#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xp0 h GLU 535 N 0.00 0.24 0.07 5.31 4.57 -2.06 -2.96 114.58 119.75 1xp0 h GLU 535 Ca 0.00 -0.04 -0.24 0.00 -1.18 0.00 0.00 59.36 57.89 1xp0 h GLU 535 Cb 0.00 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.54 1xp0 h GLU 535 CO 0.00 0.31 -1.11 0.93 -1.18 0.00 0.00 179.01 177.96 1xp0 h GLU 536 N 0.23 0.21 0.00 1.92 5.08 -2.06 -2.83 114.58 117.14 1xp0 h GLU 536 Ca 0.05 -0.32 -0.07 0.00 -1.00 0.00 0.00 59.36 58.02 1xp0 h GLU 536 Cb 0.25 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 1xp0 h GLU 536 CO 0.01 1.12 -0.36 1.15 -1.00 0.00 0.00 179.01 179.94 1xp0 h THR 537 N 0.07 1.07 -0.18 1.13 2.02 -1.97 -1.79 112.91 113.27 1xp0 h THR 537 Ca -0.09 -1.30 -0.17 0.00 0.77 0.00 0.00 66.41 65.62 1xp0 h THR 537 Cb 1.83 1.74 0.00 0.00 -1.74 0.00 0.00 68.15 69.98 1xp0 h THR 537 CO 0.17 0.35 -0.54 -0.09 0.37 0.00 0.00 175.52 175.79 1xp0 h ARG 538 N 0.00 0.67 -0.64 6.66 1.12 -1.54 -2.10 114.38 118.55 1xp0 h ARG 538 Ca -0.00 -0.49 -0.01 0.00 -1.11 0.00 0.00 59.98 58.37 1xp0 h ARG 538 Cb 0.71 0.08 -0.03 0.00 -0.01 0.00 0.00 29.97 30.73 1xp0 h ARG 538 CO 0.05 1.11 0.35 1.49 -3.11 0.00 0.00 179.97 179.86 1xp0 h GLU 539 N 0.36 0.88 -0.35 0.20 4.81 -1.25 -1.34 114.58 117.89 1xp0 h GLU 539 Ca -0.02 -0.10 -0.03 0.00 -0.13 0.00 0.00 59.36 59.08 1xp0 h GLU 539 Cb 1.16 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.35 1xp0 h GLU 539 CO 0.11 0.67 0.09 1.25 -0.73 0.00 0.00 179.01 180.40 1xp0 h LEU 540 N 0.87 0.53 -0.57 1.64 6.46 -1.30 -1.73 115.31 121.20 1xp0 h LEU 540 Ca 0.22 -0.23 -0.10 0.00 -0.12 0.00 0.00 57.88 57.66 1xp0 h LEU 540 Cb 0.04 -0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 39.81 1xp0 h LEU 540 CO -0.04 0.62 -0.02 1.56 -0.62 0.00 0.00 178.44 179.94 1xp0 h GLN 541 N 0.42 1.02 -0.44 1.25 4.20 -1.22 -1.21 115.11 119.13 1xp0 h GLN 541 Ca 0.11 -0.33 0.00 0.00 0.06 0.00 0.00 58.65 58.49 1xp0 h GLN 541 Cb 0.29 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.96 1xp0 h GLN 541 CO 0.00 1.02 0.28 0.77 -0.67 0.00 0.00 178.83 180.23 1xp0 h SER 542 N 0.90 0.51 -0.06 1.46 0.02 -1.15 -1.87 113.55 113.36 1xp0 h SER 542 Ca 0.16 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.06 1xp0 h SER 542 Cb 0.57 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 62.98 1xp0 h SER 542 CO 0.03 0.39 0.00 0.25 -1.14 0.00 0.00 176.83 176.37 1xp0 h LEU 543 N 0.58 0.10 -1.57 5.07 5.85 -1.20 -2.64 115.31 121.50 1xp0 h LEU 543 Ca 0.16 -0.30 -0.02 0.00 0.84 0.00 0.00 57.88 58.57 1xp0 h LEU 543 Cb -0.03 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 1xp0 h LEU 543 CO -0.03 0.37 0.10 0.00 -0.34 0.00 0.00 178.44 178.54 1xp0 h ALA 544 N 0.73 1.67 0.00 1.25 0.00 -1.13 -2.93 119.26 118.85 1xp0 h ALA 544 Ca 0.02 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1xp0 h ALA 544 Cb 0.32 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1xp0 h ALA 544 CO 0.00 0.27 -0.68 0.00 0.00 0.00 0.00 179.25 178.84 1xp0 h ALA 545 N 1.73 0.62 -2.54 0.00 0.00 -1.35 -3.47 119.26 114.25 1xp0 h ALA 545 Ca 0.10 0.00 -0.49 0.00 0.00 0.00 0.00 54.91 54.51 1xp0 h ALA 545 Cb 0.10 0.00 0.05 0.00 0.00 0.00 0.00 17.79 17.93 1xp0 h ALA 545 CO -0.01 0.00 0.43 0.00 0.00 0.00 0.00 179.25 179.67 1xp0 s ALA 546 N -3.26 2.91 0.52 0.00 0.00 -1.00 -5.02 121.76 115.91 1xp0 s ALA 546 Ca 0.03 0.78 -0.19 0.00 0.00 0.00 0.00 51.96 52.58 1xp0 s ALA 546 Cb 0.10 -3.32 -0.07 0.00 0.00 0.00 0.00 23.12 19.83 1xp0 s ALA 546 CO 0.74 -0.50 1.06 0.14 0.00 0.00 0.00 175.76 177.21 1xp0 s VAL 547 N -1.72 3.65 -0.45 0.00 -7.23 -1.26 -5.01 120.40 108.38 1xp0 s VAL 547 Ca 0.65 0.99 -0.16 0.00 -1.81 0.00 0.00 61.98 61.65 1xp0 s VAL 547 Cb -0.23 -3.40 0.05 0.00 0.56 0.00 0.00 36.38 33.36 1xp0 s VAL 547 CO 0.28 -0.26 0.39 -0.69 -0.31 0.00 0.00 175.10 174.50 1xp0 s VAL 548 N -2.01 5.19 0.87 1.32 1.01 -1.26 -5.04 120.40 120.48 1xp0 s VAL 548 Ca 0.68 -0.78 -0.10 0.00 0.00 0.00 0.00 61.98 61.78 1xp0 s VAL 548 Cb -0.18 -4.06 0.12 0.00 0.00 0.00 0.00 36.38 32.26 1xp0 s VAL 548 CO 0.24 -0.49 1.13 -2.84 0.00 0.00 0.00 175.10 173.14 1xp0 s PRO 549 N 1.81 1.38 0.77 2.72 0.02 -1.26 -4.98 135.00 135.45 1xp0 s PRO 549 Ca 0.06 1.43 -0.12 0.00 0.02 0.00 0.00 61.00 62.40 1xp0 s PRO 549 Cb -0.21 -1.78 0.06 0.00 0.02 0.00 0.00 34.50 32.59 1xp0 s PRO 549 CO 0.09 -2.34 1.11 -1.54 -0.33 0.00 0.00 177.00 173.99 1xp0 s SER 550 N -2.89 4.30 0.30 2.53 1.04 -1.26 -4.86 113.70 112.85 1xp0 s SER 550 Ca 0.65 1.97 -0.02 0.00 0.48 0.00 0.00 55.95 59.03 1xp0 s SER 550 Cb -0.21 -2.54 0.45 0.00 0.10 0.00 0.00 66.02 63.82 1xp0 s SER 550 CO 0.57 -2.18 1.96 0.00 0.98 0.00 0.00 173.24 174.58 1xp0 h ALA 551 N -0.98 1.42 -0.30 5.32 0.00 -1.93 -1.89 119.26 120.90 1xp0 h ALA 551 Ca -0.44 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1xp0 h ALA 551 Cb 1.25 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1xp0 h ALA 551 CO 0.50 0.52 0.19 0.37 0.00 0.00 0.00 179.25 180.83 1xp0 h GLN 552 N 1.11 0.40 -0.89 0.00 4.15 -1.97 -0.48 115.11 117.44 1xp0 h GLN 552 Ca 0.32 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.69 1xp0 h GLN 552 Cb -0.08 -0.09 -0.04 0.00 0.21 0.00 0.00 27.48 27.48 1xp0 h GLN 552 CO -0.08 0.29 0.50 1.15 -1.93 0.00 0.00 178.83 178.76 1xp0 h THR 553 N 0.39 1.26 0.00 2.39 2.02 -1.82 -2.82 112.91 114.33 1xp0 h THR 553 Ca 0.11 -0.62 0.00 0.00 0.77 0.00 0.00 66.41 66.66 1xp0 h THR 553 Cb -0.02 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 66.44 1xp0 h THR 553 CO -0.02 0.29 -0.05 0.18 0.37 0.00 0.00 175.52 176.29 1xp0 n LEU 554 N -4.35 0.12 -1.29 2.58 4.77 -0.75 -4.92 117.00 113.16 1xp0 n LEU 554 Ca 0.09 0.46 -0.17 0.00 -0.03 0.00 0.00 56.01 56.37 1xp0 n LEU 554 Cb 0.09 -0.46 -0.07 0.00 -2.33 0.00 0.00 43.42 40.65 1xp0 n LEU 554 CO 0.39 -0.01 -0.16 0.29 -1.33 0.00 0.00 177.39 176.57 1xp0 n LYS 555 N -1.58 -1.29 0.00 3.23 5.02 -0.22 -4.87 118.16 118.46 1xp0 n LYS 555 Ca 0.07 1.09 0.09 0.00 -2.02 0.00 0.00 58.31 57.53 1xp0 n LYS 555 Cb 0.35 -5.35 0.41 0.00 -0.02 0.00 0.00 35.03 30.42 1xp0 n LYS 555 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 1xp0 n ILE 556 N -2.45 0.67 1.21 -0.18 -5.35 -1.17 -1.92 119.36 110.18 1xp0 n ILE 556 Ca -0.17 0.17 0.14 0.00 -0.27 0.00 0.00 62.75 62.62 1xp0 n ILE 556 Cb 0.58 -0.85 0.53 0.00 -1.74 0.00 0.00 39.64 38.17 1xp0 n ILE 556 CO 0.00 0.00 0.00 0.41 -1.76 0.00 0.00 176.55 175.20 1xp0 n THR 557 N -1.47 0.00 -2.97 7.28 -1.04 -1.26 -4.18 114.28 110.64 1xp0 n THR 557 Ca 0.05 -0.03 -0.40 0.00 -2.04 0.00 0.00 64.05 61.63 1xp0 n THR 557 Cb 0.21 -0.12 -0.04 0.00 -1.82 0.00 0.00 70.33 68.55 1xp0 n THR 557 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 1xp0 s ASP 558 N -2.72 7.11 0.49 8.00 1.01 -0.81 -4.57 116.67 125.18 1xp0 s ASP 558 Ca 0.21 1.33 0.25 0.00 0.71 0.00 0.00 52.55 55.05 1xp0 s ASP 558 Cb 0.19 -2.45 1.28 0.00 1.01 0.00 0.00 42.92 42.95 1xp0 s ASP 558 CO 0.54 -0.12 2.01 -0.26 0.21 0.00 0.00 175.17 177.55 1xp0 h PHE 559 N 6.54 0.00 -0.06 4.23 -1.00 -1.89 -2.45 116.94 122.31 1xp0 h PHE 559 Ca -0.42 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.36 1xp0 h PHE 559 Cb 1.20 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.76 1xp0 h PHE 559 CO 0.65 0.16 0.00 -1.13 -1.61 0.00 0.00 178.31 176.39 1xp0 n SER 560 N -3.70 0.58 -4.53 2.17 3.41 -1.26 -4.89 113.62 105.41 1xp0 n SER 560 Ca -0.02 -1.55 -0.46 0.00 -0.26 0.00 0.00 58.87 56.59 1xp0 n SER 560 Cb 0.28 -0.04 -0.02 0.00 -0.26 0.00 0.00 64.21 64.17 1xp0 n SER 560 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 1xp0 n PHE 561 N -0.39 0.71 -4.57 7.33 7.35 -0.92 -4.79 117.46 122.17 1xp0 n PHE 561 Ca 0.14 0.79 -0.23 0.00 -0.76 0.00 0.00 57.45 57.39 1xp0 n PHE 561 Cb 0.15 -2.16 -0.16 0.00 0.35 0.00 0.00 39.48 37.67 1xp0 n PHE 561 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1xp0 s SER 562 N -0.66 1.64 0.00 -2.13 0.15 -1.26 -5.03 113.70 106.41 1xp0 s SER 562 Ca 0.61 -0.26 0.26 0.00 0.70 0.00 0.00 55.95 57.26 1xp0 s SER 562 Cb -0.79 -0.54 0.69 0.00 -1.71 0.00 0.00 66.02 63.68 1xp0 s SER 562 CO 0.58 0.08 1.53 -0.90 1.20 0.00 0.00 173.24 175.73 1xp0 n ASP 563 N 3.40 1.40 -0.34 5.45 5.75 -1.26 -4.61 116.55 126.33 1xp0 n ASP 563 Ca -0.20 -1.19 0.11 0.00 -0.01 0.00 0.00 54.79 53.50 1xp0 n ASP 563 Cb 0.53 0.14 0.31 0.00 -1.03 0.00 0.00 41.12 41.07 1xp0 n ASP 563 CO 0.00 0.00 0.00 0.15 -0.11 0.00 0.00 177.20 177.24 1xp0 h PHE 564 N 1.87 1.05 -0.14 2.11 3.57 -2.01 -0.80 116.94 122.58 1xp0 h PHE 564 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1xp0 h PHE 564 Cb 0.57 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 38.98 1xp0 h PHE 564 CO 0.00 0.32 0.00 0.39 -2.23 0.00 0.00 178.31 176.79 1xp0 n GLU 565 N -4.68 1.88 -3.52 1.11 -0.58 -1.26 -4.93 120.64 108.65 1xp0 n GLU 565 Ca 0.21 -1.30 -0.34 0.00 -0.42 0.00 0.00 57.16 55.31 1xp0 n GLU 565 Cb 0.49 -1.44 -0.05 0.00 -0.57 0.00 0.00 31.44 29.87 1xp0 n GLU 565 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1xp0 s LEU 566 N -1.72 4.33 0.69 -4.62 1.43 -0.31 -5.08 118.68 113.40 1xp0 s LEU 566 Ca 0.34 0.85 -0.10 0.00 -1.03 0.00 0.00 54.13 54.18 1xp0 s LEU 566 Cb 0.19 -3.12 0.02 0.00 0.03 0.00 0.00 46.19 43.31 1xp0 s LEU 566 CO 0.29 0.13 1.06 -0.94 0.23 0.00 0.00 176.35 177.12 1xp0 s SER 567 N -1.85 5.44 0.20 2.29 1.04 -1.26 -4.88 113.70 114.69 1xp0 s SER 567 Ca 0.36 1.03 -0.10 0.00 0.48 0.00 0.00 55.95 57.72 1xp0 s SER 567 Cb -0.14 -1.86 0.25 0.00 0.10 0.00 0.00 66.02 64.37 1xp0 s SER 567 CO 0.19 -1.30 1.75 0.44 0.98 0.00 0.00 173.24 175.30 1xp0 h ASP 568 N -0.57 0.24 -0.59 7.02 3.32 -1.98 -0.88 116.42 122.97 1xp0 h ASP 568 Ca -0.45 0.07 0.04 0.00 0.02 0.00 0.00 57.03 56.71 1xp0 h ASP 568 Cb 1.26 0.04 -0.05 0.00 0.22 0.00 0.00 39.33 40.80 1xp0 h ASP 568 CO 0.63 0.15 0.34 0.25 -1.72 0.00 0.00 179.24 178.89 1xp0 h LEU 569 N 0.42 0.51 -0.87 1.55 5.85 -2.00 -2.10 115.31 118.67 1xp0 h LEU 569 Ca 0.29 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.99 1xp0 h LEU 569 Cb 0.33 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.24 1xp0 h LEU 569 CO -0.28 0.35 0.31 -0.33 -0.34 0.00 0.00 178.44 178.14 1xp0 h GLU 570 N 0.64 1.14 -0.31 1.25 5.08 -1.67 -1.15 114.58 119.56 1xp0 h GLU 570 Ca 0.26 -0.20 -0.05 0.00 -1.00 0.00 0.00 59.36 58.37 1xp0 h GLU 570 Cb 0.11 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 1xp0 h GLU 570 CO -0.14 0.92 -0.02 1.79 -1.00 0.00 0.00 179.01 180.55 1xp0 h THR 571 N 1.11 1.19 -0.49 1.13 1.35 -0.74 -0.28 112.91 116.18 1xp0 h THR 571 Ca 0.26 -0.78 -0.13 0.00 -0.55 0.00 0.00 66.41 65.20 1xp0 h THR 571 Cb 0.21 0.98 -0.01 0.00 -1.73 0.00 0.00 68.15 67.60 1xp0 h THR 571 CO -0.02 0.26 -0.20 0.00 -0.25 0.00 0.00 175.52 175.31 1xp0 h ALA 572 N 1.52 0.69 -0.64 6.62 0.00 -0.74 -1.55 119.26 125.16 1xp0 h ALA 572 Ca 0.10 -0.39 -0.07 0.00 0.00 0.00 0.00 54.91 54.55 1xp0 h ALA 572 Cb 0.34 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1xp0 h ALA 572 CO 0.01 0.66 0.10 -0.07 0.00 0.00 0.00 179.25 179.96 1xp0 h LEU 573 N 0.86 1.00 -0.71 0.00 3.38 -0.75 -1.51 115.31 117.58 1xp0 h LEU 573 Ca 0.11 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 57.86 1xp0 h LEU 573 Cb 0.78 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.23 1xp0 h LEU 573 CO 0.06 0.99 0.47 0.00 0.09 0.00 0.00 178.44 180.06 1xp0 h THR 575 N 0.97 1.17 -0.86 0.00 2.02 -0.86 -0.68 112.91 114.66 1xp0 h THR 575 Ca 0.26 -0.45 0.04 0.00 0.77 0.00 0.00 66.41 67.03 1xp0 h THR 575 Cb -0.11 0.61 -0.05 0.00 -1.74 0.00 0.00 68.15 66.86 1xp0 h THR 575 CO -0.06 0.18 0.55 0.40 0.37 0.00 0.00 175.52 176.97 1xp0 h ILE 576 N 0.62 1.13 -0.54 3.11 2.04 -0.94 -1.93 117.51 121.00 1xp0 h ILE 576 Ca 0.16 -0.37 -0.06 0.00 1.00 0.00 0.00 64.86 65.60 1xp0 h ILE 576 Cb 0.07 -0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.09 1xp0 h ILE 576 CO -0.02 0.19 0.10 -0.09 0.00 0.00 0.00 178.15 178.33 1xp0 h ARG 577 N 1.07 0.84 -0.11 2.37 9.65 -0.65 -0.75 114.38 126.81 1xp0 h ARG 577 Ca 0.35 -0.19 -0.00 0.00 -1.10 0.00 0.00 59.98 59.04 1xp0 h ARG 577 Cb 0.03 -0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 28.49 1xp0 h ARG 577 CO -0.13 0.78 0.06 0.52 2.80 0.00 0.00 179.97 184.01 1xp0 h MET 578 N 0.80 0.15 -0.79 0.20 2.86 -0.41 0.28 114.93 118.02 1xp0 h MET 578 Ca 0.17 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.77 1xp0 h MET 578 Cb 0.34 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 31.93 1xp0 h MET 578 CO 0.00 0.16 0.39 0.74 1.06 0.00 0.00 176.91 179.26 1xp0 h PHE 579 N 0.10 1.12 0.08 -0.22 -1.00 -1.07 -2.47 116.94 113.48 1xp0 h PHE 579 Ca 0.04 -0.04 -0.00 0.00 2.81 0.00 0.00 57.97 60.77 1xp0 h PHE 579 Cb 0.05 -0.35 0.00 0.00 3.61 0.00 0.00 35.95 39.26 1xp0 h PHE 579 CO -0.05 0.80 -0.04 1.15 -1.61 0.00 0.00 178.31 178.57 1xp0 h THR 580 N 1.12 1.17 0.00 -1.55 2.02 -0.87 -1.25 112.91 113.54 1xp0 h THR 580 Ca 0.27 -0.92 0.00 0.00 0.77 0.00 0.00 66.41 66.53 1xp0 h THR 580 Cb 0.09 1.76 0.00 0.00 -1.74 0.00 0.00 68.15 68.26 1xp0 h THR 580 CO -0.04 0.22 0.00 0.47 0.37 0.00 0.00 175.52 176.55 1xp0 n ASP 581 N -4.94 0.54 -0.79 4.18 9.92 0.06 -1.69 116.55 123.83 1xp0 n ASP 581 Ca -0.08 0.61 0.08 0.00 -0.53 0.00 0.00 54.79 54.87 1xp0 n ASP 581 Cb 0.23 -0.73 0.24 0.00 -0.64 0.00 0.00 41.12 40.23 1xp0 n ASP 581 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1xp0 n LEU 582 N -2.07 2.31 -1.83 0.64 4.77 -0.93 -4.94 117.00 114.95 1xp0 n LEU 582 Ca 0.03 -1.10 -0.20 0.00 -0.03 0.00 0.00 56.01 54.71 1xp0 n LEU 582 Cb 0.26 -0.25 -0.06 0.00 -2.33 0.00 0.00 43.42 41.05 1xp0 n LEU 582 CO 0.21 0.55 -0.22 0.59 -1.33 0.00 0.00 177.39 177.19 1xp0 n ASN 583 N 0.75 -5.55 0.07 -1.43 3.02 -0.68 -4.91 115.26 106.53 1xp0 n ASN 583 Ca 0.16 0.30 -0.15 0.00 -0.03 0.00 0.00 54.58 54.86 1xp0 n ASN 583 Cb 0.39 -4.73 -0.07 0.00 -0.61 0.00 0.00 39.78 34.76 1xp0 n ASN 583 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1xp0 h LEU 584 N 0.00 0.62 -0.37 3.41 3.38 -1.42 -1.83 115.31 119.10 1xp0 h LEU 584 Ca -0.44 -0.51 -0.04 0.00 0.09 0.00 0.00 57.88 56.98 1xp0 h LEU 584 Cb 1.33 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 1xp0 h LEU 584 CO 0.59 1.32 0.06 0.58 0.09 0.00 0.00 178.44 181.07 1xp0 h VAL 585 N 0.26 1.24 0.12 1.22 2.07 -1.84 -2.51 116.25 116.81 1xp0 h VAL 585 Ca -0.10 -0.86 -0.01 0.00 0.82 0.00 0.00 66.70 66.56 1xp0 h VAL 585 Cb 1.65 1.09 0.00 0.00 -1.52 0.00 0.00 31.29 32.50 1xp0 h VAL 585 CO 0.18 0.29 -0.06 -0.61 0.02 0.00 0.00 177.57 177.39 1xp0 h GLN 586 N 0.45 -0.16 0.00 1.57 4.15 -1.89 -1.11 115.11 118.13 1xp0 h GLN 586 Ca 0.11 0.01 -0.07 0.00 0.77 0.00 0.00 58.65 59.48 1xp0 h GLN 586 Cb 0.37 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.09 1xp0 h GLN 586 CO 0.01 0.28 -0.32 -0.91 -1.93 0.00 0.00 178.83 175.96 1xp0 h ASN 587 N -0.68 0.00 -0.25 -0.69 2.35 -1.40 -2.95 115.58 111.96 1xp0 h ASN 587 Ca -0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 1xp0 h ASN 587 Cb 0.51 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.88 1xp0 h ASN 587 CO 0.03 0.32 0.00 0.49 -1.65 0.00 0.00 177.43 176.62 1xp0 n PHE 588 N -3.79 0.53 -3.94 1.19 3.01 -0.95 -5.01 117.46 108.52 1xp0 n PHE 588 Ca -0.01 -0.66 -0.39 0.00 1.01 0.00 0.00 57.45 57.40 1xp0 n PHE 588 Cb 0.41 -0.14 0.02 0.00 -0.01 0.00 0.00 39.48 39.76 1xp0 n PHE 588 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 1xp0 n GLN 589 N -0.10 -0.87 -2.80 -1.08 1.13 -0.74 -4.09 117.38 108.83 1xp0 n GLN 589 Ca 0.14 0.24 -0.40 0.00 -1.94 0.00 0.00 57.00 55.03 1xp0 n GLN 589 Cb 0.58 -3.33 -0.05 0.00 0.11 0.00 0.00 30.24 27.55 1xp0 n GLN 589 CO 0.00 0.00 0.00 -1.64 -1.44 0.00 0.00 177.06 173.98 1xp0 s MET 590 N -6.84 4.69 -0.05 -1.09 -1.94 -0.50 -4.67 119.30 108.91 1xp0 s MET 590 Ca 0.42 1.37 -0.27 0.00 -1.71 0.00 0.00 55.69 55.50 1xp0 s MET 590 Cb -0.20 -3.34 -0.03 0.00 2.01 0.00 0.00 34.83 33.27 1xp0 s MET 590 CO 0.93 0.33 0.86 0.15 -0.01 0.00 0.00 175.02 177.28 1xp0 s LYS 591 N -0.40 4.47 0.24 2.03 1.02 -1.26 -4.91 119.74 120.93 1xp0 s LYS 591 Ca 0.43 1.17 -0.05 0.00 0.02 0.00 0.00 55.97 57.54 1xp0 s LYS 591 Cb -0.23 -3.48 0.45 0.00 -0.52 0.00 0.00 37.83 34.05 1xp0 s LYS 591 CO 0.29 -0.07 1.69 1.25 -0.92 0.00 0.00 175.35 177.59 1xp0 h HIS 592 N 6.88 0.29 -0.67 3.18 -0.00 -1.99 -0.57 115.15 122.27 1xp0 h HIS 592 Ca -0.39 0.04 -0.03 0.00 -0.00 0.00 0.00 60.37 59.99 1xp0 h HIS 592 Cb 1.19 -0.02 -0.03 0.00 -0.00 0.00 0.00 27.41 28.56 1xp0 h HIS 592 CO 0.68 -0.07 0.29 1.49 -0.00 0.00 0.00 177.93 180.32 1xp0 h GLU 593 N 0.29 0.99 -0.41 5.26 4.81 -1.96 -0.92 114.58 122.64 1xp0 h GLU 593 Ca 0.41 -0.17 -0.07 0.00 -0.13 0.00 0.00 59.36 59.40 1xp0 h GLU 593 Cb 0.68 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.88 1xp0 h GLU 593 CO -0.49 0.81 -0.01 0.28 -0.73 0.00 0.00 179.01 178.87 1xp0 h VAL 594 N 0.95 1.26 -0.70 0.32 2.07 -1.41 -1.80 116.25 116.94 1xp0 h VAL 594 Ca 0.23 -1.04 0.00 0.00 0.82 0.00 0.00 66.70 66.71 1xp0 h VAL 594 Cb 0.17 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 1xp0 h VAL 594 CO -0.02 0.35 0.46 0.25 0.02 0.00 0.00 177.57 178.63 1xp0 h LEU 595 N 0.56 0.82 -0.42 2.57 5.85 -0.88 -0.31 115.31 123.49 1xp0 h LEU 595 Ca 0.11 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 1xp0 h LEU 595 Cb 0.50 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 1xp0 h LEU 595 CO 0.02 0.60 0.22 0.00 -0.34 0.00 0.00 178.44 178.94 1xp0 h ARG 597 N 0.54 0.69 -0.58 0.00 2.43 -1.12 -1.48 114.38 114.87 1xp0 h ARG 597 Ca 0.15 -0.20 -0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1xp0 h ARG 597 Cb 0.08 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.53 1xp0 h ARG 597 CO -0.02 0.76 0.36 2.35 -1.51 0.00 0.00 179.97 181.91 1xp0 h TRP 598 N 0.53 0.75 -0.59 2.20 7.01 -0.83 0.15 115.95 125.18 1xp0 h TRP 598 Ca 0.12 0.00 -0.02 0.00 2.11 0.00 0.00 58.89 61.10 1xp0 h TRP 598 Cb 0.42 -0.25 -0.03 0.00 -2.10 0.00 0.00 29.16 27.20 1xp0 h TRP 598 CO 0.03 0.50 0.27 0.82 -2.79 0.00 0.00 178.44 177.27 1xp0 h ILE 599 N 0.78 1.21 -0.43 2.65 2.04 -0.96 -1.11 117.51 121.70 1xp0 h ILE 599 Ca 0.21 -0.62 -0.07 0.00 1.00 0.00 0.00 64.86 65.38 1xp0 h ILE 599 Cb -0.04 0.54 -0.02 0.00 -0.74 0.00 0.00 36.82 36.56 1xp0 h ILE 599 CO -0.04 0.25 -0.04 -0.07 0.00 0.00 0.00 178.15 178.25 1xp0 h LEU 600 N 0.80 0.69 -0.55 1.44 3.38 -0.73 -1.69 115.31 118.64 1xp0 h LEU 600 Ca 0.20 -0.17 -0.11 0.00 0.09 0.00 0.00 57.88 57.89 1xp0 h LEU 600 Cb 0.14 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1xp0 h LEU 600 CO -0.02 0.78 -0.10 0.28 0.09 0.00 0.00 178.44 179.47 1xp0 h SER 601 N 0.67 1.04 -0.01 -0.43 0.02 -0.18 -2.10 113.55 112.56 1xp0 h SER 601 Ca 0.13 -0.35 -0.00 0.00 -0.84 0.00 0.00 61.79 60.73 1xp0 h SER 601 Cb 0.47 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 62.72 1xp0 h SER 601 CO 0.02 1.14 0.00 0.58 -1.14 0.00 0.00 176.83 177.44 1xp0 h VAL 602 N 0.92 1.10 -0.69 2.27 2.07 -1.02 -2.58 116.25 118.32 1xp0 h VAL 602 Ca 0.14 -0.30 0.02 0.00 0.82 0.00 0.00 66.70 67.38 1xp0 h VAL 602 Cb 0.67 1.29 -0.04 0.00 -1.52 0.00 0.00 31.29 31.69 1xp0 h VAL 602 CO 0.05 0.08 0.44 0.50 0.02 0.00 0.00 177.57 178.66 1xp0 h LYS 603 N -0.11 0.87 0.00 1.57 3.64 -1.23 -2.18 116.57 119.12 1xp0 h LYS 603 Ca 0.00 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.29 1xp0 h LYS 603 Cb 0.13 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 1xp0 h LYS 603 CO -0.00 0.57 -0.20 -0.22 -2.27 0.00 0.00 179.45 177.34 1xp0 h LYS 604 N 0.89 0.00 -0.21 1.90 3.64 -1.33 -2.77 116.57 118.70 1xp0 h LYS 604 Ca 0.26 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.64 1xp0 h LYS 604 Cb -0.06 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 1xp0 h LYS 604 CO -0.08 0.20 0.00 0.09 -2.27 0.00 0.00 179.45 177.39 1xp0 n ASN 605 N -3.60 1.35 -4.89 4.20 3.02 -0.82 -4.76 115.26 109.76 1xp0 n ASN 605 Ca -0.01 -1.84 -0.33 0.00 -0.03 0.00 0.00 54.58 52.37 1xp0 n ASN 605 Cb 0.33 -0.14 -0.05 0.00 -0.61 0.00 0.00 39.78 39.32 1xp0 n ASN 605 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1xp0 s TYR 606 N -1.73 3.52 -0.21 3.10 1.51 -1.05 -0.77 117.35 121.73 1xp0 s TYR 606 Ca 0.24 0.60 -0.23 0.00 -1.01 0.00 0.00 57.07 56.66 1xp0 s TYR 606 Cb 0.12 -2.02 -0.02 0.00 -0.11 0.00 0.00 41.96 39.93 1xp0 s TYR 606 CO 0.18 0.50 0.74 1.03 -1.11 0.00 0.00 175.55 176.88 1xp0 s ARG 607 N -2.30 4.21 0.43 -0.62 0.52 -1.26 -4.84 118.95 115.09 1xp0 s ARG 607 Ca 0.36 0.81 0.23 0.00 -0.52 0.00 0.00 55.73 56.60 1xp0 s ARG 607 Cb -0.13 -3.60 0.93 0.00 0.52 0.00 0.00 34.95 32.67 1xp0 s ARG 607 CO 0.22 -0.36 1.84 0.87 0.02 0.00 0.00 175.30 177.89 1xp0 h LYS 608 N 7.55 0.00 -0.00 3.54 1.57 -1.94 -3.00 116.57 124.28 1xp0 h LYS 608 Ca -0.28 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 1xp0 h LYS 608 Cb 1.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.43 1xp0 h LYS 608 CO 0.82 0.26 -0.03 0.27 -0.57 0.00 0.00 179.45 180.19 1xp0 n ASN 609 N -3.50 0.14 -4.66 0.86 6.94 -1.26 -4.75 115.26 109.03 1xp0 n ASN 609 Ca -0.00 -0.38 -0.39 0.00 -0.02 0.00 0.00 54.58 53.78 1xp0 n ASN 609 Cb 0.42 -0.19 -0.06 0.00 -2.36 0.00 0.00 39.78 37.59 1xp0 n ASN 609 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1xp0 s VAL 610 N -2.46 5.08 0.24 3.53 1.01 -1.14 -4.99 120.40 121.67 1xp0 s VAL 610 Ca 0.31 1.02 -0.07 0.00 0.00 0.00 0.00 61.98 63.25 1xp0 s VAL 610 Cb 0.20 -3.87 0.23 0.00 0.00 0.00 0.00 36.38 32.95 1xp0 s VAL 610 CO 0.45 0.15 1.91 0.00 0.00 0.00 0.00 175.10 177.62 1xp0 h ALA 611 N 7.50 1.20 0.00 5.51 0.00 -1.87 -3.40 119.26 128.20 1xp0 h ALA 611 Ca -0.33 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.44 1xp0 h ALA 611 Cb 1.15 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1xp0 h ALA 611 CO 0.75 0.57 -1.25 0.98 0.00 0.00 0.00 179.25 180.30 1xp0 n TYR 612 N -4.44 0.00 -1.74 0.00 4.19 -1.26 -4.84 117.16 109.07 1xp0 n TYR 612 Ca 0.11 0.00 -0.42 0.00 3.31 0.00 0.00 57.90 60.90 1xp0 n TYR 612 Cb 0.03 -0.19 -0.00 0.00 0.49 0.00 0.00 39.34 39.67 1xp0 n TYR 612 CO 0.00 0.00 0.00 0.72 0.91 0.00 0.00 176.86 178.49 1xp0 n HIS 613 N -3.26 3.53 -4.33 2.98 8.25 -1.26 -4.28 115.22 116.85 1xp0 n HIS 613 Ca -0.10 -2.95 -0.16 0.00 -0.26 0.00 0.00 57.72 54.25 1xp0 n HIS 613 Cb 0.55 -2.54 -0.04 0.00 1.12 0.00 0.00 29.99 29.08 1xp0 n HIS 613 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1xp0 n ASN 614 N 6.19 1.35 -0.32 0.41 0.23 -1.26 -4.60 115.26 117.26 1xp0 n ASN 614 Ca 0.52 -2.34 0.11 0.00 -0.53 0.00 0.00 54.58 52.34 1xp0 n ASN 614 Cb 0.39 0.58 0.33 0.00 -2.08 0.00 0.00 39.78 39.00 1xp0 n ASN 614 CO 0.00 0.00 0.00 -0.25 -0.93 0.00 0.00 177.26 176.08 1xp0 h TRP 615 N 1.38 0.96 -0.53 -2.53 2.91 -1.86 -1.72 115.95 114.56 1xp0 h TRP 615 Ca -0.20 0.03 -0.03 0.00 1.13 0.00 0.00 58.89 59.82 1xp0 h TRP 615 Cb 0.75 -0.30 -0.03 0.00 -0.51 0.00 0.00 29.16 29.08 1xp0 h TRP 615 CO 0.00 0.33 0.22 0.00 -1.03 0.00 0.00 178.44 177.96 1xp0 h ARG 616 N 0.79 0.75 -0.32 2.65 2.47 -1.97 0.11 114.38 118.86 1xp0 h ARG 616 Ca 0.49 -0.10 -0.06 0.00 -1.26 0.00 0.00 59.98 59.05 1xp0 h ARG 616 Cb 0.72 -0.14 -0.01 0.00 -1.65 0.00 0.00 29.97 28.89 1xp0 h ARG 616 CO -0.26 0.61 -0.05 1.25 0.56 0.00 0.00 179.97 182.08 1xp0 h HIS 617 N 0.75 0.67 -0.54 3.04 -0.00 -1.50 -0.66 115.15 116.91 1xp0 h HIS 617 Ca 0.18 -0.13 -0.05 0.00 -0.00 0.00 0.00 60.37 60.37 1xp0 h HIS 617 Cb 0.13 -0.17 -0.02 0.00 -0.00 0.00 0.00 27.41 27.35 1xp0 h HIS 617 CO 0.01 0.76 0.14 0.00 -0.00 0.00 0.00 177.93 178.84 1xp0 h ALA 618 N 0.82 0.71 -0.51 5.26 0.00 -1.18 -1.14 119.26 123.22 1xp0 h ALA 618 Ca 0.09 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1xp0 h ALA 618 Cb 0.52 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1xp0 h ALA 618 CO 0.03 0.39 0.25 0.35 0.00 0.00 0.00 179.25 180.27 1xp0 h PHE 619 N 0.75 0.74 -0.21 0.00 3.57 -0.71 -1.51 116.94 119.57 1xp0 h PHE 619 Ca 0.17 -0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.55 1xp0 h PHE 619 Cb 0.32 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.82 1xp0 h PHE 619 CO 0.02 0.58 -0.23 -0.91 -2.23 0.00 0.00 178.31 175.53 1xp0 h ASN 620 N 0.68 0.38 -0.43 0.41 2.35 -0.91 -0.81 115.58 117.25 1xp0 h ASN 620 Ca 0.18 -0.12 -0.06 0.00 -0.55 0.00 0.00 56.30 55.74 1xp0 h ASN 620 Cb 0.11 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.36 1xp0 h ASN 620 CO -0.02 0.63 0.02 0.74 -1.65 0.00 0.00 177.43 177.15 1xp0 h THR 621 N 0.35 1.26 -0.53 2.81 2.02 -0.84 -0.73 112.91 117.24 1xp0 h THR 621 Ca 0.06 -0.98 -0.07 0.00 0.77 0.00 0.00 66.41 66.18 1xp0 h THR 621 Cb 0.61 1.04 -0.02 0.00 -1.74 0.00 0.00 68.15 68.04 1xp0 h THR 621 CO 0.04 0.34 0.05 0.00 0.37 0.00 0.00 175.52 176.32 1xp0 h ALA 622 N 0.91 1.08 -0.57 6.16 0.00 -0.97 -1.58 119.26 124.30 1xp0 h ALA 622 Ca 0.13 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 1xp0 h ALA 622 Cb 0.45 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1xp0 h ALA 622 CO 0.02 0.59 0.09 0.37 0.00 0.00 0.00 179.25 180.32 1xp0 h GLN 623 N 0.82 0.95 -0.71 0.00 -0.00 -0.88 0.63 115.11 115.92 1xp0 h GLN 623 Ca 0.16 -0.25 -0.06 0.00 -0.00 0.00 0.00 58.65 58.50 1xp0 h GLN 623 Cb 0.42 -0.11 -0.03 0.00 0.00 0.00 0.00 27.48 27.76 1xp0 h GLN 623 CO 0.01 0.91 0.23 0.00 0.00 0.00 0.00 178.83 179.97 1xp0 h MET 625 N 1.05 0.43 -0.23 0.00 1.85 -0.76 0.65 114.93 117.92 1xp0 h MET 625 Ca 0.23 -0.03 0.02 0.00 -0.61 0.00 0.00 59.70 59.31 1xp0 h MET 625 Cb 0.29 -0.10 -0.02 0.00 0.43 0.00 0.00 31.60 32.20 1xp0 h MET 625 CO -0.01 0.29 0.11 0.35 -0.40 0.00 0.00 176.91 177.24 1xp0 h PHE 626 N 0.44 0.20 -0.90 1.39 3.57 -0.37 -0.70 116.94 120.57 1xp0 h PHE 626 Ca 0.12 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.61 1xp0 h PHE 626 Cb -0.05 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 38.59 1xp0 h PHE 626 CO -0.05 0.11 0.50 0.00 -2.23 0.00 0.00 178.31 176.63 1xp0 h ALA 627 N 1.12 1.16 -0.49 2.41 0.00 -0.62 -0.43 119.26 122.41 1xp0 h ALA 627 Ca 0.09 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 1xp0 h ALA 627 Cb 0.03 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 1xp0 h ALA 627 CO -0.07 0.66 -0.07 0.00 0.00 0.00 0.00 179.25 179.77 1xp0 h ALA 628 N 1.27 0.67 -0.62 0.00 0.00 -0.58 0.18 119.26 120.19 1xp0 h ALA 628 Ca 0.32 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1xp0 h ALA 628 Cb 0.03 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1xp0 h ALA 628 CO -0.05 0.55 0.05 -0.07 0.00 0.00 0.00 179.25 179.73 1xp0 h LEU 629 N 0.78 1.02 0.00 0.00 3.38 -0.80 -2.08 115.31 117.61 1xp0 h LEU 629 Ca 0.13 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1xp0 h LEU 629 Cb 0.62 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1xp0 h LEU 629 CO 0.04 1.05 0.00 0.29 0.09 0.00 0.00 178.44 179.91 1xp0 n LYS 630 N -4.23 0.00 -0.26 1.13 4.76 -0.20 -1.32 118.16 118.04 1xp0 n LYS 630 Ca 0.03 0.15 -0.02 0.00 -2.87 0.00 0.00 58.31 55.60 1xp0 n LYS 630 Cb 0.31 -0.57 0.17 0.00 -1.84 0.00 0.00 35.03 33.10 1xp0 n LYS 630 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1xp0 h ALA 631 N -2.00 1.29 -0.00 7.82 0.00 -0.93 -2.63 119.26 122.80 1xp0 h ALA 631 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1xp0 h ALA 631 Cb 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.47 1xp0 h ALA 631 CO 0.00 0.58 -0.07 0.41 0.00 0.00 0.00 179.25 180.17 1xp0 n GLY 632 N -1.20 -0.96 2.58 0.00 0.00 -0.24 -4.78 105.19 100.59 1xp0 n GLY 632 Ca 0.08 -0.25 -0.21 0.00 0.00 0.00 0.00 46.02 45.65 1xp0 n GLY 632 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xp0 n LYS 633 N -0.96 -2.58 0.20 1.61 5.02 -0.93 -4.41 118.16 116.11 1xp0 n LYS 633 Ca 0.16 0.96 0.11 0.00 -2.02 0.00 0.00 58.31 57.52 1xp0 n LYS 633 Cb 0.25 -5.68 0.14 0.00 -0.02 0.00 0.00 35.03 29.72 1xp0 n LYS 633 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1xp0 h ILE 634 N -0.38 0.12 -0.63 -0.18 1.08 -0.84 -3.34 117.51 113.34 1xp0 h ILE 634 Ca -0.50 -1.17 0.07 0.00 -0.39 0.00 0.00 64.86 62.87 1xp0 h ILE 634 Cb 1.36 2.03 -0.04 0.00 -3.07 0.00 0.00 36.82 37.10 1xp0 h ILE 634 CO 0.57 0.07 0.42 0.06 -0.69 0.00 0.00 178.15 178.58 1xp0 h GLN 635 N 0.00 0.57 0.00 2.37 3.07 -1.44 -1.72 115.11 117.95 1xp0 h GLN 635 Ca -0.00 -0.03 0.00 0.00 0.09 0.00 0.00 58.65 58.70 1xp0 h GLN 635 Cb 1.06 -0.13 0.00 0.00 0.08 0.00 0.00 27.48 28.49 1xp0 h GLN 635 CO 0.01 0.38 0.00 -0.91 0.09 0.00 0.00 178.83 178.40 1xp0 h ASN 636 N 0.59 0.00 0.01 0.06 -0.26 -1.83 -2.88 115.58 111.27 1xp0 h ASN 636 Ca 0.28 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.02 1xp0 h ASN 636 Cb 0.33 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.59 1xp0 h ASN 636 CO -0.09 0.00 -0.54 0.29 -1.06 0.00 0.00 177.43 176.03 1xp0 n LYS 637 N -2.49 1.00 -4.52 0.81 5.02 -0.65 -4.99 118.16 112.34 1xp0 n LYS 637 Ca -0.00 -0.82 -0.25 0.00 -2.02 0.00 0.00 58.31 55.22 1xp0 n LYS 637 Cb 0.15 -1.48 -0.10 0.00 -0.02 0.00 0.00 35.03 33.57 1xp0 n LYS 637 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1xp0 s LEU 638 N -2.56 2.69 0.57 -0.35 1.43 -1.09 -5.06 118.68 114.30 1xp0 s LEU 638 Ca 0.17 -1.15 -0.04 0.00 -1.03 0.00 0.00 54.13 52.08 1xp0 s LEU 638 Cb 0.18 -1.03 0.01 0.00 0.03 0.00 0.00 46.19 45.38 1xp0 s LEU 638 CO 0.61 -0.14 0.85 0.42 0.23 0.00 0.00 176.35 178.33 1xp0 s THR 639 N -2.59 3.57 0.27 5.49 -4.23 -1.26 -4.94 115.64 111.95 1xp0 s THR 639 Ca 0.32 -0.16 -0.03 0.00 -1.18 0.00 0.00 61.69 60.63 1xp0 s THR 639 Cb 0.00 -3.40 0.17 0.00 1.34 0.00 0.00 72.50 70.62 1xp0 s THR 639 CO 0.16 -0.37 1.83 0.44 -0.54 0.00 0.00 174.62 176.14 1xp0 h ASP 640 N -0.07 0.89 -0.71 3.99 3.32 -1.98 -1.44 116.42 120.41 1xp0 h ASP 640 Ca -0.45 -0.13 -0.07 0.00 0.02 0.00 0.00 57.03 56.40 1xp0 h ASP 640 Cb 1.26 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 40.55 1xp0 h ASP 640 CO 0.59 0.81 0.18 -0.07 -1.72 0.00 0.00 179.24 179.03 1xp0 h LEU 641 N 0.94 1.07 -0.46 1.55 3.38 -1.99 -0.16 115.31 119.64 1xp0 h LEU 641 Ca 0.22 -0.22 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 1xp0 h LEU 641 Cb 0.22 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1xp0 h LEU 641 CO -0.02 1.02 0.04 -0.33 0.09 0.00 0.00 178.44 179.24 1xp0 h GLU 642 N 1.07 0.79 -0.61 1.13 5.08 -1.85 -1.23 114.58 118.96 1xp0 h GLU 642 Ca 0.22 -0.23 -0.06 0.00 -1.00 0.00 0.00 59.36 58.29 1xp0 h GLU 642 Cb 0.36 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 1xp0 h GLU 642 CO 0.00 0.83 0.14 0.82 -1.00 0.00 0.00 179.01 179.80 1xp0 h ILE 643 N 0.65 1.25 -0.29 3.13 2.04 -1.00 -0.31 117.51 122.99 1xp0 h ILE 643 Ca 0.14 -0.93 0.00 0.00 1.00 0.00 0.00 64.86 65.07 1xp0 h ILE 643 Cb 0.44 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 37.19 1xp0 h ILE 643 CO 0.02 0.35 0.18 0.25 0.00 0.00 0.00 178.15 178.95 1xp0 h LEU 644 N 0.90 0.34 -0.78 1.44 5.85 -0.95 -1.42 115.31 120.69 1xp0 h LEU 644 Ca 0.19 -0.03 -0.08 0.00 0.84 0.00 0.00 57.88 58.80 1xp0 h LEU 644 Cb 0.37 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 1xp0 h LEU 644 CO 0.00 0.27 0.04 0.00 -0.34 0.00 0.00 178.44 178.41 1xp0 h ALA 645 N 1.08 0.99 -0.37 1.25 0.00 -0.90 -2.13 119.26 119.18 1xp0 h ALA 645 Ca 0.11 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 54.64 1xp0 h ALA 645 Cb -0.02 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1xp0 h ALA 645 CO -0.02 0.63 -0.15 -0.07 0.00 0.00 0.00 179.25 179.64 1xp0 h LEU 646 N 0.90 0.77 -0.33 0.00 3.38 -0.80 0.15 115.31 119.38 1xp0 h LEU 646 Ca 0.17 -0.39 -0.06 0.00 0.09 0.00 0.00 57.88 57.69 1xp0 h LEU 646 Cb 0.47 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1xp0 h LEU 646 CO 0.02 0.99 -0.03 0.25 0.09 0.00 0.00 178.44 179.75 1xp0 h LEU 647 N 0.55 0.60 -0.33 1.67 5.85 -1.21 0.15 115.31 122.60 1xp0 h LEU 647 Ca 0.09 -0.33 -0.02 0.00 0.84 0.00 0.00 57.88 58.46 1xp0 h LEU 647 Cb 0.68 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.53 1xp0 h LEU 647 CO 0.05 0.79 0.14 0.40 -0.34 0.00 0.00 178.44 179.49 1xp0 h ILE 648 N 0.40 1.17 -0.44 4.05 2.04 -1.28 -2.23 117.51 121.22 1xp0 h ILE 648 Ca 0.09 -0.51 0.00 0.00 1.00 0.00 0.00 64.86 65.44 1xp0 h ILE 648 Cb 0.51 0.90 -0.02 0.00 -0.74 0.00 0.00 36.82 37.47 1xp0 h ILE 648 CO 0.02 0.18 0.29 0.00 0.00 0.00 0.00 178.15 178.65 1xp0 h ALA 649 N 0.99 0.56 -0.41 1.87 0.00 -0.59 -0.69 119.26 121.01 1xp0 h ALA 649 Ca 0.11 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.02 1xp0 h ALA 649 Cb 0.15 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1xp0 h ALA 649 CO -0.01 0.01 0.20 0.00 0.00 0.00 0.00 179.25 179.45 1xp0 h ALA 650 N 1.16 0.50 -0.03 0.00 0.00 -0.50 0.17 119.26 120.57 1xp0 h ALA 650 Ca 0.16 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 1xp0 h ALA 650 Cb -0.07 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1xp0 h ALA 650 CO -0.04 -0.16 -0.37 -0.07 0.00 0.00 0.00 179.25 178.62 1xp0 h LEU 651 N 0.41 0.06 -1.16 0.00 3.38 -1.17 -3.27 115.31 113.57 1xp0 h LEU 651 Ca 0.17 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1xp0 h LEU 651 Cb 0.08 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1xp0 h LEU 651 CO -0.12 0.43 -0.39 -1.20 0.09 0.00 0.00 178.44 177.25 1xp0 n SER 652 N -4.09 2.20 0.27 -0.43 7.64 -0.28 -4.71 113.62 114.22 1xp0 n SER 652 Ca -0.02 -1.60 0.18 0.00 1.01 0.00 0.00 58.87 58.44 1xp0 n SER 652 Cb 0.42 0.39 0.77 0.00 -1.01 0.00 0.00 64.21 64.77 1xp0 n SER 652 CO 0.00 0.00 0.00 1.12 -3.01 0.00 0.00 175.04 173.15 1xp0 h HIS 653 N 2.83 0.00 0.00 1.43 2.07 -0.73 -2.74 115.15 118.00 1xp0 h HIS 653 Ca 0.00 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1xp0 h HIS 653 Cb 0.80 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.78 1xp0 h HIS 653 CO 0.00 0.00 -0.09 -0.25 -3.07 0.00 0.00 177.93 174.52 1xp0 n ASP 654 N -2.96 2.13 -4.62 3.10 8.00 -1.26 -4.83 116.55 116.11 1xp0 n ASP 654 Ca 0.00 -3.11 -0.53 0.00 0.71 0.00 0.00 54.79 51.86 1xp0 n ASP 654 Cb 0.24 -0.43 -0.06 0.00 -0.02 0.00 0.00 41.12 40.85 1xp0 n ASP 654 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1xp0 n LEU 655 N -1.31 1.86 -2.58 0.64 7.99 -1.04 -1.82 117.00 120.75 1xp0 n LEU 655 Ca 0.15 1.11 -0.21 0.00 -0.01 0.00 0.00 56.01 57.05 1xp0 n LEU 655 Cb 0.65 -1.19 0.00 0.00 -0.11 0.00 0.00 43.42 42.78 1xp0 n LEU 655 CO 0.00 -0.89 -0.19 -0.67 -1.51 0.00 0.00 177.39 174.14 1xp0 n ASP 656 N 3.18 -6.02 -4.70 -1.43 2.03 0.05 -4.39 116.55 105.27 1xp0 n ASP 656 Ca 0.20 -0.10 -0.42 0.00 0.52 0.00 0.00 54.79 54.99 1xp0 n ASP 656 Cb 0.18 -4.96 -0.03 0.00 -0.72 0.00 0.00 41.12 35.59 1xp0 n ASP 656 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 1xp0 s HIS 657 N -3.09 2.48 -1.33 -0.67 5.65 -0.76 -4.90 115.29 112.68 1xp0 s HIS 657 Ca 0.09 0.27 0.30 0.00 0.25 0.00 0.00 55.06 55.96 1xp0 s HIS 657 Cb -0.04 -4.04 1.37 0.00 -1.18 0.00 0.00 32.58 28.69 1xp0 s HIS 657 CO 0.11 -4.13 1.97 -0.35 -0.65 0.00 0.00 174.74 171.70 1xp0 n PRO 658 N 5.25 0.33 -0.58 2.88 -0.04 -1.26 -4.59 135.00 136.98 1xp0 n PRO 658 Ca 0.16 -0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 1xp0 n PRO 658 Cb 0.39 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.35 1xp0 n PRO 658 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1xp0 n GLY 659 N 1.35 0.67 3.21 0.55 0.00 -1.26 -4.97 105.19 104.74 1xp0 n GLY 659 Ca 0.12 -0.34 -0.15 0.00 0.00 0.00 0.00 46.02 45.65 1xp0 n GLY 659 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1xp0 s VAL 660 N -2.00 1.07 0.84 1.61 -7.23 -1.26 -4.64 120.40 108.78 1xp0 s VAL 660 Ca 0.00 -1.75 -0.12 0.00 -1.81 0.00 0.00 61.98 58.30 1xp0 s VAL 660 Cb 0.00 -1.51 0.09 0.00 0.56 0.00 0.00 36.38 35.53 1xp0 s VAL 660 CO 0.00 -0.58 1.13 -0.94 -0.31 0.00 0.00 175.10 174.40 1xp0 s SER 661 N -2.62 4.19 0.22 4.85 1.04 -1.26 -4.89 113.70 115.23 1xp0 s SER 661 Ca 0.09 1.07 -0.09 0.00 0.48 0.00 0.00 55.95 57.50 1xp0 s SER 661 Cb -0.02 -1.70 0.19 0.00 0.10 0.00 0.00 66.02 64.58 1xp0 s SER 661 CO 0.01 -2.13 1.87 0.78 0.98 0.00 0.00 173.24 174.74 1xp0 h ASN 662 N -1.21 1.00 -0.24 7.02 2.35 -2.01 -1.99 115.58 120.50 1xp0 h ASN 662 Ca -0.48 -0.06 -0.09 0.00 -0.55 0.00 0.00 56.30 55.11 1xp0 h ASN 662 Cb 1.30 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 39.40 1xp0 h ASN 662 CO 0.62 0.77 -0.16 -0.61 -1.65 0.00 0.00 177.43 176.39 1xp0 h GLN 663 N 1.15 0.67 -0.75 0.81 5.75 -1.98 -1.76 115.11 119.01 1xp0 h GLN 663 Ca 0.30 -0.23 -0.01 0.00 -0.15 0.00 0.00 58.65 58.56 1xp0 h GLN 663 Cb -0.06 -0.05 -0.04 0.00 1.07 0.00 0.00 27.48 28.40 1xp0 h GLN 663 CO -0.06 0.80 0.42 0.35 -2.65 0.00 0.00 178.83 177.70 1xp0 h PHE 664 N 0.60 1.01 -0.64 3.99 3.04 -1.86 -0.03 116.94 123.05 1xp0 h PHE 664 Ca 0.10 -0.02 -0.07 0.00 3.98 0.00 0.00 57.97 61.96 1xp0 h PHE 664 Cb 0.62 -0.33 -0.03 0.00 2.56 0.00 0.00 35.95 38.78 1xp0 h PHE 664 CO 0.03 0.70 0.14 -0.07 -2.02 0.00 0.00 178.31 177.09 1xp0 h LEU 665 N 1.03 0.97 -0.06 0.59 3.38 -0.95 -2.20 115.31 118.07 1xp0 h LEU 665 Ca 0.26 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1xp0 h LEU 665 Cb 0.02 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.51 1xp0 h LEU 665 CO -0.04 0.95 -0.05 0.40 0.09 0.00 0.00 178.44 179.79 1xp0 h ILE 666 N 0.98 1.36 0.00 1.22 2.04 -1.06 -1.18 117.51 120.86 1xp0 h ILE 666 Ca 0.20 -1.15 -0.01 0.00 1.00 0.00 0.00 64.86 64.90 1xp0 h ILE 666 Cb 0.37 2.00 -0.00 0.00 -0.74 0.00 0.00 36.82 38.45 1xp0 h ILE 666 CO 0.00 0.32 -0.07 0.78 0.00 0.00 0.00 178.15 179.18 1xp0 h ASN 667 N -0.29 0.00 -0.62 1.72 2.35 -0.97 -2.19 115.58 115.58 1xp0 h ASN 667 Ca 0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 1xp0 h ASN 667 Cb 0.53 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.90 1xp0 h ASN 667 CO 0.01 0.07 0.00 0.35 -1.65 0.00 0.00 177.43 176.21 1xp0 n THR 668 N -3.31 0.84 -4.09 2.81 -2.24 -0.83 -4.96 114.28 102.50 1xp0 n THR 668 Ca -0.01 -0.92 -0.34 0.00 -2.27 0.00 0.00 64.05 60.51 1xp0 n THR 668 Cb 0.26 0.66 -0.00 0.00 -2.10 0.00 0.00 70.33 69.14 1xp0 n THR 668 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1xp0 n ASN 669 N 1.60 -3.99 -4.67 3.42 3.02 -0.82 -4.92 115.26 108.90 1xp0 n ASN 669 Ca 0.23 -0.91 -0.36 0.00 -0.03 0.00 0.00 54.58 53.50 1xp0 n ASN 669 Cb 0.62 -3.25 0.08 0.00 -0.61 0.00 0.00 39.78 36.62 1xp0 n ASN 669 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1xp0 n SER 670 N -2.73 1.22 0.10 6.41 3.41 -0.46 -4.80 113.62 116.77 1xp0 n SER 670 Ca 0.06 0.74 0.09 0.00 -0.26 0.00 0.00 58.87 59.51 1xp0 n SER 670 Cb 0.50 -1.47 0.57 0.00 -0.26 0.00 0.00 64.21 63.55 1xp0 n SER 670 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1xp0 h GLU 671 N 0.10 0.20 -0.45 4.33 5.08 -1.91 -1.79 114.58 120.14 1xp0 h GLU 671 Ca -0.49 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 57.80 1xp0 h GLU 671 Cb 1.34 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.53 1xp0 h GLU 671 CO 0.50 0.13 0.05 -0.07 -1.00 0.00 0.00 179.01 178.62 1xp0 h LEU 672 N 0.20 0.74 -0.65 1.33 4.07 -1.92 -0.16 115.31 118.92 1xp0 h LEU 672 Ca 0.12 -0.28 -0.10 0.00 0.08 0.00 0.00 57.88 57.71 1xp0 h LEU 672 Cb 0.22 -0.20 -0.02 0.00 1.08 0.00 0.00 40.66 41.74 1xp0 h LEU 672 CO -0.02 0.83 -0.02 0.00 -1.08 0.00 0.00 178.44 178.15 1xp0 h ALA 673 N 0.94 0.86 -0.51 1.53 0.00 -1.60 -1.68 119.26 118.79 1xp0 h ALA 673 Ca 0.13 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 1xp0 h ALA 673 Cb 0.42 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1xp0 h ALA 673 CO 0.01 0.66 0.04 -0.07 0.00 0.00 0.00 179.25 179.89 1xp0 h LEU 674 N 0.94 0.86 -0.58 0.00 3.38 -1.29 -1.15 115.31 117.47 1xp0 h LEU 674 Ca 0.16 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 1xp0 h LEU 674 Cb 0.57 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 1xp0 h LEU 674 CO 0.03 0.93 0.34 -0.03 0.09 0.00 0.00 178.44 179.81 1xp0 h MET 675 N 0.75 0.79 -0.46 1.13 4.05 -0.71 -3.12 114.93 117.36 1xp0 h MET 675 Ca 0.15 -0.08 0.00 0.00 -0.28 0.00 0.00 59.70 59.49 1xp0 h MET 675 Cb 0.47 -0.16 0.00 0.00 -0.80 0.00 0.00 31.60 31.11 1xp0 h MET 675 CO 0.02 0.57 0.00 0.66 0.23 0.00 0.00 176.91 178.39 1xp0 n TYR 676 N -4.63 1.49 -4.02 1.39 4.02 -0.66 -4.97 117.16 109.78 1xp0 n TYR 676 Ca 0.04 -0.75 -0.32 0.00 -0.01 0.00 0.00 57.90 56.85 1xp0 n TYR 676 Cb 0.06 -0.37 0.01 0.00 -0.02 0.00 0.00 39.34 39.02 1xp0 n TYR 676 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 1xp0 n ASN 676 N 0.30 -4.28 0.00 7.72 5.03 -0.57 -1.86 115.26 121.60 1xp0 n ASN 676 Ca 0.24 -0.86 0.00 0.00 0.87 0.00 0.00 54.58 54.83 1xp0 n ASN 676 Cb 1.00 -3.50 0.00 0.00 -1.02 0.00 0.00 39.78 36.26 1xp0 n ASN 676 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 1xp0 n ASP 677 N -2.77 -3.19 -4.65 6.41 8.00 -0.54 -4.98 116.55 114.83 1xp0 n ASP 677 Ca 0.05 0.00 -0.37 0.00 0.71 0.00 0.00 54.79 55.18 1xp0 n ASP 677 Cb 0.51 -2.28 -0.09 0.00 -0.02 0.00 0.00 41.12 39.24 1xp0 n ASP 677 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1xp0 s GLU 678 N -1.14 4.06 -0.53 -1.24 2.02 -0.77 -4.54 118.70 116.55 1xp0 s GLU 678 Ca 0.00 -0.16 -0.16 0.00 0.02 0.00 0.00 54.97 54.67 1xp0 s GLU 678 Cb 0.00 -3.57 0.02 0.00 0.10 0.00 0.00 34.13 30.68 1xp0 s GLU 678 CO 0.00 -0.03 0.30 0.43 0.02 0.00 0.00 175.26 175.98 1xp0 n SER 679 N 4.55 -1.80 0.30 -0.19 7.64 -1.26 -4.75 113.62 118.11 1xp0 n SER 679 Ca -0.13 -0.58 -0.17 0.00 1.01 0.00 0.00 58.87 59.00 1xp0 n SER 679 Cb 0.52 -0.69 -0.08 0.00 -1.01 0.00 0.00 64.21 62.94 1xp0 n SER 679 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1xp0 h VAL 680 N 0.57 0.34 -0.55 0.44 2.07 -1.89 -0.42 116.25 116.82 1xp0 h VAL 680 Ca -0.32 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.24 1xp0 h VAL 680 Cb 0.62 0.34 -0.04 0.00 -1.52 0.00 0.00 31.29 30.69 1xp0 h VAL 680 CO 0.23 0.00 0.30 -0.07 0.02 0.00 0.00 177.57 178.05 1xp0 h LEU 681 N -0.80 0.46 -0.72 2.57 4.07 -1.93 -1.88 115.31 117.07 1xp0 h LEU 681 Ca -0.06 0.02 -0.12 0.00 0.08 0.00 0.00 57.88 57.80 1xp0 h LEU 681 Cb 0.65 -0.07 -0.01 0.00 1.08 0.00 0.00 40.66 42.31 1xp0 h LEU 681 CO 0.07 0.32 -0.27 -0.33 -1.08 0.00 0.00 178.44 177.14 1xp0 h GLU 682 N 0.59 0.68 -0.59 1.13 3.07 -1.84 0.15 114.58 117.77 1xp0 h GLU 682 Ca 0.24 -0.29 -0.08 0.00 -0.50 0.00 0.00 59.36 58.72 1xp0 h GLU 682 Cb 0.10 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 27.97 1xp0 h GLU 682 CO -0.14 0.88 0.03 0.45 -1.40 0.00 0.00 179.01 178.83 1xp0 h HIS 683 N 0.59 1.08 -0.61 4.33 3.86 -0.87 -1.23 115.15 122.29 1xp0 h HIS 683 Ca 0.07 -0.16 -0.04 0.00 -1.16 0.00 0.00 60.37 59.08 1xp0 h HIS 683 Cb 0.77 -0.29 -0.03 0.00 1.06 0.00 0.00 27.41 28.92 1xp0 h HIS 683 CO 0.04 0.94 0.24 1.25 0.86 0.00 0.00 177.93 181.25 1xp0 h HIS 684 N 0.93 0.93 -0.58 2.45 -0.00 -0.69 -0.38 115.15 117.81 1xp0 h HIS 684 Ca 0.17 -0.07 -0.04 0.00 -0.00 0.00 0.00 60.37 60.43 1xp0 h HIS 684 Cb 0.49 -0.28 -0.02 0.00 -0.00 0.00 0.00 27.41 27.60 1xp0 h HIS 684 CO 0.03 0.75 0.21 0.45 -0.00 0.00 0.00 177.93 179.37 1xp0 h HIS 685 N 0.85 0.91 -0.53 5.26 3.86 -0.39 -0.98 115.15 124.13 1xp0 h HIS 685 Ca 0.20 -0.08 -0.11 0.00 -1.16 0.00 0.00 60.37 59.23 1xp0 h HIS 685 Cb 0.21 -0.27 -0.02 0.00 1.06 0.00 0.00 27.41 28.40 1xp0 h HIS 685 CO 0.01 0.74 -0.08 0.35 0.86 0.00 0.00 177.93 179.81 1xp0 h PHE 686 N 0.81 1.11 -0.74 2.45 3.57 -1.01 -0.79 116.94 122.33 1xp0 h PHE 686 Ca 0.19 -0.22 -0.01 0.00 3.53 0.00 0.00 57.97 61.45 1xp0 h PHE 686 Cb 0.24 -0.28 -0.03 0.00 2.79 0.00 0.00 35.95 38.67 1xp0 h PHE 686 CO 0.01 1.03 0.41 -0.44 -2.23 0.00 0.00 178.31 177.09 1xp0 h ASP 687 N 0.87 0.93 -0.57 0.41 3.32 -0.88 0.20 116.42 120.70 1xp0 h ASP 687 Ca 0.14 -0.10 -0.05 0.00 0.02 0.00 0.00 57.03 57.05 1xp0 h ASP 687 Cb 0.64 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.93 1xp0 h ASP 687 CO 0.04 0.76 0.19 1.56 -1.72 0.00 0.00 179.24 180.07 1xp0 h GLN 688 N 1.03 0.92 0.51 3.56 1.08 -0.97 -1.75 115.11 119.49 1xp0 h GLN 688 Ca 0.26 -0.18 -0.03 0.00 -1.45 0.00 0.00 58.65 57.26 1xp0 h GLN 688 Cb 0.04 -0.14 0.01 0.00 -0.05 0.00 0.00 27.48 27.33 1xp0 h GLN 688 CO -0.04 0.79 -0.25 0.00 -0.95 0.00 0.00 178.83 178.38 1xp0 h LEU 690 N -0.71 0.84 -0.74 0.00 6.46 -0.87 -1.07 115.31 119.22 1xp0 h LEU 690 Ca -0.07 0.04 -0.07 0.00 -0.12 0.00 0.00 57.88 57.65 1xp0 h LEU 690 Cb 0.54 -0.14 -0.03 0.00 -0.73 0.00 0.00 40.66 40.31 1xp0 h LEU 690 CO 0.12 0.47 0.16 -0.03 -0.62 0.00 0.00 178.44 178.53 1xp0 h MET 691 N 0.91 1.11 -0.10 1.25 4.05 -1.18 -0.94 114.93 120.04 1xp0 h MET 691 Ca 0.45 -0.27 -0.05 0.00 -0.28 0.00 0.00 59.70 59.56 1xp0 h MET 691 Cb 0.48 -0.15 -0.00 0.00 -0.80 0.00 0.00 31.60 31.14 1xp0 h MET 691 CO -0.22 0.99 -0.12 0.82 0.23 0.00 0.00 176.91 178.60 1xp0 h ILE 692 N 1.05 1.37 -0.46 1.77 2.04 -0.81 -2.78 117.51 119.70 1xp0 h ILE 692 Ca 0.22 -1.33 0.02 0.00 1.00 0.00 0.00 64.86 64.77 1xp0 h ILE 692 Cb 0.38 2.02 -0.02 0.00 -0.74 0.00 0.00 36.82 38.46 1xp0 h ILE 692 CO 0.00 0.38 0.30 -0.07 0.00 0.00 0.00 178.15 178.77 1xp0 h LEU 693 N -0.16 0.47 -0.67 1.44 3.38 -1.04 -2.45 115.31 116.27 1xp0 h LEU 693 Ca 0.01 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xp0 h LEU 693 Cb 0.66 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1xp0 h LEU 693 CO 0.03 0.33 -0.22 0.59 0.09 0.00 0.00 178.44 179.26 1xp0 n ASN 694 N -4.47 1.26 -4.79 -0.43 3.02 -0.37 -3.97 115.26 105.50 1xp0 n ASN 694 Ca 0.05 -1.09 -0.38 0.00 -0.03 0.00 0.00 54.58 53.12 1xp0 n ASN 694 Cb 0.12 0.14 -0.06 0.00 -0.61 0.00 0.00 39.78 39.36 1xp0 n ASN 694 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1xp0 s SER 695 N -2.39 7.27 0.03 6.41 1.04 -0.92 -4.97 113.70 120.16 1xp0 s SER 695 Ca 0.26 1.59 -0.38 0.00 0.48 0.00 0.00 55.95 57.90 1xp0 s SER 695 Cb 0.19 -2.48 -0.17 0.00 0.10 0.00 0.00 66.02 63.66 1xp0 s SER 695 CO 0.48 0.12 1.31 -2.65 0.98 0.00 0.00 173.24 173.48 1xp0 n PRO 696 N 1.16 0.88 -0.81 4.02 -0.02 -1.26 -1.84 135.00 137.13 1xp0 n PRO 696 Ca -0.04 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 1xp0 n PRO 696 Cb 0.50 -1.93 0.00 0.00 -0.02 0.00 0.00 33.50 32.05 1xp0 n PRO 696 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xp0 n GLY 697 N 2.44 1.23 0.24 -1.23 0.00 -1.26 -4.84 105.19 101.78 1xp0 n GLY 697 Ca 0.19 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.24 1xp0 n GLY 697 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xp0 n ASN 698 N 0.00 2.35 -4.19 1.61 4.13 -0.77 -4.48 115.26 113.92 1xp0 n ASN 698 Ca 0.00 -2.02 -0.42 0.00 1.68 0.00 0.00 54.58 53.82 1xp0 n ASN 698 Cb 0.00 -0.09 -0.01 0.00 -1.54 0.00 0.00 39.78 38.14 1xp0 n ASN 698 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1xp0 n GLN 699 N -0.15 2.89 0.10 3.52 6.02 -1.25 -4.62 117.38 123.90 1xp0 n GLN 699 Ca 0.04 -2.89 0.10 0.00 -0.01 0.00 0.00 57.00 54.24 1xp0 n GLN 699 Cb 0.32 -3.40 0.44 0.00 1.02 0.00 0.00 30.24 28.63 1xp0 n GLN 699 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.06 176.49 1xp0 n ILE 700 N 5.92 0.99 -0.49 5.09 -5.35 -1.26 -2.17 119.36 122.09 1xp0 n ILE 700 Ca 0.50 0.35 0.10 0.00 -0.27 0.00 0.00 62.75 63.43 1xp0 n ILE 700 Cb 0.43 -1.27 0.35 0.00 -1.74 0.00 0.00 39.64 37.40 1xp0 n ILE 700 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 1xp0 n LEU 701 N -2.05 4.49 0.27 7.28 4.77 -1.26 -4.53 117.00 125.97 1xp0 n LEU 701 Ca 0.01 -2.26 0.13 0.00 -0.03 0.00 0.00 56.01 53.87 1xp0 n LEU 701 Cb 0.16 -0.55 0.77 0.00 -2.33 0.00 0.00 43.42 41.47 1xp0 n LEU 701 CO 0.15 0.84 1.01 0.77 -1.33 0.00 0.00 177.39 178.83 1xp0 h SER 702 N 4.09 0.00 0.71 -1.43 4.64 -1.78 -2.11 113.55 117.67 1xp0 h SER 702 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xp0 h SER 702 Cb 1.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 1xp0 h SER 702 CO 0.17 0.09 0.00 0.61 -0.87 0.00 0.00 176.83 176.83 1xp0 n GLY 703 N -0.82 -1.35 3.84 -0.77 0.00 -1.26 -4.87 105.19 99.96 1xp0 n GLY 703 Ca -0.02 -0.13 -0.32 0.00 0.00 0.00 0.00 46.02 45.55 1xp0 n GLY 703 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xp0 s LEU 704 N -2.71 3.68 0.92 0.99 1.43 -0.80 -4.86 118.68 117.32 1xp0 s LEU 704 Ca 0.24 1.55 -0.12 0.00 -1.03 0.00 0.00 54.13 54.77 1xp0 s LEU 704 Cb 0.20 -4.48 0.14 0.00 0.03 0.00 0.00 46.19 42.08 1xp0 s LEU 704 CO 0.48 -0.54 1.13 -0.94 0.23 0.00 0.00 176.35 176.71 1xp0 s SER 705 N -2.96 3.45 0.17 2.29 1.04 -1.26 -4.78 113.70 111.64 1xp0 s SER 705 Ca 0.59 1.00 -0.11 0.00 0.48 0.00 0.00 55.95 57.90 1xp0 s SER 705 Cb -0.10 -1.59 0.07 0.00 0.10 0.00 0.00 66.02 64.50 1xp0 s SER 705 CO 0.29 -2.59 1.69 0.40 0.98 0.00 0.00 173.24 174.01 1xp0 h ILE 706 N -1.53 1.24 -0.75 -1.02 1.08 -1.97 0.72 117.51 115.28 1xp0 h ILE 706 Ca -0.51 -0.84 -0.04 0.00 -0.39 0.00 0.00 64.86 63.08 1xp0 h ILE 706 Cb 1.33 0.67 -0.03 0.00 -3.07 0.00 0.00 36.82 35.72 1xp0 h ILE 706 CO 0.61 0.32 0.33 1.05 -0.69 0.00 0.00 178.15 179.77 1xp0 h GLU 707 N 0.84 1.10 -0.39 2.37 4.11 -2.00 -0.57 114.58 120.04 1xp0 h GLU 707 Ca 0.19 -0.17 -0.06 0.00 0.07 0.00 0.00 59.36 59.39 1xp0 h GLU 707 Cb 0.30 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1xp0 h GLU 707 CO -0.00 0.87 0.02 0.93 0.07 0.00 0.00 179.01 180.89 1xp0 h GLU 708 N 1.08 0.67 -0.32 1.06 5.08 -1.84 -2.04 114.58 118.28 1xp0 h GLU 708 Ca 0.26 -0.21 0.01 0.00 -1.00 0.00 0.00 59.36 58.42 1xp0 h GLU 708 Cb 0.16 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 1xp0 h GLU 708 CO -0.03 0.76 0.21 -0.92 -1.00 0.00 0.00 179.01 178.03 1xp0 h TYR 709 N 0.50 0.39 -0.62 4.33 3.20 -0.38 -0.10 116.97 124.30 1xp0 h TYR 709 Ca 0.11 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.98 1xp0 h TYR 709 Cb 0.44 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.55 1xp0 h TYR 709 CO 0.03 0.24 0.32 0.87 -1.64 0.00 0.00 178.16 177.99 1xp0 h LYS 710 N 0.42 0.87 -0.05 1.82 1.57 -1.03 -1.00 116.57 119.17 1xp0 h LYS 710 Ca 0.12 -0.11 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1xp0 h LYS 710 Cb -0.04 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.10 1xp0 h LYS 710 CO -0.03 0.68 0.03 1.15 -0.57 0.00 0.00 179.45 180.71 1xp0 h THR 711 N 0.84 1.06 -0.49 -0.16 2.02 -1.16 -2.17 112.91 112.85 1xp0 h THR 711 Ca 0.22 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.22 1xp0 h THR 711 Cb 0.08 1.08 -0.02 0.00 -1.74 0.00 0.00 68.15 67.54 1xp0 h THR 711 CO -0.03 0.05 0.32 0.74 0.37 0.00 0.00 175.52 176.97 1xp0 h THR 712 N 0.01 1.13 -0.80 3.16 2.02 -0.73 -2.06 112.91 115.65 1xp0 h THR 712 Ca 0.02 -0.24 -0.00 0.00 0.77 0.00 0.00 66.41 66.96 1xp0 h THR 712 Cb 0.06 0.41 -0.04 0.00 -1.74 0.00 0.00 68.15 66.84 1xp0 h THR 712 CO -0.00 0.12 0.48 -0.07 0.37 0.00 0.00 175.52 176.42 1xp0 h LEU 713 N 0.67 0.96 -0.52 2.58 3.38 -1.12 -0.67 115.31 120.59 1xp0 h LEU 713 Ca 0.18 -0.07 0.02 0.00 0.09 0.00 0.00 57.88 58.11 1xp0 h LEU 713 Cb -0.07 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.40 1xp0 h LEU 713 CO -0.04 0.74 0.31 0.50 0.09 0.00 0.00 178.44 180.05 1xp0 h LYS 714 N 1.09 0.60 -0.54 1.13 3.64 -0.98 -1.47 116.57 120.05 1xp0 h LYS 714 Ca 0.29 -0.04 -0.12 0.00 -1.27 0.00 0.00 60.65 59.51 1xp0 h LYS 714 Cb -0.04 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.63 1xp0 h LYS 714 CO -0.05 0.40 -0.11 0.82 -2.27 0.00 0.00 179.45 178.23 1xp0 h ILE 715 N 0.62 1.27 -0.56 2.00 2.04 -1.04 -2.16 117.51 119.67 1xp0 h ILE 715 Ca 0.21 -1.27 -0.02 0.00 1.00 0.00 0.00 64.86 64.78 1xp0 h ILE 715 Cb 0.02 0.97 -0.03 0.00 -0.74 0.00 0.00 36.82 37.04 1xp0 h ILE 715 CO -0.09 0.45 0.27 0.40 0.00 0.00 0.00 178.15 179.18 1xp0 h ILE 716 N 0.91 1.20 -0.24 -0.67 2.04 -0.84 0.88 117.51 120.79 1xp0 h ILE 716 Ca 0.14 -0.56 -0.01 0.00 1.00 0.00 0.00 64.86 65.43 1xp0 h ILE 716 Cb 0.68 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 1xp0 h ILE 716 CO 0.05 0.23 0.11 0.50 0.00 0.00 0.00 178.15 179.04 1xp0 h LYS 717 N 0.76 0.35 -0.71 2.37 3.64 -1.20 0.96 116.57 122.73 1xp0 h LYS 717 Ca 0.19 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.47 1xp0 h LYS 717 Cb 0.11 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.84 1xp0 h LYS 717 CO -0.03 0.36 0.27 1.96 -2.27 0.00 0.00 179.45 179.74 1xp0 h GLN 718 N 0.25 1.07 -0.63 1.90 4.20 -1.14 0.02 115.11 120.78 1xp0 h GLN 718 Ca 0.08 -0.21 -0.06 0.00 0.06 0.00 0.00 58.65 58.52 1xp0 h GLN 718 Cb 0.13 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 27.72 1xp0 h GLN 718 CO -0.01 0.90 0.15 0.00 -0.67 0.00 0.00 178.83 179.19 1xp0 h ALA 719 N 1.12 0.83 -0.13 3.87 0.00 -0.54 0.38 119.26 124.79 1xp0 h ALA 719 Ca 0.23 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1xp0 h ALA 719 Cb 0.24 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1xp0 h ALA 719 CO -0.02 0.55 -0.15 0.82 0.00 0.00 0.00 179.25 180.45 1xp0 h ILE 720 N 0.93 1.36 -0.10 0.00 2.04 -0.55 -3.01 117.51 118.17 1xp0 h ILE 720 Ca 0.20 -1.33 -0.00 0.00 1.00 0.00 0.00 64.86 64.72 1xp0 h ILE 720 Cb 0.37 1.93 -0.01 0.00 -0.74 0.00 0.00 36.82 38.37 1xp0 h ILE 720 CO 0.00 0.39 0.05 -0.07 0.00 0.00 0.00 178.15 178.53 1xp0 h LEU 721 N -0.05 0.12 -2.40 1.44 3.38 -0.85 -2.05 115.31 114.90 1xp0 h LEU 721 Ca 0.02 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1xp0 h LEU 721 Cb 0.69 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 1xp0 h LEU 721 CO 0.04 0.10 -0.02 0.00 0.09 0.00 0.00 178.44 178.65 1xp0 h ALA 722 N 1.92 1.46 0.00 1.53 0.00 -0.78 -2.04 119.26 121.35 1xp0 h ALA 722 Ca 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1xp0 h ALA 722 Cb 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1xp0 h ALA 722 CO -0.01 0.03 0.00 0.25 0.00 0.00 0.00 179.25 179.52 1xp0 n THR 723 N -3.78 0.36 -2.17 0.00 -2.24 -0.77 -4.24 114.28 101.44 1xp0 n THR 723 Ca -0.03 0.09 -0.43 0.00 -2.27 0.00 0.00 64.05 61.41 1xp0 n THR 723 Cb 0.11 -0.74 -0.02 0.00 -2.10 0.00 0.00 70.33 67.57 1xp0 n THR 723 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1xp0 s ASP 724 N -2.58 6.30 0.50 3.42 3.68 -0.77 -4.88 116.67 122.35 1xp0 s ASP 724 Ca 0.20 1.36 0.17 0.00 2.13 0.00 0.00 52.55 56.41 1xp0 s ASP 724 Cb 0.14 -2.53 1.22 0.00 -1.45 0.00 0.00 42.92 40.30 1xp0 s ASP 724 CO 0.32 -1.36 2.07 -0.07 0.13 0.00 0.00 175.17 176.26 1xp0 h LEU 725 N 12.10 0.11 -1.26 -1.34 3.38 -1.89 -0.49 115.31 125.92 1xp0 h LEU 725 Ca -0.32 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.68 1xp0 h LEU 725 Cb 1.14 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.82 1xp0 h LEU 725 CO 1.03 0.07 0.51 0.00 0.09 0.00 0.00 178.44 180.14 1xp0 h ALA 726 N 1.85 1.52 -0.05 1.53 0.00 -1.93 -0.58 119.26 121.59 1xp0 h ALA 726 Ca 0.14 -0.04 -0.21 0.00 0.00 0.00 0.00 54.91 54.79 1xp0 h ALA 726 Cb 0.38 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1xp0 h ALA 726 CO -0.02 0.41 -0.85 -0.07 0.00 0.00 0.00 179.25 178.73 1xp0 h LEU 727 N 0.98 0.57 -0.18 0.00 3.38 -1.42 -2.26 115.31 116.38 1xp0 h LEU 727 Ca 0.31 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1xp0 h LEU 727 Cb 0.01 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1xp0 h LEU 727 CO -0.08 1.19 0.11 0.22 0.09 0.00 0.00 178.44 179.97 1xp0 h TYR 728 N 0.29 0.22 -0.69 1.13 3.20 -0.96 -1.28 116.97 118.87 1xp0 h TYR 728 Ca -0.06 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.80 1xp0 h TYR 728 Cb 1.46 -0.07 -0.03 0.00 1.54 0.00 0.00 36.73 39.62 1xp0 h TYR 728 CO 0.06 0.15 0.35 0.82 -1.64 0.00 0.00 178.16 177.90 1xp0 h ILE 729 N 0.23 1.21 -0.28 1.81 2.04 -1.10 -0.73 117.51 120.69 1xp0 h ILE 729 Ca 0.06 -0.57 -0.11 0.00 1.00 0.00 0.00 64.86 65.25 1xp0 h ILE 729 Cb -0.02 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 36.36 1xp0 h ILE 729 CO -0.01 0.25 -0.27 0.50 0.00 0.00 0.00 178.15 178.61 1xp0 h LYS 730 N 0.97 0.55 0.00 2.37 3.64 -1.08 -3.34 116.57 119.68 1xp0 h LYS 730 Ca 0.24 -0.22 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1xp0 h LYS 730 Cb 0.06 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 1xp0 h LYS 730 CO -0.04 0.77 -1.52 0.54 -2.27 0.00 0.00 179.45 176.94 1xp0 n ARG 731 N -4.10 0.69 0.20 1.90 1.74 -0.51 -4.61 116.66 111.97 1xp0 n ARG 731 Ca -0.00 -0.11 0.04 0.00 -0.77 0.00 0.00 57.85 57.00 1xp0 n ARG 731 Cb 0.43 -1.42 0.42 0.00 -1.02 0.00 0.00 32.46 30.86 1xp0 n ARG 731 CO 0.00 0.00 0.00 0.07 -1.52 0.00 0.00 177.63 176.18 1xp0 h ARG 732 N 0.00 0.00 -0.81 5.56 0.11 -1.27 -3.08 114.38 114.89 1xp0 h ARG 732 Ca 0.00 0.00 0.07 0.00 0.10 0.00 0.00 59.98 60.15 1xp0 h ARG 732 Cb 0.72 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 31.73 1xp0 h ARG 732 CO 0.00 0.30 0.48 0.78 0.10 0.00 0.00 179.97 181.63 1xp0 h GLY 733 N 0.92 1.23 0.95 0.08 0.00 -1.81 0.21 103.07 104.65 1xp0 h GLY 733 Ca -0.00 -0.33 0.01 0.00 0.00 0.00 0.00 47.33 47.00 1xp0 h GLY 733 CO 0.04 0.19 0.26 -2.09 0.00 0.00 0.00 176.54 174.94 1xp0 h GLU 734 N 0.85 0.51 -0.10 4.80 4.81 -1.87 -0.98 114.58 122.59 1xp0 h GLU 734 Ca 0.37 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.57 1xp0 h GLU 734 Cb 0.25 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 1xp0 h GLU 734 CO -0.20 0.34 0.06 0.35 -0.73 0.00 0.00 179.01 178.83 1xp0 h PHE 735 N 0.53 0.14 -0.70 0.92 3.57 -1.38 -0.72 116.94 119.30 1xp0 h PHE 735 Ca 0.16 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.64 1xp0 h PHE 735 Cb -0.03 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 38.63 1xp0 h PHE 735 CO -0.06 0.13 0.34 0.74 -2.23 0.00 0.00 178.31 177.23 1xp0 h PHE 736 N 0.11 0.98 -0.24 0.41 0.05 -0.83 -2.01 116.94 115.41 1xp0 h PHE 736 Ca 0.04 -0.04 -0.16 0.00 3.82 0.00 0.00 57.97 61.64 1xp0 h PHE 736 Cb 0.03 -0.31 0.00 0.00 2.00 0.00 0.00 35.95 37.67 1xp0 h PHE 736 CO -0.06 0.71 -0.46 1.49 -0.18 0.00 0.00 178.31 179.82 1xp0 h GLU 737 N 0.99 0.73 -0.88 1.51 4.57 -0.97 -0.69 114.58 119.84 1xp0 h GLU 737 Ca 0.24 -0.47 0.02 0.00 -1.18 0.00 0.00 59.36 57.98 1xp0 h GLU 737 Cb 0.09 0.06 -0.05 0.00 -0.16 0.00 0.00 28.75 28.69 1xp0 h GLU 737 CO -0.03 1.09 0.58 -0.07 -1.18 0.00 0.00 179.01 179.40 1xp0 h LEU 738 N 0.46 0.98 -0.02 1.64 3.38 -0.90 -1.31 115.31 119.55 1xp0 h LEU 738 Ca 0.01 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1xp0 h LEU 738 Cb 1.06 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.58 1xp0 h LEU 738 CO 0.10 0.69 -0.01 0.40 0.09 0.00 0.00 178.44 179.71 1xp0 h ILE 739 N 1.14 1.30 -0.73 1.22 1.08 -1.27 -0.15 117.51 120.10 1xp0 h ILE 739 Ca 0.34 -0.89 0.09 0.00 -0.39 0.00 0.00 64.86 64.01 1xp0 h ILE 739 Cb -0.05 1.86 -0.07 0.00 -3.07 0.00 0.00 36.82 35.48 1xp0 h ILE 739 CO -0.10 0.24 0.38 -0.09 -0.69 0.00 0.00 178.15 177.89 1xp0 h ARG 740 N -0.32 0.63 -0.02 2.37 2.43 -0.92 -1.79 114.38 116.75 1xp0 h ARG 740 Ca 0.01 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1xp0 h ARG 740 Cb 0.38 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 1xp0 h ARG 740 CO 0.00 0.42 0.00 1.63 -1.51 0.00 0.00 179.97 180.51 1xp0 n LYS 741 N -4.83 1.29 -3.61 0.20 5.02 -0.51 -4.93 118.16 110.79 1xp0 n LYS 741 Ca 0.11 -0.43 -0.22 0.00 -2.02 0.00 0.00 58.31 55.76 1xp0 n LYS 741 Cb 0.27 -1.45 0.07 0.00 -0.02 0.00 0.00 35.03 33.89 1xp0 n LYS 741 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1xp0 n ASN 742 N -0.45 -3.65 -0.11 4.39 3.02 -0.68 -4.91 115.26 112.87 1xp0 n ASN 742 Ca 0.20 -0.66 0.02 0.00 -0.03 0.00 0.00 54.58 54.11 1xp0 n ASN 742 Cb 0.20 -4.70 0.01 0.00 -0.61 0.00 0.00 39.78 34.68 1xp0 n ASN 742 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xp0 n GLN 743 N -4.52 1.34 -1.68 3.52 6.02 -0.10 -5.04 117.38 116.93 1xp0 n GLN 743 Ca -0.15 -0.53 -0.45 0.00 -0.01 0.00 0.00 57.00 55.86 1xp0 n GLN 743 Cb 0.62 -0.96 -0.04 0.00 1.02 0.00 0.00 30.24 30.88 1xp0 n GLN 743 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1xp0 n PHE 744 N -0.15 2.43 -3.56 1.08 7.35 -1.07 -4.96 117.46 118.58 1xp0 n PHE 744 Ca 0.02 -0.11 -0.27 0.00 -0.76 0.00 0.00 57.45 56.33 1xp0 n PHE 744 Cb 0.09 -2.70 -0.16 0.00 0.35 0.00 0.00 39.48 37.06 1xp0 n PHE 744 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 1xp0 s ASN 745 N 3.62 2.90 0.00 -2.13 2.47 -1.26 -5.02 114.94 115.52 1xp0 s ASN 745 Ca 0.88 -0.95 0.15 0.00 0.42 0.00 0.00 52.86 53.36 1xp0 s ASN 745 Cb -0.58 -0.25 0.74 0.00 -1.45 0.00 0.00 41.25 39.71 1xp0 s ASN 745 CO 0.45 -0.40 1.42 0.18 -3.72 0.00 0.00 177.10 175.03 1xp0 n LEU 746 N 5.27 0.00 0.11 3.21 4.77 -1.26 -2.27 117.00 126.83 1xp0 n LEU 746 Ca -0.06 0.30 0.13 0.00 -0.03 0.00 0.00 56.01 56.35 1xp0 n LEU 746 Cb 0.45 -0.30 0.35 0.00 -2.33 0.00 0.00 43.42 41.59 1xp0 n LEU 746 CO 0.07 -0.15 0.82 -0.33 -1.33 0.00 0.00 177.39 176.46 1xp0 h GLU 747 N 0.00 0.00 -6.04 3.23 4.39 -1.97 -3.40 114.58 110.79 1xp0 h GLU 747 Ca 0.00 0.00 -0.59 0.00 0.34 0.00 0.00 59.36 59.11 1xp0 h GLU 747 Cb 0.15 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 28.72 1xp0 h GLU 747 CO 0.00 0.00 0.65 0.34 -1.16 0.00 0.00 179.01 178.84 1xp0 s ASP 748 N -4.68 6.85 0.29 1.42 -1.08 -0.96 -4.95 116.67 113.56 1xp0 s ASP 748 Ca 0.10 0.96 0.03 0.00 -0.52 0.00 0.00 52.55 53.12 1xp0 s ASP 748 Cb 0.12 -2.49 0.63 0.00 -1.46 0.00 0.00 42.92 39.72 1xp0 s ASP 748 CO 0.62 -0.72 1.81 -0.65 0.52 0.00 0.00 175.17 176.75 1xp0 h PRO 749 N 7.96 0.88 -0.58 4.34 0.11 -1.88 -0.97 132.00 141.86 1xp0 h PRO 749 Ca -0.22 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.81 1xp0 h PRO 749 Cb 1.08 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 31.96 1xp0 h PRO 749 CO 0.96 0.58 0.24 1.25 -0.21 0.00 0.00 178.00 180.82 1xp0 h HIS 750 N 0.90 0.88 -0.30 0.65 -0.00 -1.95 -2.11 115.15 113.23 1xp0 h HIS 750 Ca 0.53 -0.06 -0.10 0.00 -0.00 0.00 0.00 60.37 60.74 1xp0 h HIS 750 Cb 0.65 -0.26 -0.01 0.00 -0.00 0.00 0.00 27.41 27.78 1xp0 h HIS 750 CO -0.00 0.70 -0.22 1.96 -0.00 0.00 0.00 177.93 180.37 1xp0 h GLN 751 N 0.80 0.58 -0.31 5.26 4.20 -1.53 -0.85 115.11 123.26 1xp0 h GLN 751 Ca 0.19 -0.21 -0.02 0.00 0.06 0.00 0.00 58.65 58.67 1xp0 h GLN 751 Cb 0.19 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 1xp0 h GLN 751 CO -0.02 0.76 0.12 -0.22 -0.67 0.00 0.00 178.83 178.81 1xp0 h LYS 752 N 0.51 0.46 -0.62 1.46 1.63 -1.07 0.34 116.57 119.28 1xp0 h LYS 752 Ca 0.08 -0.08 -0.03 0.00 -0.85 0.00 0.00 60.65 59.77 1xp0 h LYS 752 Cb 0.66 -0.08 -0.03 0.00 -0.60 0.00 0.00 32.23 32.19 1xp0 h LYS 752 CO 0.05 0.47 0.28 1.49 -3.45 0.00 0.00 179.45 178.28 1xp0 h GLU 753 N 0.35 0.92 -0.38 1.90 4.81 -1.13 -0.96 114.58 120.09 1xp0 h GLU 753 Ca 0.10 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1xp0 h GLU 753 Cb 0.18 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 1xp0 h GLU 753 CO -0.01 0.76 0.25 1.25 -0.73 0.00 0.00 179.01 180.53 1xp0 h LEU 754 N 0.86 0.44 -0.60 1.64 6.46 -1.01 -2.05 115.31 121.06 1xp0 h LEU 754 Ca 0.21 -0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 57.95 1xp0 h LEU 754 Cb 0.16 -0.11 -0.03 0.00 -0.73 0.00 0.00 40.66 39.95 1xp0 h LEU 754 CO -0.02 0.32 0.34 0.15 -0.62 0.00 0.00 178.44 178.60 1xp0 h PHE 755 N 0.51 0.81 -1.00 1.25 3.57 -0.47 -1.65 116.94 119.96 1xp0 h PHE 755 Ca 0.14 -0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.65 1xp0 h PHE 755 Cb -0.06 -0.26 -0.05 0.00 2.79 0.00 0.00 35.95 38.37 1xp0 h PHE 755 CO -0.05 0.58 0.66 -0.07 -2.23 0.00 0.00 178.31 177.20 1xp0 h LEU 756 N 0.81 1.12 -0.39 0.59 3.38 -0.95 0.78 115.31 120.65 1xp0 h LEU 756 Ca 0.21 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 1xp0 h LEU 756 Cb 0.03 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 1xp0 h LEU 756 CO -0.04 0.79 0.15 0.00 0.09 0.00 0.00 178.44 179.44 1xp0 h ALA 757 N 1.39 0.51 -0.63 1.53 0.00 -1.00 -1.40 119.26 119.65 1xp0 h ALA 757 Ca 0.38 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 55.07 1xp0 h ALA 757 Cb -0.09 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1xp0 h ALA 757 CO -0.10 0.12 0.11 0.52 0.00 0.00 0.00 179.25 179.90 1xp0 h MET 758 N 0.48 1.04 -0.74 0.00 2.86 -0.67 -2.40 114.93 115.52 1xp0 h MET 758 Ca 0.13 -0.28 -0.05 0.00 -2.06 0.00 0.00 59.70 57.45 1xp0 h MET 758 Cb 0.20 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.70 1xp0 h MET 758 CO -0.01 0.97 0.28 1.25 1.06 0.00 0.00 176.91 180.45 1xp0 h LEU 759 N 0.96 1.02 -0.33 1.22 5.85 -0.70 -0.77 115.31 122.55 1xp0 h LEU 759 Ca 0.19 -0.16 0.01 0.00 0.84 0.00 0.00 57.88 58.76 1xp0 h LEU 759 Cb 0.42 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 1xp0 h LEU 759 CO 0.01 0.92 0.21 0.24 -0.34 0.00 0.00 178.44 179.47 1xp0 h MET 760 N 1.07 0.41 -0.70 1.25 2.86 -0.94 -1.44 114.93 117.45 1xp0 h MET 760 Ca 0.24 -0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.82 1xp0 h MET 760 Cb 0.23 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.77 1xp0 h MET 760 CO -0.02 0.27 0.27 1.15 1.06 0.00 0.00 176.91 179.64 1xp0 h THR 761 N 0.42 1.25 -0.78 2.22 2.02 -1.12 0.39 112.91 117.30 1xp0 h THR 761 Ca 0.13 -0.79 0.05 0.00 0.77 0.00 0.00 66.41 66.56 1xp0 h THR 761 Cb -0.02 0.46 -0.05 0.00 -1.74 0.00 0.00 68.15 66.79 1xp0 h THR 761 CO -0.04 0.31 0.49 0.00 0.37 0.00 0.00 175.52 176.65 1xp0 h ALA 762 N 1.12 1.05 -0.20 6.16 0.00 -0.70 -1.08 119.26 125.61 1xp0 h ALA 762 Ca 0.23 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.97 1xp0 h ALA 762 Cb 0.23 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1xp0 h ALA 762 CO -0.02 0.25 -0.47 0.00 0.00 0.00 0.00 179.25 179.02 1xp0 h ASP 764 N 0.36 0.81 -0.10 0.00 3.58 -0.50 -2.57 116.42 117.99 1xp0 h ASP 764 Ca -0.00 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.46 1xp0 h ASP 764 Cb 1.08 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.97 1xp0 h ASP 764 CO 0.10 0.52 0.00 0.18 -2.88 0.00 0.00 179.24 177.17 1xp0 n LEU 765 N -4.63 1.89 0.26 2.28 4.77 -0.45 -4.61 117.00 116.51 1xp0 n LEU 765 Ca 0.12 -0.71 0.16 0.00 -0.03 0.00 0.00 56.01 55.54 1xp0 n LEU 765 Cb 0.16 -0.06 0.84 0.00 -2.33 0.00 0.00 43.42 42.03 1xp0 n LEU 765 CO 0.31 0.35 1.02 0.77 -1.33 0.00 0.00 177.39 178.51 1xp0 h SER 766 N 2.74 0.00 -0.33 -1.43 4.64 -1.19 -1.79 113.55 116.19 1xp0 h SER 766 Ca 0.00 0.00 0.10 0.00 -0.47 0.00 0.00 61.79 61.42 1xp0 h SER 766 Cb 0.59 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.67 1xp0 h SER 766 CO 0.00 0.00 0.24 0.00 -0.87 0.00 0.00 176.83 176.20 1xp0 h ALA 767 N 1.75 2.31 0.00 5.18 0.00 -1.83 -0.33 119.26 126.33 1xp0 h ALA 767 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1xp0 h ALA 767 Cb 0.22 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1xp0 h ALA 767 CO 0.00 -0.41 0.00 1.51 0.00 0.00 0.00 179.25 180.35 1xp0 n ILE 768 N -4.42 1.06 0.88 0.00 0.13 -0.67 -2.38 119.36 113.96 1xp0 n ILE 768 Ca 0.05 0.41 0.10 0.00 -1.10 0.00 0.00 62.75 62.21 1xp0 n ILE 768 Cb 0.42 -1.34 -0.00 0.00 -0.84 0.00 0.00 39.64 37.88 1xp0 n ILE 768 CO 0.00 0.00 0.00 0.35 2.80 0.00 0.00 176.55 179.70 1xp0 n THR 769 N -2.03 0.00 -1.47 9.51 -2.24 -0.14 -4.09 114.28 113.82 1xp0 n THR 769 Ca 0.01 -0.30 -0.31 0.00 -2.27 0.00 0.00 64.05 61.18 1xp0 n THR 769 Cb 0.14 1.24 0.07 0.00 -2.10 0.00 0.00 70.33 69.67 1xp0 n THR 769 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1xp0 s LYS 770 N -2.22 2.68 0.45 -0.78 -0.14 -1.00 -4.14 119.74 114.58 1xp0 s LYS 770 Ca 0.17 1.01 -0.23 0.00 -1.36 0.00 0.00 55.97 55.56 1xp0 s LYS 770 Cb 0.16 -1.96 -0.11 0.00 -1.68 0.00 0.00 37.83 34.25 1xp0 s LYS 770 CO 0.49 -1.30 0.80 -2.30 -0.76 0.00 0.00 175.35 172.28 1xp0 n PRO 771 N -3.27 0.95 -0.29 -1.68 -0.02 -1.26 -4.44 135.00 124.98 1xp0 n PRO 771 Ca 0.08 0.35 0.04 0.00 -2.02 0.00 0.00 63.50 61.95 1xp0 n PRO 771 Cb 0.53 -1.83 0.13 0.00 -0.02 0.00 0.00 33.50 32.31 1xp0 n PRO 771 CO 0.00 0.00 0.00 2.35 1.98 0.00 0.00 175.50 179.83 1xp0 h TRP 772 N 1.06 -0.35 -0.91 6.00 2.91 -1.94 -0.74 115.95 121.97 1xp0 h TRP 772 Ca -0.43 0.07 0.04 0.00 1.13 0.00 0.00 58.89 59.69 1xp0 h TRP 772 Cb 1.37 0.29 -0.05 0.00 -0.51 0.00 0.00 29.16 30.25 1xp0 h TRP 772 CO 0.39 -0.35 0.60 -1.35 -1.03 0.00 0.00 178.44 176.71 1xp0 h PRO 773 N 0.01 1.11 -0.15 2.65 0.11 -1.99 0.43 132.00 134.17 1xp0 h PRO 773 Ca 0.42 -0.07 -0.07 0.00 0.11 0.00 0.00 66.00 66.39 1xp0 h PRO 773 Cb 0.67 -0.25 -0.00 0.00 0.11 0.00 0.00 31.00 31.53 1xp0 h PRO 773 CO -0.83 0.74 -0.18 0.82 -0.21 0.00 0.00 178.00 178.34 1xp0 h ILE 774 N 1.14 1.35 -0.62 4.15 2.04 -1.50 -2.78 117.51 121.30 1xp0 h ILE 774 Ca 0.36 -1.36 -0.07 0.00 1.00 0.00 0.00 64.86 64.79 1xp0 h ILE 774 Cb 0.02 1.88 -0.03 0.00 -0.74 0.00 0.00 36.82 37.95 1xp0 h ILE 774 CO -0.11 0.40 0.10 -0.61 0.00 0.00 0.00 178.15 177.94 1xp0 h GLN 775 N 0.02 0.99 -0.49 2.37 5.75 -1.06 -1.16 115.11 121.53 1xp0 h GLN 775 Ca 0.02 -0.25 -0.07 0.00 -0.15 0.00 0.00 58.65 58.21 1xp0 h GLN 775 Cb 0.72 -0.13 -0.02 0.00 1.07 0.00 0.00 27.48 29.12 1xp0 h GLN 775 CO 0.04 0.91 0.02 0.37 -2.65 0.00 0.00 178.83 177.53 1xp0 h GLN 776 N 0.94 0.80 -0.13 1.69 4.15 -0.96 0.34 115.11 121.95 1xp0 h GLN 776 Ca 0.19 -0.21 -0.04 0.00 0.77 0.00 0.00 58.65 59.37 1xp0 h GLN 776 Cb 0.40 -0.10 -0.00 0.00 0.21 0.00 0.00 27.48 27.99 1xp0 h GLN 776 CO 0.01 0.79 -0.06 -0.09 -1.93 0.00 0.00 178.83 177.55 1xp0 h ARG 777 N 0.75 0.28 -0.38 1.69 2.43 -1.19 -2.73 114.38 115.23 1xp0 h ARG 777 Ca 0.15 -0.12 -0.09 0.00 -0.81 0.00 0.00 59.98 59.12 1xp0 h ARG 777 Cb 0.43 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.95 1xp0 h ARG 777 CO 0.02 0.61 -0.12 0.82 -1.51 0.00 0.00 179.97 179.78 1xp0 h ILE 778 N -0.06 1.25 -0.39 1.20 2.04 -1.07 -2.43 117.51 118.04 1xp0 h ILE 778 Ca 0.03 -1.12 -0.03 0.00 1.00 0.00 0.00 64.86 64.74 1xp0 h ILE 778 Cb 0.52 1.09 -0.02 0.00 -0.74 0.00 0.00 36.82 37.67 1xp0 h ILE 778 CO 0.02 0.38 0.11 0.00 0.00 0.00 0.00 178.15 178.66 1xp0 h ALA 779 N 1.26 1.47 -0.40 1.87 0.00 -0.90 -0.64 119.26 121.93 1xp0 h ALA 779 Ca 0.11 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 1xp0 h ALA 779 Cb 0.56 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1xp0 h ALA 779 CO 0.03 0.39 -0.14 0.93 0.00 0.00 0.00 179.25 180.47 1xp0 h GLU 780 N 0.56 0.73 -0.43 0.00 5.08 -1.12 -1.21 114.58 118.18 1xp0 h GLU 780 Ca 0.13 -0.25 -0.06 0.00 -1.00 0.00 0.00 59.36 58.18 1xp0 h GLU 780 Cb 0.19 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 1xp0 h GLU 780 CO -0.01 0.83 0.04 -0.07 -1.00 0.00 0.00 179.01 178.81 1xp0 h LEU 781 N 0.65 0.70 -0.44 1.33 3.38 -1.00 -0.89 115.31 119.04 1xp0 h LEU 781 Ca 0.11 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 1xp0 h LEU 781 Cb 0.61 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 1xp0 h LEU 781 CO 0.04 0.81 0.25 0.58 0.09 0.00 0.00 178.44 180.21 1xp0 h VAL 782 N 0.57 1.16 -0.46 1.22 2.07 -0.95 -1.74 116.25 118.11 1xp0 h VAL 782 Ca 0.13 -0.39 -0.07 0.00 0.82 0.00 0.00 66.70 67.19 1xp0 h VAL 782 Cb 0.43 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 1xp0 h VAL 782 CO 0.01 0.16 0.02 0.00 0.02 0.00 0.00 177.57 177.79 1xp0 h ALA 783 N 1.10 1.17 -0.02 1.67 0.00 -1.16 -1.75 119.26 120.27 1xp0 h ALA 783 Ca 0.16 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1xp0 h ALA 783 Cb 0.04 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1xp0 h ALA 783 CO -0.03 0.54 0.01 1.15 0.00 0.00 0.00 179.25 180.93 1xp0 h THR 784 N 0.71 1.03 -0.58 0.00 2.02 -0.80 0.77 112.91 116.06 1xp0 h THR 784 Ca 0.14 -0.09 0.02 0.00 0.77 0.00 0.00 66.41 67.25 1xp0 h THR 784 Cb 0.40 1.07 -0.04 0.00 -1.74 0.00 0.00 68.15 67.85 1xp0 h THR 784 CO 0.01 0.03 0.36 -0.08 0.37 0.00 0.00 175.52 176.21 1xp0 h GLU 785 N -0.01 0.70 -0.24 6.66 4.81 -1.09 -0.45 114.58 124.96 1xp0 h GLU 785 Ca 0.01 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 1xp0 h GLU 785 Cb 0.04 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 1xp0 h GLU 785 CO -0.00 0.47 0.12 0.74 -0.73 0.00 0.00 179.01 179.60 1xp0 h PHE 786 N 0.72 0.34 -0.14 0.92 0.04 -1.07 -1.94 116.94 115.82 1xp0 h PHE 786 Ca 0.23 -0.01 -0.05 0.00 2.80 0.00 0.00 57.97 60.93 1xp0 h PHE 786 Cb -0.01 -0.11 -0.01 0.00 2.20 0.00 0.00 35.95 38.02 1xp0 h PHE 786 CO -0.05 0.32 -0.15 0.74 -0.60 0.00 0.00 178.31 178.57 1xp0 h PHE 787 N 0.26 0.23 -0.23 -0.55 0.04 -0.58 -1.35 116.94 114.75 1xp0 h PHE 787 Ca 0.08 -0.03 -0.12 0.00 2.80 0.00 0.00 57.97 60.70 1xp0 h PHE 787 Cb 0.11 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 38.18 1xp0 h PHE 787 CO -0.03 0.37 -0.37 -0.44 -0.60 0.00 0.00 178.31 177.24 1xp0 h ASP 788 N 0.21 0.55 -0.47 2.17 3.32 -0.81 -1.73 116.42 119.65 1xp0 h ASP 788 Ca 0.04 -0.23 -0.10 0.00 0.02 0.00 0.00 57.03 56.76 1xp0 h ASP 788 Cb 0.40 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 1xp0 h ASP 788 CO 0.02 0.87 -0.10 -0.61 -1.72 0.00 0.00 179.24 177.71 1xp0 h GLN 789 N 0.44 0.90 -0.20 3.56 4.15 -0.61 -2.65 115.11 120.71 1xp0 h GLN 789 Ca 0.04 -0.34 -0.02 0.00 0.77 0.00 0.00 58.65 59.10 1xp0 h GLN 789 Cb 0.85 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.48 1xp0 h GLN 789 CO 0.07 0.99 0.04 0.78 -1.93 0.00 0.00 178.83 178.78 1xp0 h GLY 790 N 0.75 0.31 1.06 2.39 0.00 -1.00 0.41 103.07 106.98 1xp0 h GLY 790 Ca 0.12 -0.14 -0.12 0.00 0.00 0.00 0.00 47.33 47.19 1xp0 h GLY 790 CO 0.04 0.14 -0.20 -0.55 0.00 0.00 0.00 176.54 175.97 1xp0 h ASP 791 N 0.29 0.94 -0.63 0.19 3.32 -1.17 -2.13 116.42 117.23 1xp0 h ASP 791 Ca 0.07 -0.40 -0.05 0.00 0.02 0.00 0.00 57.03 56.67 1xp0 h ASP 791 Cb 0.13 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.40 1xp0 h ASP 791 CO -0.00 1.13 0.18 0.03 -1.72 0.00 0.00 179.24 178.85 1xp0 h ARG 792 N 0.75 0.98 -0.55 3.56 3.08 -0.91 -2.59 114.38 118.71 1xp0 h ARG 792 Ca 0.10 -0.22 -0.05 0.00 0.07 0.00 0.00 59.98 59.88 1xp0 h ARG 792 Cb 0.77 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.66 1xp0 h ARG 792 CO 0.06 0.88 0.14 0.93 -1.07 0.00 0.00 179.97 180.92 1xp0 h GLU 793 N 0.91 0.84 -0.62 0.04 5.08 -0.86 0.25 114.58 120.21 1xp0 h GLU 793 Ca 0.20 -0.16 -0.03 0.00 -1.00 0.00 0.00 59.36 58.36 1xp0 h GLU 793 Cb 0.32 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 1xp0 h GLU 793 CO -0.00 0.74 0.25 0.00 -1.00 0.00 0.00 179.01 179.00 1xp0 h ARG 794 N 0.81 0.92 0.19 2.33 3.08 -1.16 -1.20 114.38 119.35 1xp0 h ARG 794 Ca 0.18 -0.17 -0.32 0.00 0.07 0.00 0.00 59.98 59.74 1xp0 h ARG 794 Cb 0.28 -0.15 0.02 0.00 0.08 0.00 0.00 29.97 30.19 1xp0 h ARG 794 CO -0.00 0.78 -1.54 0.87 -1.07 0.00 0.00 179.97 179.00 1xp0 h LYS 795 N 0.86 0.40 0.02 0.04 1.79 -1.16 -3.14 116.57 115.38 1xp0 h LYS 795 Ca 0.21 -0.68 -0.34 0.00 -2.18 0.00 0.00 60.65 57.66 1xp0 h LYS 795 Cb 0.20 0.25 -0.05 0.00 -1.58 0.00 0.00 32.23 31.05 1xp0 h LYS 795 CO -0.02 1.32 -2.02 0.39 -1.08 0.00 0.00 179.45 178.05 1xp0 n GLU 796 N -3.74 0.67 0.00 3.15 1.02 0.85 -4.42 120.64 118.18 1xp0 n GLU 796 Ca -0.22 0.20 0.06 0.00 -0.02 0.00 0.00 57.16 57.17 1xp0 n GLU 796 Cb 1.03 -1.68 0.00 0.00 -0.02 0.00 0.00 31.44 30.77 1xp0 n GLU 796 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1xp0 n LEU 797 N -3.07 1.35 -4.07 -4.62 4.77 -0.59 -5.02 117.00 105.75 1xp0 n LEU 797 Ca -0.27 -0.78 -0.29 0.00 -0.03 0.00 0.00 56.01 54.64 1xp0 n LEU 797 Cb 1.07 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 42.13 1xp0 n LEU 797 CO 0.42 0.27 -0.20 0.59 -1.33 0.00 0.00 177.39 177.13 1xp0 n ASN 798 N -0.17 -1.02 -4.52 -1.43 3.02 -0.56 -4.98 115.26 105.61 1xp0 n ASN 798 Ca 0.05 -1.04 -0.24 0.00 -0.03 0.00 0.00 54.58 53.31 1xp0 n ASN 798 Cb 0.24 -2.80 -0.11 0.00 -0.61 0.00 0.00 39.78 36.51 1xp0 n ASN 798 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 1xp0 s ILE 799 N -3.82 1.76 -0.29 2.41 -4.36 -1.17 -5.01 121.20 110.72 1xp0 s ILE 799 Ca 0.22 -2.07 -0.15 0.00 -0.26 0.00 0.00 60.65 58.39 1xp0 s ILE 799 Cb -0.12 -2.75 -0.03 0.00 1.25 0.00 0.00 42.46 40.81 1xp0 s ILE 799 CO 0.91 -0.11 0.35 -0.70 0.24 0.00 0.00 174.94 175.64 1xp0 s GLU 800 N -3.74 3.88 0.63 0.37 2.12 -1.26 -3.94 118.70 116.75 1xp0 s GLU 800 Ca 0.34 -0.13 -0.18 0.00 0.36 0.00 0.00 54.97 55.36 1xp0 s GLU 800 Cb 0.07 -3.70 -0.02 0.00 0.26 0.00 0.00 34.13 30.74 1xp0 s GLU 800 CO 0.16 -0.35 1.24 -1.25 -0.54 0.00 0.00 175.26 174.52 1xp0 s PRO 801 N 2.03 2.74 1.13 4.30 0.04 -1.26 -5.00 135.00 138.98 1xp0 s PRO 801 Ca 0.13 1.90 -0.14 0.00 0.04 0.00 0.00 61.00 62.93 1xp0 s PRO 801 Cb -0.16 -1.89 0.21 0.00 0.04 0.00 0.00 34.50 32.70 1xp0 s PRO 801 CO 0.11 -1.41 0.68 0.25 0.04 0.00 0.00 177.00 176.67 1xp0 n THR 802 N -1.83 0.00 -0.34 1.26 -2.24 -1.26 -4.56 114.28 105.32 1xp0 n THR 802 Ca 0.14 -0.36 0.08 0.00 -2.27 0.00 0.00 64.05 61.64 1xp0 n THR 802 Cb 0.49 -0.85 0.24 0.00 -2.10 0.00 0.00 70.33 68.11 1xp0 n THR 802 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1xp0 h ASP 803 N -2.39 0.77 0.89 3.42 3.32 -1.94 -1.59 116.42 118.91 1xp0 h ASP 803 Ca -0.57 0.07 -0.02 0.00 0.02 0.00 0.00 57.03 56.53 1xp0 h ASP 803 Cb 1.33 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 40.80 1xp0 h ASP 803 CO 0.44 0.37 -0.08 0.17 -1.72 0.00 0.00 179.24 178.42 1xp0 h LEU 804 N 0.83 0.00 -1.56 1.55 -0.00 -1.92 -2.60 115.31 111.61 1xp0 h LEU 804 Ca 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.37 1xp0 h LEU 804 Cb 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.26 1xp0 h LEU 804 CO -0.31 0.08 -0.14 0.23 -0.00 0.00 0.00 178.44 178.31 1xp0 n MET 805 N -3.24 1.80 -3.25 0.17 0.00 -0.70 -4.50 117.12 107.41 1xp0 n MET 805 Ca 0.00 -1.51 -0.42 0.00 0.00 0.00 0.00 57.70 55.77 1xp0 n MET 805 Cb 0.33 -1.41 -0.08 0.00 0.00 0.00 0.00 33.22 32.06 1xp0 n MET 805 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 175.97 177.18 1xp0 s ASN 806 N -1.95 6.29 0.55 7.83 3.84 -0.69 -3.82 114.94 126.99 1xp0 s ASN 806 Ca 0.22 -0.19 0.29 0.00 0.21 0.00 0.00 52.86 53.39 1xp0 s ASN 806 Cb 0.17 -2.26 1.60 0.00 -0.55 0.00 0.00 41.25 40.21 1xp0 s ASN 806 CO 0.35 -0.53 2.14 -0.09 -2.79 0.00 0.00 177.10 176.18 1xp0 h ARG 807 N 8.57 0.00 0.00 0.43 2.43 -1.87 -1.70 114.38 122.24 1xp0 h ARG 807 Ca -0.27 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 58.84 1xp0 h ARG 807 Cb 1.12 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.66 1xp0 h ARG 807 CO 0.79 0.08 -0.27 1.49 -1.51 0.00 0.00 179.97 180.54 1xp0 h GLU 808 N 0.00 0.00 -1.07 0.20 4.81 -1.93 -3.06 114.58 113.54 1xp0 h GLU 808 Ca -0.00 0.00 -0.45 0.00 -0.13 0.00 0.00 59.36 58.78 1xp0 h GLU 808 Cb 0.22 0.00 -0.24 0.00 0.63 0.00 0.00 28.75 29.36 1xp0 h GLU 808 CO 0.01 0.27 0.58 1.63 -0.73 0.00 0.00 179.01 180.77 1xp0 n LYS 809 N -3.44 2.10 0.24 1.92 4.76 -0.64 -4.54 118.16 118.57 1xp0 n LYS 809 Ca 0.00 -2.46 0.07 0.00 -2.87 0.00 0.00 58.31 53.05 1xp0 n LYS 809 Cb 0.45 -1.96 0.56 0.00 -1.84 0.00 0.00 35.03 32.24 1xp0 n LYS 809 CO 0.00 0.00 0.00 -0.22 -1.37 0.00 0.00 177.40 175.81 1xp0 h LYS 810 N 1.12 0.00 0.00 1.97 3.64 -1.65 -2.18 116.57 119.48 1xp0 h LYS 810 Ca 0.50 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.86 1xp0 h LYS 810 Cb 1.95 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.77 1xp0 h LYS 810 CO 1.01 0.15 -0.07 -2.95 -2.27 0.00 0.00 179.45 175.32 1xp0 h ASN 811 N 0.00 0.00 0.49 4.20 7.08 -1.88 -2.66 115.58 122.81 1xp0 h ASN 811 Ca -0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 1xp0 h ASN 811 Cb 0.27 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.51 1xp0 h ASN 811 CO 0.02 0.07 0.00 0.29 -2.08 0.00 0.00 177.43 175.73 1xp0 n LYS 812 N -3.62 0.50 -0.08 4.14 5.02 -0.82 -4.39 118.16 118.91 1xp0 n LYS 812 Ca -0.02 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.21 1xp0 n LYS 812 Cb 0.18 -1.50 -0.00 0.00 -0.02 0.00 0.00 35.03 33.69 1xp0 n LYS 812 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1xp0 h ILE 813 N 0.00 0.47 -0.56 -0.18 2.04 -1.63 -2.36 117.51 115.30 1xp0 h ILE 813 Ca 0.00 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.96 1xp0 h ILE 813 Cb 0.25 0.47 -0.08 0.00 -0.74 0.00 0.00 36.82 36.72 1xp0 h ILE 813 CO 0.00 0.00 0.14 -0.65 0.00 0.00 0.00 178.15 177.64 1xp0 h PRO 814 N -0.14 0.27 -0.14 2.37 0.11 -1.85 -0.19 132.00 132.44 1xp0 h PRO 814 Ca 0.17 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 66.16 1xp0 h PRO 814 Cb 0.39 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.43 1xp0 h PRO 814 CO -0.41 0.18 -0.34 0.66 -0.21 0.00 0.00 178.00 177.88 1xp0 h SER 815 N 0.28 0.28 0.23 -2.05 4.64 -1.75 -2.00 113.55 113.18 1xp0 h SER 815 Ca 0.28 -0.10 -0.13 0.00 -0.47 0.00 0.00 61.79 61.37 1xp0 h SER 815 Cb 0.39 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.39 1xp0 h SER 815 CO -0.35 0.61 -0.50 0.24 -0.87 0.00 0.00 176.83 175.96 1xp0 h MET 816 N 0.24 0.31 -0.45 4.77 2.86 -0.84 -1.46 114.93 120.35 1xp0 h MET 816 Ca 0.03 -0.18 -0.13 0.00 -2.06 0.00 0.00 59.70 57.37 1xp0 h MET 816 Cb 0.72 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.38 1xp0 h MET 816 CO 0.05 0.74 -0.21 1.96 1.06 0.00 0.00 176.91 180.51 1xp0 h GLN 817 N 0.25 0.94 -0.58 1.72 1.08 -0.69 -0.47 115.11 117.36 1xp0 h GLN 817 Ca 0.01 -0.41 -0.02 0.00 -1.45 0.00 0.00 58.65 56.78 1xp0 h GLN 817 Cb 0.97 -0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 28.34 1xp0 h GLN 817 CO 0.08 1.07 0.28 0.28 -0.95 0.00 0.00 178.83 179.60 1xp0 h VAL 818 N 0.78 1.21 -0.88 -0.54 2.07 -1.17 -1.06 116.25 116.66 1xp0 h VAL 818 Ca 0.10 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 67.04 1xp0 h VAL 818 Cb 0.79 0.51 -0.04 0.00 -1.52 0.00 0.00 31.29 31.03 1xp0 h VAL 818 CO 0.07 0.24 0.56 1.23 0.02 0.00 0.00 177.57 179.68 1xp0 h GLY 819 N 0.79 1.25 0.91 2.17 0.00 -1.06 -1.07 103.07 106.07 1xp0 h GLY 819 Ca 0.20 -0.49 -0.02 0.00 0.00 0.00 0.00 47.33 47.02 1xp0 h GLY 819 CO -0.03 0.48 0.11 -2.75 0.00 0.00 0.00 176.54 174.36 1xp0 h PHE 820 N 1.20 0.46 -0.21 5.60 3.57 -0.69 -1.07 116.94 125.80 1xp0 h PHE 820 Ca 0.32 -0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.78 1xp0 h PHE 820 Cb -0.10 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.50 1xp0 h PHE 820 CO -0.01 0.46 0.13 0.82 -2.23 0.00 0.00 178.31 177.48 1xp0 h ILE 821 N 0.33 1.08 -0.47 1.41 2.04 -0.92 -0.78 117.51 120.20 1xp0 h ILE 821 Ca 0.10 -0.19 -0.10 0.00 1.00 0.00 0.00 64.86 65.66 1xp0 h ILE 821 Cb 0.20 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 1xp0 h ILE 821 CO -0.01 0.08 -0.11 0.44 0.00 0.00 0.00 178.15 178.55 1xp0 h ASP 822 N 0.26 0.91 0.65 1.72 3.32 -1.09 0.20 116.42 122.39 1xp0 h ASP 822 Ca 0.08 -0.36 -0.27 0.00 0.02 0.00 0.00 57.03 56.50 1xp0 h ASP 822 Cb 0.01 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.28 1xp0 h ASP 822 CO -0.01 1.06 -1.45 0.00 -1.72 0.00 0.00 179.24 177.12 1xp0 h ALA 823 N 0.88 0.56 0.00 3.45 0.00 -1.18 -3.43 119.26 119.54 1xp0 h ALA 823 Ca 0.12 -1.23 -0.08 0.00 0.00 0.00 0.00 54.91 53.73 1xp0 h ALA 823 Cb 0.66 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1xp0 h ALA 823 CO 0.05 1.41 -1.28 -0.89 0.00 0.00 0.00 179.25 178.54 1xp0 n ILE 824 N -3.21 0.28 -0.10 0.00 2.08 -0.32 -4.95 119.36 113.13 1xp0 n ILE 824 Ca -0.11 -0.09 -0.18 0.00 0.56 0.00 0.00 62.75 62.92 1xp0 n ILE 824 Cb 1.01 -0.94 -0.08 0.00 -0.75 0.00 0.00 39.64 38.88 1xp0 n ILE 824 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1xp0 h LEU 826 N -1.00 -0.28 -1.33 0.00 5.85 -1.24 -1.47 115.31 115.84 1xp0 h LEU 826 Ca -0.30 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.54 1xp0 h LEU 826 Cb 1.14 0.22 -0.03 0.00 0.37 0.00 0.00 40.66 42.35 1xp0 h LEU 826 CO -0.18 -0.10 0.44 1.56 -0.34 0.00 0.00 178.44 179.82 1xp0 h GLN 827 N 0.06 0.89 -0.25 1.25 4.20 -1.81 -0.66 115.11 118.79 1xp0 h GLN 827 Ca 0.21 -0.06 -0.05 0.00 0.06 0.00 0.00 58.65 58.81 1xp0 h GLN 827 Cb 0.32 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 1xp0 h GLN 827 CO -0.40 0.60 -0.06 1.25 -0.67 0.00 0.00 178.83 179.55 1xp0 h LEU 828 N 0.92 0.47 -1.01 1.46 5.85 -1.48 -1.51 115.31 120.00 1xp0 h LEU 828 Ca 0.25 -0.36 -0.10 0.00 0.84 0.00 0.00 57.88 58.50 1xp0 h LEU 828 Cb -0.10 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 40.79 1xp0 h LEU 828 CO -0.05 0.73 -0.49 1.88 -0.34 0.00 0.00 178.44 180.17 1xp0 h TYR 829 N 0.22 0.00 -0.10 1.25 -1.99 -1.12 -0.41 116.97 114.82 1xp0 h TYR 829 Ca 0.06 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.78 1xp0 h TYR 829 Cb 0.52 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.24 1xp0 h TYR 829 CO 0.05 0.49 0.01 0.93 -0.00 0.00 0.00 178.16 179.64 1xp0 h GLU 830 N 0.00 0.16 -0.55 4.88 5.08 -1.08 -2.34 114.58 120.73 1xp0 h GLU 830 Ca -0.00 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 1xp0 h GLU 830 Cb 0.88 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.08 1xp0 h GLU 830 CO 0.06 0.38 0.27 0.00 -1.00 0.00 0.00 179.01 178.72 1xp0 h ALA 831 N 0.78 0.70 -0.51 3.43 0.00 -0.97 -2.37 119.26 120.33 1xp0 h ALA 831 Ca 0.03 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1xp0 h ALA 831 Cb 0.30 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1xp0 h ALA 831 CO 0.00 0.26 0.33 1.25 0.00 0.00 0.00 179.25 181.10 1xp0 h LEU 832 N 0.74 0.59 -1.06 0.00 5.85 -1.04 -1.70 115.31 118.70 1xp0 h LEU 832 Ca 0.19 -0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.79 1xp0 h LEU 832 Cb 0.11 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 1xp0 h LEU 832 CO -0.02 0.44 -0.38 0.74 -0.34 0.00 0.00 178.44 178.87 1xp0 h THR 833 N 0.70 1.29 -0.26 1.05 2.02 -0.90 -0.01 112.91 116.80 1xp0 h THR 833 Ca 0.19 -1.41 -0.10 0.00 0.77 0.00 0.00 66.41 65.85 1xp0 h THR 833 Cb -0.07 1.66 -0.01 0.00 -1.74 0.00 0.00 68.15 67.99 1xp0 h THR 833 CO -0.04 0.42 -0.27 0.45 0.37 0.00 0.00 175.52 176.45 1xp0 h HIS 834 N 0.15 0.59 -0.18 3.16 3.86 -1.05 -2.58 115.15 119.09 1xp0 h HIS 834 Ca 0.02 -0.13 -0.08 0.00 -1.16 0.00 0.00 60.37 59.02 1xp0 h HIS 834 Cb 0.74 -0.14 -0.00 0.00 1.06 0.00 0.00 27.41 29.07 1xp0 h HIS 834 CO 0.01 0.74 -0.19 0.28 0.86 0.00 0.00 177.93 179.63 1xp0 h VAL 835 N 0.45 1.33 -2.74 2.45 2.07 -0.82 -3.43 116.25 115.56 1xp0 h VAL 835 Ca 0.06 -1.35 -0.26 0.00 0.82 0.00 0.00 66.70 65.97 1xp0 h VAL 835 Cb 0.71 1.80 -0.34 0.00 -1.52 0.00 0.00 31.29 31.94 1xp0 h VAL 835 CO 0.05 0.41 -0.58 -0.55 0.02 0.00 0.00 177.57 176.93 1xp0 s SER 836 N -6.25 0.74 0.58 0.57 0.15 -0.08 -5.02 113.70 104.40 1xp0 s SER 836 Ca -0.14 0.27 0.31 0.00 0.70 0.00 0.00 55.95 57.10 1xp0 s SER 836 Cb 0.06 0.55 1.79 0.00 -1.71 0.00 0.00 66.02 66.71 1xp0 s SER 836 CO 0.78 -0.27 2.21 1.05 1.20 0.00 0.00 173.24 178.20 1xp0 h GLU 837 N 8.30 0.00 0.00 5.44 4.11 -1.72 -1.22 114.58 129.49 1xp0 h GLU 837 Ca -0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.28 1xp0 h GLU 837 Cb 1.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1xp0 h GLU 837 CO 0.19 0.04 0.00 -0.25 0.07 0.00 0.00 179.01 179.06 1xp0 n ASP 838 N -3.65 0.00 -0.62 3.06 8.00 -1.26 -1.66 116.55 120.42 1xp0 n ASP 838 Ca -0.03 0.10 0.10 0.00 0.71 0.00 0.00 54.79 55.67 1xp0 n ASP 838 Cb 0.13 -0.32 0.32 0.00 -0.02 0.00 0.00 41.12 41.24 1xp0 n ASP 838 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xp0 h PHE 840 N 2.37 0.94 -0.64 0.00 3.57 -1.49 -2.15 116.94 119.54 1xp0 h PHE 840 Ca 0.00 0.03 0.18 0.00 3.53 0.00 0.00 57.97 61.71 1xp0 h PHE 840 Cb 0.52 -0.28 -0.03 0.00 2.79 0.00 0.00 35.95 38.95 1xp0 h PHE 840 CO 0.14 0.20 0.46 -1.35 -2.23 0.00 0.00 178.31 175.53 1xp0 h PRO 841 N 0.67 0.03 -0.18 6.41 0.11 -1.85 0.15 132.00 137.34 1xp0 h PRO 841 Ca 0.57 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.65 1xp0 h PRO 841 Cb 1.01 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 1xp0 h PRO 841 CO -0.34 0.02 0.00 -0.07 -0.21 0.00 0.00 178.00 177.40 1xp0 h LEU 842 N 0.03 0.30 -0.31 2.35 3.38 -1.73 -0.97 115.31 118.35 1xp0 h LEU 842 Ca 0.30 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1xp0 h LEU 842 Cb 1.18 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 1xp0 h LEU 842 CO -0.01 0.53 0.14 0.25 0.09 0.00 0.00 178.44 179.44 1xp0 h LEU 843 N 0.06 0.41 -0.25 1.67 5.85 -1.32 -1.73 115.31 120.01 1xp0 h LEU 843 Ca 0.05 -0.14 0.04 0.00 0.84 0.00 0.00 57.88 58.67 1xp0 h LEU 843 Cb 0.38 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.26 1xp0 h LEU 843 CO 0.01 0.44 0.00 -0.78 -0.34 0.00 0.00 178.44 177.77 1xp0 h ASP 844 N 0.36 -0.10 -0.75 1.25 3.58 -1.01 -0.60 116.42 119.15 1xp0 h ASP 844 Ca 0.11 0.06 -0.04 0.00 0.42 0.00 0.00 57.03 57.57 1xp0 h ASP 844 Cb 0.14 0.10 -0.03 0.00 1.72 0.00 0.00 39.33 41.26 1xp0 h ASP 844 CO -0.01 -0.02 0.33 1.23 -2.88 0.00 0.00 179.24 177.89 1xp0 h GLY 845 N 0.08 1.19 1.00 -0.78 0.00 -1.10 -1.19 103.07 102.27 1xp0 h GLY 845 Ca 0.12 -0.62 0.00 0.00 0.00 0.00 0.00 47.33 46.83 1xp0 h GLY 845 CO -0.20 0.59 0.27 0.00 0.00 0.00 0.00 176.54 177.20 1xp0 h ARG 847 N 0.56 0.91 -0.71 0.00 3.08 -0.84 -1.58 114.38 115.80 1xp0 h ARG 847 Ca 0.15 -0.12 -0.03 0.00 0.07 0.00 0.00 59.98 60.04 1xp0 h ARG 847 Cb -0.05 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 29.80 1xp0 h ARG 847 CO -0.03 0.71 0.31 0.87 -1.07 0.00 0.00 179.97 180.76 1xp0 h LYS 848 N 0.88 1.05 -0.16 0.04 1.57 -1.01 -2.52 116.57 116.43 1xp0 h LYS 848 Ca 0.22 -0.18 -0.11 0.00 -1.87 0.00 0.00 60.65 58.72 1xp0 h LYS 848 Cb 0.09 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 1xp0 h LYS 848 CO -0.03 0.85 -0.38 -0.91 -0.57 0.00 0.00 179.45 178.41 1xp0 h ASN 849 N 1.01 0.36 -0.88 0.86 2.35 -1.08 -2.51 115.58 115.69 1xp0 h ASN 849 Ca 0.24 -0.15 -0.02 0.00 -0.55 0.00 0.00 56.30 55.83 1xp0 h ASN 849 Cb 0.17 -0.10 -0.04 0.00 0.05 0.00 0.00 38.32 38.40 1xp0 h ASN 849 CO -0.02 0.71 0.47 -0.09 -1.65 0.00 0.00 177.43 176.85 1xp0 h ARG 850 N 0.29 1.23 -0.64 0.81 2.43 -0.95 -1.42 114.38 116.13 1xp0 h ARG 850 Ca 0.03 -0.15 -0.07 0.00 -0.81 0.00 0.00 59.98 58.98 1xp0 h ARG 850 Cb 0.81 -0.24 -0.03 0.00 -0.42 0.00 0.00 29.97 30.09 1xp0 h ARG 850 CO 0.06 0.91 0.12 1.96 -1.51 0.00 0.00 179.97 181.51 1xp0 h GLN 851 N 1.23 1.03 -0.33 0.20 4.20 -1.08 -1.01 115.11 119.34 1xp0 h GLN 851 Ca 0.31 -0.25 -0.16 0.00 0.06 0.00 0.00 58.65 58.61 1xp0 h GLN 851 Cb 0.04 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 27.68 1xp0 h GLN 851 CO -0.05 0.93 -0.42 0.87 -0.67 0.00 0.00 178.83 179.49 1xp0 h LYS 852 N 0.97 0.87 -0.33 1.46 1.79 -1.10 -2.31 116.57 117.93 1xp0 h LYS 852 Ca 0.20 -0.49 -0.17 0.00 -2.18 0.00 0.00 60.65 58.00 1xp0 h LYS 852 Cb 0.39 0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 31.07 1xp0 h LYS 852 CO 0.01 1.14 -0.47 -1.49 -1.08 0.00 0.00 179.45 177.55 1xp0 h TRP 853 N 0.66 1.09 -0.45 -1.35 -0.00 -1.19 -2.80 115.95 111.90 1xp0 h TRP 853 Ca 0.04 -0.36 -0.05 0.00 -0.00 0.00 0.00 58.89 58.52 1xp0 h TRP 853 Cb 1.02 -0.22 -0.02 0.00 -0.00 0.00 0.00 29.16 29.94 1xp0 h TRP 853 CO 0.07 1.18 0.05 0.37 -0.00 0.00 0.00 178.44 180.11 1xp0 h GLN 854 N 0.70 0.70 -0.71 0.49 5.75 -1.19 -1.75 115.11 119.09 1xp0 h GLN 854 Ca 0.04 -0.15 -0.05 0.00 -0.15 0.00 0.00 58.65 58.33 1xp0 h GLN 854 Cb 1.07 -0.10 -0.03 0.00 1.07 0.00 0.00 27.48 29.49 1xp0 h GLN 854 CO 0.11 0.68 0.25 0.00 -2.65 0.00 0.00 178.83 177.22 1xp0 h ALA 855 N 1.39 1.10 0.00 3.38 0.00 -1.35 -2.61 119.26 121.17 1xp0 h ALA 855 Ca 0.14 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1xp0 h ALA 855 Cb 0.34 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1xp0 h ALA 855 CO 0.01 0.63 0.00 1.28 0.00 0.00 0.00 179.25 181.16 1xp0 n LEU 856 N -4.27 0.55 -0.64 0.00 4.77 -0.89 -3.62 117.00 112.89 1xp0 n LEU 856 Ca 0.06 0.56 0.10 0.00 -0.03 0.00 0.00 56.01 56.70 1xp0 n LEU 856 Cb 0.20 -0.40 0.33 0.00 -2.33 0.00 0.00 43.42 41.23 1xp0 n LEU 856 CO 0.41 -0.16 0.75 0.00 -1.33 0.00 0.00 177.39 177.06 1xp0 n ALA 857 N -1.69 2.50 0.44 -1.18 0.00 -0.71 -4.90 120.51 114.96 1xp0 n ALA 857 Ca 0.06 -0.59 0.05 0.00 0.00 0.00 0.00 53.44 52.95 1xp0 n ALA 857 Cb 0.38 -1.05 0.04 0.00 0.00 0.00 0.00 19.45 18.83 1xp0 n ALA 857 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89