#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p93 n LEU 528 N 0.00 -3.39 0.00 2.61 7.99 -1.26 -4.71 117.00 118.24 1p93 n LEU 528 Ca 0.00 -0.51 0.07 0.00 -0.01 0.00 0.00 56.01 55.56 1p93 n LEU 528 Cb 0.00 -2.86 -0.02 0.00 -0.11 0.00 0.00 43.42 40.44 1p93 n LEU 528 CO 0.00 0.57 -0.10 0.35 -1.51 0.00 0.00 177.39 176.70 1p93 n THR 529 N -4.68 0.00 -1.64 -5.08 -2.24 -1.26 -4.83 114.28 94.55 1p93 n THR 529 Ca -0.03 0.00 -0.63 0.00 -2.27 0.00 0.00 64.05 61.12 1p93 n THR 529 Cb 0.57 -0.18 -0.09 0.00 -2.10 0.00 0.00 70.33 68.53 1p93 n THR 529 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 1p93 n PRO 530 N -2.21 0.19 -2.81 -0.78 -0.01 -1.26 -4.90 135.00 123.22 1p93 n PRO 530 Ca 0.00 0.07 -0.35 0.00 -0.01 0.00 0.00 63.50 63.21 1p93 n PRO 530 Cb 0.24 -1.60 -0.07 0.00 -0.01 0.00 0.00 33.50 32.07 1p93 n PRO 530 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 175.50 176.48 1p93 s THR 531 N 1.76 4.31 0.33 3.45 2.01 -1.26 -4.94 115.64 121.31 1p93 s THR 531 Ca 0.98 1.64 0.25 0.00 0.31 0.00 0.00 61.69 64.87 1p93 s THR 531 Cb -1.34 -3.80 0.26 0.00 0.01 0.00 0.00 72.50 67.63 1p93 s THR 531 CO 0.69 -0.09 1.98 0.25 -0.69 0.00 0.00 174.62 176.76 1p93 h LEU 532 N 2.55 0.00 0.25 4.42 5.85 -1.97 -2.53 115.31 123.88 1p93 h LEU 532 Ca -0.48 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.23 1p93 h LEU 532 Cb 1.19 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.22 1p93 h LEU 532 CO 0.63 0.18 -0.12 0.58 -0.34 0.00 0.00 178.44 179.36 1p93 h VAL 533 N 0.00 0.00 0.00 1.05 2.07 -1.94 -3.05 116.25 114.38 1p93 h VAL 533 Ca -0.00 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.14 1p93 h VAL 533 Cb 0.49 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 1p93 h VAL 533 CO 0.02 0.00 0.14 -1.54 0.02 0.00 0.00 177.57 176.22 1p93 n SER 534 N -3.97 0.00 -0.00 0.57 3.41 -1.18 -1.92 113.62 110.52 1p93 n SER 534 Ca -0.04 0.19 -0.00 0.00 -0.26 0.00 0.00 58.87 58.76 1p93 n SER 534 Cb 0.13 -0.19 -0.00 0.00 -0.26 0.00 0.00 64.21 63.89 1p93 n SER 534 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1p93 h LEU 535 N 0.00 0.00 -1.67 1.04 5.85 -1.35 -3.32 115.31 115.86 1p93 h LEU 535 Ca 0.00 0.00 0.26 0.00 0.84 0.00 0.00 57.88 58.98 1p93 h LEU 535 Cb 0.29 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.28 1p93 h LEU 535 CO 0.00 0.02 0.86 -0.07 -0.34 0.00 0.00 178.44 178.90 1p93 h LEU 536 N -0.03 0.00 -0.74 2.25 3.38 -1.28 1.02 115.31 119.91 1p93 h LEU 536 Ca 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1p93 h LEU 536 Cb 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1p93 h LEU 536 CO 0.00 0.00 0.28 -0.08 0.09 0.00 0.00 178.44 178.73 1p93 h GLU 537 N 0.00 1.12 0.00 1.13 4.81 -1.64 0.71 114.58 120.71 1p93 h GLU 537 Ca 0.42 -0.21 -0.09 0.00 -0.13 0.00 0.00 59.36 59.35 1p93 h GLU 537 Cb 2.13 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 31.31 1p93 h GLU 537 CO -0.00 0.93 -1.18 -0.39 -0.73 0.00 0.00 179.01 177.63 1p93 h VAL 538 N 1.08 0.27 -0.00 0.32 -1.51 0.90 -3.24 116.25 114.07 1p93 h VAL 538 Ca 0.25 -1.54 0.00 0.00 -1.23 0.00 0.00 66.70 64.18 1p93 h VAL 538 Cb 0.24 1.80 0.00 0.00 -2.13 0.00 0.00 31.29 31.20 1p93 h VAL 538 CO -0.02 0.16 -0.25 2.30 -1.23 0.00 0.00 177.57 178.53 1p93 n ILE 539 N -2.81 0.00 -1.91 7.19 -5.35 -0.04 -4.84 119.36 111.60 1p93 n ILE 539 Ca -0.05 -0.00 -0.42 0.00 -0.27 0.00 0.00 62.75 62.01 1p93 n ILE 539 Cb 0.70 -0.12 -0.03 0.00 -1.74 0.00 0.00 39.64 38.45 1p93 n ILE 539 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 1p93 s GLU 540 N -2.97 4.19 1.13 6.28 2.56 0.25 -4.82 118.70 125.31 1p93 s GLU 540 Ca 0.13 2.35 -0.12 0.00 0.00 0.00 0.00 54.97 57.33 1p93 s GLU 540 Cb 0.18 -3.59 0.26 0.00 2.00 0.00 0.00 34.13 32.99 1p93 s GLU 540 CO 0.61 -0.74 1.05 -1.25 -0.56 0.00 0.00 175.26 174.36 1p93 s PRO 541 N 2.61 -0.65 -0.22 4.30 0.04 -1.26 -5.00 135.00 134.83 1p93 s PRO 541 Ca 0.74 0.95 -0.04 0.00 0.04 0.00 0.00 61.00 62.69 1p93 s PRO 541 Cb -0.40 -1.58 -0.01 0.00 0.04 0.00 0.00 34.50 32.55 1p93 s PRO 541 CO 0.33 -3.57 -0.04 -1.21 0.04 0.00 0.00 177.00 172.54 1p93 s GLU 542 N -4.49 3.39 0.12 4.56 2.02 -1.26 -5.07 118.70 117.96 1p93 s GLU 542 Ca 0.68 -0.62 -0.12 0.00 0.02 0.00 0.00 54.97 54.93 1p93 s GLU 542 Cb -0.25 -3.00 -0.08 0.00 0.10 0.00 0.00 34.13 30.91 1p93 s GLU 542 CO 0.64 -0.17 0.20 1.33 0.02 0.00 0.00 175.26 177.27 1p93 n VAL 543 N 4.72 0.79 -4.06 2.63 0.24 -1.26 -4.98 118.33 116.40 1p93 n VAL 543 Ca -0.18 -0.24 -0.22 0.00 -2.04 0.00 0.00 64.34 61.66 1p93 n VAL 543 Cb 0.51 0.00 -0.05 0.00 -1.47 0.00 0.00 33.84 32.83 1p93 n VAL 543 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1p93 s LEU 544 N 1.56 3.62 -0.16 1.34 1.43 -1.26 -5.04 118.68 120.17 1p93 s LEU 544 Ca 0.30 -0.41 -0.07 0.00 -1.03 0.00 0.00 54.13 52.91 1p93 s LEU 544 Cb -0.41 -2.17 -0.04 0.00 0.03 0.00 0.00 46.19 43.60 1p93 s LEU 544 CO 0.27 -0.14 0.09 -0.31 0.23 0.00 0.00 176.35 176.49 1p93 s TYR 545 N -2.23 3.35 0.13 0.29 2.02 -1.26 -4.12 117.35 115.53 1p93 s TYR 545 Ca 0.35 0.24 -0.23 0.00 -0.37 0.00 0.00 57.07 57.07 1p93 s TYR 545 Cb -0.07 -2.03 -0.02 0.00 -0.40 0.00 0.00 41.96 39.44 1p93 s TYR 545 CO 0.24 0.35 1.66 0.00 -1.57 0.00 0.00 175.55 176.23 1p93 h ALA 546 N 6.14 -0.10 0.00 3.71 0.00 -1.93 -3.46 119.26 123.62 1p93 h ALA 546 Ca -0.43 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1p93 h ALA 546 Cb 1.18 0.33 0.00 0.00 0.00 0.00 0.00 17.79 19.30 1p93 h ALA 546 CO 0.67 -0.62 0.00 0.41 0.00 0.00 0.00 179.25 179.71 1p93 n GLY 547 N -1.31 0.92 3.77 0.00 0.00 -1.26 -4.83 105.19 102.48 1p93 n GLY 547 Ca -0.03 -0.33 -0.36 0.00 0.00 0.00 0.00 46.02 45.30 1p93 n GLY 547 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1p93 s TYR 548 N -2.00 2.72 -0.04 1.61 6.14 -1.26 -4.98 117.35 119.54 1p93 s TYR 548 Ca 0.00 1.53 0.12 0.00 0.64 0.00 0.00 57.07 59.36 1p93 s TYR 548 Cb 0.00 -3.37 -0.13 0.00 0.42 0.00 0.00 41.96 38.88 1p93 s TYR 548 CO 0.00 -1.66 1.08 0.22 0.64 0.00 0.00 175.55 175.83 1p93 h ASP 549 N 1.55 0.00 0.00 4.32 1.82 -1.97 -3.48 116.42 118.67 1p93 h ASP 549 Ca -0.50 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.14 1p93 h ASP 549 Cb 1.26 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.27 1p93 h ASP 549 CO 0.58 0.78 0.00 -1.54 -1.61 0.00 0.00 179.24 177.46 1p93 n SER 550 N -3.15 0.00 -0.01 2.28 3.41 -1.26 -4.35 113.62 110.54 1p93 n SER 550 Ca -0.05 0.00 -0.00 0.00 -0.26 0.00 0.00 58.87 58.55 1p93 n SER 550 Cb 0.89 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.84 1p93 n SER 550 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1p93 n SER 551 N 1.18 -0.02 -4.64 4.04 7.64 -1.26 -3.84 113.62 116.71 1p93 n SER 551 Ca 0.00 0.05 -0.42 0.00 1.01 0.00 0.00 58.87 59.50 1p93 n SER 551 Cb 0.00 -0.01 -0.03 0.00 -1.01 0.00 0.00 64.21 63.16 1p93 n SER 551 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1p93 s VAL 552 N -4.48 3.02 0.10 0.44 1.01 -1.26 -4.79 120.40 114.44 1p93 s VAL 552 Ca -0.00 0.03 -0.10 0.00 0.00 0.00 0.00 61.98 61.90 1p93 s VAL 552 Cb 0.00 -3.02 -0.06 0.00 0.00 0.00 0.00 36.38 33.30 1p93 s VAL 552 CO 0.01 -0.01 0.16 -2.65 0.00 0.00 0.00 175.10 172.62 1p93 n PRO 553 N 7.98 0.00 -1.83 2.72 -0.02 -1.25 -4.76 135.00 137.84 1p93 n PRO 553 Ca 0.23 0.00 -0.39 0.00 -2.02 0.00 0.00 63.50 61.33 1p93 n PRO 553 Cb 0.43 -0.38 0.03 0.00 -0.02 0.00 0.00 33.50 33.55 1p93 n PRO 553 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1p93 s ASP 554 N -0.38 5.51 -0.04 2.55 1.01 -1.26 -5.03 116.67 119.03 1p93 s ASP 554 Ca 0.24 2.77 0.03 0.00 0.71 0.00 0.00 52.55 56.29 1p93 s ASP 554 Cb -0.33 -2.64 0.01 0.00 1.01 0.00 0.00 42.92 40.97 1p93 s ASP 554 CO 0.22 -1.41 -0.10 -0.55 0.21 0.00 0.00 175.17 173.54 1p93 s SER 555 N -0.87 1.45 0.01 0.27 0.15 -1.26 -5.07 113.70 108.38 1p93 s SER 555 Ca 0.68 -0.23 -0.05 0.00 0.70 0.00 0.00 55.95 57.05 1p93 s SER 555 Cb -0.40 -0.49 -0.02 0.00 -1.71 0.00 0.00 66.02 63.40 1p93 s SER 555 CO 0.49 0.06 1.07 0.74 1.20 0.00 0.00 173.24 176.80 1p93 h THR 556 N 5.58 0.00 -0.38 6.45 2.02 -1.96 -2.49 112.91 122.13 1p93 h THR 556 Ca -0.33 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 66.83 1p93 h THR 556 Cb 1.17 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.56 1p93 h THR 556 CO 0.48 0.00 0.17 4.11 0.37 0.00 0.00 175.52 180.65 1p93 h TRP 557 N -0.09 0.51 -0.76 3.16 5.08 -1.93 -1.39 115.95 120.53 1p93 h TRP 557 Ca 0.00 -0.01 0.22 0.00 1.08 0.00 0.00 58.89 60.18 1p93 h TRP 557 Cb 0.10 -0.16 -0.03 0.00 -3.00 0.00 0.00 29.16 26.06 1p93 h TRP 557 CO -0.38 0.39 0.60 -0.09 -1.28 0.00 0.00 178.44 177.68 1p93 h ARG 558 N 0.52 0.00 0.00 0.12 2.43 -1.84 0.50 114.38 116.12 1p93 h ARG 558 Ca 0.13 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.23 1p93 h ARG 558 Cb 0.07 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 1p93 h ARG 558 CO -0.02 0.00 -0.52 0.82 -1.51 0.00 0.00 179.97 178.75 1p93 h ILE 559 N 0.00 0.69 -0.30 1.20 2.04 -0.85 -3.11 117.51 117.18 1p93 h ILE 559 Ca 0.36 -1.66 0.07 0.00 1.00 0.00 0.00 64.86 64.63 1p93 h ILE 559 Cb 1.56 1.44 -0.08 0.00 -0.74 0.00 0.00 36.82 39.00 1p93 h ILE 559 CO -0.00 0.23 -0.25 0.24 0.00 0.00 0.00 178.15 178.37 1p93 h MET 560 N -1.00 -0.21 -0.01 2.37 2.86 -0.75 0.95 114.93 119.13 1p93 h MET 560 Ca -0.11 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.55 1p93 h MET 560 Cb 0.76 0.05 -0.00 0.00 0.06 0.00 0.00 31.60 32.46 1p93 h MET 560 CO -0.06 -0.14 0.02 1.15 1.06 0.00 0.00 176.91 178.93 1p93 h THR 561 N -0.22 0.36 0.00 2.22 2.02 -0.22 0.97 112.91 118.04 1p93 h THR 561 Ca 0.16 0.00 -0.17 0.00 0.77 0.00 0.00 66.41 67.17 1p93 h THR 561 Cb 0.47 0.99 -0.03 0.00 -1.74 0.00 0.00 68.15 67.84 1p93 h THR 561 CO -0.43 0.00 -0.99 0.74 0.37 0.00 0.00 175.52 175.20 1p93 h THR 562 N 0.00 0.95 -0.03 3.16 2.02 0.72 -3.12 112.91 116.61 1p93 h THR 562 Ca 0.00 -2.47 -0.03 0.00 0.77 0.00 0.00 66.41 64.68 1p93 h THR 562 Cb 0.04 2.41 0.00 0.00 -1.74 0.00 0.00 68.15 68.85 1p93 h THR 562 CO -0.00 0.54 -0.09 -0.07 0.37 0.00 0.00 175.52 176.27 1p93 h LEU 563 N 0.00 0.13 -0.47 2.58 3.38 0.24 -3.10 115.31 118.06 1p93 h LEU 563 Ca -0.08 -0.63 0.09 0.00 0.09 0.00 0.00 57.88 57.36 1p93 h LEU 563 Cb 1.59 -0.04 -0.09 0.00 0.09 0.00 0.00 40.66 42.22 1p93 h LEU 563 CO 0.08 0.73 -0.10 0.78 0.09 0.00 0.00 178.44 180.01 1p93 h ASN 564 N -0.47 -0.41 -0.61 -0.43 2.35 -1.31 1.39 115.58 116.09 1p93 h ASN 564 Ca -0.00 0.14 0.08 0.00 -0.55 0.00 0.00 56.30 55.96 1p93 h ASN 564 Cb 0.72 0.28 -0.06 0.00 0.05 0.00 0.00 38.32 39.31 1p93 h ASN 564 CO 0.02 -0.15 0.27 0.24 -1.65 0.00 0.00 177.43 176.17 1p93 h MET 565 N 0.01 0.48 -0.56 0.81 2.86 -1.63 -0.29 114.93 116.62 1p93 h MET 565 Ca 0.23 -0.03 -0.09 0.00 -2.06 0.00 0.00 59.70 57.75 1p93 h MET 565 Cb 0.35 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.88 1p93 h MET 565 CO -0.48 0.32 -0.03 1.25 1.06 0.00 0.00 176.91 179.03 1p93 h LEU 566 N 0.49 0.96 -0.00 1.22 5.85 -0.90 -3.23 115.31 119.70 1p93 h LEU 566 Ca 0.29 -0.27 0.02 0.00 0.84 0.00 0.00 57.88 58.75 1p93 h LEU 566 Cb 0.29 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 41.02 1p93 h LEU 566 CO -0.25 1.03 -0.44 1.23 -0.34 0.00 0.00 178.44 179.68 1p93 h GLY 567 N 0.99 -1.18 -0.82 3.75 0.00 0.35 -1.72 103.07 104.44 1p93 h GLY 567 Ca 0.16 0.65 0.39 0.00 0.00 0.00 0.00 47.33 48.53 1p93 h GLY 567 CO 0.03 -0.29 0.83 -1.33 0.00 0.00 0.00 176.54 175.78 1p93 h GLY 568 N -0.55 1.12 0.92 4.60 0.00 -1.44 0.18 103.07 107.90 1p93 h GLY 568 Ca 0.01 -0.12 -0.13 0.00 0.00 0.00 0.00 47.33 47.08 1p93 h GLY 568 CO -0.29 -0.28 -0.40 3.21 0.00 0.00 0.00 176.54 178.78 1p93 h ARG 569 N 0.16 0.60 -0.39 4.80 3.08 -1.40 0.47 114.38 121.70 1p93 h ARG 569 Ca 0.74 -0.40 -0.02 0.00 0.07 0.00 0.00 59.98 60.38 1p93 h ARG 569 Cb 2.31 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 32.40 1p93 h ARG 569 CO -0.34 1.01 0.19 1.96 -1.07 0.00 0.00 179.97 181.73 1p93 h GLN 570 N 0.27 0.57 0.15 0.04 4.20 -0.21 0.69 115.11 120.82 1p93 h GLN 570 Ca 0.00 -0.09 -0.00 0.00 0.06 0.00 0.00 58.65 58.62 1p93 h GLN 570 Cb 1.01 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.67 1p93 h GLN 570 CO 0.09 0.50 -0.21 0.28 -0.67 0.00 0.00 178.83 178.83 1p93 h VAL 571 N 0.50 0.00 -0.78 -0.54 2.07 -0.85 1.05 116.25 117.69 1p93 h VAL 571 Ca 0.14 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.80 1p93 h VAL 571 Cb 0.12 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 29.75 1p93 h VAL 571 CO -0.02 0.00 -0.30 0.40 0.02 0.00 0.00 177.57 177.68 1p93 h ILE 572 N -0.37 0.13 -0.17 4.57 2.04 -0.68 1.81 117.51 124.84 1p93 h ILE 572 Ca -0.02 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.89 1p93 h ILE 572 Cb 0.33 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.54 1p93 h ILE 572 CO -0.06 0.00 0.15 0.00 0.00 0.00 0.00 178.15 178.24 1p93 h ALA 573 N 1.42 1.98 -0.13 1.87 0.00 0.12 -1.54 119.26 122.97 1p93 h ALA 573 Ca 0.33 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.15 1p93 h ALA 573 Cb 0.58 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1p93 h ALA 573 CO -0.82 -0.24 -0.25 0.00 0.00 0.00 0.00 179.25 177.94 1p93 h ALA 574 N 1.87 0.21 -0.08 0.00 0.00 1.12 -2.25 119.26 120.12 1p93 h ALA 574 Ca 0.08 -0.39 0.04 0.00 0.00 0.00 0.00 54.91 54.65 1p93 h ALA 574 Cb 0.38 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.08 1p93 h ALA 574 CO -0.00 0.18 -0.30 0.28 0.00 0.00 0.00 179.25 179.41 1p93 h VAL 575 N -0.01 0.32 -0.94 0.00 2.07 -0.00 0.57 116.25 118.26 1p93 h VAL 575 Ca 0.01 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.70 1p93 h VAL 575 Cb 0.83 0.32 -0.08 0.00 -1.52 0.00 0.00 31.29 30.84 1p93 h VAL 575 CO 0.06 0.00 0.60 0.50 0.02 0.00 0.00 177.57 178.74 1p93 h LYS 576 N -0.40 0.64 -0.27 1.57 3.64 -1.50 0.32 116.57 120.57 1p93 h LYS 576 Ca 0.08 -0.04 -0.10 0.00 -1.27 0.00 0.00 60.65 59.33 1p93 h LYS 576 Cb 0.53 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 1p93 h LYS 576 CO -0.31 0.43 -0.24 2.35 -2.27 0.00 0.00 179.45 179.40 1p93 h TRP 577 N 0.66 0.58 0.30 1.91 7.01 -0.10 -2.73 115.95 123.59 1p93 h TRP 577 Ca 0.50 -0.12 -0.01 0.00 2.11 0.00 0.00 58.89 61.36 1p93 h TRP 577 Cb 0.88 -0.14 0.00 0.00 -2.10 0.00 0.00 29.16 27.80 1p93 h TRP 577 CO -0.00 0.72 -0.15 0.00 -2.79 0.00 0.00 178.44 176.22 1p93 h ALA 578 N 1.28 -0.41 -0.98 2.65 0.00 0.37 -3.05 119.26 119.13 1p93 h ALA 578 Ca 0.07 -0.16 0.28 0.00 0.00 0.00 0.00 54.91 55.10 1p93 h ALA 578 Cb 0.67 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.58 1p93 h ALA 578 CO 0.05 -0.42 0.70 0.87 0.00 0.00 0.00 179.25 180.45 1p93 h LYS 579 N -1.02 0.03 0.00 0.00 1.57 -1.10 0.62 116.57 116.66 1p93 h LYS 579 Ca -0.04 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1p93 h LYS 579 Cb 0.45 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.75 1p93 h LYS 579 CO 0.07 0.02 0.00 0.00 -0.57 0.00 0.00 179.45 178.97 1p93 n ALA 580 N -2.71 2.20 -2.77 3.86 0.00 -1.03 -4.40 120.51 115.66 1p93 n ALA 580 Ca 0.21 -0.10 -0.34 0.00 0.00 0.00 0.00 53.44 53.20 1p93 n ALA 580 Cb 1.03 -1.27 -0.05 0.00 0.00 0.00 0.00 19.45 19.16 1p93 n ALA 580 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1p93 s ILE 581 N -2.00 5.30 0.01 0.00 1.01 0.22 -5.00 121.20 120.73 1p93 s ILE 581 Ca 0.25 0.10 -0.30 0.00 0.00 0.00 0.00 60.65 60.70 1p93 s ILE 581 Cb 0.11 -3.58 -0.08 0.00 0.01 0.00 0.00 42.46 38.93 1p93 s ILE 581 CO 0.19 0.31 1.87 -2.84 0.00 0.00 0.00 174.94 174.47 1p93 s PRO 582 N -1.93 4.15 0.00 2.79 0.02 -1.26 -2.51 135.00 136.26 1p93 s PRO 582 Ca 0.30 2.48 0.00 0.00 0.02 0.00 0.00 61.00 63.80 1p93 s PRO 582 Cb -0.13 -4.10 0.00 0.00 0.02 0.00 0.00 34.50 30.28 1p93 s PRO 582 CO 0.18 -0.92 0.00 0.41 -0.33 0.00 0.00 177.00 176.34 1p93 n GLY 583 N 4.41 3.25 0.24 0.52 0.00 -1.26 -4.92 105.19 107.43 1p93 n GLY 583 Ca 0.19 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.06 1p93 n GLY 583 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1p93 h PHE 584 N 0.00 -0.51 -0.20 1.61 3.57 -1.79 -1.65 116.94 117.97 1p93 h PHE 584 Ca 0.00 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.55 1p93 h PHE 584 Cb 0.00 0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.90 1p93 h PHE 584 CO 0.00 -0.27 0.22 0.00 -2.23 0.00 0.00 178.31 176.04 1p93 h ARG 585 N -0.63 0.00 -0.40 1.11 3.08 -1.77 -1.87 114.38 113.90 1p93 h ARG 585 Ca -0.06 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.86 1p93 h ARG 585 Cb 0.47 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.51 1p93 h ARG 585 CO 0.09 0.00 -0.27 -0.91 -1.07 0.00 0.00 179.97 177.81 1p93 h ASN 586 N 0.00 0.93 -3.54 7.04 -0.26 -1.67 -3.45 115.58 114.63 1p93 h ASN 586 Ca 0.10 -0.43 -0.54 0.00 -0.56 0.00 0.00 56.30 54.86 1p93 h ASN 586 Cb 0.54 -0.26 0.20 0.00 -1.06 0.00 0.00 38.32 37.74 1p93 h ASN 586 CO -0.00 1.16 -0.28 0.18 -1.06 0.00 0.00 177.43 177.43 1p93 n LEU 587 N -4.16 1.32 -4.74 1.61 4.77 -0.70 -4.84 117.00 110.25 1p93 n LEU 587 Ca -0.02 0.48 -0.42 0.00 -0.03 0.00 0.00 56.01 56.03 1p93 n LEU 587 Cb 0.48 -1.29 -0.02 0.00 -2.33 0.00 0.00 43.42 40.26 1p93 n LEU 587 CO 0.46 -2.96 1.17 -2.28 -1.33 0.00 0.00 177.39 172.45 1p93 s HIS 588 N -2.17 2.94 0.27 -1.77 5.65 -1.26 -4.76 115.29 114.19 1p93 s HIS 588 Ca 0.64 0.88 -0.00 0.00 0.25 0.00 0.00 55.06 56.82 1p93 s HIS 588 Cb -0.28 -3.92 0.59 0.00 -1.18 0.00 0.00 32.58 27.79 1p93 s HIS 588 CO 0.60 -3.10 1.70 1.25 -0.65 0.00 0.00 174.74 174.54 1p93 h LEU 589 N 5.29 0.24 -2.49 8.88 6.46 -1.88 0.41 115.31 132.21 1p93 h LEU 589 Ca -0.46 0.14 -0.00 0.00 -0.12 0.00 0.00 57.88 57.44 1p93 h LEU 589 Cb 1.22 0.14 -0.00 0.00 -0.73 0.00 0.00 40.66 41.28 1p93 h LEU 589 CO 0.81 0.02 -0.02 0.44 -0.62 0.00 0.00 178.44 179.07 1p93 h ASP 590 N 0.39 0.00 0.22 1.25 3.32 -1.98 0.69 116.42 120.31 1p93 h ASP 590 Ca 0.49 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.53 1p93 h ASP 590 Cb 0.86 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.41 1p93 h ASP 590 CO -0.49 0.02 -0.11 0.44 -1.72 0.00 0.00 179.24 177.37 1p93 h ASP 591 N 0.00 -0.26 -1.02 6.45 3.32 -0.56 -2.71 116.42 121.64 1p93 h ASP 591 Ca -0.00 -0.01 0.27 0.00 0.02 0.00 0.00 57.03 57.31 1p93 h ASP 591 Cb 0.05 0.07 -0.13 0.00 0.22 0.00 0.00 39.33 39.54 1p93 h ASP 591 CO 0.00 0.21 0.61 1.56 -1.72 0.00 0.00 179.24 179.90 1p93 h GLN 592 N -1.08 0.46 -0.71 3.56 4.20 -0.64 0.96 115.11 121.87 1p93 h GLN 592 Ca -0.03 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.63 1p93 h GLN 592 Cb 0.25 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.89 1p93 h GLN 592 CO 0.05 0.31 0.35 1.98 -0.67 0.00 0.00 178.83 180.84 1p93 h MET 593 N 0.48 1.01 0.14 1.46 4.05 0.37 -3.12 114.93 119.31 1p93 h MET 593 Ca 0.67 -0.13 -0.34 0.00 -0.28 0.00 0.00 59.70 59.61 1p93 h MET 593 Cb 1.42 -0.19 -0.01 0.00 -0.80 0.00 0.00 31.60 32.02 1p93 h MET 593 CO -0.48 0.77 -1.78 1.79 0.23 0.00 0.00 176.91 177.44 1p93 h THR 594 N 1.00 0.87 -0.20 -0.77 1.35 -0.53 -3.20 112.91 111.44 1p93 h THR 594 Ca 0.25 -2.54 0.03 0.00 -0.55 0.00 0.00 66.41 63.60 1p93 h THR 594 Cb 0.09 2.65 -0.07 0.00 -1.73 0.00 0.00 68.15 69.10 1p93 h THR 594 CO -0.03 0.83 -0.54 -0.07 -0.25 0.00 0.00 175.52 175.46 1p93 h LEU 595 N 0.08 -1.73 -0.25 3.87 3.38 -1.25 0.35 115.31 119.77 1p93 h LEU 595 Ca -0.34 0.21 0.06 0.00 0.09 0.00 0.00 57.88 57.90 1p93 h LEU 595 Cb 2.05 0.68 -0.06 0.00 0.09 0.00 0.00 40.66 43.42 1p93 h LEU 595 CO 0.14 -0.45 -0.18 -0.07 0.09 0.00 0.00 178.44 177.96 1p93 h LEU 596 N -0.53 -0.59 -0.98 1.67 3.38 -1.72 -1.12 115.31 115.42 1p93 h LEU 596 Ca 0.04 0.12 0.41 0.00 0.09 0.00 0.00 57.88 58.54 1p93 h LEU 596 Cb 0.64 0.30 -0.18 0.00 0.09 0.00 0.00 40.66 41.51 1p93 h LEU 596 CO -0.47 -0.22 0.53 0.00 0.09 0.00 0.00 178.44 178.37 1p93 n GLN 597 N -5.34 -0.06 0.00 1.13 6.02 -0.09 -1.48 117.38 117.56 1p93 n GLN 597 Ca -0.01 1.36 0.00 0.00 -0.01 0.00 0.00 57.00 58.34 1p93 n GLN 597 Cb 0.25 -2.44 0.00 0.00 1.02 0.00 0.00 30.24 29.07 1p93 n GLN 597 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1p93 n TYR 598 N -5.23 0.00 0.66 1.08 0.53 -0.08 -4.40 117.16 109.72 1p93 n TYR 598 Ca 0.37 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 57.25 1p93 n TYR 598 Cb 1.26 -0.42 0.00 0.00 -1.03 0.00 0.00 39.34 39.15 1p93 n TYR 598 CO 0.00 0.00 0.00 -1.13 -1.02 0.00 0.00 176.86 174.71 1p93 n SER 599 N -1.76 1.16 -0.06 7.72 3.41 -0.90 -3.97 113.62 119.22 1p93 n SER 599 Ca 0.00 -1.33 -0.13 0.00 -0.26 0.00 0.00 58.87 57.15 1p93 n SER 599 Cb 0.00 -0.33 -0.07 0.00 -0.26 0.00 0.00 64.21 63.55 1p93 n SER 599 CO 0.00 0.00 0.00 4.11 -0.16 0.00 0.00 175.04 178.99 1p93 h TRP 600 N 0.46 0.52 0.53 7.33 5.08 -1.47 -1.66 115.95 126.76 1p93 h TRP 600 Ca 0.00 -0.17 -0.02 0.00 1.08 0.00 0.00 58.89 59.79 1p93 h TRP 600 Cb 0.46 -0.11 -0.02 0.00 -3.00 0.00 0.00 29.16 26.49 1p93 h TRP 600 CO 0.00 0.83 -0.45 1.98 -1.28 0.00 0.00 178.44 179.53 1p93 h MET 601 N 0.07 -0.93 -0.95 0.12 4.05 -1.87 0.50 114.93 115.91 1p93 h MET 601 Ca 0.02 0.06 0.27 0.00 -0.28 0.00 0.00 59.70 59.77 1p93 h MET 601 Cb 0.76 0.21 -0.14 0.00 -0.80 0.00 0.00 31.60 31.64 1p93 h MET 601 CO 0.05 -0.62 0.45 1.03 0.23 0.00 0.00 176.91 178.05 1p93 h SER 602 N -0.97 0.37 0.39 1.39 0.87 -1.82 0.18 113.55 113.97 1p93 h SER 602 Ca -0.06 0.18 -0.23 0.00 -1.23 0.00 0.00 61.79 60.44 1p93 h SER 602 Cb 0.82 0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.94 1p93 h SER 602 CO -0.01 -0.07 -1.00 -0.07 -0.53 0.00 0.00 176.83 175.14 1p93 h LEU 603 N 0.35 0.51 -1.01 2.23 3.38 -0.88 -2.40 115.31 117.50 1p93 h LEU 603 Ca 0.64 -0.43 -0.07 0.00 0.09 0.00 0.00 57.88 58.11 1p93 h LEU 603 Cb 1.33 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.90 1p93 h LEU 603 CO -0.58 1.25 -0.02 0.24 0.09 0.00 0.00 178.44 179.42 1p93 h MET 604 N 0.20 0.69 0.10 1.13 2.86 0.15 -2.64 114.93 117.42 1p93 h MET 604 Ca -0.09 -0.18 -0.27 0.00 -2.06 0.00 0.00 59.70 57.10 1p93 h MET 604 Cb 1.65 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 33.22 1p93 h MET 604 CO 0.17 0.72 -1.30 0.00 1.06 0.00 0.00 176.91 177.56 1p93 h ALA 605 N 1.33 0.20 -0.32 6.32 0.00 -1.00 -3.15 119.26 122.65 1p93 h ALA 605 Ca 0.13 -0.97 -0.08 0.00 0.00 0.00 0.00 54.91 53.99 1p93 h ALA 605 Cb 0.43 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1p93 h ALA 605 CO 0.02 1.07 -0.13 0.35 0.00 0.00 0.00 179.25 180.56 1p93 h PHE 606 N 0.06 0.75 0.18 0.00 3.57 -1.34 -2.22 116.94 117.93 1p93 h PHE 606 Ca -0.15 -0.18 -0.01 0.00 3.53 0.00 0.00 57.97 61.16 1p93 h PHE 606 Cb 1.96 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 40.53 1p93 h PHE 606 CO 0.05 0.86 -0.09 0.00 -2.23 0.00 0.00 178.31 176.91 1p93 h ALA 607 N 0.77 -0.24 -1.01 2.41 0.00 -1.60 -2.74 119.26 116.85 1p93 h ALA 607 Ca 0.07 -0.06 0.13 0.00 0.00 0.00 0.00 54.91 55.05 1p93 h ALA 607 Cb 0.65 0.09 -0.09 0.00 0.00 0.00 0.00 17.79 18.45 1p93 h ALA 607 CO 0.04 -0.62 0.63 1.25 0.00 0.00 0.00 179.25 180.55 1p93 h LEU 608 N -0.27 0.91 -0.42 0.00 5.85 -1.53 -0.04 115.31 119.81 1p93 h LEU 608 Ca -0.02 0.05 0.05 0.00 0.84 0.00 0.00 57.88 58.80 1p93 h LEU 608 Cb 0.21 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.07 1p93 h LEU 608 CO 0.04 0.47 0.16 1.23 -0.34 0.00 0.00 178.44 179.99 1p93 h GLY 609 N 0.97 0.55 0.13 3.75 0.00 -1.19 -0.15 103.07 107.12 1p93 h GLY 609 Ca 0.51 -0.09 0.01 0.00 0.00 0.00 0.00 47.33 47.76 1p93 h GLY 609 CO -0.28 0.03 -0.47 -0.25 0.00 0.00 0.00 176.54 175.58 1p93 h TRP 610 N 0.33 -1.35 -0.73 5.60 2.91 -0.76 0.21 115.95 122.16 1p93 h TRP 610 Ca 0.19 0.03 0.17 0.00 1.13 0.00 0.00 58.89 60.41 1p93 h TRP 610 Cb 0.17 0.57 -0.12 0.00 -0.51 0.00 0.00 29.16 29.27 1p93 h TRP 610 CO -0.14 -0.53 0.07 0.00 -1.03 0.00 0.00 178.44 176.81 1p93 h ARG 611 N -0.68 0.16 -0.38 2.65 3.08 -0.64 0.36 114.38 118.92 1p93 h ARG 611 Ca -0.01 -0.01 -0.07 0.00 0.07 0.00 0.00 59.98 59.96 1p93 h ARG 611 Cb 0.68 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.68 1p93 h ARG 611 CO -0.24 0.10 -0.03 0.77 -1.07 0.00 0.00 179.97 179.51 1p93 h SER 612 N 0.16 0.68 -0.44 7.04 0.02 -0.52 -2.74 113.55 117.75 1p93 h SER 612 Ca 0.41 -0.32 0.05 0.00 -0.84 0.00 0.00 61.79 61.08 1p93 h SER 612 Cb 0.72 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 63.05 1p93 h SER 612 CO -0.59 0.84 0.30 0.22 -1.14 0.00 0.00 176.83 176.45 1p93 h TYR 613 N 0.50 0.40 0.00 3.45 3.20 0.15 -1.64 116.97 123.03 1p93 h TYR 613 Ca 0.10 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.98 1p93 h TYR 613 Cb 0.51 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.65 1p93 h TYR 613 CO 0.04 0.22 0.30 0.54 -1.64 0.00 0.00 178.16 177.63 1p93 n ARG 614 N -4.48 0.04 0.00 1.82 3.00 0.10 -4.38 116.66 112.78 1p93 n ARG 614 Ca 0.05 0.42 0.00 0.00 -0.01 0.00 0.00 57.85 58.32 1p93 n ARG 614 Cb 0.21 -1.95 0.00 0.00 0.00 0.00 0.00 32.46 30.73 1p93 n ARG 614 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1p93 n GLN 615 N -1.67 0.00 -1.53 5.56 0.00 -1.14 -5.07 117.38 113.51 1p93 n GLN 615 Ca -0.00 0.00 -0.14 0.00 0.00 0.00 0.00 57.00 56.86 1p93 n GLN 615 Cb 0.31 0.00 -0.10 0.00 0.00 0.00 0.00 30.24 30.46 1p93 n GLN 615 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1p93 n SER 616 N 0.00 1.18 0.16 2.61 2.88 -0.63 -4.68 113.62 115.15 1p93 n SER 616 Ca 0.00 -1.67 0.04 0.00 -1.33 0.00 0.00 58.87 55.91 1p93 n SER 616 Cb 0.00 -1.53 0.19 0.00 -0.75 0.00 0.00 64.21 62.13 1p93 n SER 616 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1p93 h SER 617 N 12.09 0.00 0.00 -3.46 0.02 -1.91 -2.26 113.55 118.03 1p93 h SER 617 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1p93 h SER 617 Cb 1.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.55 1p93 h SER 617 CO 1.06 0.47 0.00 0.00 -1.14 0.00 0.00 176.83 177.22 1p93 n ALA 618 N -2.27 2.36 0.00 3.77 0.00 -1.26 -4.80 120.51 118.31 1p93 n ALA 618 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1p93 n ALA 618 Cb 0.62 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 19.04 1p93 n ALA 618 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1p93 n ASN 619 N -0.54 0.00 -0.39 0.00 3.02 -0.85 -4.91 115.26 111.59 1p93 n ASN 619 Ca 0.02 0.00 -0.06 0.00 -0.03 0.00 0.00 54.58 54.51 1p93 n ASN 619 Cb 0.01 -0.10 -0.01 0.00 -0.61 0.00 0.00 39.78 39.07 1p93 n ASN 619 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1p93 n LEU 620 N 0.00 0.08 -4.66 3.41 4.77 -1.26 -4.77 117.00 114.57 1p93 n LEU 620 Ca 0.00 0.10 -0.43 0.00 -0.03 0.00 0.00 56.01 55.65 1p93 n LEU 620 Cb 0.00 -0.07 -0.02 0.00 -2.33 0.00 0.00 43.42 40.99 1p93 n LEU 620 CO 0.00 -0.09 1.15 -0.76 -1.33 0.00 0.00 177.39 176.36 1p93 s LEU 621 N 0.20 4.17 -0.49 2.23 1.43 -0.87 -4.66 118.68 120.69 1p93 s LEU 621 Ca 0.09 1.73 -0.11 0.00 -1.03 0.00 0.00 54.13 54.81 1p93 s LEU 621 Cb -0.12 -3.54 0.12 0.00 0.03 0.00 0.00 46.19 42.68 1p93 s LEU 621 CO 0.06 -0.84 0.38 0.00 0.23 0.00 0.00 176.35 176.19 1p93 h PHE 623 N 8.55 0.33 -3.56 0.00 0.04 -1.54 -3.40 116.94 117.36 1p93 h PHE 623 Ca -0.23 -0.24 -0.05 0.00 2.80 0.00 0.00 57.97 60.24 1p93 h PHE 623 Cb 1.08 -0.01 -0.11 0.00 2.20 0.00 0.00 35.95 39.11 1p93 h PHE 623 CO 0.66 1.36 -0.11 0.00 -0.60 0.00 0.00 178.31 179.62 1p93 s ALA 624 N -2.60 -0.49 -0.78 2.45 0.00 -0.59 -4.91 121.76 114.84 1p93 s ALA 624 Ca -0.10 -0.58 0.13 0.00 0.00 0.00 0.00 51.96 51.40 1p93 s ALA 624 Cb 0.07 0.90 0.58 0.00 0.00 0.00 0.00 23.12 24.67 1p93 s ALA 624 CO 0.83 -0.77 1.40 -2.30 0.00 0.00 0.00 175.76 174.92 1p93 n PRO 625 N -0.31 0.06 0.00 0.00 -0.02 -1.26 -2.07 135.00 131.40 1p93 n PRO 625 Ca -0.07 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 1p93 n PRO 625 Cb 0.62 -1.64 0.00 0.00 -0.02 0.00 0.00 33.50 32.46 1p93 n PRO 625 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1p93 n ASP 626 N -1.75 0.27 -3.82 2.55 3.85 -1.26 -4.89 116.55 111.50 1p93 n ASP 626 Ca 0.01 -0.62 -0.30 0.00 -0.71 0.00 0.00 54.79 53.17 1p93 n ASP 626 Cb 0.11 0.65 -0.14 0.00 -1.35 0.00 0.00 41.12 40.39 1p93 n ASP 626 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.20 175.97 1p93 s LEU 627 N -1.29 3.39 0.19 -2.12 2.96 -0.88 -4.90 118.68 116.02 1p93 s LEU 627 Ca 0.00 -2.72 0.08 0.00 -0.22 0.00 0.00 54.13 51.26 1p93 s LEU 627 Cb 0.00 -1.29 -0.04 0.00 0.50 0.00 0.00 46.19 45.36 1p93 s LEU 627 CO 0.00 -0.26 -0.01 -0.63 -1.32 0.00 0.00 176.35 174.12 1p93 s ILE 628 N 0.17 3.61 -0.31 6.68 1.09 -1.26 -1.26 121.20 129.93 1p93 s ILE 628 Ca 0.17 -1.52 0.02 0.00 -1.10 0.00 0.00 60.65 58.23 1p93 s ILE 628 Cb -0.25 -2.83 0.08 0.00 -1.06 0.00 0.00 42.46 38.40 1p93 s ILE 628 CO -0.01 -0.14 -0.01 -0.63 -0.10 0.00 0.00 174.94 174.04 1p93 s ILE 629 N -1.80 2.38 0.31 2.92 1.01 0.35 -4.95 121.20 121.43 1p93 s ILE 629 Ca 0.27 -1.91 -0.04 0.00 0.00 0.00 0.00 60.65 58.98 1p93 s ILE 629 Cb -0.09 -2.56 0.07 0.00 0.01 0.00 0.00 42.46 39.89 1p93 s ILE 629 CO 0.18 -0.30 0.42 -0.46 0.00 0.00 0.00 174.94 174.78 1p93 n ASN 630 N 4.40 0.18 0.00 3.58 0.23 -1.26 -2.04 115.26 120.34 1p93 n ASN 630 Ca -0.06 -1.24 -0.11 0.00 -0.53 0.00 0.00 54.58 52.64 1p93 n ASN 630 Cb 0.42 -0.31 -0.07 0.00 -2.08 0.00 0.00 39.78 37.75 1p93 n ASN 630 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 1p93 h GLU 631 N 0.00 -0.40 0.00 -3.83 -0.00 -1.99 -1.80 114.58 106.56 1p93 h GLU 631 Ca -0.14 0.03 0.00 0.00 -0.00 0.00 0.00 59.36 59.25 1p93 h GLU 631 Cb 0.41 0.09 0.00 0.00 -0.00 0.00 0.00 28.75 29.25 1p93 h GLU 631 CO 0.11 -0.26 -0.04 0.00 -0.00 0.00 0.00 179.01 178.82 1p93 n GLN 632 N -4.52 0.21 0.12 1.06 0.00 -1.26 -2.76 117.38 110.23 1p93 n GLN 632 Ca -0.04 0.16 -0.01 0.00 0.00 0.00 0.00 57.00 57.11 1p93 n GLN 632 Cb 0.26 -1.73 0.06 0.00 0.00 0.00 0.00 30.24 28.83 1p93 n GLN 632 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.06 176.97 1p93 h ARG 633 N 0.00 0.00 0.00 2.61 2.43 -1.88 -2.88 114.38 114.66 1p93 h ARG 633 Ca 0.00 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.10 1p93 h ARG 633 Cb 0.69 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.23 1p93 h ARG 633 CO 0.00 0.66 -0.32 1.98 -1.51 0.00 0.00 179.97 180.77 1p93 h MET 634 N 0.00 0.00 0.00 0.20 4.05 -1.14 -2.93 114.93 115.12 1p93 h MET 634 Ca -0.01 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.41 1p93 h MET 634 Cb 1.37 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.17 1p93 h MET 634 CO 0.09 0.32 0.00 0.25 0.23 0.00 0.00 176.91 177.80 1p93 n THR 635 N -3.66 0.93 -0.57 -0.77 -2.24 -1.09 -2.87 114.28 104.02 1p93 n THR 635 Ca -0.01 0.24 -0.30 0.00 -2.27 0.00 0.00 64.05 61.71 1p93 n THR 635 Cb 0.44 -1.04 0.22 0.00 -2.10 0.00 0.00 70.33 67.84 1p93 n THR 635 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1p93 n LEU 636 N -1.73 0.39 -4.68 3.22 4.32 -1.11 -4.88 117.00 112.53 1p93 n LEU 636 Ca 0.03 0.08 -0.50 0.00 -0.02 0.00 0.00 56.01 55.61 1p93 n LEU 636 Cb 0.19 -1.33 -0.05 0.00 -1.62 0.00 0.00 43.42 40.61 1p93 n LEU 636 CO 0.16 -2.87 1.48 -2.65 -1.22 0.00 0.00 177.39 172.29 1p93 n PRO 637 N -4.44 2.04 -4.13 3.23 -0.02 -1.26 -2.51 135.00 127.90 1p93 n PRO 637 Ca 0.06 0.75 -0.34 0.00 -2.02 0.00 0.00 63.50 61.95 1p93 n PRO 637 Cb 0.54 -2.58 -0.01 0.00 -0.02 0.00 0.00 33.50 31.42 1p93 n PRO 637 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1p93 n ASP 638 N 6.60 -3.30 0.00 2.55 8.00 -1.26 -4.87 116.55 124.26 1p93 n ASP 638 Ca 0.23 -0.96 0.00 0.00 0.71 0.00 0.00 54.79 54.77 1p93 n ASP 638 Cb 0.27 -3.02 0.00 0.00 -0.02 0.00 0.00 41.12 38.35 1p93 n ASP 638 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61 1p93 n MET 639 N -4.45 0.00 0.26 -1.24 1.56 -1.04 -4.27 117.12 107.93 1p93 n MET 639 Ca 0.03 0.08 0.18 0.00 -0.27 0.00 0.00 57.70 57.72 1p93 n MET 639 Cb 0.52 -0.57 0.88 0.00 2.15 0.00 0.00 33.22 36.20 1p93 n MET 639 CO 0.00 0.00 0.00 -0.92 -0.73 0.00 0.00 175.97 174.32 1p93 h TYR 640 N 0.00 0.00 0.00 1.12 3.20 -1.72 0.10 116.97 119.68 1p93 h TYR 640 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1p93 h TYR 640 Cb 0.00 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.27 1p93 h TYR 640 CO 0.00 0.00 0.09 -3.47 -1.64 0.00 0.00 178.16 173.14 1p93 n ASP 641 N -3.33 0.32 0.00 -2.11 -0.08 -1.26 -2.42 116.55 107.67 1p93 n ASP 641 Ca 0.00 0.60 0.00 0.00 -1.51 0.00 0.00 54.79 53.89 1p93 n ASP 641 Cb 0.35 -0.62 0.00 0.00 2.34 0.00 0.00 41.12 43.18 1p93 n ASP 641 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1p93 n GLN 642 N -1.93 2.63 0.17 -0.67 10.64 0.25 -4.81 117.38 123.66 1p93 n GLN 642 Ca -0.01 0.00 0.02 0.00 -1.83 0.00 0.00 57.00 55.18 1p93 n GLN 642 Cb 0.11 -0.59 0.32 0.00 -0.86 0.00 0.00 30.24 29.23 1p93 n GLN 642 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1p93 h LYS 644 N 0.03 0.10 -0.05 0.00 2.10 -1.74 0.32 116.57 117.34 1p93 h LYS 644 Ca 0.00 -0.01 -0.05 0.00 -2.00 0.00 0.00 60.65 58.59 1p93 h LYS 644 Cb 0.71 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.02 1p93 h LYS 644 CO 0.05 0.07 -0.18 0.45 -2.00 0.00 0.00 179.45 177.85 1p93 h HIS 645 N 0.11 0.28 -0.41 0.07 3.86 -1.83 -2.31 115.15 114.91 1p93 h HIS 645 Ca 0.78 -0.11 -0.04 0.00 -1.16 0.00 0.00 60.37 59.84 1p93 h HIS 645 Cb 2.55 -0.05 -0.02 0.00 1.06 0.00 0.00 27.41 30.96 1p93 h HIS 645 CO -0.00 0.80 0.08 0.52 0.86 0.00 0.00 177.93 180.19 1p93 h MET 646 N -0.32 0.61 -0.20 2.45 2.86 -0.63 -0.45 114.93 119.25 1p93 h MET 646 Ca -0.01 -0.11 -0.07 0.00 -2.06 0.00 0.00 59.70 57.45 1p93 h MET 646 Cb 0.81 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.36 1p93 h MET 646 CO 0.04 0.57 -0.20 -0.07 1.06 0.00 0.00 176.91 178.30 1p93 h LEU 647 N 0.59 0.34 -0.38 1.22 -0.00 -0.86 -2.95 115.31 113.27 1p93 h LEU 647 Ca 0.13 -0.10 0.05 0.00 -0.00 0.00 0.00 57.88 57.97 1p93 h LEU 647 Cb 0.25 -0.09 -0.08 0.00 -0.00 0.00 0.00 40.66 40.74 1p93 h LEU 647 CO -0.00 0.56 -0.52 0.22 -0.00 0.00 0.00 178.44 178.70 1p93 h TYR 648 N 0.32 -1.56 0.00 1.13 3.20 -0.48 -0.31 116.97 119.26 1p93 h TYR 648 Ca 0.05 0.08 0.00 0.00 3.14 0.00 0.00 58.73 62.00 1p93 h TYR 648 Cb 0.54 0.73 0.00 0.00 1.54 0.00 0.00 36.73 39.55 1p93 h TYR 648 CO 0.01 -0.48 0.00 0.28 -1.64 0.00 0.00 178.16 176.33 1p93 n VAL 649 N -5.40 0.00 -0.33 1.81 0.31 -1.12 0.06 118.33 113.67 1p93 n VAL 649 Ca -0.03 1.12 0.16 0.00 -0.01 0.00 0.00 64.34 65.58 1p93 n VAL 649 Cb 0.35 -1.78 0.31 0.00 -0.91 0.00 0.00 33.84 31.81 1p93 n VAL 649 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 1p93 h SER 650 N 0.00 -0.34 -0.19 4.52 4.64 -1.58 1.27 113.55 121.88 1p93 h SER 650 Ca 0.00 0.26 -0.05 0.00 -0.47 0.00 0.00 61.79 61.54 1p93 h SER 650 Cb 0.00 0.43 -0.02 0.00 -0.31 0.00 0.00 62.40 62.51 1p93 h SER 650 CO 0.00 -0.33 -0.02 0.77 -0.87 0.00 0.00 176.83 176.38 1p93 h SER 651 N 0.04 0.44 0.01 4.97 4.64 -0.68 0.45 113.55 123.42 1p93 h SER 651 Ca 0.61 -0.08 -0.09 0.00 -0.47 0.00 0.00 61.79 61.76 1p93 h SER 651 Cb 1.29 -0.12 0.01 0.00 -0.31 0.00 0.00 62.40 63.27 1p93 h SER 651 CO -0.86 0.52 -0.36 -0.08 -0.87 0.00 0.00 176.83 175.18 1p93 h GLU 652 N 0.45 0.22 -0.90 4.77 4.57 0.51 -1.79 114.58 122.41 1p93 h GLU 652 Ca 0.10 -0.25 0.04 0.00 -1.18 0.00 0.00 59.36 58.07 1p93 h GLU 652 Cb 0.33 0.08 -0.06 0.00 -0.16 0.00 0.00 28.75 28.94 1p93 h GLU 652 CO 0.01 0.99 0.58 1.25 -1.18 0.00 0.00 179.01 180.67 1p93 h LEU 653 N -0.45 0.95 -1.55 1.64 5.85 0.13 0.33 115.31 122.21 1p93 h LEU 653 Ca -0.05 -0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.63 1p93 h LEU 653 Cb 1.13 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.95 1p93 h LEU 653 CO 0.07 0.64 -0.18 -0.74 -0.34 0.00 0.00 178.44 177.89 1p93 h HIS 654 N 1.11 0.00 0.00 1.25 2.76 -0.11 0.92 115.15 121.08 1p93 h HIS 654 Ca 0.37 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.53 1p93 h HIS 654 Cb 0.05 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.01 1p93 h HIS 654 CO -0.02 0.18 -0.11 -0.09 -1.30 0.00 0.00 177.93 176.60 1p93 h ARG 655 N 0.00 0.00 -0.18 5.26 2.43 0.51 -3.27 114.38 119.13 1p93 h ARG 655 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1p93 h ARG 655 Cb 0.53 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.08 1p93 h ARG 655 CO 0.02 0.05 0.00 1.28 -1.51 0.00 0.00 179.97 179.82 1p93 n LEU 656 N -3.09 2.38 -4.42 3.80 7.99 -0.39 -5.00 117.00 118.26 1p93 n LEU 656 Ca 0.04 -1.77 -0.39 0.00 -0.01 0.00 0.00 56.01 53.87 1p93 n LEU 656 Cb 0.55 -0.12 -0.07 0.00 -0.11 0.00 0.00 43.42 43.68 1p93 n LEU 656 CO 0.35 0.58 -0.16 0.00 -1.51 0.00 0.00 177.39 176.64 1p93 n GLN 657 N 0.22 -1.49 -1.67 3.23 1.13 0.25 -4.82 117.38 114.23 1p93 n GLN 657 Ca 0.07 0.21 -0.47 0.00 -1.94 0.00 0.00 57.00 54.86 1p93 n GLN 657 Cb 0.32 -4.68 -0.04 0.00 0.11 0.00 0.00 30.24 25.95 1p93 n GLN 657 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1p93 n VAL 658 N -4.22 0.20 -2.43 5.09 0.31 -1.18 -4.96 118.33 111.14 1p93 n VAL 658 Ca 0.04 -0.04 -0.33 0.00 -0.01 0.00 0.00 64.34 64.01 1p93 n VAL 658 Cb 0.50 -1.63 -0.03 0.00 -0.91 0.00 0.00 33.84 31.76 1p93 n VAL 658 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1p93 s SER 659 N 1.97 6.48 0.48 4.52 1.04 -1.26 -4.82 113.70 122.12 1p93 s SER 659 Ca 0.84 1.69 0.25 0.00 0.48 0.00 0.00 55.95 59.20 1p93 s SER 659 Cb -0.69 -2.53 1.29 0.00 0.10 0.00 0.00 66.02 64.19 1p93 s SER 659 CO 0.43 -0.68 1.88 0.22 0.98 0.00 0.00 173.24 176.06 1p93 h TYR 660 N 1.11 0.25 0.32 5.02 3.20 -1.98 0.17 116.97 125.05 1p93 h TYR 660 Ca -0.48 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.39 1p93 h TYR 660 Cb 1.20 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 39.39 1p93 h TYR 660 CO 0.61 0.06 -0.15 0.93 -1.64 0.00 0.00 178.16 177.98 1p93 h GLU 661 N 0.19 -0.41 -0.89 1.82 5.08 -1.98 -1.03 114.58 117.36 1p93 h GLU 661 Ca 0.43 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.82 1p93 h GLU 661 Cb 1.41 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 30.71 1p93 h GLU 661 CO -0.09 -0.11 0.57 0.93 -1.00 0.00 0.00 179.01 179.31 1p93 h GLU 662 N -0.72 1.19 -0.13 2.33 5.08 -1.33 -2.32 114.58 118.68 1p93 h GLU 662 Ca -0.04 -0.09 0.02 0.00 -1.00 0.00 0.00 59.36 58.24 1p93 h GLU 662 Cb 0.49 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 1p93 h GLU 662 CO 0.07 0.81 0.01 -0.92 -1.00 0.00 0.00 179.01 177.99 1p93 h TYR 663 N 1.22 0.02 -0.21 4.33 3.20 -0.73 0.28 116.97 125.07 1p93 h TYR 663 Ca 0.32 0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.26 1p93 h TYR 663 Cb -0.10 0.01 -0.06 0.00 1.54 0.00 0.00 36.73 38.12 1p93 h TYR 663 CO -0.00 -0.00 -0.18 -0.07 -1.64 0.00 0.00 178.16 176.27 1p93 h LEU 664 N 0.06 -0.57 -1.16 2.82 3.38 -0.78 0.66 115.31 119.73 1p93 h LEU 664 Ca 0.06 0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 1p93 h LEU 664 Cb 0.06 0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 1p93 h LEU 664 CO -0.09 -0.22 0.35 0.00 0.09 0.00 0.00 178.44 178.57 1p93 h MET 666 N 0.93 0.69 -0.56 0.00 2.86 -0.48 -2.47 114.93 115.91 1p93 h MET 666 Ca 0.23 -0.74 0.11 0.00 -2.06 0.00 0.00 59.70 57.25 1p93 h MET 666 Cb 0.06 0.21 -0.11 0.00 0.06 0.00 0.00 31.60 31.81 1p93 h MET 666 CO -0.04 1.31 -0.17 -0.22 1.06 0.00 0.00 176.91 178.85 1p93 h LYS 667 N 0.36 -0.04 -0.62 1.72 3.64 0.87 0.08 116.57 122.59 1p93 h LYS 667 Ca -0.12 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.23 1p93 h LYS 667 Cb 1.66 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 33.46 1p93 h LYS 667 CO 0.20 -0.03 0.27 1.15 -2.27 0.00 0.00 179.45 178.77 1p93 h THR 668 N -0.04 1.23 0.00 1.00 2.02 -1.29 -2.65 112.91 113.18 1p93 h THR 668 Ca 0.26 -0.68 -0.01 0.00 0.77 0.00 0.00 66.41 66.75 1p93 h THR 668 Cb 0.45 0.53 -0.00 0.00 -1.74 0.00 0.00 68.15 67.38 1p93 h THR 668 CO -0.59 0.27 -0.04 -0.07 0.37 0.00 0.00 175.52 175.46 1p93 h LEU 669 N 0.85 0.00 -0.54 2.58 3.38 -0.57 -1.43 115.31 119.58 1p93 h LEU 669 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1p93 h LEU 669 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1p93 h LEU 669 CO -0.02 0.04 0.00 -0.07 0.09 0.00 0.00 178.44 178.48 1p93 h LEU 670 N 0.00 0.00 -1.28 1.67 3.38 -0.69 -2.24 115.31 116.15 1p93 h LEU 670 Ca -0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1p93 h LEU 670 Cb 0.26 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1p93 h LEU 670 CO 0.01 0.00 -0.24 0.25 0.09 0.00 0.00 178.44 178.54 1p93 h LEU 671 N 0.00 0.00 -2.74 1.67 6.46 -1.30 -2.62 115.31 116.78 1p93 h LEU 671 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 1p93 h LEU 671 Cb 0.71 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.64 1p93 h LEU 671 CO 0.00 0.24 0.00 0.18 -0.62 0.00 0.00 178.44 178.24 1p93 n LEU 672 N -3.52 3.14 -0.09 2.25 4.77 -0.87 -4.61 117.00 118.07 1p93 n LEU 672 Ca -0.01 -1.92 0.12 0.00 -0.03 0.00 0.00 56.01 54.18 1p93 n LEU 672 Cb 0.40 -0.28 0.50 0.00 -2.33 0.00 0.00 43.42 41.70 1p93 n LEU 672 CO 0.34 0.77 1.19 0.28 -1.33 0.00 0.00 177.39 178.64 1p93 h SER 673 N 2.69 0.38 -4.20 -1.43 0.02 -1.13 -3.43 113.55 106.44 1p93 h SER 673 Ca 0.00 0.01 -0.24 0.00 -0.84 0.00 0.00 61.79 60.72 1p93 h SER 673 Cb 0.79 -0.07 -0.26 0.00 0.14 0.00 0.00 62.40 63.00 1p93 h SER 673 CO 0.00 0.23 -0.72 -0.44 -1.14 0.00 0.00 176.83 174.75 1p93 s SER 674 N -6.22 0.31 0.31 3.07 0.01 -1.26 0.40 113.70 110.32 1p93 s SER 674 Ca -0.08 -0.21 0.03 0.00 1.31 0.00 0.00 55.95 57.00 1p93 s SER 674 Cb 0.20 0.01 -0.04 0.00 0.21 0.00 0.00 66.02 66.40 1p93 s SER 674 CO 0.75 -0.08 0.16 0.68 0.41 0.00 0.00 173.24 175.15 1p93 s VAL 675 N -0.56 0.35 0.00 3.43 -7.23 0.90 -4.87 120.40 112.42 1p93 s VAL 675 Ca -0.05 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.12 1p93 s VAL 675 Cb -0.04 -2.51 0.00 0.00 0.56 0.00 0.00 36.38 34.38 1p93 s VAL 675 CO -0.00 0.00 0.00 -2.65 -0.31 0.00 0.00 175.10 172.14 1p93 n PRO 676 N -0.59 0.00 0.00 4.82 -0.02 -1.26 0.34 135.00 138.29 1p93 n PRO 676 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.49 1p93 n PRO 676 Cb 0.65 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.13 1p93 n PRO 676 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1p93 n LYS 677 N 0.00 0.00 -0.97 -0.52 3.00 -1.24 0.18 118.16 118.61 1p93 n LYS 677 Ca 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 58.31 58.35 1p93 n LYS 677 Cb 0.00 0.00 0.07 0.00 0.00 0.00 0.00 35.03 35.10 1p93 n LYS 677 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1p93 n ASP 678 N 0.00 1.07 -0.46 3.14 8.00 -1.26 -5.06 116.55 121.97 1p93 n ASP 678 Ca 0.00 -2.51 0.00 0.00 0.71 0.00 0.00 54.79 52.99 1p93 n ASP 678 Cb 0.06 -0.34 0.00 0.00 -0.02 0.00 0.00 41.12 40.82 1p93 n ASP 678 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1p93 n GLY 679 N -0.13 -0.16 3.37 0.44 0.00 -1.26 -4.91 105.19 102.54 1p93 n GLY 679 Ca 0.08 -0.73 -0.19 0.00 0.00 0.00 0.00 46.02 45.18 1p93 n GLY 679 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1p93 s LEU 680 N 0.00 2.45 0.03 0.99 1.02 -1.26 -4.65 118.68 117.27 1p93 s LEU 680 Ca 0.00 -1.13 0.01 0.00 0.02 0.00 0.00 54.13 53.03 1p93 s LEU 680 Cb 0.00 -0.56 0.07 0.00 0.02 0.00 0.00 46.19 45.72 1p93 s LEU 680 CO 0.00 -0.32 0.84 0.29 0.02 0.00 0.00 176.35 177.17 1p93 n LYS 681 N -0.47 0.01 -1.33 1.70 4.01 -1.26 0.51 118.16 121.32 1p93 n LYS 681 Ca -0.06 0.32 0.04 0.00 -0.51 0.00 0.00 58.31 58.09 1p93 n LYS 681 Cb 0.62 -1.75 0.07 0.00 -0.51 0.00 0.00 35.03 33.46 1p93 n LYS 681 CO 0.00 0.00 0.00 0.43 -1.11 0.00 0.00 177.40 176.72 1p93 n SER 682 N -1.36 1.28 -0.10 4.39 7.64 -1.26 -4.84 113.62 119.36 1p93 n SER 682 Ca -0.00 -2.53 -0.12 0.00 1.01 0.00 0.00 58.87 57.23 1p93 n SER 682 Cb 0.22 -0.37 -0.09 0.00 -1.01 0.00 0.00 64.21 62.97 1p93 n SER 682 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 1p93 h GLN 683 N 1.09 -0.37 -0.96 1.43 5.75 -0.32 0.45 115.11 122.19 1p93 h GLN 683 Ca -0.16 0.03 0.25 0.00 -0.15 0.00 0.00 58.65 58.62 1p93 h GLN 683 Cb 1.63 0.08 -0.18 0.00 1.07 0.00 0.00 27.48 30.09 1p93 h GLN 683 CO 0.09 -0.25 0.01 1.05 -2.65 0.00 0.00 178.83 177.08 1p93 h GLU 684 N -0.38 0.03 0.05 1.69 -0.00 -1.92 0.15 114.58 114.20 1p93 h GLU 684 Ca 0.05 -0.00 -0.00 0.00 -0.00 0.00 0.00 59.36 59.41 1p93 h GLU 684 Cb 0.53 -0.01 0.00 0.00 -0.00 0.00 0.00 28.75 29.28 1p93 h GLU 684 CO -0.49 0.02 -0.02 1.25 -0.00 0.00 0.00 179.01 179.76 1p93 h LEU 685 N 0.03 -0.06 -0.43 3.06 6.46 -1.54 -1.87 115.31 120.96 1p93 h LEU 685 Ca 0.56 0.00 0.04 0.00 -0.12 0.00 0.00 57.88 58.37 1p93 h LEU 685 Cb 1.12 0.02 -0.05 0.00 -0.73 0.00 0.00 40.66 41.01 1p93 h LEU 685 CO -0.89 -0.04 -0.25 0.33 -0.62 0.00 0.00 178.44 176.98 1p93 n PHE 686 N -2.22 -0.18 0.21 1.25 7.35 0.14 0.16 117.46 124.17 1p93 n PHE 686 Ca -0.01 0.53 -0.15 0.00 -0.76 0.00 0.00 57.45 57.07 1p93 n PHE 686 Cb 0.03 -0.54 -0.07 0.00 0.35 0.00 0.00 39.48 39.24 1p93 n PHE 686 CO 0.00 0.00 0.00 -0.44 -0.76 0.00 0.00 176.76 175.56 1p93 h ASP 687 N 0.00 -0.54 -0.69 -2.13 5.19 -0.84 0.38 116.42 117.79 1p93 h ASP 687 Ca 0.07 0.03 0.06 0.00 -0.62 0.00 0.00 57.03 56.58 1p93 h ASP 687 Cb 0.18 0.16 -0.08 0.00 0.18 0.00 0.00 39.33 39.77 1p93 h ASP 687 CO -0.40 -0.34 -0.41 1.21 -3.12 0.00 0.00 179.24 176.18 1p93 n GLU 688 N -5.34 -0.31 0.04 3.56 0.00 0.41 -1.53 120.64 117.47 1p93 n GLU 688 Ca -0.10 1.16 -0.02 0.00 0.00 0.00 0.00 57.16 58.20 1p93 n GLU 688 Cb 0.25 -1.71 -0.01 0.00 0.00 0.00 0.00 31.44 29.97 1p93 n GLU 688 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.13 177.95 1p93 h ILE 689 N 0.00 0.00 -0.15 6.31 2.04 -0.55 -3.18 117.51 121.98 1p93 h ILE 689 Ca 0.11 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.98 1p93 h ILE 689 Cb 0.28 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.35 1p93 h ILE 689 CO -0.65 0.00 -0.09 -1.14 0.00 0.00 0.00 178.15 176.27 1p93 n ARG 690 N -2.65 -0.07 -0.26 2.37 0.63 0.09 0.10 116.66 116.88 1p93 n ARG 690 Ca -0.01 0.45 -0.02 0.00 -0.92 0.00 0.00 57.85 57.34 1p93 n ARG 690 Cb 0.06 -0.66 0.04 0.00 0.45 0.00 0.00 32.46 32.35 1p93 n ARG 690 CO 0.00 0.00 0.00 1.98 -2.51 0.00 0.00 177.63 177.10 1p93 h MET 691 N 0.00 -0.07 -1.16 -0.14 4.05 -1.38 0.35 114.93 116.58 1p93 h MET 691 Ca 0.02 0.01 0.33 0.00 -0.28 0.00 0.00 59.70 59.78 1p93 h MET 691 Cb 0.06 0.02 -0.08 0.00 -0.80 0.00 0.00 31.60 30.80 1p93 h MET 691 CO -0.14 -0.05 0.78 1.79 0.23 0.00 0.00 176.91 179.52 1p93 h THR 692 N -0.08 0.41 0.22 -0.77 1.35 0.72 1.12 112.91 115.88 1p93 h THR 692 Ca 0.30 -0.07 -0.32 0.00 -0.55 0.00 0.00 66.41 65.77 1p93 h THR 692 Cb 0.57 0.20 0.03 0.00 -1.73 0.00 0.00 68.15 67.22 1p93 h THR 692 CO -0.78 0.04 -1.46 1.88 -0.25 0.00 0.00 175.52 174.95 1p93 h TYR 693 N 0.19 0.84 0.00 4.73 0.05 -0.16 0.38 116.97 123.01 1p93 h TYR 693 Ca 0.62 -0.62 0.00 0.00 0.05 0.00 0.00 58.73 58.79 1p93 h TYR 693 Cb 1.99 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 39.70 1p93 h TYR 693 CO -0.00 1.51 0.00 0.82 -1.05 0.00 0.00 178.16 179.43 1p93 h ILE 694 N 0.13 0.00 0.12 -2.88 2.04 0.22 0.62 117.51 117.76 1p93 h ILE 694 Ca -0.24 -0.02 -0.35 0.00 1.00 0.00 0.00 64.86 65.25 1p93 h ILE 694 Cb 2.12 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 39.01 1p93 h ILE 694 CO 0.25 0.00 -1.92 0.11 0.00 0.00 0.00 178.15 176.59 1p93 h LYS 695 N 0.00 0.25 -0.16 2.37 1.79 0.46 -3.14 116.57 118.13 1p93 h LYS 695 Ca 0.00 -0.42 -0.07 0.00 -2.18 0.00 0.00 60.65 57.97 1p93 h LYS 695 Cb 0.02 0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 30.82 1p93 h LYS 695 CO 0.00 1.14 -0.23 1.49 -1.08 0.00 0.00 179.45 180.77 1p93 h GLU 696 N 0.07 0.27 -0.18 3.15 4.57 0.16 -2.04 114.58 120.59 1p93 h GLU 696 Ca -0.39 -0.09 -0.16 0.00 -1.18 0.00 0.00 59.36 57.54 1p93 h GLU 696 Cb 2.04 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 30.60 1p93 h GLU 696 CO 0.10 0.50 -0.55 1.25 -1.18 0.00 0.00 179.01 179.13 1p93 h LEU 697 N 0.25 0.60 0.45 1.64 5.85 -0.05 -1.51 115.31 122.53 1p93 h LEU 697 Ca 0.04 -0.32 -0.02 0.00 0.84 0.00 0.00 57.88 58.42 1p93 h LEU 697 Cb 0.55 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.41 1p93 h LEU 697 CO 0.04 1.03 -0.21 1.23 -0.34 0.00 0.00 178.44 180.18 1p93 h GLY 698 N 1.08 -0.63 0.47 3.75 0.00 -1.35 0.16 103.07 106.55 1p93 h GLY 698 Ca 0.01 0.23 0.15 0.00 0.00 0.00 0.00 47.33 47.72 1p93 h GLY 698 CO 0.10 -0.23 0.59 0.50 0.00 0.00 0.00 176.54 177.50 1p93 h LYS 699 N -0.63 0.70 0.01 4.80 1.57 -1.35 0.32 116.57 121.99 1p93 h LYS 699 Ca -0.06 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1p93 h LYS 699 Cb 0.48 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.63 1p93 h LYS 699 CO 0.10 0.46 -0.00 0.00 -0.57 0.00 0.00 179.45 179.44 1p93 h ALA 700 N 1.59 -0.01 -0.44 3.86 0.00 -0.48 -2.45 119.26 121.33 1p93 h ALA 700 Ca 0.47 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.31 1p93 h ALA 700 Cb 0.73 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1p93 h ALA 700 CO -0.23 -0.48 0.13 0.82 0.00 0.00 0.00 179.25 179.49 1p93 h ILE 701 N -0.06 1.23 -0.11 0.00 2.04 0.37 -3.22 117.51 117.74 1p93 h ILE 701 Ca -0.00 -0.76 0.01 0.00 1.00 0.00 0.00 64.86 65.11 1p93 h ILE 701 Cb 0.06 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 37.02 1p93 h ILE 701 CO 0.00 0.27 -0.09 0.58 0.00 0.00 0.00 178.15 178.92 1p93 h VAL 702 N 0.57 0.00 -1.13 1.67 2.07 -0.15 -3.38 116.25 115.90 1p93 h VAL 702 Ca 0.14 0.00 -0.80 0.00 0.82 0.00 0.00 66.70 66.86 1p93 h VAL 702 Cb 0.28 0.00 0.03 0.00 -1.52 0.00 0.00 31.29 30.09 1p93 h VAL 702 CO -0.00 0.00 0.38 0.29 0.02 0.00 0.00 177.57 178.26 1p93 n LYS 703 N -3.25 0.24 -1.38 1.57 5.02 -0.95 -3.75 118.16 115.67 1p93 n LYS 703 Ca -0.00 0.09 0.00 0.00 -2.02 0.00 0.00 58.31 56.38 1p93 n LYS 703 Cb 0.04 -1.62 0.00 0.00 -0.02 0.00 0.00 35.03 33.43 1p93 n LYS 703 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1p93 n ARG 704 N 2.75 0.00 -4.33 1.97 1.74 -1.26 -4.95 116.66 112.57 1p93 n ARG 704 Ca 0.24 0.00 -0.18 0.00 -0.77 0.00 0.00 57.85 57.13 1p93 n ARG 704 Cb 0.05 -1.47 -0.09 0.00 -1.02 0.00 0.00 32.46 29.93 1p93 n ARG 704 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1p93 s SER 708 N -2.83 1.49 0.00 0.55 0.01 -1.25 -4.99 113.70 106.68 1p93 s SER 708 Ca 0.00 -1.53 0.00 0.00 1.31 0.00 0.00 55.95 55.73 1p93 s SER 708 Cb 0.00 0.35 0.00 0.00 0.21 0.00 0.00 66.02 66.58 1p93 s SER 708 CO 0.00 -0.86 0.00 -0.24 0.41 0.00 0.00 173.24 172.55 1p93 n SER 709 N -0.85 0.00 -0.90 2.44 2.88 -1.26 -4.62 113.62 111.31 1p93 n SER 709 Ca 0.01 0.00 -0.00 0.00 -1.33 0.00 0.00 58.87 57.55 1p93 n SER 709 Cb 0.65 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.11 1p93 n SER 709 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1p93 n GLN 710 N 0.00 1.01 -0.29 -1.46 -0.00 -1.26 -4.57 117.38 110.82 1p93 n GLN 710 Ca 0.00 -0.02 0.25 0.00 -0.00 0.00 0.00 57.00 57.23 1p93 n GLN 710 Cb 0.00 -1.12 0.38 0.00 -0.00 0.00 0.00 30.24 29.51 1p93 n GLN 710 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 1p93 n ASN 711 N 0.38 0.00 0.07 2.61 4.13 -1.26 0.23 115.26 121.42 1p93 n ASN 711 Ca 0.00 0.53 0.17 0.00 1.68 0.00 0.00 54.58 56.96 1p93 n ASN 711 Cb 0.45 -0.23 0.68 0.00 -1.54 0.00 0.00 39.78 39.15 1p93 n ASN 711 CO 0.00 0.00 0.00 -0.50 0.28 0.00 0.00 177.26 177.04 1p93 h TRP 712 N 0.00 0.00 -0.00 3.10 4.06 -2.00 -1.65 115.95 119.46 1p93 h TRP 712 Ca 0.44 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 61.34 1p93 h TRP 712 Cb 2.03 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 30.19 1p93 h TRP 712 CO 0.00 0.00 -0.17 0.37 -3.56 0.00 0.00 178.44 175.08 1p93 h GLN 713 N 0.00 0.12 -0.61 0.49 4.15 -0.63 -2.71 115.11 115.92 1p93 h GLN 713 Ca 0.19 -0.13 0.12 0.00 0.77 0.00 0.00 58.65 59.60 1p93 h GLN 713 Cb 0.76 0.04 -0.12 0.00 0.21 0.00 0.00 27.48 28.36 1p93 h GLN 713 CO -0.00 0.88 -0.21 -0.09 -1.93 0.00 0.00 178.83 177.47 1p93 h ARG 714 N -0.58 -0.05 -0.55 1.69 9.65 -1.62 0.40 114.38 123.32 1p93 h ARG 714 Ca -0.02 0.00 0.11 0.00 -1.10 0.00 0.00 59.98 58.97 1p93 h ARG 714 Cb 0.93 0.01 -0.09 0.00 -1.39 0.00 0.00 29.97 29.44 1p93 h ARG 714 CO 0.03 -0.04 -0.00 0.35 2.80 0.00 0.00 179.97 183.12 1p93 h PHE 715 N -0.06 -0.04 0.07 2.20 3.57 -1.31 -2.41 116.94 118.96 1p93 h PHE 715 Ca 0.28 0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.85 1p93 h PHE 715 Cb 0.50 0.10 -0.04 0.00 2.79 0.00 0.00 35.95 39.29 1p93 h PHE 715 CO -0.55 -0.13 -0.31 -0.92 -2.23 0.00 0.00 178.31 174.17 1p93 h TYR 716 N 0.12 -0.84 -0.02 0.41 5.03 0.08 -0.38 116.97 121.36 1p93 h TYR 716 Ca 0.28 0.02 0.03 0.00 2.58 0.00 0.00 58.73 61.64 1p93 h TYR 716 Cb 0.43 0.36 -0.06 0.00 1.55 0.00 0.00 36.73 39.02 1p93 h TYR 716 CO -0.34 -0.41 -0.44 1.96 -1.32 0.00 0.00 178.16 177.61 1p93 h GLN 717 N -0.50 -0.56 -0.09 1.82 4.20 -0.77 0.47 115.11 119.67 1p93 h GLN 717 Ca 0.04 0.04 0.04 0.00 0.06 0.00 0.00 58.65 58.83 1p93 h GLN 717 Cb 0.55 0.13 -0.06 0.00 0.30 0.00 0.00 27.48 28.40 1p93 h GLN 717 CO -0.22 -0.37 -0.38 -0.07 -0.67 0.00 0.00 178.83 177.12 1p93 h LEU 718 N -0.58 -1.16 -1.24 1.46 3.38 -1.32 -1.67 115.31 114.17 1p93 h LEU 718 Ca 0.05 0.16 0.19 0.00 0.09 0.00 0.00 57.88 58.37 1p93 h LEU 718 Cb 0.66 0.48 -0.09 0.00 0.09 0.00 0.00 40.66 41.80 1p93 h LEU 718 CO -0.34 -0.41 0.61 0.74 0.09 0.00 0.00 178.44 179.14 1p93 h THR 719 N -0.47 0.70 0.00 0.22 2.02 -0.62 0.32 112.91 115.08 1p93 h THR 719 Ca 0.08 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 67.05 1p93 h THR 719 Cb 0.60 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.05 1p93 h THR 719 CO -0.36 0.11 0.00 1.17 0.37 0.00 0.00 175.52 176.82 1p93 n LYS 720 N -4.64 0.16 0.09 6.66 3.00 0.12 -2.91 118.16 120.64 1p93 n LYS 720 Ca 0.21 0.26 0.12 0.00 -0.00 0.00 0.00 58.31 58.90 1p93 n LYS 720 Cb 0.63 -1.74 0.05 0.00 0.00 0.00 0.00 35.03 33.97 1p93 n LYS 720 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 1p93 h LEU 721 N 0.00 0.00 -0.18 3.14 5.85 0.02 -2.52 115.31 121.62 1p93 h LEU 721 Ca 0.00 -0.07 -0.06 0.00 0.84 0.00 0.00 57.88 58.59 1p93 h LEU 721 Cb 0.49 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 1p93 h LEU 721 CO 0.00 0.04 -0.28 -0.07 -0.34 0.00 0.00 178.44 177.79 1p93 h LEU 722 N 0.00 0.00 0.04 2.25 3.38 -1.36 -2.96 115.31 116.66 1p93 h LEU 722 Ca 0.00 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.73 1p93 h LEU 722 Cb 0.93 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.65 1p93 h LEU 722 CO 0.00 0.28 -1.17 0.44 0.09 0.00 0.00 178.44 178.09 1p93 h ASP 723 N 0.00 0.13 -0.81 -0.43 5.19 -1.58 -3.23 116.42 115.69 1p93 h ASP 723 Ca -0.00 -0.15 -0.01 0.00 -0.62 0.00 0.00 57.03 56.25 1p93 h ASP 723 Cb 1.15 -0.04 -0.04 0.00 0.18 0.00 0.00 39.33 40.58 1p93 h ASP 723 CO 0.04 1.12 0.45 -1.28 -3.12 0.00 0.00 179.24 176.45 1p93 h SER 724 N 0.02 1.00 -0.91 6.45 0.87 -1.36 -2.42 113.55 117.21 1p93 h SER 724 Ca -0.08 -0.09 0.24 0.00 -1.23 0.00 0.00 61.79 60.63 1p93 h SER 724 Cb 1.86 -0.25 -0.05 0.00 -0.44 0.00 0.00 62.40 63.51 1p93 h SER 724 CO 0.14 0.80 0.63 0.24 -0.53 0.00 0.00 176.83 178.12 1p93 h MET 725 N 1.12 0.17 -0.90 2.24 2.86 -1.53 -0.64 114.93 118.25 1p93 h MET 725 Ca 0.28 -0.01 0.04 0.00 -2.06 0.00 0.00 59.70 57.95 1p93 h MET 725 Cb 0.02 -0.04 -0.05 0.00 0.06 0.00 0.00 31.60 31.58 1p93 h MET 725 CO -0.05 0.11 0.58 0.45 1.06 0.00 0.00 176.91 179.07 1p93 h HIS 726 N 0.17 1.09 -0.05 -0.22 3.86 -1.56 1.05 115.15 119.49 1p93 h HIS 726 Ca 0.46 0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.65 1p93 h HIS 726 Cb 1.51 -0.36 0.00 0.00 1.06 0.00 0.00 27.41 29.62 1p93 h HIS 726 CO -0.00 0.63 -0.12 0.93 0.86 0.00 0.00 177.93 180.22 1p93 h GLU 727 N 1.13 0.17 -0.05 2.45 5.08 -1.27 -2.72 114.58 119.37 1p93 h GLU 727 Ca 0.36 -0.12 0.02 0.00 -1.00 0.00 0.00 59.36 58.62 1p93 h GLU 727 Cb 0.01 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.24 1p93 h GLU 727 CO -0.12 0.72 -0.34 0.28 -1.00 0.00 0.00 179.01 178.55 1p93 h VAL 728 N -0.34 0.00 -0.29 3.13 2.07 -0.84 0.27 116.25 120.25 1p93 h VAL 728 Ca -0.00 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.60 1p93 h VAL 728 Cb 0.72 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 1p93 h VAL 728 CO 0.03 0.00 0.53 0.58 0.02 0.00 0.00 177.57 178.73 1p93 h VAL 729 N -0.40 0.17 0.20 2.57 2.07 0.11 -2.29 116.25 118.68 1p93 h VAL 729 Ca 0.01 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.52 1p93 h VAL 729 Cb 0.44 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 1p93 h VAL 729 CO -0.26 0.00 -0.10 -0.08 0.02 0.00 0.00 177.57 177.16 1p93 h GLU 730 N 0.00 -0.26 -0.59 1.57 4.81 -0.16 -3.11 114.58 116.84 1p93 h GLU 730 Ca 0.14 0.02 0.14 0.00 -0.13 0.00 0.00 59.36 59.53 1p93 h GLU 730 Cb 1.20 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.61 1p93 h GLU 730 CO -0.00 0.02 0.41 -0.91 -0.73 0.00 0.00 179.01 177.80 1p93 h ASN 731 N -1.00 0.16 0.09 1.04 4.21 -0.71 -0.71 115.58 118.66 1p93 h ASN 731 Ca -0.03 0.01 -0.12 0.00 1.21 0.00 0.00 56.30 57.37 1p93 h ASN 731 Cb 0.40 -0.03 -0.01 0.00 -1.12 0.00 0.00 38.32 37.57 1p93 h ASN 731 CO 0.05 0.09 -0.40 -0.07 -1.29 0.00 0.00 177.43 175.81 1p93 h LEU 732 N 0.17 0.43 -0.15 1.61 3.38 -1.60 -1.91 115.31 117.23 1p93 h LEU 732 Ca 0.28 -0.18 -0.23 0.00 0.09 0.00 0.00 57.88 57.84 1p93 h LEU 732 Cb 0.87 -0.12 0.01 0.00 0.09 0.00 0.00 40.66 41.51 1p93 h LEU 732 CO -0.04 0.78 -0.86 -0.07 0.09 0.00 0.00 178.44 178.33 1p93 h LEU 733 N 0.34 0.84 -1.84 1.67 3.38 -1.09 0.66 115.31 119.26 1p93 h LEU 733 Ca 0.03 -0.59 -0.02 0.00 0.09 0.00 0.00 57.88 57.39 1p93 h LEU 733 Cb 0.85 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.35 1p93 h LEU 733 CO 0.07 1.39 -0.09 0.78 0.09 0.00 0.00 178.44 180.68 1p93 h ASN 734 N 0.44 0.00 0.24 -0.43 2.35 -1.04 0.39 115.58 117.52 1p93 h ASN 734 Ca -0.07 0.00 -0.34 0.00 -0.55 0.00 0.00 56.30 55.33 1p93 h ASN 734 Cb 1.49 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.85 1p93 h ASN 734 CO 0.17 0.09 -1.84 0.22 -1.65 0.00 0.00 177.43 174.42 1p93 h TYR 735 N 0.00 0.46 -0.12 1.19 5.03 -1.29 -3.32 116.97 118.92 1p93 h TYR 735 Ca -0.00 -0.34 -0.11 0.00 2.58 0.00 0.00 58.73 60.87 1p93 h TYR 735 Cb 0.16 -0.02 -0.01 0.00 1.55 0.00 0.00 36.73 38.41 1p93 h TYR 735 CO 0.00 1.60 -0.40 0.00 -1.32 0.00 0.00 178.16 178.04 1p93 h PHE 737 N 0.21 0.95 0.76 0.00 -5.15 -0.40 -1.78 116.94 111.54 1p93 h PHE 737 Ca 0.02 -0.50 -0.04 0.00 -0.20 0.00 0.00 57.97 57.26 1p93 h PHE 737 Cb 0.80 -0.12 0.01 0.00 0.22 0.00 0.00 35.95 36.86 1p93 h PHE 737 CO 0.01 1.33 -0.38 1.96 -2.00 0.00 0.00 178.31 179.23 1p93 h GLN 738 N 0.39 -1.00 -0.58 6.09 4.20 -1.66 0.13 115.11 122.68 1p93 h GLN 738 Ca -0.10 0.07 0.16 0.00 0.06 0.00 0.00 58.65 58.84 1p93 h GLN 738 Cb 1.60 0.23 -0.03 0.00 0.30 0.00 0.00 27.48 29.58 1p93 h GLN 738 CO 0.19 -0.66 0.41 1.79 -0.67 0.00 0.00 178.83 179.88 1p93 h THR 739 N -1.03 0.73 0.00 -0.54 1.35 -1.61 0.74 112.91 112.54 1p93 h THR 739 Ca -0.10 -0.01 -0.13 0.00 -0.55 0.00 0.00 66.41 65.62 1p93 h THR 739 Cb 0.80 0.68 -0.02 0.00 -1.73 0.00 0.00 68.15 67.88 1p93 h THR 739 CO 0.16 0.01 -0.61 0.15 -0.25 0.00 0.00 175.52 174.98 1p93 h PHE 740 N 0.04 0.00 0.00 4.73 3.57 -0.89 -3.38 116.94 121.01 1p93 h PHE 740 Ca 0.28 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.78 1p93 h PHE 740 Cb 1.05 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.79 1p93 h PHE 740 CO -0.00 0.61 -0.14 -0.07 -2.23 0.00 0.00 178.31 176.48 1p93 h LEU 741 N 0.00 0.00 -9.36 0.59 3.38 0.23 -3.47 115.31 106.68 1p93 h LEU 741 Ca -0.01 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.43 1p93 h LEU 741 Cb 1.29 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.06 1p93 h LEU 741 CO 0.08 0.33 1.09 -0.62 0.09 0.00 0.00 178.44 179.41 1p93 s ASP 742 N -4.52 6.59 0.00 -0.43 2.15 0.11 -4.87 116.67 115.70 1p93 s ASP 742 Ca -0.04 2.44 0.20 0.00 0.43 0.00 0.00 52.55 55.58 1p93 s ASP 742 Cb 0.01 -2.55 0.54 0.00 -0.30 0.00 0.00 42.92 40.62 1p93 s ASP 742 CO 0.06 -0.94 1.46 1.17 -0.17 0.00 0.00 175.17 176.74 1p93 n LYS 743 N 6.59 2.42 -0.21 4.34 4.81 -1.26 -3.30 118.16 131.55 1p93 n LYS 743 Ca 0.17 -2.19 0.08 0.00 -0.87 0.00 0.00 58.31 55.50 1p93 n LYS 743 Cb 0.41 -1.48 0.23 0.00 0.02 0.00 0.00 35.03 34.21 1p93 n LYS 743 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 1p93 n THR 744 N 1.30 0.54 -0.13 3.15 -1.04 -1.26 -3.53 114.28 113.30 1p93 n THR 744 Ca 0.20 -0.58 -0.28 0.00 -2.04 0.00 0.00 64.05 61.35 1p93 n THR 744 Cb 0.52 0.36 -0.10 0.00 -1.82 0.00 0.00 70.33 69.30 1p93 n THR 744 CO 0.00 0.00 0.00 0.23 -0.64 0.00 0.00 175.07 174.66 1p93 n MET 745 N 0.81 0.57 -1.77 -2.82 2.81 -1.21 -5.04 117.12 110.46 1p93 n MET 745 Ca 0.16 0.25 0.00 0.00 -1.81 0.00 0.00 57.70 56.29 1p93 n MET 745 Cb 0.39 -1.45 0.00 0.00 -0.71 0.00 0.00 33.22 31.45 1p93 n MET 745 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1p93 n SER 746 N -4.17 -1.05 -4.81 7.83 7.64 -1.23 -4.97 113.62 112.85 1p93 n SER 746 Ca -0.53 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 58.99 1p93 n SER 746 Cb 0.88 -0.46 -0.07 0.00 -1.01 0.00 0.00 64.21 63.55 1p93 n SER 746 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1p93 s ILE 747 N -2.00 5.23 -0.06 0.44 1.01 -1.26 -4.95 121.20 119.60 1p93 s ILE 747 Ca 0.00 0.11 0.04 0.00 0.00 0.00 0.00 60.65 60.79 1p93 s ILE 747 Cb 0.00 -3.28 -0.02 0.00 0.01 0.00 0.00 42.46 39.17 1p93 s ILE 747 CO 0.00 0.59 -0.18 -0.70 0.00 0.00 0.00 174.94 174.65 1p93 s GLU 748 N -0.78 2.65 0.07 2.79 2.56 -1.26 -4.91 118.70 119.82 1p93 s GLU 748 Ca 0.13 -0.77 0.04 0.00 0.00 0.00 0.00 54.97 54.37 1p93 s GLU 748 Cb -0.12 -2.34 -0.04 0.00 2.00 0.00 0.00 34.13 33.63 1p93 s GLU 748 CO 0.03 0.48 0.01 -0.06 -0.56 0.00 0.00 175.26 175.15 1p93 s PHE 749 N -0.37 3.03 0.85 5.30 0.40 -1.26 -4.58 117.98 121.36 1p93 s PHE 749 Ca 0.03 0.01 -0.12 0.00 -0.60 0.00 0.00 56.93 56.26 1p93 s PHE 749 Cb -0.12 -1.58 0.10 0.00 0.51 0.00 0.00 43.02 41.93 1p93 s PHE 749 CO 0.02 0.48 1.10 -1.25 0.70 0.00 0.00 175.22 176.27 1p93 s PRO 750 N -2.13 1.61 0.23 0.24 0.04 -1.26 -4.91 135.00 128.83 1p93 s PRO 750 Ca 0.25 0.67 -0.06 0.00 0.04 0.00 0.00 61.00 61.89 1p93 s PRO 750 Cb -0.12 -1.86 0.31 0.00 0.04 0.00 0.00 34.50 32.87 1p93 s PRO 750 CO 0.17 -1.96 1.84 0.93 0.04 0.00 0.00 177.00 178.02 1p93 h GLU 751 N -1.34 0.88 -0.82 4.56 5.08 -1.98 -3.05 114.58 117.91 1p93 h GLU 751 Ca -0.49 -0.05 0.07 0.00 -1.00 0.00 0.00 59.36 57.89 1p93 h GLU 751 Cb 1.28 -0.20 -0.10 0.00 0.50 0.00 0.00 28.75 30.23 1p93 h GLU 751 CO 0.58 0.59 -0.49 -1.33 -1.00 0.00 0.00 179.01 177.36 1p93 n MET 752 N -4.65 -0.36 0.08 2.33 2.81 -1.26 0.19 117.12 116.26 1p93 n MET 752 Ca 0.11 1.32 0.09 0.00 -1.81 0.00 0.00 57.70 57.41 1p93 n MET 752 Cb 0.17 -1.95 0.39 0.00 -0.71 0.00 0.00 33.22 31.13 1p93 n MET 752 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1p93 n LEU 753 N -4.93 0.37 0.00 4.03 4.77 -1.16 -2.73 117.00 117.35 1p93 n LEU 753 Ca 0.02 0.61 0.00 0.00 -0.03 0.00 0.00 56.01 56.61 1p93 n LEU 753 Cb 0.21 -0.59 0.00 0.00 -2.33 0.00 0.00 43.42 40.72 1p93 n LEU 753 CO -0.13 -0.52 0.28 0.00 -1.33 0.00 0.00 177.39 175.69 1p93 n ALA 754 N -1.66 -0.27 -0.35 -1.18 0.00 0.51 0.94 120.51 118.51 1p93 n ALA 754 Ca 0.02 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.42 1p93 n ALA 754 Cb 0.15 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.62 1p93 n ALA 754 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1p93 h GLU 755 N 0.00 -0.04 -0.48 0.00 4.57 -1.51 0.29 114.58 117.41 1p93 h GLU 755 Ca 0.00 0.00 0.06 0.00 -1.18 0.00 0.00 59.36 58.24 1p93 h GLU 755 Cb 0.00 0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 28.55 1p93 h GLU 755 CO 0.00 -0.03 0.18 0.82 -1.18 0.00 0.00 179.01 178.81 1p93 h ILE 756 N -0.04 0.86 0.00 2.32 2.04 -1.56 -1.22 117.51 119.90 1p93 h ILE 756 Ca 0.30 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 66.03 1p93 h ILE 756 Cb 0.57 0.46 0.00 0.00 -0.74 0.00 0.00 36.82 37.11 1p93 h ILE 756 CO -0.92 0.07 0.00 -0.38 0.00 0.00 0.00 178.15 176.92 1p93 n ILE 757 N -4.99 0.00 -0.08 -0.67 5.41 0.27 -2.62 119.36 116.68 1p93 n ILE 757 Ca 0.05 0.88 -0.02 0.00 1.00 0.00 0.00 62.75 64.65 1p93 n ILE 757 Cb 0.18 -1.82 -0.02 0.00 -0.71 0.00 0.00 39.64 37.27 1p93 n ILE 757 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 1p93 n THR 758 N -1.86 -0.13 0.00 1.39 -1.04 0.85 -0.95 114.28 112.53 1p93 n THR 758 Ca 0.00 0.48 0.00 0.00 -2.04 0.00 0.00 64.05 62.49 1p93 n THR 758 Cb 0.00 -0.60 0.00 0.00 -1.82 0.00 0.00 70.33 67.91 1p93 n THR 758 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 1p93 n ASN 759 N -4.16 0.00 0.14 8.00 2.85 -0.46 -3.09 115.26 118.55 1p93 n ASN 759 Ca 0.00 0.36 0.01 0.00 -0.11 0.00 0.00 54.58 54.85 1p93 n ASN 759 Cb 0.05 0.00 0.06 0.00 1.24 0.00 0.00 39.78 41.13 1p93 n ASN 759 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1p93 n GLN 760 N -0.47 0.02 0.00 1.20 1.13 -0.34 -3.69 117.38 115.23 1p93 n GLN 760 Ca 0.00 0.43 0.00 0.00 -1.94 0.00 0.00 57.00 55.49 1p93 n GLN 760 Cb 0.00 -2.20 0.00 0.00 0.11 0.00 0.00 30.24 28.15 1p93 n GLN 760 CO 0.00 0.00 0.00 -0.89 -1.44 0.00 0.00 177.06 174.73 1p93 n ILE 761 N -1.69 0.00 0.10 5.09 5.41 -0.13 -2.39 119.36 125.75 1p93 n ILE 761 Ca -0.00 0.18 0.06 0.00 1.00 0.00 0.00 62.75 63.99 1p93 n ILE 761 Cb 0.64 -0.90 0.31 0.00 -0.71 0.00 0.00 39.64 38.98 1p93 n ILE 761 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1p93 n PRO 762 N 0.00 0.07 0.00 0.38 -0.02 -1.26 -2.55 135.00 131.62 1p93 n PRO 762 Ca 0.00 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 1p93 n PRO 762 Cb 0.00 -1.86 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 1p93 n PRO 762 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1p93 n LYS 763 N -1.89 0.00 0.21 -0.52 4.81 -1.24 -3.16 118.16 116.37 1p93 n LYS 763 Ca -0.01 0.03 0.11 0.00 -0.87 0.00 0.00 58.31 57.57 1p93 n LYS 763 Cb 0.13 -0.74 0.59 0.00 0.02 0.00 0.00 35.03 35.03 1p93 n LYS 763 CO 0.00 0.00 0.00 0.10 1.17 0.00 0.00 177.40 178.67 1p93 h TYR 764 N 0.00 0.00 -0.03 5.64 -0.00 -1.36 -1.61 116.97 119.62 1p93 h TYR 764 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 58.73 58.72 1p93 h TYR 764 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 36.73 1p93 h TYR 764 CO 0.00 0.00 0.01 0.43 -0.00 0.00 0.00 178.16 178.60 1p93 n SER 765 N -2.34 1.87 -0.50 0.10 7.64 -1.06 -2.28 113.62 117.05 1p93 n SER 765 Ca -0.01 -2.05 0.05 0.00 1.01 0.00 0.00 58.87 57.86 1p93 n SER 765 Cb 0.21 -0.51 0.07 0.00 -1.01 0.00 0.00 64.21 62.97 1p93 n SER 765 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1p93 n ASN 766 N 0.17 1.12 -2.43 6.43 5.03 -0.60 -4.98 115.26 120.00 1p93 n ASN 766 Ca 0.02 -2.58 -0.06 0.00 0.87 0.00 0.00 54.58 52.83 1p93 n ASN 766 Cb 0.39 -0.33 -0.00 0.00 -1.02 0.00 0.00 39.78 38.81 1p93 n ASN 766 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1p93 n GLY 767 N -0.55 -0.47 0.10 7.41 0.00 -0.96 -4.76 105.19 105.96 1p93 n GLY 767 Ca 0.08 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.25 1p93 n GLY 767 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1p93 n ASN 768 N -1.57 0.40 -4.86 1.61 2.04 -1.26 -4.88 115.26 106.75 1p93 n ASN 768 Ca -0.07 -0.52 -0.23 0.00 -0.44 0.00 0.00 54.58 53.33 1p93 n ASN 768 Cb 0.54 -0.10 -0.03 0.00 -2.53 0.00 0.00 39.78 37.66 1p93 n ASN 768 CO 0.00 0.00 0.00 0.27 -0.44 0.00 0.00 177.26 177.09 1p93 s ILE 769 N -2.48 2.33 -0.14 1.53 -4.36 -1.24 -3.66 121.20 113.17 1p93 s ILE 769 Ca 0.29 -1.45 -0.02 0.00 -0.26 0.00 0.00 60.65 59.22 1p93 s ILE 769 Cb 0.20 -2.78 0.04 0.00 1.25 0.00 0.00 42.46 41.18 1p93 s ILE 769 CO 0.47 0.00 -0.01 -0.75 0.24 0.00 0.00 174.94 174.89 1p93 s LYS 770 N -4.13 0.92 -0.77 0.37 2.20 1.05 -4.72 119.74 114.66 1p93 s LYS 770 Ca 0.43 -0.26 -0.23 0.00 -0.36 0.00 0.00 55.97 55.55 1p93 s LYS 770 Cb -0.01 -1.67 0.06 0.00 -1.51 0.00 0.00 37.83 34.70 1p93 s LYS 770 CO 0.25 -0.44 1.15 0.15 -0.36 0.00 0.00 175.35 176.10 1p93 s LYS 771 N 1.82 3.27 0.21 4.03 1.02 -1.26 -0.07 119.74 128.76 1p93 s LYS 771 Ca 0.02 -0.82 -0.31 0.00 0.02 0.00 0.00 55.97 54.88 1p93 s LYS 771 Cb -0.15 -4.47 -0.10 0.00 -0.52 0.00 0.00 37.83 32.59 1p93 s LYS 771 CO -0.07 -1.97 1.56 -0.51 -0.92 0.00 0.00 175.35 173.44 1p93 s LEU 772 N 4.52 4.37 0.00 3.17 1.43 0.16 -4.97 118.68 127.36 1p93 s LEU 772 Ca 0.31 2.71 0.01 0.00 -1.03 0.00 0.00 54.13 56.13 1p93 s LEU 772 Cb -0.10 -3.61 0.01 0.00 0.03 0.00 0.00 46.19 42.53 1p93 s LEU 772 CO 0.06 -0.82 0.12 0.18 0.23 0.00 0.00 176.35 176.12 1p93 n LEU 773 N 3.28 0.00 0.00 1.79 4.77 -1.26 -4.79 117.00 120.80 1p93 n LEU 773 Ca 0.11 -1.41 0.00 0.00 -0.03 0.00 0.00 56.01 54.69 1p93 n LEU 773 Cb 0.38 0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 1p93 n LEU 773 CO 0.62 -0.34 -0.23 0.49 -1.33 0.00 0.00 177.39 176.60 1p93 n PHE 774 N -0.92 0.00 -4.40 -1.77 3.72 -1.26 -5.06 117.46 107.76 1p93 n PHE 774 Ca -0.04 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.04 1p93 n PHE 774 Cb 0.30 0.25 -0.16 0.00 -0.94 0.00 0.00 39.48 38.92 1p93 n PHE 774 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 176.76 175.70 1p93 s HIS 775 N -1.95 2.55 -2.83 1.38 3.76 -1.26 -5.15 115.29 111.79 1p93 s HIS 775 Ca 0.00 -1.37 0.25 0.00 -0.15 0.00 0.00 55.06 53.80 1p93 s HIS 775 Cb 0.00 -1.77 0.49 0.00 1.11 0.00 0.00 32.58 32.41 1p93 s HIS 775 CO 0.00 -0.66 1.43 1.04 -0.85 0.00 0.00 174.74 175.70