 0.00 0.00 176.91 179.15 1uho h LEU 759 N 1.06 0.93 -0.49 3.39 5.85 -0.58 -1.66 115.31 123.79 1uho h LEU 759 Ca 0.41 -0.23 -0.00 0.00 0.84 0.00 0.00 57.88 58.90 1uho h LEU 759 Cb 0.19 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 1uho h LEU 759 CO -0.18 0.96 0.30 -0.03 -0.34 0.00 0.00 178.44 179.15 1uho h MET 760 N 0.90 0.67 -0.56 1.25 4.05 -0.44 -2.36 114.93 118.43 1uho h MET 760 Ca 0.17 -0.06 -0.10 0.00 -0.28 0.00 0.00 59.70 59.44 1uho h MET 760 Cb 0.46 -0.14 -0.02 0.00 -0.80 0.00 0.00 31.60 31.10 1uho h MET 760 CO 0.02 0.48 -0.04 1.15 0.23 0.00 0.00 176.91 178.75 1uho h THR 761 N 0.66 1.26 -0.90 -0.77 2.02 -1.10 -1.38 112.91 112.71 1uho h THR 761 Ca 0.18 -1.17 -0.01 0.00 0.77 0.00 0.00 66.41 66.18 1uho h THR 761 Cb -0.02 0.87 -0.04 0.00 -1.74 0.00 0.00 68.15 67.21 1uho h THR 761 CO -0.03 0.42 0.53 0.00 0.37 0.00 0.00 175.52 176.80 1uho h ALA 762 N 1.04 1.15 -0.20 6.16 0.00 -1.02 -1.72 119.26 124.67 1uho h ALA 762 Ca 0.16 -0.11 -0.21 0.00 0.00 0.00 0.00 54.91 54.75 1uho h ALA 762 Cb 0.58 -0.36 0.01 0.00 0.00 0.00 0.00 17.79 18.01 1uho h ALA 762 CO 0.03 0.62 -0.71 0.00 0.00 0.00 0.00 179.25 179.20 1uho h ASP 764 N 0.58 0.78 -0.69 0.00 -0.00 -0.74 -1.30 116.42 115.06 1uho h ASP 764 Ca -0.03 0.06 0.00 0.00 -0.00 0.00 0.00 57.03 57.06 1uho h ASP 764 Cb 1.33 -0.09 0.00 0.00 -0.00 0.00 0.00 39.33 40.57 1uho h ASP 764 CO 0.15 0.36 0.00 0.18 -0.00 0.00 0.00 179.24 179.93 1uho n LEU 765 N -4.63 3.86 -0.48 2.28 4.32 -0.69 -4.68 117.00 116.97 1uho n LEU 765 Ca 0.20 -2.01 0.43 0.00 -0.02 0.00 0.00 56.01 54.60 1uho n LEU 765 Cb 0.47 -0.46 0.72 0.00 -1.62 0.00 0.00 43.42 42.53 1uho n LEU 765 CO 0.26 0.96 1.39 0.77 -1.22 0.00 0.00 177.39 179.55 1uho h SER 766 N 4.02 0.00 0.04 -1.43 4.64 -0.68 0.76 113.55 120.90 1uho h SER 766 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1uho h SER 766 Cb 0.97 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.06 1uho h SER 766 CO 0.01 0.00 -0.04 0.00 -0.87 0.00 0.00 176.83 175.93 1uho h ALA 767 N 1.00 1.87 0.00 5.18 0.00 -1.83 -1.28 119.26 124.19 1uho h ALA 767 Ca 0.73 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.60 1uho h ALA 767 Cb 3.17 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 20.95 1uho h ALA 767 CO -0.01 0.05 0.00 1.51 0.00 0.00 0.00 179.25 180.80 1uho n ILE 768 N -4.39 0.85 0.61 0.00 0.13 0.26 -2.63 119.36 114.19 1uho n ILE 768 Ca -0.03 0.20 0.07 0.00 -1.10 0.00 0.00 62.75 61.89 1uho n ILE 768 Cb 0.12 -1.00 -0.02 0.00 -0.84 0.00 0.00 39.64 37.90 1uho n ILE 768 CO 0.00 0.00 0.00 0.35 2.80 0.00 0.00 176.55 179.70 1uho n THR 769 N -1.78 0.00 -1.30 9.51 -2.24 -0.49 -4.26 114.28 113.72 1uho n THR 769 Ca 0.03 -0.30 -0.29 0.00 -2.27 0.00 0.00 64.05 61.22 1uho n THR 769 Cb 0.21 1.11 0.14 0.00 -2.10 0.00 0.00 70.33 69.69 1uho n THR 769 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1uho s LYS 770 N -1.87 1.22 0.37 -0.78 3.01 -1.08 -4.14 119.74 116.48 1uho s LYS 770 Ca 0.09 0.66 -0.28 0.00 -1.01 0.00 0.00 55.97 55.43 1uho s LYS 770 Cb 0.11 -1.82 -0.11 0.00 -1.01 0.00 0.00 37.83 35.00 1uho s LYS 770 CO 0.41 -2.22 1.51 -2.30 0.51 0.00 0.00 175.35 173.25 1uho n PRO 771 N -3.85 2.70 -0.24 -1.68 -0.02 -1.26 -4.47 135.00 126.19 1uho n PRO 771 Ca 0.07 0.95 -0.04 0.00 -2.02 0.00 0.00 63.50 62.45 1uho n PRO 771 Cb 0.56 -2.69 -0.03 0.00 -0.02 0.00 0.00 33.50 31.32 1uho n PRO 771 CO 0.00 0.00 0.00 1.87 1.98 0.00 0.00 175.50 179.35 1uho n TRP 772 N 0.65 -0.15 -0.15 6.00 -0.00 -1.26 -0.43 117.44 122.10 1uho n TRP 772 Ca 0.02 0.75 -0.07 0.00 -0.00 0.00 0.00 57.50 58.20 1uho n TRP 772 Cb 0.39 -0.62 -0.01 0.00 -0.00 0.00 0.00 31.31 31.07 1uho n TRP 772 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 177.69 176.34 1uho h PRO 773 N 0.00 -0.21 0.01 5.87 0.11 -2.00 0.96 132.00 136.74 1uho h PRO 773 Ca 0.14 0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.26 1uho h PRO 773 Cb 0.29 0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.45 1uho h PRO 773 CO -0.58 -0.14 -0.00 0.82 -0.21 0.00 0.00 178.00 177.89 1uho h ILE 774 N -0.22 1.04 -0.07 4.15 2.04 -1.10 -1.82 117.51 121.54 1uho h ILE 774 Ca 0.20 -0.14 0.03 0.00 1.00 0.00 0.00 64.86 65.95 1uho h ILE 774 Cb 0.54 1.13 -0.03 0.00 -0.74 0.00 0.00 36.82 37.72 1uho h ILE 774 CO -0.60 0.04 -0.13 -0.61 0.00 0.00 0.00 178.15 176.85 1uho h GLN 775 N -0.07 -0.17 -0.82 2.37 5.75 -0.53 -0.16 115.11 121.48 1uho h GLN 775 Ca -0.00 0.01 0.06 0.00 -0.15 0.00 0.00 58.65 58.57 1uho h GLN 775 Cb 0.06 0.04 -0.06 0.00 1.07 0.00 0.00 27.48 28.59 1uho h GLN 775 CO 0.00 -0.12 0.50 1.96 -2.65 0.00 0.00 178.83 178.53 1uho h GLN 776 N -0.18 0.89 -0.79 1.69 4.20 -0.78 0.18 115.11 120.32 1uho h GLN 776 Ca 0.07 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.69 1uho h GLN 776 Cb 0.27 -0.20 -0.04 0.00 0.30 0.00 0.00 27.48 27.82 1uho h GLN 776 CO -0.17 0.59 0.36 -0.09 -0.67 0.00 0.00 178.83 178.85 1uho h ARG 777 N 0.92 1.15 0.00 1.46 1.12 -0.64 -2.89 114.38 115.50 1uho h ARG 777 Ca 0.36 -0.18 -0.22 0.00 -1.11 0.00 0.00 59.98 58.83 1uho h ARG 777 Cb 0.16 -0.20 -0.03 0.00 -0.01 0.00 0.00 29.97 29.88 1uho h ARG 777 CO -0.17 0.90 -1.10 0.82 -3.11 0.00 0.00 179.97 177.31 1uho h ILE 778 N 1.13 1.50 0.00 1.20 2.04 -0.20 -3.18 117.51 120.00 1uho h ILE 778 Ca 0.27 -3.21 -0.03 0.00 1.00 0.00 0.00 64.86 62.89 1uho h ILE 778 Cb 0.14 2.74 -0.00 0.00 -0.74 0.00 0.00 36.82 38.96 1uho h ILE 778 CO -0.03 0.86 -0.12 0.00 0.00 0.00 0.00 178.15 178.85 1uho h ALA 779 N 1.04 1.59 0.00 1.87 0.00 -0.50 -1.12 119.26 122.14 1uho h ALA 779 Ca -0.06 -0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.60 1uho h ALA 779 Cb 1.79 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.54 1uho h ALA 779 CO 0.12 0.15 -0.68 0.93 0.00 0.00 0.00 179.25 179.77 1uho h GLU 780 N 0.00 0.00 -0.18 0.00 5.08 -1.49 0.20 114.58 118.19 1uho h GLU 780 Ca -0.00 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 1uho h GLU 780 Cb 0.25 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.50 1uho h GLU 780 CO 0.02 0.68 -0.12 -0.07 -1.00 0.00 0.00 179.01 178.51 1uho h LEU 781 N 0.00 0.42 0.18 1.33 3.38 -1.33 -0.07 115.31 119.23 1uho h LEU 781 Ca -0.01 -0.44 -0.01 0.00 0.09 0.00 0.00 57.88 57.51 1uho h LEU 781 Cb 1.23 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1uho h LEU 781 CO 0.09 0.77 -0.08 0.58 0.09 0.00 0.00 178.44 179.89 1uho h VAL 782 N 0.07 0.84 -0.65 1.22 2.07 -1.08 -1.02 116.25 117.69 1uho h VAL 782 Ca 0.04 -0.05 0.05 0.00 0.82 0.00 0.00 66.70 67.56 1uho h VAL 782 Cb 0.63 0.87 -0.05 0.00 -1.52 0.00 0.00 31.29 31.22 1uho h VAL 782 CO 0.03 0.01 0.36 0.00 0.02 0.00 0.00 177.57 178.00 1uho h ALA 783 N 0.56 0.86 -0.56 1.67 0.00 -0.59 -1.63 119.26 119.57 1uho h ALA 783 Ca -0.02 0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.93 1uho h ALA 783 Cb 0.20 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 1uho h ALA 783 CO 0.04 0.05 0.33 1.15 0.00 0.00 0.00 179.25 180.82 1uho h THR 784 N 0.68 1.04 -0.08 0.00 2.02 -0.71 -1.15 112.91 114.71 1uho h THR 784 Ca 0.28 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 67.24 1uho h THR 784 Cb 0.15 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 66.89 1uho h THR 784 CO -0.17 0.12 0.04 -0.08 0.37 0.00 0.00 175.52 175.81 1uho h GLU 785 N 0.65 0.09 0.04 6.66 4.81 -0.33 -0.28 114.58 126.22 1uho h GLU 785 Ca 0.23 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.47 1uho h GLU 785 Cb 0.05 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 1uho h GLU 785 CO -0.11 0.06 -0.12 0.74 -0.73 0.00 0.00 179.01 178.85 1uho h PHE 786 N 0.10 -0.30 -0.80 0.92 0.04 -1.03 -0.52 116.94 115.35 1uho h PHE 786 Ca 0.03 0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.80 1uho h PHE 786 Cb -0.00 0.13 -0.04 0.00 2.20 0.00 0.00 35.95 38.24 1uho h PHE 786 CO -0.08 -0.18 0.46 0.74 -0.60 0.00 0.00 178.31 178.66 1uho h PHE 787 N -0.22 1.06 -0.72 -0.55 0.04 -1.13 -0.48 116.94 114.94 1uho h PHE 787 Ca 0.03 -0.01 -0.04 0.00 2.80 0.00 0.00 57.97 60.75 1uho h PHE 787 Cb 0.25 -0.35 -0.03 0.00 2.20 0.00 0.00 35.95 38.02 1uho h PHE 787 CO -0.16 0.72 0.29 -0.44 -0.60 0.00 0.00 178.31 178.12 1uho h ASP 788 N 1.10 0.98 -0.55 2.17 5.19 -0.72 -1.94 116.42 122.64 1uho h ASP 788 Ca 0.28 -0.14 -0.11 0.00 -0.62 0.00 0.00 57.03 56.44 1uho h ASP 788 Cb -0.02 -0.25 -0.02 0.00 0.18 0.00 0.00 39.33 39.22 1uho h ASP 788 CO -0.05 0.86 -0.09 -0.61 -3.12 0.00 0.00 179.24 176.23 1uho h GLN 789 N 1.04 1.03 -0.63 3.56 4.15 0.03 -1.60 115.11 122.69 1uho h GLN 789 Ca 0.24 -0.37 -0.04 0.00 0.77 0.00 0.00 58.65 59.25 1uho h GLN 789 Cb 0.19 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 27.78 1uho h GLN 789 CO -0.02 1.06 0.24 0.78 -1.93 0.00 0.00 178.83 178.96 1uho h GLY 790 N 0.91 0.99 0.55 2.39 0.00 -0.69 0.15 103.07 107.35 1uho h GLY 790 Ca 0.14 -0.52 -0.00 0.00 0.00 0.00 0.00 47.33 46.95 1uho h GLY 790 CO 0.05 0.49 -0.04 -0.55 0.00 0.00 0.00 176.54 176.49 1uho h ASP 791 N 0.91 -0.09 -0.92 0.19 3.32 -1.21 -1.63 116.42 116.99 1uho h ASP 791 Ca 0.21 -0.39 0.03 0.00 0.02 0.00 0.00 57.03 56.90 1uho h ASP 791 Cb 0.19 0.02 -0.05 0.00 0.22 0.00 0.00 39.33 39.71 1uho h ASP 791 CO -0.02 0.36 0.60 -0.09 -1.72 0.00 0.00 179.24 178.38 1uho h ARG 792 N -0.56 1.13 -0.17 3.56 2.43 -1.12 -1.36 114.38 118.31 1uho h ARG 792 Ca -0.01 -0.07 -0.12 0.00 -0.81 0.00 0.00 59.98 58.97 1uho h ARG 792 Cb 0.47 -0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 1uho h ARG 792 CO 0.02 0.75 -0.41 0.93 -1.51 0.00 0.00 179.97 179.75 1uho h GLU 793 N 1.17 0.38 0.00 0.20 5.08 -0.67 0.37 114.58 121.11 1uho h GLU 793 Ca 0.36 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1uho h GLU 793 Cb -0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1uho h GLU 793 CO -0.10 0.73 0.00 -0.09 -1.00 0.00 0.00 179.01 178.55 1uho h ARG 794 N 0.32 0.00 0.00 2.33 2.43 -0.71 -1.59 114.38 117.17 1uho h ARG 794 Ca 0.03 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1uho h ARG 794 Cb 0.86 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.41 1uho h ARG 794 CO 0.07 0.00 -0.01 -0.22 -1.51 0.00 0.00 179.97 178.30 1uho h LYS 795 N 0.00 0.00 -0.80 0.20 1.63 -0.70 -3.39 116.57 113.51 1uho h LYS 795 Ca 0.00 0.00 0.07 0.00 -0.85 0.00 0.00 60.65 59.87 1uho h LYS 795 Cb 0.74 0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 32.31 1uho h LYS 795 CO 0.00 0.00 0.47 0.93 -3.45 0.00 0.00 179.45 177.40 1uho h GLU 796 N -0.09 0.82 -5.82 1.90 5.08 -1.06 -3.43 114.58 111.98 1uho h GLU 796 Ca 0.00 -0.05 -0.58 0.00 -1.00 0.00 0.00 59.36 57.73 1uho h GLU 796 Cb 0.01 -0.19 -0.08 0.00 0.50 0.00 0.00 28.75 29.00 1uho h GLU 796 CO 0.00 0.54 -0.46 -0.51 -1.00 0.00 0.00 179.01 177.59 1uho s LEU 797 N -10.24 2.94 -0.76 1.33 1.02 -0.60 -5.05 118.68 107.33 1uho s LEU 797 Ca -0.13 -1.18 0.02 0.00 0.02 0.00 0.00 54.13 52.87 1uho s LEU 797 Cb 0.18 -1.31 0.34 0.00 0.02 0.00 0.00 46.19 45.41 1uho s LEU 797 CO 0.78 -0.70 1.37 0.59 0.02 0.00 0.00 176.35 178.42 1uho n ASN 798 N -1.35 5.82 -4.20 2.29 5.03 -1.26 -4.04 115.26 117.56 1uho n ASN 798 Ca -0.03 -3.70 -0.32 0.00 0.87 0.00 0.00 54.58 51.39 1uho n ASN 798 Cb 0.65 -0.82 -0.17 0.00 -1.02 0.00 0.00 39.78 38.42 1uho n ASN 798 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1uho s ILE 799 N -4.55 2.11 0.18 2.41 1.09 -1.26 -5.05 121.20 116.13 1uho s ILE 799 Ca 0.45 -0.98 -0.30 0.00 -1.10 0.00 0.00 60.65 58.73 1uho s ILE 799 Cb 0.27 -1.83 -0.08 0.00 -1.06 0.00 0.00 42.46 39.75 1uho s ILE 799 CO -0.16 0.55 1.20 -1.61 -0.10 0.00 0.00 174.94 174.83 1uho s GLU 800 N 0.65 4.48 0.62 2.79 0.41 -1.26 -3.68 118.70 122.71 1uho s GLU 800 Ca -0.11 1.88 -0.19 0.00 -0.41 0.00 0.00 54.97 56.14 1uho s GLU 800 Cb -0.16 -3.25 -0.02 0.00 -1.78 0.00 0.00 34.13 28.92 1uho s GLU 800 CO 0.02 -0.11 1.26 -2.14 -0.49 0.00 0.00 175.26 173.80 1uho s PRO 801 N -0.13 2.76 0.44 0.39 0.02 -1.26 -5.00 135.00 132.22 1uho s PRO 801 Ca 0.54 1.98 -0.21 0.00 0.02 0.00 0.00 61.00 63.33 1uho s PRO 801 Cb -0.33 -1.91 -0.10 0.00 0.02 0.00 0.00 34.50 32.19 1uho s PRO 801 CO 0.36 -1.42 0.98 0.95 -0.33 0.00 0.00 177.00 177.55 1uho s THR 802 N -1.46 4.16 0.42 0.99 -4.23 -1.26 -4.69 115.64 109.57 1uho s THR 802 Ca 0.80 1.38 0.27 0.00 -1.18 0.00 0.00 61.69 62.96 1uho s THR 802 Cb -0.35 -3.58 0.45 0.00 1.34 0.00 0.00 72.50 70.36 1uho s THR 802 CO 0.38 -0.25 1.61 0.44 -0.54 0.00 0.00 174.62 176.26 1uho h ASP 803 N 1.90 0.28 -0.05 3.99 3.45 -1.94 1.48 116.42 125.52 1uho h ASP 803 Ca -0.49 0.17 -0.01 0.00 0.43 0.00 0.00 57.03 57.13 1uho h ASP 803 Cb 1.19 0.16 -0.00 0.00 -0.56 0.00 0.00 39.33 40.12 1uho h ASP 803 CO 0.61 -0.23 0.02 0.25 -1.57 0.00 0.00 179.24 178.31 1uho h LEU 804 N 0.09 0.09 -0.90 1.55 5.85 -1.90 -3.19 115.31 116.89 1uho h LEU 804 Ca 0.82 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.54 1uho h LEU 804 Cb 2.46 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 43.47 1uho h LEU 804 CO -0.50 0.10 -0.15 0.23 -0.34 0.00 0.00 178.44 177.78 1uho n MET 805 N -4.49 1.68 -3.75 1.25 2.81 0.50 -4.62 117.12 110.50 1uho n MET 805 Ca -0.02 -0.71 -0.36 0.00 -1.81 0.00 0.00 57.70 54.80 1uho n MET 805 Cb 0.11 -1.10 -0.07 0.00 -0.71 0.00 0.00 33.22 31.46 1uho n MET 805 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1uho s ASN 806 N -1.18 6.39 0.22 7.83 4.22 -0.66 -3.25 114.94 128.51 1uho s ASN 806 Ca 0.09 0.46 -0.11 0.00 -2.14 0.00 0.00 52.86 51.15 1uho s ASN 806 Cb 0.08 -2.11 0.30 0.00 1.28 0.00 0.00 41.25 40.79 1uho s ASN 806 CO 0.21 0.29 1.63 -0.09 -2.04 0.00 0.00 177.10 177.10 1uho h ARG 807 N 5.67 0.04 -6.99 3.55 2.43 -1.89 -3.40 114.38 113.79 1uho h ARG 807 Ca -0.49 -0.00 -0.39 0.00 -0.81 0.00 0.00 59.98 58.29 1uho h ARG 807 Cb 1.20 -0.01 0.22 0.00 -0.42 0.00 0.00 29.97 30.96 1uho h ARG 807 CO 0.66 0.03 -0.14 0.39 -1.51 0.00 0.00 179.97 179.40 1uho n GLU 808 N -5.39 -4.16 -2.74 0.20 1.02 -1.26 -2.75 120.64 105.55 1uho n GLU 808 Ca 0.09 -1.22 -0.19 0.00 -0.02 0.00 0.00 57.16 55.82 1uho n GLU 808 Cb 0.37 -2.00 0.00 0.00 -0.02 0.00 0.00 31.44 29.80 1uho n GLU 808 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1uho n LYS 809 N -5.55 -3.00 0.13 3.49 5.02 -1.26 -4.80 118.16 112.19 1uho n LYS 809 Ca 0.10 0.77 0.12 0.00 -2.02 0.00 0.00 58.31 57.28 1uho n LYS 809 Cb 0.58 -5.48 0.15 0.00 -0.02 0.00 0.00 35.03 30.27 1uho n LYS 809 CO 0.00 0.00 0.00 1.57 -0.52 0.00 0.00 177.40 178.45 1uho h LYS 810 N -0.54 0.00 0.00 1.97 2.10 -1.75 -3.23 116.57 115.13 1uho h LYS 810 Ca -0.43 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.22 1uho h LYS 810 Cb 1.31 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.64 1uho h LYS 810 CO 0.50 0.00 0.00 0.27 -2.00 0.00 0.00 179.45 178.22 1uho n ASN 811 N -2.62 0.00 -0.59 7.07 6.94 -1.26 -1.86 115.26 122.94 1uho n ASN 811 Ca 0.03 -0.02 0.11 0.00 -0.02 0.00 0.00 54.58 54.68 1uho n ASN 811 Cb 0.50 -0.18 0.06 0.00 -2.36 0.00 0.00 39.78 37.80 1uho n ASN 811 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1uho n LYS 812 N -1.18 1.46 -0.16 -3.83 4.01 -1.22 -4.46 118.16 112.79 1uho n LYS 812 Ca 0.06 -1.19 0.11 0.00 -0.51 0.00 0.00 58.31 56.78 1uho n LYS 812 Cb 0.06 -1.48 0.44 0.00 -0.51 0.00 0.00 35.03 33.54 1uho n LYS 812 CO 0.00 0.00 0.00 -0.84 -1.11 0.00 0.00 177.40 175.45 1uho h ILE 813 N 2.89 0.90 -0.02 -0.18 3.07 -1.61 0.45 117.51 123.01 1uho h ILE 813 Ca 0.00 -0.19 -0.00 0.00 1.55 0.00 0.00 64.86 66.22 1uho h ILE 813 Cb 0.79 0.30 -0.00 0.00 -0.27 0.00 0.00 36.82 37.64 1uho h ILE 813 CO 0.00 0.10 0.01 -0.65 -1.05 0.00 0.00 178.15 176.56 1uho h PRO 814 N 0.55 0.03 -0.63 0.16 0.11 -1.84 0.31 132.00 130.70 1uho h PRO 814 Ca 0.33 -0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.46 1uho h PRO 814 Cb 0.55 -0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.62 1uho h PRO 814 CO -0.11 0.13 0.39 1.03 -0.21 0.00 0.00 178.00 179.23 1uho h SER 815 N -0.09 0.65 -0.23 -2.05 0.87 -1.62 -2.40 113.55 108.68 1uho h SER 815 Ca 0.01 -0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1uho h SER 815 Cb 0.12 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 61.92 1uho h SER 815 CO -0.00 0.46 0.12 0.24 -0.53 0.00 0.00 176.83 177.12 1uho h MET 816 N 0.78 0.32 -0.72 2.24 2.86 -0.68 -2.72 114.93 117.00 1uho h MET 816 Ca 0.25 -0.04 0.09 0.00 -2.06 0.00 0.00 59.70 57.94 1uho h MET 816 Cb -0.00 -0.06 -0.05 0.00 0.06 0.00 0.00 31.60 31.55 1uho h MET 816 CO -0.09 0.29 0.47 1.96 1.06 0.00 0.00 176.91 180.60 1uho h GLN 817 N 0.26 0.64 -0.04 1.72 1.08 -0.03 -0.87 115.11 117.86 1uho h GLN 817 Ca 0.08 -0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 57.23 1uho h GLN 817 Cb 0.07 -0.14 -0.00 0.00 -0.05 0.00 0.00 27.48 27.35 1uho h GLN 817 CO -0.01 0.42 -0.03 0.28 -0.95 0.00 0.00 178.83 178.54 1uho h VAL 818 N 0.66 1.34 -0.88 -0.54 2.07 -1.24 -2.55 116.25 115.11 1uho h VAL 818 Ca 0.32 -1.07 0.05 0.00 0.82 0.00 0.00 66.70 66.82 1uho h VAL 818 Cb 0.40 1.97 -0.06 0.00 -1.52 0.00 0.00 31.29 32.08 1uho h VAL 818 CO -0.11 0.29 0.56 1.23 0.02 0.00 0.00 177.57 179.55 1uho h GLY 819 N -0.31 1.30 0.86 2.17 0.00 -1.10 0.05 103.07 106.03 1uho h GLY 819 Ca 0.01 -0.41 0.01 0.00 0.00 0.00 0.00 47.33 46.94 1uho h GLY 819 CO 0.01 0.32 -0.02 -2.75 0.00 0.00 0.00 176.54 174.10 1uho h PHE 820 N 1.05 -0.05 -0.30 5.60 3.57 -1.17 0.19 116.94 125.83 1uho h PHE 820 Ca 0.36 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.86 1uho h PHE 820 Cb 0.08 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 1uho h PHE 820 CO -0.02 -0.04 0.14 0.82 -2.23 0.00 0.00 178.31 176.98 1uho h ILE 821 N -0.01 1.16 0.14 1.41 2.04 -1.02 0.22 117.51 121.45 1uho h ILE 821 Ca 0.03 -0.48 -0.01 0.00 1.00 0.00 0.00 64.86 65.41 1uho h ILE 821 Cb 0.06 0.92 0.00 0.00 -0.74 0.00 0.00 36.82 37.06 1uho h ILE 821 CO -0.07 0.17 -0.07 0.44 0.00 0.00 0.00 178.15 178.62 1uho h ASP 822 N 0.35 -0.16 1.29 1.72 3.32 -0.81 0.11 116.42 122.25 1uho h ASP 822 Ca 0.10 -0.12 -0.10 0.00 0.02 0.00 0.00 57.03 56.92 1uho h ASP 822 Cb 0.14 0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 1uho h ASP 822 CO -0.01 0.03 -0.50 0.00 -1.72 0.00 0.00 179.24 177.04 1uho h ALA 823 N 0.50 0.74 0.00 3.45 0.00 -0.95 -3.42 119.26 119.58 1uho h ALA 823 Ca -0.02 -0.45 -0.03 0.00 0.00 0.00 0.00 54.91 54.41 1uho h ALA 823 Cb 0.27 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1uho h ALA 823 CO 0.03 0.62 -0.86 -0.89 0.00 0.00 0.00 179.25 178.16 1uho n ILE 824 N -3.31 0.47 0.07 0.00 5.41 0.75 -4.94 119.36 117.82 1uho n ILE 824 Ca 0.01 0.08 -0.04 0.00 1.00 0.00 0.00 62.75 63.81 1uho n ILE 824 Cb 0.69 -1.58 -0.02 0.00 -0.71 0.00 0.00 39.64 38.02 1uho n ILE 824 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1uho n LEU 826 N -4.08 -0.57 -0.27 0.00 7.94 0.00 -0.59 117.00 119.43 1uho n LEU 826 Ca -0.03 1.67 0.00 0.00 -1.11 0.00 0.00 56.01 56.54 1uho n LEU 826 Cb 0.10 -0.41 0.13 0.00 0.53 0.00 0.00 43.42 43.77 1uho n LEU 826 CO 0.07 -1.52 1.13 1.56 -1.11 0.00 0.00 177.39 177.53 1uho h GLN 827 N 0.00 0.78 0.01 1.96 7.50 -1.80 0.64 115.11 124.21 1uho h GLN 827 Ca 0.36 -0.05 -0.00 0.00 0.50 0.00 0.00 58.65 59.46 1uho h GLN 827 Cb 0.60 -0.18 0.00 0.00 0.05 0.00 0.00 27.48 27.95 1uho h GLN 827 CO -0.96 0.52 -0.01 1.25 -1.50 0.00 0.00 178.83 178.13 1uho h LEU 828 N 0.80 -0.02 -0.84 1.46 6.46 -0.99 -0.37 115.31 121.82 1uho h LEU 828 Ca 0.35 -0.05 -0.12 0.00 -0.12 0.00 0.00 57.88 57.93 1uho h LEU 828 Cb 0.22 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.14 1uho h LEU 828 CO -0.19 0.04 -0.57 1.88 -0.62 0.00 0.00 178.44 178.97 1uho h TYR 829 N -0.07 0.05 -0.20 1.25 0.05 -1.03 0.36 116.97 117.38 1uho h TYR 829 Ca -0.00 -0.02 -0.15 0.00 0.05 0.00 0.00 58.73 58.61 1uho h TYR 829 Cb 0.06 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 37.79 1uho h TYR 829 CO -0.06 0.60 -0.50 1.05 -1.05 0.00 0.00 178.16 178.20 1uho h GLU 830 N 0.03 0.55 -0.22 4.88 -0.00 -0.73 -1.92 114.58 117.17 1uho h GLU 830 Ca -0.00 -0.32 -0.17 0.00 -0.00 0.00 0.00 59.36 58.86 1uho h GLU 830 Cb 1.01 0.03 -0.00 0.00 -0.00 0.00 0.00 28.75 29.79 1uho h GLU 830 CO 0.08 0.92 -0.56 0.00 -0.00 0.00 0.00 179.01 179.45 1uho h ALA 831 N 1.02 0.60 -0.44 1.06 0.00 -0.74 -2.76 119.26 118.00 1uho h ALA 831 Ca 0.02 -0.52 -0.08 0.00 0.00 0.00 0.00 54.91 54.33 1uho h ALA 831 Cb 1.02 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 1uho h ALA 831 CO 0.09 0.69 -0.06 1.25 0.00 0.00 0.00 179.25 181.22 1uho h LEU 832 N 0.51 0.74 -1.87 0.00 5.85 -0.80 -1.68 115.31 118.05 1uho h LEU 832 Ca 0.01 -0.20 -0.03 0.00 0.84 0.00 0.00 57.88 58.50 1uho h LEU 832 Cb 1.13 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.96 1uho h LEU 832 CO 0.11 0.85 -0.13 0.74 -0.34 0.00 0.00 178.44 179.67 1uho h THR 833 N 0.70 0.67 0.00 1.05 2.02 -1.17 -1.02 112.91 115.15 1uho h THR 833 Ca 0.13 -0.55 -0.15 0.00 0.77 0.00 0.00 66.41 66.61 1uho h THR 833 Cb 0.52 1.34 -0.02 0.00 -1.74 0.00 0.00 68.15 68.25 1uho h THR 833 CO 0.03 0.13 -0.71 0.45 0.37 0.00 0.00 175.52 175.79 1uho h HIS 834 N 0.00 0.00 0.04 3.16 3.86 -1.03 -2.66 115.15 118.52 1uho h HIS 834 Ca -0.00 0.00 -0.23 0.00 -1.16 0.00 0.00 60.37 58.98 1uho h HIS 834 Cb 0.33 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.80 1uho h HIS 834 CO 0.00 0.71 -1.00 0.28 0.86 0.00 0.00 177.93 178.78 1uho h VAL 835 N 0.00 1.48 -1.59 2.45 2.07 -0.96 -3.44 116.25 116.26 1uho h VAL 835 Ca -0.01 -2.73 -0.03 0.00 0.82 0.00 0.00 66.70 64.75 1uho h VAL 835 Cb 1.26 2.60 -0.25 0.00 -1.52 0.00 0.00 31.29 33.38 1uho h VAL 835 CO 0.09 0.80 -0.35 -0.55 0.02 0.00 0.00 177.57 177.58 1uho s SER 836 N -7.02 -0.59 0.45 0.57 0.15 -0.53 -5.02 113.70 101.70 1uho s SER 836 Ca -0.04 0.68 0.30 0.00 0.70 0.00 0.00 55.95 57.59 1uho s SER 836 Cb 0.09 1.67 1.60 0.00 -1.71 0.00 0.00 66.02 67.67 1uho s SER 836 CO 0.85 -0.27 1.92 -0.08 1.20 0.00 0.00 173.24 176.87 1uho h GLU 837 N 8.09 0.00 0.00 5.44 4.57 -1.75 -1.12 114.58 129.81 1uho h GLU 837 Ca -0.20 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.98 1uho h GLU 837 Cb 1.15 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.74 1uho h GLU 837 CO 0.24 0.00 0.00 -0.25 -1.18 0.00 0.00 179.01 177.82 1uho n ASP 838 N -2.57 0.00 -0.38 1.04 8.00 -1.26 -1.65 116.55 119.72 1uho n ASP 838 Ca -0.02 0.21 0.12 0.00 0.71 0.00 0.00 54.79 55.82 1uho n ASP 838 Cb 0.07 -0.37 0.23 0.00 -0.02 0.00 0.00 41.12 41.03 1uho n ASP 838 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1uho h PHE 840 N 1.88 0.74 -1.00 0.00 3.57 -1.48 0.35 116.94 121.00 1uho h PHE 840 Ca 0.00 0.04 0.26 0.00 3.53 0.00 0.00 57.97 61.80 1uho h PHE 840 Cb 0.62 -0.15 -0.13 0.00 2.79 0.00 0.00 35.95 39.08 1uho h PHE 840 CO 0.00 -0.42 0.59 -1.35 -2.23 0.00 0.00 178.31 174.90 1uho h PRO 841 N 0.06 0.53 0.23 6.41 0.11 -1.84 0.40 132.00 137.89 1uho h PRO 841 Ca 0.80 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.86 1uho h PRO 841 Cb 2.02 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 33.01 1uho h PRO 841 CO -0.76 0.35 -0.11 -0.07 -0.21 0.00 0.00 178.00 177.21 1uho h LEU 842 N 0.55 -0.26 -0.72 2.35 3.38 -1.26 -0.62 115.31 118.72 1uho h LEU 842 Ca 0.66 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.54 1uho h LEU 842 Cb 1.28 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 42.07 1uho h LEU 842 CO -0.49 -0.09 0.41 0.25 0.09 0.00 0.00 178.44 178.61 1uho h LEU 843 N -0.41 0.89 -0.27 1.67 5.85 -1.10 -0.90 115.31 121.03 1uho h LEU 843 Ca -0.03 -0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.62 1uho h LEU 843 Cb 0.32 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 1uho h LEU 843 CO 0.05 0.71 0.14 -0.78 -0.34 0.00 0.00 178.44 178.22 1uho h ASP 844 N 0.99 0.21 0.54 1.25 3.58 -0.18 -1.88 116.42 120.93 1uho h ASP 844 Ca 0.26 0.01 -0.11 0.00 0.42 0.00 0.00 57.03 57.61 1uho h ASP 844 Cb 0.01 -0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.01 1uho h ASP 844 CO -0.04 0.16 -0.51 1.23 -2.88 0.00 0.00 179.24 177.20 1uho h GLY 845 N 0.29 0.00 0.90 -0.78 0.00 -0.84 -2.12 103.07 100.52 1uho h GLY 845 Ca 0.11 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.41 1uho h GLY 845 CO -0.07 0.00 0.08 0.00 0.00 0.00 0.00 176.54 176.55 1uho h ARG 847 N 0.35 -0.03 -0.74 0.00 3.08 -1.15 -2.17 114.38 113.72 1uho h ARG 847 Ca 0.10 0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.22 1uho h ARG 847 Cb 0.29 0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.30 1uho h ARG 847 CO 0.00 -0.01 0.49 0.87 -1.07 0.00 0.00 179.97 180.25 1uho h LYS 848 N -0.04 0.76 -0.50 0.04 1.57 -1.33 -1.12 116.57 115.94 1uho h LYS 848 Ca -0.00 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.66 1uho h LYS 848 Cb 0.03 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.15 1uho h LYS 848 CO 0.00 0.50 0.01 -0.91 -0.57 0.00 0.00 179.45 178.49 1uho h ASN 849 N 0.78 0.79 -0.70 0.86 -0.26 -0.78 -2.25 115.58 114.02 1uho h ASN 849 Ca 0.32 -0.19 -0.07 0.00 -0.56 0.00 0.00 56.30 55.80 1uho h ASN 849 Cb 0.26 -0.21 -0.03 0.00 -1.06 0.00 0.00 38.32 37.28 1uho h ASN 849 CO -0.11 0.85 0.17 -0.09 -1.06 0.00 0.00 177.43 177.20 1uho h ARG 850 N 0.77 1.12 -0.53 0.81 2.43 -0.62 -0.83 114.38 117.53 1uho h ARG 850 Ca 0.15 -0.27 -0.01 0.00 -0.81 0.00 0.00 59.98 59.05 1uho h ARG 850 Cb 0.45 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.83 1uho h ARG 850 CO 0.02 0.99 0.31 1.96 -1.51 0.00 0.00 179.97 181.74 1uho h GLN 851 N 1.06 0.73 -0.09 0.20 4.20 -1.15 0.25 115.11 120.31 1uho h GLN 851 Ca 0.22 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.86 1uho h GLN 851 Cb 0.37 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 27.99 1uho h GLN 851 CO 0.00 0.54 0.06 0.87 -0.67 0.00 0.00 178.83 179.63 1uho h LYS 852 N 0.71 0.13 -0.24 1.46 1.79 -1.04 -1.94 116.57 117.43 1uho h LYS 852 Ca 0.19 -0.01 -0.10 0.00 -2.18 0.00 0.00 60.65 58.55 1uho h LYS 852 Cb 0.01 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.62 1uho h LYS 852 CO -0.03 0.14 -0.28 -1.49 -1.08 0.00 0.00 179.45 176.70 1uho h TRP 853 N 0.08 0.55 -0.12 -1.35 -0.00 -0.94 -2.89 115.95 111.27 1uho h TRP 853 Ca 0.03 -0.12 -0.01 0.00 -0.00 0.00 0.00 58.89 58.79 1uho h TRP 853 Cb 0.05 -0.13 -0.01 0.00 -0.00 0.00 0.00 29.16 29.07 1uho h TRP 853 CO -0.05 0.72 0.05 0.37 -0.00 0.00 0.00 178.44 179.53 1uho h GLN 854 N 0.42 0.18 -0.08 0.49 -0.00 -0.31 -1.15 115.11 114.65 1uho h GLN 854 Ca 0.06 -0.03 0.04 0.00 -0.00 0.00 0.00 58.65 58.72 1uho h GLN 854 Cb 0.71 -0.03 -0.06 0.00 0.00 0.00 0.00 27.48 28.10 1uho h GLN 854 CO 0.05 0.26 -0.32 0.00 0.00 0.00 0.00 178.83 178.83 1uho h ALA 855 N 0.91 -0.40 -0.46 3.38 0.00 -1.31 -2.48 119.26 118.91 1uho h ALA 855 Ca 0.04 0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.02 1uho h ALA 855 Cb 0.14 0.59 -0.05 0.00 0.00 0.00 0.00 17.79 18.47 1uho h ALA 855 CO -0.00 -0.81 0.16 -0.07 0.00 0.00 0.00 179.25 178.53 1uho h LEU 856 N -0.42 0.17 -2.32 0.00 3.38 -1.40 0.44 115.31 115.16 1uho h LEU 856 Ca 0.08 0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.14 1uho h LEU 856 Cb 0.55 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 1uho h LEU 856 CO -0.32 0.13 0.21 0.00 0.09 0.00 0.00 178.44 178.55 1uho h ALA 857 N 1.30 1.52 0.00 1.53 0.00 -0.76 0.60 119.26 123.46 1uho h ALA 857 Ca 0.22 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.97 1uho h ALA 857 Cb 0.21 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1uho h ALA 857 CO -0.22 -0.26 -1.29 0.39 0.00 0.00 0.00 179.25 177.87 1uho n GLU 858 N -3.39 0.53 0.24 0.00 1.02 -0.71 -4.13 120.64 114.20 1uho n GLU 858 Ca -0.00 0.38 0.17 0.00 -0.02 0.00 0.00 57.16 57.68 1uho n GLU 858 Cb 0.30 -1.57 0.77 0.00 -0.02 0.00 0.00 31.44 30.91 1uho n GLU 858 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 1uho h GLN 859 N -1.00 0.00 0.00 3.49 4.15 -0.71 -3.52 115.11 117.52 1uho h GLN 859 Ca -0.23 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.19 1uho h GLN 859 Cb 1.08 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.77 1uho h GLN 859 CO -0.14 0.00 0.00 0.94 -1.93 0.00 0.00 178.83 177.70