#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 0.00 0.00 1.08 -0.00 -1.26 -5.12 117.00 111.71 1p93 n LEU 528 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1p93 n LEU 528 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1p93 n LEU 528 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.39 177.80 1p93 n THR 529 N 0.00 0.00 -3.99 1.96 -1.04 -1.26 -5.07 114.28 104.89 1p93 n THR 529 Ca 0.00 0.00 -0.36 0.00 -2.04 0.00 0.00 64.05 61.65 1p93 n THR 529 Cb 0.00 -1.50 -0.08 0.00 -1.82 0.00 0.00 70.33 66.93 1p93 n THR 529 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1p93 s PRO 530 N 0.89 3.52 0.00 -2.82 0.04 -1.26 -5.07 135.00 130.30 1p93 s PRO 530 Ca 0.00 -0.23 0.00 0.00 0.04 0.00 0.00 61.00 60.81 1p93 s PRO 530 Cb 0.00 -3.14 0.00 0.00 0.04 0.00 0.00 34.50 31.40 1p93 s PRO 530 CO 0.00 0.63 0.00 2.41 0.04 0.00 0.00 177.00 180.08 1p93 n THR 531 N 2.44 0.00 0.05 1.26 -1.04 -1.26 -4.98 114.28 110.76 1p93 n THR 531 Ca -0.19 0.00 0.05 0.00 -2.04 0.00 0.00 64.05 61.87 1p93 n THR 531 Cb 0.54 -0.93 -0.07 0.00 -1.82 0.00 0.00 70.33 68.05 1p93 n THR 531 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1p93 n LEU 532 N 0.00 0.06 0.04 -4.42 7.94 -1.26 -4.27 117.00 115.09 1p93 n LEU 532 Ca 0.00 -0.07 -0.21 0.00 -1.11 0.00 0.00 56.01 54.62 1p93 n LEU 532 Cb 0.00 0.00 -0.14 0.00 0.53 0.00 0.00 43.42 43.81 1p93 n LEU 532 CO 0.00 0.01 -0.13 0.58 -1.11 0.00 0.00 177.39 176.74 1p93 h VAL 533 N 0.00 1.34 -0.96 1.96 2.07 -1.94 -2.95 116.25 115.77 1p93 h VAL 533 Ca 0.00 -2.51 0.29 0.00 0.82 0.00 0.00 66.70 65.31 1p93 h VAL 533 Cb 0.39 3.03 -0.17 0.00 -1.52 0.00 0.00 31.29 33.02 1p93 h VAL 533 CO 0.00 0.72 0.22 0.77 0.02 0.00 0.00 177.57 179.30 1p93 h SER 534 N -0.31 -0.12 0.00 0.57 4.64 -1.94 -1.42 113.55 114.96 1p93 h SER 534 Ca -0.20 0.25 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1p93 h SER 534 Cb 1.72 0.36 0.00 0.00 -0.31 0.00 0.00 62.40 64.17 1p93 h SER 534 CO 0.13 -0.30 0.00 -0.11 -0.87 0.00 0.00 176.83 175.68 1p93 n LEU 535 N -5.34 0.00 -0.03 5.97 7.94 -1.21 -2.62 117.00 121.70 1p93 n LEU 535 Ca 0.26 0.26 0.03 0.00 -1.11 0.00 0.00 56.01 55.45 1p93 n LEU 535 Cb 0.85 0.00 0.05 0.00 0.53 0.00 0.00 43.42 44.86 1p93 n LEU 535 CO -0.00 0.00 0.10 0.18 -1.11 0.00 0.00 177.39 176.56 1p93 n LEU 536 N -0.27 0.03 -0.06 -1.96 4.77 -0.79 0.15 117.00 118.86 1p93 n LEU 536 Ca 0.00 0.16 -0.15 0.00 -0.03 0.00 0.00 56.01 55.99 1p93 n LEU 536 Cb 0.00 -0.08 -0.05 0.00 -2.33 0.00 0.00 43.42 40.96 1p93 n LEU 536 CO 0.00 -0.18 0.41 -0.08 -1.33 0.00 0.00 177.39 176.21 1p93 h GLU 537 N 0.00 0.78 0.00 3.23 4.81 -1.29 -2.29 114.58 119.83 1p93 h GLU 537 Ca 0.08 -0.53 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 1p93 h GLU 537 Cb 0.21 0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.67 1p93 h GLU 537 CO -0.08 1.15 -0.29 -0.39 -0.73 0.00 0.00 179.01 178.67 1p93 h VAL 538 N 0.53 0.00 -0.01 0.32 -1.51 0.16 -2.96 116.25 112.78 1p93 h VAL 538 Ca -0.00 -0.77 0.00 0.00 -1.23 0.00 0.00 66.70 64.70 1p93 h VAL 538 Cb 1.16 1.60 0.00 0.00 -2.13 0.00 0.00 31.29 31.92 1p93 h VAL 538 CO 0.12 0.00 -0.23 2.30 -1.23 0.00 0.00 177.57 178.53 1p93 n ILE 539 N -2.62 0.00 -1.84 7.19 -5.35 -0.92 -4.82 119.36 111.00 1p93 n ILE 539 Ca 0.04 -0.20 -0.43 0.00 -0.27 0.00 0.00 62.75 61.88 1p93 n ILE 539 Cb 0.49 0.66 -0.03 0.00 -1.74 0.00 0.00 39.64 39.03 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 -2.36 3.36 1.10 6.28 2.56 -0.86 -4.86 118.70 123.91 1p93 s GLU 540 Ca 0.26 1.76 -0.16 0.00 0.00 0.00 0.00 54.97 56.84 1p93 s GLU 540 Cb 0.19 -4.25 0.15 0.00 2.00 0.00 0.00 34.13 32.23 1p93 s GLU 540 CO 0.48 -1.84 0.41 -0.35 -0.56 0.00 0.00 175.26 173.41 1p93 n PRO 541 N 8.42 -1.60 -4.07 4.30 -0.04 -1.26 -5.00 135.00 135.76 1p93 n PRO 541 Ca 0.25 -0.44 -0.35 0.00 -0.04 0.00 0.00 63.50 62.92 1p93 n PRO 541 Cb 0.46 -1.89 -0.07 0.00 -0.04 0.00 0.00 33.50 31.95 1p93 n PRO 541 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1p93 s GLU 542 N -3.81 3.22 0.02 0.54 2.02 -1.26 -5.05 118.70 114.39 1p93 s GLU 542 Ca 0.60 -0.32 -0.36 0.00 0.02 0.00 0.00 54.97 54.91 1p93 s GLU 542 Cb -0.18 -2.99 -0.15 0.00 0.10 0.00 0.00 34.13 30.91 1p93 s GLU 542 CO 0.66 0.71 1.54 1.33 0.02 0.00 0.00 175.26 179.52 1p93 n VAL 543 N 1.68 0.13 -2.29 2.63 0.24 -1.26 -4.96 118.33 114.49 1p93 n VAL 543 Ca -0.17 -0.02 -0.26 0.00 -2.04 0.00 0.00 64.34 61.85 1p93 n VAL 543 Cb 0.54 -1.22 0.12 0.00 -1.47 0.00 0.00 33.84 31.81 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 1.58 2.86 -0.07 1.34 1.43 -1.26 -4.94 118.68 119.62 1p93 s LEU 544 Ca 0.86 0.07 0.04 0.00 -1.03 0.00 0.00 54.13 54.07 1p93 s LEU 544 Cb -0.87 -2.43 -0.02 0.00 0.03 0.00 0.00 46.19 42.90 1p93 s LEU 544 CO 0.48 -2.02 -0.17 -0.31 0.23 0.00 0.00 176.35 174.56 1p93 s TYR 545 N -3.38 2.64 0.01 0.29 2.02 -1.26 -3.99 117.35 113.68 1p93 s TYR 545 Ca 0.66 -0.44 -0.02 0.00 -0.37 0.00 0.00 57.07 56.91 1p93 s TYR 545 Cb -0.07 -1.67 -0.00 0.00 -0.40 0.00 0.00 41.96 39.82 1p93 s TYR 545 CO 0.47 -0.03 1.02 0.00 -1.57 0.00 0.00 175.55 175.44 1p93 n ALA 546 N 2.78 -0.04 -0.16 3.71 0.00 -1.26 -4.87 120.51 120.67 1p93 n ALA 546 Ca -0.17 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1p93 n ALA 546 Cb 0.52 0.46 0.00 0.00 0.00 0.00 0.00 19.45 20.43 1p93 n ALA 546 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1p93 n GLY 547 N -1.02 0.92 3.53 0.00 0.00 -1.26 -4.81 105.19 102.56 1p93 n GLY 547 Ca 0.00 -0.02 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 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 1.39 -0.79 1.61 6.04 -1.26 -4.96 117.35 117.37 1p93 s TYR 548 Ca 0.00 1.37 0.21 0.00 0.04 0.00 0.00 57.07 58.69 1p93 s TYR 548 Cb 0.00 -3.16 -0.21 0.00 -1.04 0.00 0.00 41.96 37.54 1p93 s TYR 548 CO 0.00 -3.63 0.84 -3.47 -1.54 0.00 0.00 175.55 167.76 1p93 n ASP 549 N -4.77 0.77 0.00 4.32 -0.08 -1.26 -4.93 116.55 110.60 1p93 n ASP 549 Ca 0.05 -0.74 0.00 0.00 -1.51 0.00 0.00 54.79 52.59 1p93 n ASP 549 Cb 0.53 1.16 0.00 0.00 2.34 0.00 0.00 41.12 45.15 1p93 n ASP 549 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 1p93 n SER 550 N -1.67 0.00 -0.33 1.67 3.41 -1.26 -4.06 113.62 111.38 1p93 n SER 550 Ca 0.02 0.00 0.16 0.00 -0.26 0.00 0.00 58.87 58.79 1p93 n SER 550 Cb 0.38 0.00 0.31 0.00 -0.26 0.00 0.00 64.21 64.64 1p93 n SER 550 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1p93 n SER 551 N 0.00 -0.07 -4.72 4.04 3.41 -1.26 -4.20 113.62 110.82 1p93 n SER 551 Ca 0.00 1.63 -0.42 0.00 -0.26 0.00 0.00 58.87 59.82 1p93 n SER 551 Cb 0.00 -0.61 -0.03 0.00 -0.26 0.00 0.00 64.21 63.30 1p93 n SER 551 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1p93 s VAL 552 N -5.90 3.51 0.53 -3.33 1.01 -1.26 -4.94 120.40 110.02 1p93 s VAL 552 Ca -0.12 1.11 -0.18 0.00 0.00 0.00 0.00 61.98 62.79 1p93 s VAL 552 Cb 0.29 -3.71 -0.11 0.00 0.00 0.00 0.00 36.38 32.84 1p93 s VAL 552 CO 0.75 0.10 0.27 -2.65 0.00 0.00 0.00 175.10 173.57 1p93 n PRO 553 N 3.70 0.30 -1.19 2.72 -0.02 -1.26 -4.87 135.00 134.38 1p93 n PRO 553 Ca 0.10 0.12 -0.35 0.00 -2.02 0.00 0.00 63.50 61.35 1p93 n PRO 553 Cb 0.44 -1.41 0.11 0.00 -0.02 0.00 0.00 33.50 32.62 1p93 n PRO 553 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1p93 n ASP 554 N 1.35 0.31 -3.64 2.55 8.00 -1.26 -5.05 116.55 118.80 1p93 n ASP 554 Ca 0.10 0.60 -0.09 0.00 0.71 0.00 0.00 54.79 56.11 1p93 n ASP 554 Cb 0.47 -1.41 -0.07 0.00 -0.02 0.00 0.00 41.12 40.09 1p93 n ASP 554 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1p93 s SER 555 N -1.85 -0.84 0.02 -2.24 0.15 -1.26 -5.06 113.70 102.62 1p93 s SER 555 Ca 0.71 1.42 -0.07 0.00 0.70 0.00 0.00 55.95 58.71 1p93 s SER 555 Cb -0.31 1.38 -0.03 0.00 -1.71 0.00 0.00 66.02 65.35 1p93 s SER 555 CO 0.53 -0.23 1.12 0.74 1.20 0.00 0.00 173.24 176.59 1p93 h THR 556 N 4.65 0.00 -0.32 6.45 2.02 -1.97 0.32 112.91 124.06 1p93 h THR 556 Ca -0.30 0.00 0.05 0.00 0.77 0.00 0.00 66.41 66.93 1p93 h THR 556 Cb 1.20 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.60 1p93 h THR 556 CO 0.13 0.00 0.22 4.11 0.37 0.00 0.00 175.52 180.35 1p93 h TRP 557 N -0.16 0.22 -0.89 3.16 5.08 -1.94 -0.41 115.95 121.01 1p93 h TRP 557 Ca -0.00 0.01 -0.01 0.00 1.08 0.00 0.00 58.89 59.96 1p93 h TRP 557 Cb 0.16 -0.07 -0.04 0.00 -3.00 0.00 0.00 29.16 26.20 1p93 h TRP 557 CO -0.32 0.12 0.51 -0.09 -1.28 0.00 0.00 178.44 177.38 1p93 h ARG 558 N 0.22 1.23 0.23 0.12 2.43 -1.77 -3.03 114.38 113.81 1p93 h ARG 558 Ca 0.14 -0.13 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 1p93 h ARG 558 Cb 0.28 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 1p93 h ARG 558 CO -0.03 0.88 -0.11 0.82 -1.51 0.00 0.00 179.97 180.03 1p93 h ILE 559 N 1.24 0.72 -0.37 1.20 2.04 0.74 -3.28 117.51 119.81 1p93 h ILE 559 Ca 0.32 -0.94 0.07 0.00 1.00 0.00 0.00 64.86 65.31 1p93 h ILE 559 Cb -0.01 1.17 -0.07 0.00 -0.74 0.00 0.00 36.82 37.17 1p93 h ILE 559 CO -0.05 0.17 -0.07 0.24 0.00 0.00 0.00 178.15 178.44 1p93 h MET 560 N -0.86 0.03 -0.99 2.37 2.86 -1.45 -0.53 114.93 116.35 1p93 h MET 560 Ca -0.03 -0.00 0.26 0.00 -2.06 0.00 0.00 59.70 57.87 1p93 h MET 560 Cb 0.51 -0.01 -0.07 0.00 0.06 0.00 0.00 31.60 32.10 1p93 h MET 560 CO 0.05 0.02 0.67 1.15 1.06 0.00 0.00 176.91 179.86 1p93 h THR 561 N 0.03 0.56 -0.01 2.22 2.02 -1.66 0.84 112.91 116.89 1p93 h THR 561 Ca 0.18 -0.09 -0.03 0.00 0.77 0.00 0.00 66.41 67.24 1p93 h THR 561 Cb 0.26 0.28 0.00 0.00 -1.74 0.00 0.00 68.15 66.96 1p93 h THR 561 CO -0.36 0.05 -0.12 0.74 0.37 0.00 0.00 175.52 176.21 1p93 h THR 562 N 0.26 1.53 -0.75 3.16 2.02 -1.19 -2.46 112.91 115.48 1p93 h THR 562 Ca 0.52 -1.72 0.06 0.00 0.77 0.00 0.00 66.41 66.03 1p93 h THR 562 Cb 1.56 2.63 -0.06 0.00 -1.74 0.00 0.00 68.15 70.54 1p93 h THR 562 CO -0.16 0.46 0.44 -0.07 0.37 0.00 0.00 175.52 176.57 1p93 h LEU 563 N -0.55 0.68 -1.42 2.58 3.38 0.30 0.32 115.31 120.60 1p93 h LEU 563 Ca -0.01 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 1p93 h LEU 563 Cb 0.82 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 1p93 h LEU 563 CO 0.02 0.44 -0.13 0.78 0.09 0.00 0.00 178.44 179.65 1p93 h ASN 564 N 0.82 0.21 0.14 -0.43 2.35 0.50 1.47 115.58 120.63 1p93 h ASN 564 Ca 0.33 -0.04 -0.18 0.00 -0.55 0.00 0.00 56.30 55.86 1p93 h ASN 564 Cb 0.16 -0.05 -0.00 0.00 0.05 0.00 0.00 38.32 38.48 1p93 h ASN 564 CO -0.17 0.36 -0.68 0.24 -1.65 0.00 0.00 177.43 175.54 1p93 h MET 565 N 0.21 0.49 0.18 0.81 2.86 -0.46 -0.12 114.93 118.90 1p93 h MET 565 Ca 0.04 -0.37 -0.01 0.00 -2.06 0.00 0.00 59.70 57.30 1p93 h MET 565 Cb 0.36 0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.09 1p93 h MET 565 CO 0.02 0.99 -0.09 1.25 1.06 0.00 0.00 176.91 180.15 1p93 h LEU 566 N 0.35 -0.21 -0.59 1.22 5.85 0.47 -2.97 115.31 119.44 1p93 h LEU 566 Ca -0.02 -0.28 0.12 0.00 0.84 0.00 0.00 57.88 58.54 1p93 h LEU 566 Cb 1.24 0.05 -0.11 0.00 0.37 0.00 0.00 40.66 42.21 1p93 h LEU 566 CO 0.12 0.34 -0.18 1.23 -0.34 0.00 0.00 178.44 179.61 1p93 h GLY 567 N -0.94 0.35 0.10 3.75 0.00 0.20 0.12 103.07 106.64 1p93 h GLY 567 Ca -0.03 0.23 0.24 0.00 0.00 0.00 0.00 47.33 47.78 1p93 h GLY 567 CO 0.04 -0.23 0.64 -1.33 0.00 0.00 0.00 176.54 175.66 1p93 h GLY 568 N -0.03 0.89 1.88 4.60 0.00 -1.05 0.68 103.07 110.05 1p93 h GLY 568 Ca 0.28 -0.17 -0.07 0.00 0.00 0.00 0.00 47.33 47.37 1p93 h GLY 568 CO -0.62 -0.05 -0.40 3.21 0.00 0.00 0.00 176.54 178.67 1p93 h ARG 569 N 0.36 0.00 0.00 4.80 3.08 -0.67 -3.18 114.38 118.77 1p93 h ARG 569 Ca 0.52 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 60.42 1p93 h ARG 569 Cb 1.38 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.41 1p93 h ARG 569 CO -0.20 0.28 -0.71 1.96 -1.07 0.00 0.00 179.97 180.24 1p93 h GLN 570 N 0.00 0.00 0.14 0.04 4.20 0.18 -2.67 115.11 117.00 1p93 h GLN 570 Ca -0.01 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 1p93 h GLN 570 Cb 1.24 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.02 1p93 h GLN 570 CO 0.04 0.71 -0.07 0.28 -0.67 0.00 0.00 178.83 179.12 1p93 h VAL 571 N 0.00 0.98 -0.52 -0.54 2.07 -0.97 0.07 116.25 117.35 1p93 h VAL 571 Ca -0.01 -0.53 0.10 0.00 0.82 0.00 0.00 66.70 67.09 1p93 h VAL 571 Cb 1.47 1.31 -0.10 0.00 -1.52 0.00 0.00 31.29 32.45 1p93 h VAL 571 CO 0.09 0.13 -0.23 0.40 0.02 0.00 0.00 177.57 177.98 1p93 h ILE 572 N -0.44 0.32 -0.81 4.57 2.04 -1.55 0.45 117.51 122.09 1p93 h ILE 572 Ca -0.02 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.90 1p93 h ILE 572 Cb 0.35 0.32 -0.05 0.00 -0.74 0.00 0.00 36.82 36.70 1p93 h ILE 572 CO 0.03 0.00 0.53 0.00 0.00 0.00 0.00 178.15 178.71 1p93 h ALA 573 N 1.23 1.60 -0.11 1.87 0.00 -1.24 -1.86 119.26 120.74 1p93 h ALA 573 Ca 0.24 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1p93 h ALA 573 Cb 0.48 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1p93 h ALA 573 CO -0.59 0.28 0.04 0.00 0.00 0.00 0.00 179.25 178.99 1p93 h ALA 574 N 1.55 0.15 -0.96 0.00 0.00 0.17 0.58 119.26 120.76 1p93 h ALA 574 Ca 0.35 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1p93 h ALA 574 Cb 0.21 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1p93 h ALA 574 CO -0.12 -0.26 0.00 0.28 0.00 0.00 0.00 179.25 179.14 1p93 n VAL 575 N -4.91 0.00 -0.33 0.00 0.31 0.93 0.52 118.33 114.85 1p93 n VAL 575 Ca -0.05 1.34 0.20 0.00 -0.01 0.00 0.00 64.34 65.82 1p93 n VAL 575 Cb 0.12 -2.07 0.39 0.00 -0.91 0.00 0.00 33.84 31.37 1p93 n VAL 575 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1p93 n LYS 576 N -1.97 -0.07 -0.10 5.55 4.81 -0.96 0.15 118.16 125.56 1p93 n LYS 576 Ca 0.00 1.41 -0.07 0.00 -0.87 0.00 0.00 58.31 58.79 1p93 n LYS 576 Cb 0.00 -2.34 0.01 0.00 0.02 0.00 0.00 35.03 32.72 1p93 n LYS 576 CO 0.00 0.00 0.00 2.35 1.17 0.00 0.00 177.40 180.92 1p93 h TRP 577 N 0.00 0.24 0.46 5.64 7.01 0.39 -2.24 115.95 127.46 1p93 h TRP 577 Ca 0.67 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.67 1p93 h TRP 577 Cb 1.56 -0.06 -0.00 0.00 -2.10 0.00 0.00 29.16 28.56 1p93 h TRP 577 CO -0.32 0.11 -0.26 0.00 -2.79 0.00 0.00 178.44 175.18 1p93 h ALA 578 N 1.21 -0.68 -0.46 2.65 0.00 0.67 -2.14 119.26 120.51 1p93 h ALA 578 Ca 0.16 -0.14 0.13 0.00 0.00 0.00 0.00 54.91 55.06 1p93 h ALA 578 Cb 0.11 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1p93 h ALA 578 CO -0.15 -0.89 0.56 0.87 0.00 0.00 0.00 179.25 179.64 1p93 h LYS 579 N -0.68 0.00 0.00 0.00 1.57 -1.07 1.54 116.57 117.94 1p93 h LYS 579 Ca -0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1p93 h LYS 579 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.86 1p93 h LYS 579 CO 0.07 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.95 1p93 n ALA 580 N -2.27 2.03 -2.52 3.86 0.00 -0.81 -4.52 120.51 116.28 1p93 n ALA 580 Ca 0.09 -0.01 -0.42 0.00 0.00 0.00 0.00 53.44 53.10 1p93 n ALA 580 Cb 0.74 -1.41 -0.03 0.00 0.00 0.00 0.00 19.45 18.74 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 -3.13 4.62 -0.39 0.00 1.01 0.53 -4.98 121.20 118.87 1p93 s ILE 581 Ca 0.09 1.98 -0.27 0.00 0.00 0.00 0.00 60.65 62.45 1p93 s ILE 581 Cb 0.12 -4.27 -0.05 0.00 0.01 0.00 0.00 42.46 38.28 1p93 s ILE 581 CO 0.48 0.21 2.23 -2.84 0.00 0.00 0.00 174.94 175.02 1p93 s PRO 582 N 0.65 2.64 0.00 2.79 0.02 -1.26 -1.95 135.00 137.88 1p93 s PRO 582 Ca 0.51 1.57 0.00 0.00 0.02 0.00 0.00 61.00 63.10 1p93 s PRO 582 Cb -0.23 -4.45 0.00 0.00 0.02 0.00 0.00 34.50 29.84 1p93 s PRO 582 CO 0.29 -2.67 0.00 0.41 -0.33 0.00 0.00 177.00 174.71 1p93 n GLY 583 N 5.83 2.76 0.39 0.52 0.00 -1.26 -4.94 105.19 108.50 1p93 n GLY 583 Ca 0.31 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.89 -0.19 1.61 3.57 -1.70 -2.14 116.94 117.20 1p93 h PHE 584 Ca 0.00 -0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.53 1p93 h PHE 584 Cb 0.00 0.29 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 1p93 h PHE 584 CO 0.00 -0.54 0.52 0.00 -2.23 0.00 0.00 178.31 176.06 1p93 h ARG 585 N -1.20 0.00 0.04 1.11 3.08 -1.79 -0.11 114.38 115.50 1p93 h ARG 585 Ca -0.10 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 59.71 1p93 h ARG 585 Cb 0.75 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.78 1p93 h ARG 585 CO 0.16 0.00 -1.14 -0.91 -1.07 0.00 0.00 179.97 177.01 1p93 h ASN 586 N 0.00 0.13 -2.98 7.04 -0.26 -1.73 -3.47 115.58 114.32 1p93 h ASN 586 Ca 0.09 -0.15 -0.39 0.00 -0.56 0.00 0.00 56.30 55.29 1p93 h ASN 586 Cb 1.13 -0.04 0.22 0.00 -1.06 0.00 0.00 38.32 38.56 1p93 h ASN 586 CO -0.00 1.12 -0.14 0.18 -1.06 0.00 0.00 177.43 177.53 1p93 n LEU 587 N -3.38 -0.96 -4.72 1.61 4.77 -0.06 -4.89 117.00 109.37 1p93 n LEU 587 Ca -0.04 -0.61 -0.42 0.00 -0.03 0.00 0.00 56.01 54.91 1p93 n LEU 587 Cb 0.97 -1.09 -0.03 0.00 -2.33 0.00 0.00 43.42 40.94 1p93 n LEU 587 CO 0.49 -4.14 0.83 -2.28 -1.33 0.00 0.00 177.39 170.96 1p93 s HIS 588 N -2.21 3.51 0.47 -1.77 5.65 -1.26 -4.80 115.29 114.88 1p93 s HIS 588 Ca 0.67 1.43 0.29 0.00 0.25 0.00 0.00 55.06 57.71 1p93 s HIS 588 Cb -0.17 -3.33 1.37 0.00 -1.18 0.00 0.00 32.58 29.26 1p93 s HIS 588 CO 0.60 -0.90 1.75 1.25 -0.65 0.00 0.00 174.74 176.79 1p93 h LEU 589 N 6.51 0.21 -1.40 8.88 6.46 -1.90 2.11 115.31 136.18 1p93 h LEU 589 Ca -0.42 0.05 -0.03 0.00 -0.12 0.00 0.00 57.88 57.36 1p93 h LEU 589 Cb 1.21 0.02 -0.02 0.00 -0.73 0.00 0.00 40.66 41.15 1p93 h LEU 589 CO 0.78 0.01 0.04 0.44 -0.62 0.00 0.00 178.44 179.09 1p93 h ASP 590 N 0.17 0.40 0.00 1.25 3.32 -1.98 0.77 116.42 120.34 1p93 h ASP 590 Ca 0.63 -0.06 -0.07 0.00 0.02 0.00 0.00 57.03 57.56 1p93 h ASP 590 Cb 2.08 -0.10 0.01 0.00 0.22 0.00 0.00 39.33 41.54 1p93 h ASP 590 CO -0.18 0.44 -0.26 0.44 -1.72 0.00 0.00 179.24 177.96 1p93 h ASP 591 N 0.42 0.23 -0.88 6.45 5.19 0.29 -1.48 116.42 126.64 1p93 h ASP 591 Ca 0.10 -0.79 0.07 0.00 -0.62 0.00 0.00 57.03 55.79 1p93 h ASP 591 Cb 0.22 -0.07 -0.06 0.00 0.18 0.00 0.00 39.33 39.61 1p93 h ASP 591 CO 0.00 0.98 0.57 1.56 -3.12 0.00 0.00 179.24 179.24 1p93 h GLN 592 N -0.51 0.94 0.02 3.56 4.20 0.13 0.29 115.11 123.74 1p93 h GLN 592 Ca -0.03 -0.06 -0.13 0.00 0.06 0.00 0.00 58.65 58.49 1p93 h GLN 592 Cb 1.02 -0.21 0.01 0.00 0.30 0.00 0.00 27.48 28.60 1p93 h GLN 592 CO 0.05 0.62 -0.51 1.98 -0.67 0.00 0.00 178.83 180.31 1p93 h MET 593 N 0.97 0.32 0.00 1.46 4.05 0.51 -2.99 114.93 119.25 1p93 h MET 593 Ca 0.38 -0.36 -0.08 0.00 -0.28 0.00 0.00 59.70 59.36 1p93 h MET 593 Cb 0.24 0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 31.13 1p93 h MET 593 CO -0.14 1.06 -0.36 1.79 0.23 0.00 0.00 176.91 179.49 1p93 h THR 594 N -0.28 1.13 0.06 -0.77 1.35 -0.96 -1.77 112.91 111.68 1p93 h THR 594 Ca -0.07 -1.30 -0.00 0.00 -0.55 0.00 0.00 66.41 64.49 1p93 h THR 594 Cb 1.26 1.73 0.00 0.00 -1.73 0.00 0.00 68.15 69.40 1p93 h THR 594 CO 0.10 0.36 -0.03 -0.07 -0.25 0.00 0.00 175.52 175.63 1p93 h LEU 595 N 0.00 -0.07 -2.44 3.87 3.38 -0.49 -0.98 115.31 118.58 1p93 h LEU 595 Ca -0.00 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 57.68 1p93 h LEU 595 Cb 0.70 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.47 1p93 h LEU 595 CO 0.05 0.25 -0.02 -0.07 0.09 0.00 0.00 178.44 178.73 1p93 h LEU 596 N -0.40 0.00 -0.98 1.67 3.38 -1.46 -2.32 115.31 115.19 1p93 h LEU 596 Ca -0.01 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 1p93 h LEU 596 Cb 0.35 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1p93 h LEU 596 CO 0.01 0.02 -0.19 1.56 0.09 0.00 0.00 178.44 179.94 1p93 h GLN 597 N 0.00 0.52 0.00 1.13 4.20 -0.26 -2.86 115.11 117.84 1p93 h GLN 597 Ca -0.00 -0.17 -0.20 0.00 0.06 0.00 0.00 58.65 58.33 1p93 h GLN 597 Cb 0.16 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.87 1p93 h GLN 597 CO 0.00 0.68 -1.46 0.98 -0.67 0.00 0.00 178.83 178.36 1p93 n TYR 598 N -4.16 0.40 -0.13 2.96 9.36 -0.91 -4.52 117.16 120.16 1p93 n TYR 598 Ca 0.00 0.17 0.27 0.00 3.32 0.00 0.00 57.90 61.67 1p93 n TYR 598 Cb 0.37 -0.84 0.72 0.00 -0.63 0.00 0.00 39.34 38.95 1p93 n TYR 598 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 1p93 h SER 599 N -1.00 0.00 -0.99 2.98 4.64 -1.61 -3.24 113.55 114.34 1p93 h SER 599 Ca -0.30 0.00 0.28 0.00 -0.47 0.00 0.00 61.79 61.29 1p93 h SER 599 Cb 1.17 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 63.08 1p93 h SER 599 CO -0.18 0.00 0.05 -2.67 -0.87 0.00 0.00 176.83 173.15 1p93 n TRP 600 N -4.01 0.66 -0.04 4.77 4.27 -1.08 0.72 117.44 122.73 1p93 n TRP 600 Ca 0.17 1.19 -0.16 0.00 -3.89 0.00 0.00 57.50 54.81 1p93 n TRP 600 Cb 0.96 -1.26 -0.13 0.00 -1.36 0.00 0.00 31.31 29.52 1p93 n TRP 600 CO 0.00 0.00 0.00 1.98 -2.29 0.00 0.00 177.69 177.38 1p93 h MET 601 N 0.00 0.07 -1.00 -2.67 4.05 -1.88 -2.80 114.93 110.70 1p93 h MET 601 Ca 0.61 -0.12 0.39 0.00 -0.28 0.00 0.00 59.70 60.30 1p93 h MET 601 Cb 1.28 0.04 -0.18 0.00 -0.80 0.00 0.00 31.60 31.95 1p93 h MET 601 CO -0.92 1.06 0.46 1.03 0.23 0.00 0.00 176.91 178.76 1p93 h SER 602 N -0.85 0.20 0.14 1.39 0.87 -0.96 0.29 113.55 114.62 1p93 h SER 602 Ca -0.05 0.26 -0.01 0.00 -1.23 0.00 0.00 61.79 60.77 1p93 h SER 602 Cb 1.16 0.30 0.00 0.00 -0.44 0.00 0.00 62.40 63.42 1p93 h SER 602 CO 0.03 -0.41 -0.07 -0.07 -0.53 0.00 0.00 176.83 175.78 1p93 h LEU 603 N 0.02 -0.16 -0.51 2.23 3.38 0.25 -3.29 115.31 117.23 1p93 h LEU 603 Ca 0.80 -0.32 0.08 0.00 0.09 0.00 0.00 57.88 58.54 1p93 h LEU 603 Cb 2.05 0.04 -0.10 0.00 0.09 0.00 0.00 40.66 42.74 1p93 h LEU 603 CO -0.79 0.43 -0.41 0.24 0.09 0.00 0.00 178.44 178.00 1p93 h MET 604 N -0.95 -0.25 -1.32 1.13 2.86 -0.73 0.27 114.93 115.95 1p93 h MET 604 Ca -0.02 0.02 0.38 0.00 -2.06 0.00 0.00 59.70 58.02 1p93 h MET 604 Cb 0.47 0.06 -0.05 0.00 0.06 0.00 0.00 31.60 32.13 1p93 h MET 604 CO 0.03 -0.16 0.97 0.00 1.06 0.00 0.00 176.91 178.80 1p93 h ALA 605 N 0.61 3.24 0.00 6.32 0.00 -1.28 0.74 119.26 128.89 1p93 h ALA 605 Ca 0.17 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 1p93 h ALA 605 Cb 0.57 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1p93 h ALA 605 CO -0.64 -1.64 -0.42 0.35 0.00 0.00 0.00 179.25 176.90 1p93 h PHE 606 N 0.00 0.00 -0.59 0.00 3.57 -0.58 -2.55 116.94 116.79 1p93 h PHE 606 Ca 0.63 0.00 0.11 0.00 3.53 0.00 0.00 57.97 62.24 1p93 h PHE 606 Cb 2.55 0.00 -0.09 0.00 2.79 0.00 0.00 35.95 41.20 1p93 h PHE 606 CO 0.00 0.58 0.12 0.00 -2.23 0.00 0.00 178.31 176.78 1p93 h ALA 607 N -0.65 0.70 -1.08 2.41 0.00 -0.63 -0.53 119.26 119.48 1p93 h ALA 607 Ca -0.08 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1p93 h ALA 607 Cb 0.66 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1p93 h ALA 607 CO -0.05 -0.31 0.00 -0.11 0.00 0.00 0.00 179.25 178.78 1p93 n LEU 608 N -5.13 0.00 -0.21 0.00 7.94 0.20 -0.93 117.00 118.86 1p93 n LEU 608 Ca 0.09 0.82 0.16 0.00 -1.11 0.00 0.00 56.01 55.97 1p93 n LEU 608 Cb 0.32 -0.32 0.30 0.00 0.53 0.00 0.00 43.42 44.24 1p93 n LEU 608 CO 0.17 -0.32 0.61 0.61 -1.11 0.00 0.00 177.39 177.35 1p93 n GLY 609 N -0.89 -0.66 0.13 -3.96 0.00 -0.79 0.13 105.19 99.14 1p93 n GLY 609 Ca 0.00 0.57 -0.13 0.00 0.00 0.00 0.00 46.02 46.46 1p93 n GLY 609 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 1p93 h TRP 610 N 0.00 0.38 -0.88 1.61 2.91 -0.68 0.28 115.95 119.56 1p93 h TRP 610 Ca 0.48 -0.11 0.03 0.00 1.13 0.00 0.00 58.89 60.42 1p93 h TRP 610 Cb 1.17 -0.08 -0.05 0.00 -0.51 0.00 0.00 29.16 29.69 1p93 h TRP 610 CO -0.15 0.72 0.58 0.00 -1.03 0.00 0.00 178.44 178.56 1p93 h ARG 611 N -0.07 1.09 0.00 2.65 3.08 0.30 -1.38 114.38 120.04 1p93 h ARG 611 Ca 0.02 -0.07 -0.07 0.00 0.07 0.00 0.00 59.98 59.93 1p93 h ARG 611 Cb 0.66 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 1p93 h ARG 611 CO 0.03 0.72 -0.36 0.77 -1.07 0.00 0.00 179.97 180.06 1p93 h SER 612 N 1.12 0.00 -0.07 7.04 0.02 0.18 -2.71 113.55 119.12 1p93 h SER 612 Ca 0.35 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.30 1p93 h SER 612 Cb -0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1p93 h SER 612 CO -0.10 0.36 0.00 0.00 -1.14 0.00 0.00 176.83 175.95 1p93 n TYR 613 N -4.10 0.08 -0.07 3.45 9.36 0.92 -3.41 117.16 123.40 1p93 n TYR 613 Ca -0.02 -0.04 -0.11 0.00 3.32 0.00 0.00 57.90 61.05 1p93 n TYR 613 Cb 0.40 0.00 0.09 0.00 -0.63 0.00 0.00 39.34 39.20 1p93 n TYR 613 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1p93 n ARG 614 N 0.36 1.63 0.00 2.98 3.00 -0.68 -4.63 116.66 119.32 1p93 n ARG 614 Ca 0.18 -1.45 0.00 0.00 -0.01 0.00 0.00 57.85 56.56 1p93 n ARG 614 Cb 0.38 -1.58 0.00 0.00 0.00 0.00 0.00 32.46 31.26 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 -0.28 0.00 -1.49 5.56 0.00 -1.26 -5.07 117.38 114.83 1p93 n GLN 615 Ca 0.29 0.00 -0.14 0.00 0.00 0.00 0.00 57.00 57.15 1p93 n GLN 615 Cb 1.06 0.00 -0.11 0.00 0.00 0.00 0.00 30.24 31.19 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 0.57 0.01 2.61 2.88 -1.22 -4.69 113.62 113.77 1p93 n SER 616 Ca 0.00 -1.46 -0.18 0.00 -1.33 0.00 0.00 58.87 55.91 1p93 n SER 616 Cb 0.00 -1.31 -0.12 0.00 -0.75 0.00 0.00 64.21 62.03 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 11.74 0.41 0.00 -3.46 0.02 -1.92 -3.20 113.55 117.14 1p93 h SER 617 Ca 0.01 -0.85 0.00 0.00 -0.84 0.00 0.00 61.79 60.11 1p93 h SER 617 Cb 1.03 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.44 1p93 h SER 617 CO 1.15 1.21 0.00 0.00 -1.14 0.00 0.00 176.83 178.05 1p93 n ALA 618 N -2.61 1.76 0.00 3.77 0.00 -1.26 -4.67 120.51 117.50 1p93 n ALA 618 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1p93 n ALA 618 Cb 0.67 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.87 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 1.21 0.00 -0.04 0.00 3.02 -1.21 -4.90 115.26 113.34 1p93 n ASN 619 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1p93 n ASN 619 Cb 0.09 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.26 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 0.00 -4.51 3.41 4.77 -1.26 -4.81 117.00 114.60 1p93 n LEU 620 Ca 0.00 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.56 1p93 n LEU 620 Cb 0.00 -0.07 -0.10 0.00 -2.33 0.00 0.00 43.42 40.93 1p93 n LEU 620 CO 0.00 0.00 -0.02 -0.76 -1.33 0.00 0.00 177.39 175.28 1p93 s LEU 621 N -0.14 4.70 -0.85 2.23 1.43 -1.12 -4.80 118.68 120.13 1p93 s LEU 621 Ca 0.00 -0.52 -0.19 0.00 -1.03 0.00 0.00 54.13 52.39 1p93 s LEU 621 Cb 0.00 -2.25 0.13 0.00 0.03 0.00 0.00 46.19 44.10 1p93 s LEU 621 CO 0.00 -0.38 1.02 0.00 0.23 0.00 0.00 176.35 177.22 1p93 h PHE 623 N 8.85 0.57 -3.94 0.00 0.04 -1.86 -3.38 116.94 117.22 1p93 h PHE 623 Ca 0.04 -0.26 -0.11 0.00 2.80 0.00 0.00 57.97 60.44 1p93 h PHE 623 Cb 1.04 -0.09 -0.16 0.00 2.20 0.00 0.00 35.95 38.95 1p93 h PHE 623 CO 1.09 1.03 -0.52 0.00 -0.60 0.00 0.00 178.31 179.31 1p93 s ALA 624 N -3.57 0.06 0.35 2.45 0.00 -0.83 -4.90 121.76 115.31 1p93 s ALA 624 Ca -0.13 -0.78 0.08 0.00 0.00 0.00 0.00 51.96 51.13 1p93 s ALA 624 Cb 0.04 0.34 0.80 0.00 0.00 0.00 0.00 23.12 24.30 1p93 s ALA 624 CO 0.80 -0.40 1.87 -1.35 0.00 0.00 0.00 175.76 176.69 1p93 h PRO 625 N 3.20 0.69 -0.66 0.00 0.11 -1.91 -1.19 132.00 132.24 1p93 h PRO 625 Ca -0.33 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1p93 h PRO 625 Cb 1.18 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.13 1p93 h PRO 625 CO 0.57 0.46 0.00 -0.40 -0.21 0.00 0.00 178.00 178.42 1p93 n ASP 626 N -4.56 3.79 -3.41 -2.05 3.85 -1.26 -4.78 116.55 108.13 1p93 n ASP 626 Ca 0.17 -2.12 -0.19 0.00 -0.71 0.00 0.00 54.79 51.94 1p93 n ASP 626 Cb 0.45 -0.48 -0.10 0.00 -1.35 0.00 0.00 41.12 39.64 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 -1.22 -0.06 0.17 -2.12 2.96 -0.45 -4.90 118.68 113.07 1p93 s LEU 627 Ca 0.45 -1.04 0.09 0.00 -0.22 0.00 0.00 54.13 53.41 1p93 s LEU 627 Cb 0.25 0.37 -0.04 0.00 0.50 0.00 0.00 46.19 47.27 1p93 s LEU 627 CO 0.28 -0.37 -0.19 -0.63 -1.32 0.00 0.00 176.35 174.12 1p93 s ILE 628 N 2.10 1.92 -0.37 6.68 1.09 -1.26 -1.97 121.20 129.39 1p93 s ILE 628 Ca 0.11 -1.95 -0.09 0.00 -1.10 0.00 0.00 60.65 57.62 1p93 s ILE 628 Cb -0.15 -1.90 0.04 0.00 -1.06 0.00 0.00 42.46 39.39 1p93 s ILE 628 CO -0.26 -0.29 0.17 -0.63 -0.10 0.00 0.00 174.94 173.83 1p93 s ILE 629 N -2.00 4.25 0.00 2.92 1.01 -0.75 -4.97 121.20 121.65 1p93 s ILE 629 Ca 0.17 -1.02 0.00 0.00 0.00 0.00 0.00 60.65 59.80 1p93 s ILE 629 Cb -0.06 -3.41 0.00 0.00 0.01 0.00 0.00 42.46 39.00 1p93 s ILE 629 CO 0.07 -0.24 0.00 -0.46 0.00 0.00 0.00 174.94 174.31 1p93 n ASN 630 N 4.92 0.00 0.00 3.58 0.23 -1.26 -2.80 115.26 119.93 1p93 n ASN 630 Ca -0.12 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.93 1p93 n ASN 630 Cb 0.45 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.15 1p93 n ASN 630 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 1p93 n GLU 631 N 0.00 0.00 0.00 -3.83 -0.00 -1.26 -3.64 120.64 111.91 1p93 n GLU 631 Ca 0.00 0.14 0.00 0.00 -0.00 0.00 0.00 57.16 57.30 1p93 n GLU 631 Cb 0.00 -0.67 0.00 0.00 -0.00 0.00 0.00 31.44 30.77 1p93 n GLU 631 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1p93 n GLN 632 N -0.91 0.00 -0.00 3.44 0.00 -1.26 0.89 117.38 119.54 1p93 n GLN 632 Ca 0.00 0.09 0.10 0.00 0.00 0.00 0.00 57.00 57.19 1p93 n GLN 632 Cb 0.00 -1.52 -0.12 0.00 0.00 0.00 0.00 30.24 28.60 1p93 n GLN 632 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.06 174.93 1p93 n ARG 633 N -1.02 0.13 0.03 2.61 0.63 -1.26 -3.88 116.66 113.89 1p93 n ARG 633 Ca 0.00 -0.02 0.11 0.00 -0.92 0.00 0.00 57.85 57.02 1p93 n ARG 633 Cb 0.02 -1.49 0.00 0.00 0.45 0.00 0.00 32.46 31.44 1p93 n ARG 633 CO 0.00 0.00 0.00 -0.12 -2.51 0.00 0.00 177.63 175.00 1p93 n MET 634 N -1.56 0.32 0.28 -0.14 1.56 0.26 -3.80 117.12 114.03 1p93 n MET 634 Ca 0.03 -0.01 0.18 0.00 -0.27 0.00 0.00 57.70 57.63 1p93 n MET 634 Cb 0.35 -1.60 0.72 0.00 2.15 0.00 0.00 33.22 34.84 1p93 n MET 634 CO 0.00 0.00 0.00 1.79 -0.73 0.00 0.00 175.97 177.03 1p93 h THR 635 N 0.00 0.00 -3.39 1.12 1.35 -1.62 -3.31 112.91 107.06 1p93 h THR 635 Ca 0.00 -0.47 -0.57 0.00 -0.55 0.00 0.00 66.41 64.82 1p93 h THR 635 Cb 0.76 1.46 0.13 0.00 -1.73 0.00 0.00 68.15 68.76 1p93 h THR 635 CO 0.00 0.00 0.38 0.18 -0.25 0.00 0.00 175.52 175.83 1p93 n LEU 636 N -3.06 3.60 -4.64 3.87 4.32 -1.25 -4.85 117.00 114.99 1p93 n LEU 636 Ca 0.00 1.07 -0.58 0.00 -0.02 0.00 0.00 56.01 56.48 1p93 n LEU 636 Cb 0.29 -1.45 -0.08 0.00 -1.62 0.00 0.00 43.42 40.56 1p93 n LEU 636 CO 0.26 -0.96 1.01 -2.65 -1.22 0.00 0.00 177.39 173.84 1p93 n PRO 637 N 0.01 0.69 -3.88 3.23 -0.02 -1.26 -2.08 135.00 131.68 1p93 n PRO 637 Ca 0.08 0.25 -0.25 0.00 -2.02 0.00 0.00 63.50 61.56 1p93 n PRO 637 Cb 0.40 -1.85 -0.01 0.00 -0.02 0.00 0.00 33.50 32.02 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 3.45 -0.73 -0.05 2.55 8.00 -1.26 -4.90 116.55 123.61 1p93 n ASP 638 Ca 0.24 -0.97 -0.06 0.00 0.71 0.00 0.00 54.79 54.71 1p93 n ASP 638 Cb 0.10 -3.28 -0.02 0.00 -0.02 0.00 0.00 41.12 37.90 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 -4.36 0.34 0.09 -1.24 1.56 -0.88 -4.49 117.12 108.14 1p93 n MET 639 Ca -0.30 0.14 0.09 0.00 -0.27 0.00 0.00 57.70 57.35 1p93 n MET 639 Cb 0.68 -1.09 0.39 0.00 2.15 0.00 0.00 33.22 35.36 1p93 n MET 639 CO 0.00 0.00 0.00 0.98 -0.73 0.00 0.00 175.97 176.22 1p93 n TYR 640 N -3.91 0.48 0.31 1.12 9.36 -1.25 -1.94 117.16 121.33 1p93 n TYR 640 Ca -0.09 0.21 0.20 0.00 3.32 0.00 0.00 57.90 61.54 1p93 n TYR 640 Cb 0.34 -0.84 1.04 0.00 -0.63 0.00 0.00 39.34 39.24 1p93 n TYR 640 CO 0.00 0.00 0.00 0.22 0.22 0.00 0.00 176.86 177.30 1p93 h ASP 641 N 0.00 0.00 0.00 2.98 1.82 -1.93 -2.83 116.42 116.46 1p93 h ASP 641 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1p93 h ASP 641 Cb 0.18 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.19 1p93 h ASP 641 CO 0.00 0.02 -0.95 0.00 -1.61 0.00 0.00 179.24 176.69 1p93 n GLN 642 N -3.28 3.26 -0.16 0.28 10.64 -0.82 -4.74 117.38 122.57 1p93 n GLN 642 Ca -0.02 0.00 -0.09 0.00 -1.83 0.00 0.00 57.00 55.05 1p93 n GLN 642 Cb 0.13 -0.98 0.04 0.00 -0.86 0.00 0.00 30.24 28.57 1p93 n GLN 642 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1p93 n LYS 644 N -4.14 -0.07 0.17 0.00 2.85 -1.07 0.23 118.16 116.12 1p93 n LYS 644 Ca 0.01 1.39 0.13 0.00 -1.05 0.00 0.00 58.31 58.79 1p93 n LYS 644 Cb 0.41 -2.25 0.55 0.00 -0.65 0.00 0.00 35.03 33.08 1p93 n LYS 644 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1p93 h HIS 645 N 0.00 0.00 0.00 5.58 3.86 -1.81 -1.45 115.15 121.32 1p93 h HIS 645 Ca 0.61 0.00 -0.38 0.00 -1.16 0.00 0.00 60.37 59.44 1p93 h HIS 645 Cb 1.35 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 29.75 1p93 h HIS 645 CO -0.39 0.00 -2.44 -1.33 0.86 0.00 0.00 177.93 174.63 1p93 n MET 646 N -2.44 0.67 0.02 2.45 2.81 0.62 -4.12 117.12 117.13 1p93 n MET 646 Ca 0.02 0.08 0.03 0.00 -1.81 0.00 0.00 57.70 56.02 1p93 n MET 646 Cb 0.23 -1.52 0.39 0.00 -0.71 0.00 0.00 33.22 31.62 1p93 n MET 646 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 1p93 h LEU 647 N 0.00 0.44 -0.39 4.03 -0.00 0.21 -2.20 115.31 117.40 1p93 h LEU 647 Ca -0.57 -0.04 0.08 0.00 -0.00 0.00 0.00 57.88 57.36 1p93 h LEU 647 Cb 2.04 -0.11 -0.09 0.00 -0.00 0.00 0.00 40.66 42.50 1p93 h LEU 647 CO -0.04 0.39 -0.29 0.22 -0.00 0.00 0.00 178.44 178.72 1p93 h TYR 648 N 0.50 -0.80 0.15 1.13 3.20 -1.42 -1.72 116.97 118.00 1p93 h TYR 648 Ca 0.13 0.05 -0.00 0.00 3.14 0.00 0.00 58.73 62.05 1p93 h TYR 648 Cb 0.08 0.41 -0.01 0.00 1.54 0.00 0.00 36.73 38.74 1p93 h TYR 648 CO 0.00 -0.36 -0.23 0.28 -1.64 0.00 0.00 178.16 176.21 1p93 h VAL 649 N -0.23 0.00 -0.75 1.81 2.07 -1.57 0.60 116.25 118.18 1p93 h VAL 649 Ca 0.18 0.00 0.22 0.00 0.82 0.00 0.00 66.70 67.91 1p93 h VAL 649 Cb 0.52 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.26 1p93 h VAL 649 CO -0.52 0.00 0.55 0.77 0.02 0.00 0.00 177.57 178.39 1p93 h SER 650 N -0.40 0.00 1.04 0.57 4.64 -1.51 2.20 113.55 120.09 1p93 h SER 650 Ca -0.02 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.16 1p93 h SER 650 Cb 0.37 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.43 1p93 h SER 650 CO -0.07 0.00 -1.02 0.77 -0.87 0.00 0.00 176.83 175.64 1p93 h SER 651 N 0.00 0.00 0.27 4.97 4.64 -1.00 0.86 113.55 123.29 1p93 h SER 651 Ca 0.35 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 61.34 1p93 h SER 651 Cb 1.44 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 63.56 1p93 h SER 651 CO -0.00 0.55 -1.54 -0.08 -0.87 0.00 0.00 176.83 174.89 1p93 h GLU 652 N 0.00 0.49 -0.43 4.77 4.57 0.51 -0.99 114.58 123.50 1p93 h GLU 652 Ca -0.09 -0.83 -0.08 0.00 -1.18 0.00 0.00 59.36 57.18 1p93 h GLU 652 Cb 1.50 0.31 -0.02 0.00 -0.16 0.00 0.00 28.75 30.38 1p93 h GLU 652 CO 0.06 1.40 -0.06 1.25 -1.18 0.00 0.00 179.01 180.48 1p93 h LEU 653 N 0.13 0.71 0.57 1.64 5.85 0.33 -3.13 115.31 121.42 1p93 h LEU 653 Ca -0.27 -0.19 -0.03 0.00 0.84 0.00 0.00 57.88 58.23 1p93 h LEU 653 Cb 2.14 -0.19 0.01 0.00 0.37 0.00 0.00 40.66 42.99 1p93 h LEU 653 CO 0.25 0.82 -0.28 -0.74 -0.34 0.00 0.00 178.44 178.15 1p93 h HIS 654 N 0.68 -0.72 -0.91 1.25 2.76 -0.80 -3.13 115.15 114.28 1p93 h HIS 654 Ca 0.13 -0.02 0.27 0.00 -2.20 0.00 0.00 60.37 58.54 1p93 h HIS 654 Cb 0.50 0.24 -0.04 0.00 1.55 0.00 0.00 27.41 29.66 1p93 h HIS 654 CO 0.02 -0.45 1.20 -0.09 -1.30 0.00 0.00 177.93 177.31 1p93 h ARG 655 N -1.02 0.00 -0.10 5.26 2.43 -1.12 0.52 114.38 120.34 1p93 h ARG 655 Ca -0.08 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 1p93 h ARG 655 Cb 0.59 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.14 1p93 h ARG 655 CO 0.13 0.00 0.00 1.28 -1.51 0.00 0.00 179.97 179.87 1p93 n LEU 656 N -3.16 2.21 -3.87 3.80 7.99 -1.20 -4.99 117.00 117.77 1p93 n LEU 656 Ca 0.21 -1.27 -0.31 0.00 -0.01 0.00 0.00 56.01 54.63 1p93 n LEU 656 Cb 1.47 -0.06 0.01 0.00 -0.11 0.00 0.00 43.42 44.72 1p93 n LEU 656 CO 0.21 0.47 0.04 0.00 -1.51 0.00 0.00 177.39 176.59 1p93 n GLN 657 N 0.60 -4.41 -1.60 3.23 1.13 0.18 -4.86 117.38 111.65 1p93 n GLN 657 Ca 0.08 0.52 -0.40 0.00 -1.94 0.00 0.00 57.00 55.26 1p93 n GLN 657 Cb 0.32 -5.33 0.03 0.00 0.11 0.00 0.00 30.24 25.37 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 -4.45 2.89 -3.89 5.09 0.31 -1.21 -4.98 118.33 112.10 1p93 n VAL 658 Ca 0.04 -0.50 -0.24 0.00 -0.01 0.00 0.00 64.34 63.63 1p93 n VAL 658 Cb 0.52 -1.13 -0.02 0.00 -0.91 0.00 0.00 33.84 32.30 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 -0.96 6.33 0.43 4.52 1.04 -1.26 -4.92 113.70 118.88 1p93 s SER 659 Ca 0.68 0.17 0.21 0.00 0.48 0.00 0.00 55.95 57.49 1p93 s SER 659 Cb -0.49 -1.91 1.17 0.00 0.10 0.00 0.00 66.02 64.90 1p93 s SER 659 CO 0.53 -0.04 1.81 0.22 0.98 0.00 0.00 173.24 176.74 1p93 h TYR 660 N 1.59 0.51 -0.22 5.02 3.20 -1.98 0.27 116.97 125.35 1p93 h TYR 660 Ca -0.50 0.02 -0.20 0.00 3.14 0.00 0.00 58.73 61.19 1p93 h TYR 660 Cb 1.21 -0.15 0.01 0.00 1.54 0.00 0.00 36.73 39.34 1p93 h TYR 660 CO 0.50 0.08 -0.63 0.93 -1.64 0.00 0.00 178.16 177.39 1p93 h GLU 661 N 0.33 0.81 -0.04 1.82 5.08 -1.94 0.14 114.58 120.78 1p93 h GLU 661 Ca 0.54 -0.58 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1p93 h GLU 661 Cb 1.50 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.84 1p93 h GLU 661 CO -0.21 1.20 -0.01 0.93 -1.00 0.00 0.00 179.01 179.93 1p93 h GLU 662 N 0.56 0.08 -0.17 2.33 5.08 -1.45 -2.93 114.58 118.08 1p93 h GLU 662 Ca -0.02 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1p93 h GLU 662 Cb 1.25 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.47 1p93 h GLU 662 CO 0.14 0.42 -0.18 -0.92 -1.00 0.00 0.00 179.01 177.46 1p93 h TYR 663 N -0.26 -0.56 -0.98 4.33 3.20 -0.48 -1.17 116.97 121.04 1p93 h TYR 663 Ca 0.01 0.03 0.30 0.00 3.14 0.00 0.00 58.73 62.22 1p93 h TYR 663 Cb 0.39 0.27 -0.18 0.00 1.54 0.00 0.00 36.73 38.75 1p93 h TYR 663 CO 0.05 -0.15 0.18 -0.07 -1.64 0.00 0.00 178.16 176.53 1p93 h LEU 664 N -0.10 -0.22 -0.50 2.82 3.38 -0.70 0.56 115.31 120.55 1p93 h LEU 664 Ca 0.03 0.27 -0.16 0.00 0.09 0.00 0.00 57.88 58.11 1p93 h LEU 664 Cb 0.18 0.41 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 1p93 h LEU 664 CO -0.21 -0.35 -0.75 0.00 0.09 0.00 0.00 178.44 177.21 1p93 h MET 666 N 0.02 0.25 -0.68 0.00 2.86 0.11 0.24 114.93 117.73 1p93 h MET 666 Ca -0.01 -0.25 0.13 0.00 -2.06 0.00 0.00 59.70 57.50 1p93 h MET 666 Cb 1.33 0.07 -0.04 0.00 0.06 0.00 0.00 31.60 33.01 1p93 h MET 666 CO 0.10 0.95 0.46 -0.22 1.06 0.00 0.00 176.91 179.26 1p93 h LYS 667 N -0.35 0.40 -0.17 1.72 3.64 -0.33 0.42 116.57 121.90 1p93 h LYS 667 Ca -0.04 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.24 1p93 h LYS 667 Cb 1.06 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.79 1p93 h LYS 667 CO 0.07 0.26 -0.20 1.15 -2.27 0.00 0.00 179.45 178.46 1p93 h THR 668 N 0.41 1.34 -0.71 1.00 2.02 -1.31 -3.17 112.91 112.50 1p93 h THR 668 Ca 0.33 -1.39 -0.01 0.00 0.77 0.00 0.00 66.41 66.10 1p93 h THR 668 Cb 0.71 1.87 -0.03 0.00 -1.74 0.00 0.00 68.15 68.96 1p93 h THR 668 CO -0.10 0.42 0.38 -0.07 0.37 0.00 0.00 175.52 176.52 1p93 h LEU 669 N 0.07 0.88 -1.99 2.58 3.38 0.15 -1.89 115.31 118.49 1p93 h LEU 669 Ca 0.02 -0.07 0.09 0.00 0.09 0.00 0.00 57.88 58.01 1p93 h LEU 669 Cb 0.75 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1p93 h LEU 669 CO 0.05 0.71 0.22 -0.07 0.09 0.00 0.00 178.44 179.44 1p93 h LEU 670 N 0.99 0.01 -1.94 1.67 3.38 -0.31 0.91 115.31 120.02 1p93 h LEU 670 Ca 0.25 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.22 1p93 h LEU 670 Cb 0.03 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 1p93 h LEU 670 CO -0.04 0.01 -0.02 0.25 0.09 0.00 0.00 178.44 178.73 1p93 h LEU 671 N 0.02 0.00 -3.11 1.67 6.46 -1.38 -2.43 115.31 116.53 1p93 h LEU 671 Ca 0.15 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.91 1p93 h LEU 671 Cb 0.57 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.50 1p93 h LEU 671 CO -0.00 0.02 0.00 0.18 -0.62 0.00 0.00 178.44 178.02 1p93 n LEU 672 N -3.16 3.59 -0.04 2.25 4.77 0.31 -4.63 117.00 120.09 1p93 n LEU 672 Ca -0.01 -2.57 -0.09 0.00 -0.03 0.00 0.00 56.01 53.31 1p93 n LEU 672 Cb 0.24 -0.42 0.07 0.00 -2.33 0.00 0.00 43.42 40.98 1p93 n LEU 672 CO 0.26 0.70 0.59 0.28 -1.33 0.00 0.00 177.39 177.89 1p93 h SER 673 N 2.06 0.71 -3.33 -1.43 0.02 -0.87 -3.46 113.55 107.25 1p93 h SER 673 Ca 0.00 -0.31 -0.65 0.00 -0.84 0.00 0.00 61.79 59.98 1p93 h SER 673 Cb 1.17 -0.20 -0.17 0.00 0.14 0.00 0.00 62.40 63.34 1p93 h SER 673 CO 0.14 1.02 -0.79 -0.44 -1.14 0.00 0.00 176.83 175.62 1p93 s SER 674 N -6.84 3.83 0.13 3.07 0.01 -1.26 0.10 113.70 112.73 1p93 s SER 674 Ca -0.08 -0.67 -0.01 0.00 1.31 0.00 0.00 55.95 56.50 1p93 s SER 674 Cb 0.12 -0.49 -0.04 0.00 0.21 0.00 0.00 66.02 65.82 1p93 s SER 674 CO 0.84 0.14 0.04 0.68 0.41 0.00 0.00 173.24 175.34 1p93 s VAL 675 N -1.49 0.20 0.00 3.43 -7.23 -1.06 -4.93 120.40 109.32 1p93 s VAL 675 Ca 0.21 -1.91 0.00 0.00 -1.81 0.00 0.00 61.98 58.47 1p93 s VAL 675 Cb -0.09 -1.99 0.00 0.00 0.56 0.00 0.00 36.38 34.86 1p93 s VAL 675 CO 0.11 -0.53 0.97 -2.65 -0.31 0.00 0.00 175.10 172.70 1p93 n PRO 676 N -0.09 0.00 0.00 4.82 -0.02 -1.26 0.65 135.00 139.09 1p93 n PRO 676 Ca -0.07 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 1p93 n PRO 676 Cb 0.63 -1.47 0.00 0.00 -0.02 0.00 0.00 33.50 32.64 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 -2.49 0.00 -0.25 -0.52 3.00 -1.26 -2.34 118.16 114.30 1p93 n LYS 677 Ca 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 58.31 58.37 1p93 n LYS 677 Cb 0.00 0.00 0.17 0.00 0.00 0.00 0.00 35.03 35.20 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 3.13 -1.22 3.14 8.00 -1.26 -5.04 116.55 123.29 1p93 n ASP 678 Ca 0.00 -2.49 0.16 0.00 0.71 0.00 0.00 54.79 53.17 1p93 n ASP 678 Cb 0.00 -0.34 -0.06 0.00 -0.02 0.00 0.00 41.12 40.70 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 -0.18 -2.69 3.88 0.44 0.00 -1.26 -4.91 105.19 100.47 1p93 n GLY 679 Ca 0.14 -1.15 -0.29 0.00 0.00 0.00 0.00 46.02 44.72 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 -6.87 4.18 0.64 0.99 1.43 -1.26 -4.72 118.68 113.06 1p93 s LEU 680 Ca 0.00 0.14 0.17 0.00 -1.03 0.00 0.00 54.13 53.41 1p93 s LEU 680 Cb 0.00 -2.79 0.94 0.00 0.03 0.00 0.00 46.19 44.37 1p93 s LEU 680 CO 0.00 0.12 1.52 0.11 0.23 0.00 0.00 176.35 178.33 1p93 h LYS 681 N 2.76 0.00 -0.67 1.70 6.56 -1.94 1.14 116.57 126.13 1p93 h LYS 681 Ca -0.47 0.00 -0.46 0.00 -1.06 0.00 0.00 60.65 58.66 1p93 h LYS 681 Cb 1.18 0.00 -0.42 0.00 -0.57 0.00 0.00 32.23 32.41 1p93 h LYS 681 CO 0.70 0.00 -0.90 0.43 -2.06 0.00 0.00 179.45 177.62 1p93 n SER 682 N -2.68 4.00 -0.32 0.86 7.64 -1.26 -4.89 113.62 116.97 1p93 n SER 682 Ca -0.01 -3.27 0.16 0.00 1.01 0.00 0.00 58.87 56.76 1p93 n SER 682 Cb 0.62 -0.38 0.36 0.00 -1.01 0.00 0.00 64.21 63.80 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 2.30 0.38 0.33 1.43 5.75 0.99 -0.91 115.11 125.38 1p93 h GLN 683 Ca 0.23 -0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.70 1p93 h GLN 683 Cb 1.46 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 29.91 1p93 h GLN 683 CO 0.60 0.25 -0.34 1.05 -2.65 0.00 0.00 178.83 177.74 1p93 h GLU 684 N 0.40 -0.65 -0.61 1.69 -0.00 -1.90 -2.29 114.58 111.22 1p93 h GLU 684 Ca 0.62 0.04 0.11 0.00 -0.00 0.00 0.00 59.36 60.13 1p93 h GLU 684 Cb 1.24 0.15 -0.12 0.00 -0.00 0.00 0.00 28.75 30.02 1p93 h GLU 684 CO -0.55 -0.43 -0.33 1.25 -0.00 0.00 0.00 179.01 178.95 1p93 h LEU 685 N -0.67 -1.15 -0.80 3.06 6.46 -1.73 -0.47 115.31 120.01 1p93 h LEU 685 Ca -0.04 0.23 0.07 0.00 -0.12 0.00 0.00 57.88 58.02 1p93 h LEU 685 Cb 0.58 0.58 -0.10 0.00 -0.73 0.00 0.00 40.66 40.99 1p93 h LEU 685 CO -0.05 -0.30 -0.47 0.33 -0.62 0.00 0.00 178.44 177.33 1p93 n PHE 686 N -5.44 -0.35 0.32 1.25 7.35 -0.44 0.22 117.46 120.37 1p93 n PHE 686 Ca 0.05 1.00 -0.17 0.00 -0.76 0.00 0.00 57.45 57.57 1p93 n PHE 686 Cb 0.36 -0.56 -0.09 0.00 0.35 0.00 0.00 39.48 39.54 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 -0.89 -0.77 -2.13 5.19 -0.75 0.13 116.42 117.20 1p93 h ASP 687 Ca 0.13 0.05 0.10 0.00 -0.62 0.00 0.00 57.03 56.69 1p93 h ASP 687 Cb 0.33 0.26 -0.11 0.00 0.18 0.00 0.00 39.33 39.99 1p93 h ASP 687 CO -0.76 -0.55 -0.37 1.21 -3.12 0.00 0.00 179.24 175.66 1p93 n GLU 688 N -5.49 -0.25 0.33 3.56 0.00 -0.15 0.78 120.64 119.42 1p93 n GLU 688 Ca -0.12 1.18 -0.17 0.00 0.00 0.00 0.00 57.16 58.05 1p93 n GLU 688 Cb 0.38 -1.74 -0.09 0.00 0.00 0.00 0.00 31.44 29.99 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 0.38 -0.88 6.31 2.04 0.07 -2.50 117.51 122.93 1p93 h ILE 689 Ca 0.20 -0.12 0.23 0.00 1.00 0.00 0.00 64.86 66.18 1p93 h ILE 689 Cb 0.40 0.43 -0.14 0.00 -0.74 0.00 0.00 36.82 36.77 1p93 h ILE 689 CO -0.75 0.02 0.29 -0.09 0.00 0.00 0.00 178.15 177.61 1p93 h ARG 690 N -0.89 0.25 0.08 2.37 2.43 0.13 -2.15 114.38 116.60 1p93 h ARG 690 Ca -0.08 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 1p93 h ARG 690 Cb 0.65 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.12 1p93 h ARG 690 CO 0.14 0.16 -0.26 1.98 -1.51 0.00 0.00 179.97 180.48 1p93 h MET 691 N 0.26 -0.37 -0.66 0.20 4.05 0.70 -0.81 114.93 118.29 1p93 h MET 691 Ca 0.56 0.03 0.19 0.00 -0.28 0.00 0.00 59.70 60.20 1p93 h MET 691 Cb 1.12 0.09 -0.03 0.00 -0.80 0.00 0.00 31.60 31.98 1p93 h MET 691 CO -0.62 -0.25 0.53 1.79 0.23 0.00 0.00 176.91 178.59 1p93 h THR 692 N -0.39 0.53 0.00 -0.77 1.35 -0.98 0.21 112.91 112.86 1p93 h THR 692 Ca -0.01 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.84 1p93 h THR 692 Cb 0.38 0.62 -0.00 0.00 -1.73 0.00 0.00 68.15 67.42 1p93 h THR 692 CO -0.13 0.00 -0.20 1.88 -0.25 0.00 0.00 175.52 176.82 1p93 h TYR 693 N 0.00 0.00 0.00 4.73 0.05 -0.83 0.86 116.97 121.78 1p93 h TYR 693 Ca 0.31 0.00 -0.15 0.00 0.05 0.00 0.00 58.73 58.94 1p93 h TYR 693 Cb 1.37 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 39.09 1p93 h TYR 693 CO 0.00 0.04 -0.78 0.82 -1.05 0.00 0.00 178.16 177.20 1p93 h ILE 694 N 0.00 1.10 0.01 -2.88 2.04 0.77 -2.67 117.51 115.88 1p93 h ILE 694 Ca -0.00 -2.60 -0.00 0.00 1.00 0.00 0.00 64.86 63.26 1p93 h ILE 694 Cb 1.03 2.53 0.00 0.00 -0.74 0.00 0.00 36.82 39.64 1p93 h ILE 694 CO 0.01 0.63 -0.01 0.11 0.00 0.00 0.00 178.15 178.89 1p93 h LYS 695 N 0.00 -0.02 -0.75 2.37 1.79 -0.90 -3.12 116.57 115.94 1p93 h LYS 695 Ca -0.03 0.00 0.22 0.00 -2.18 0.00 0.00 60.65 58.66 1p93 h LYS 695 Cb 1.54 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 32.17 1p93 h LYS 695 CO 0.08 0.64 0.60 1.49 -1.08 0.00 0.00 179.45 181.18 1p93 h GLU 696 N -0.98 0.00 -0.15 3.15 4.57 0.70 0.75 114.58 122.62 1p93 h GLU 696 Ca -0.00 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.13 1p93 h GLU 696 Cb 0.66 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.25 1p93 h GLU 696 CO 0.00 0.00 -0.10 1.25 -1.18 0.00 0.00 179.01 178.98 1p93 h LEU 697 N 0.00 0.35 -0.95 1.64 5.85 -1.52 -3.13 115.31 117.55 1p93 h LEU 697 Ca 0.36 -0.44 0.20 0.00 0.84 0.00 0.00 57.88 58.83 1p93 h LEU 697 Cb 1.55 -0.10 -0.11 0.00 0.37 0.00 0.00 40.66 42.37 1p93 h LEU 697 CO -0.00 0.71 0.53 1.23 -0.34 0.00 0.00 178.44 180.57 1p93 h GLY 698 N -0.02 1.68 1.41 3.75 0.00 0.57 0.18 103.07 110.64 1p93 h GLY 698 Ca 0.03 -0.29 -0.09 0.00 0.00 0.00 0.00 47.33 46.98 1p93 h GLY 698 CO 0.03 -0.13 -0.11 0.50 0.00 0.00 0.00 176.54 176.83 1p93 h LYS 699 N 0.63 0.70 -0.18 4.80 1.57 -1.48 -2.00 116.57 120.60 1p93 h LYS 699 Ca 0.56 -0.22 -0.03 0.00 -1.87 0.00 0.00 60.65 59.09 1p93 h LYS 699 Cb 0.94 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.17 1p93 h LYS 699 CO -0.42 0.79 -0.04 0.00 -0.57 0.00 0.00 179.45 179.20 1p93 h ALA 700 N 1.24 1.59 0.00 3.86 0.00 -0.92 -2.02 119.26 123.01 1p93 h ALA 700 Ca 0.11 -0.15 -0.23 0.00 0.00 0.00 0.00 54.91 54.64 1p93 h ALA 700 Cb 0.56 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 1p93 h ALA 700 CO 0.03 0.30 -1.19 0.82 0.00 0.00 0.00 179.25 179.21 1p93 h ILE 701 N 0.27 1.38 -0.77 0.00 2.04 -1.11 -3.24 117.51 116.08 1p93 h ILE 701 Ca 0.06 -3.10 -0.02 0.00 1.00 0.00 0.00 64.86 62.80 1p93 h ILE 701 Cb 0.25 2.67 -0.04 0.00 -0.74 0.00 0.00 36.82 38.97 1p93 h ILE 701 CO 0.01 0.78 0.41 0.58 0.00 0.00 0.00 178.15 179.93 1p93 h VAL 702 N 0.00 1.23 -0.46 1.67 2.07 -0.88 -3.31 116.25 116.57 1p93 h VAL 702 Ca -0.09 -0.60 -0.23 0.00 0.82 0.00 0.00 66.70 66.59 1p93 h VAL 702 Cb 1.81 0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 31.78 1p93 h VAL 702 CO 0.11 0.27 0.69 -0.54 0.02 0.00 0.00 177.57 178.11 1p93 s LYS 703 N -5.81 2.18 0.00 1.57 1.02 -0.80 -4.80 119.74 113.10 1p93 s LYS 703 Ca -0.13 -0.63 0.00 0.00 0.02 0.00 0.00 55.97 55.23 1p93 s LYS 703 Cb 0.15 -5.10 0.00 0.00 -0.52 0.00 0.00 37.83 32.36 1p93 s LYS 703 CO 0.81 -4.15 0.00 2.89 -0.92 0.00 0.00 175.35 173.98 1p93 n ARG 704 N 8.47 0.00 0.00 1.68 1.85 -1.25 -4.97 116.66 122.45 1p93 n ARG 704 Ca 0.43 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.28 1p93 n ARG 704 Cb 0.46 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.87 1p93 n ARG 704 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 1p93 n SER 708 N 0.00 0.00 0.00 2.89 7.64 -1.26 -5.03 113.62 117.86 1p93 n SER 708 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1p93 n SER 708 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1p93 n SER 708 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1p93 n SER 709 N 0.00 0.00 -1.51 6.43 2.88 -1.26 -4.58 113.62 115.58 1p93 n SER 709 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1p93 n SER 709 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 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 1.90 0.60 0.33 -1.46 -0.00 -1.26 -4.59 117.38 112.90 1p93 n GLN 710 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 57.00 57.02 1p93 n GLN 710 Cb 0.00 -1.20 0.11 0.00 -0.00 0.00 0.00 30.24 29.15 1p93 n GLN 710 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.06 176.15 1p93 h ASN 711 N 1.83 0.00 0.61 2.61 4.21 -1.95 0.16 115.58 123.04 1p93 h ASN 711 Ca 0.00 0.00 -0.07 0.00 1.21 0.00 0.00 56.30 57.44 1p93 h ASN 711 Cb 0.60 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.79 1p93 h ASN 711 CO 0.00 0.00 -0.32 -0.50 -1.29 0.00 0.00 177.43 175.32 1p93 h TRP 712 N 0.00 0.00 0.04 1.19 -0.00 -2.00 -1.95 115.95 113.24 1p93 h TRP 712 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 58.89 58.65 1p93 h TRP 712 Cb 1.81 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.97 1p93 h TRP 712 CO 0.00 0.32 -1.04 0.37 -0.00 0.00 0.00 178.44 178.09 1p93 h GLN 713 N 0.00 0.36 -0.16 0.49 4.15 -1.07 -2.47 115.11 116.40 1p93 h GLN 713 Ca -0.00 -0.44 -0.01 0.00 0.77 0.00 0.00 58.65 58.96 1p93 h GLN 713 Cb 0.71 0.14 -0.01 0.00 0.21 0.00 0.00 27.48 28.53 1p93 h GLN 713 CO 0.04 1.14 0.07 -0.09 -1.93 0.00 0.00 178.83 178.05 1p93 h ARG 714 N 0.17 0.24 -0.98 1.69 9.65 -1.62 -0.89 114.38 122.65 1p93 h ARG 714 Ca -0.10 -0.04 0.18 0.00 -1.10 0.00 0.00 59.98 58.92 1p93 h ARG 714 Cb 1.70 -0.04 -0.09 0.00 -1.39 0.00 0.00 29.97 30.15 1p93 h ARG 714 CO 0.18 0.32 0.61 0.35 2.80 0.00 0.00 179.97 184.23 1p93 h PHE 715 N 0.11 0.97 0.58 2.20 3.57 -1.31 -2.13 116.94 120.94 1p93 h PHE 715 Ca 0.05 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.56 1p93 h PHE 715 Cb 0.16 -0.30 0.01 0.00 2.79 0.00 0.00 35.95 38.61 1p93 h PHE 715 CO -0.02 0.25 -0.28 -0.92 -2.23 0.00 0.00 178.31 175.12 1p93 h TYR 716 N 0.73 -0.72 -0.79 0.41 5.03 -0.72 -2.69 116.97 118.22 1p93 h TYR 716 Ca 0.54 -0.02 0.13 0.00 2.58 0.00 0.00 58.73 61.96 1p93 h TYR 716 Cb 0.89 0.24 -0.09 0.00 1.55 0.00 0.00 36.73 39.32 1p93 h TYR 716 CO -0.00 -0.39 0.39 1.96 -1.32 0.00 0.00 178.16 178.79 1p93 h GLN 717 N -1.00 0.57 -0.27 1.82 4.20 -0.83 -2.00 115.11 117.59 1p93 h GLN 717 Ca -0.08 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.56 1p93 h GLN 717 Cb 0.66 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.30 1p93 h GLN 717 CO 0.13 0.38 0.02 -0.07 -0.67 0.00 0.00 178.83 178.62 1p93 h LEU 718 N 0.59 0.45 0.12 1.46 3.38 -1.46 -3.29 115.31 116.55 1p93 h LEU 718 Ca 0.42 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 1p93 h LEU 718 Cb 0.56 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1p93 h LEU 718 CO -0.34 0.63 -0.06 0.74 0.09 0.00 0.00 178.44 179.50 1p93 h THR 719 N 0.26 0.91 0.00 0.22 2.02 -1.09 -2.66 112.91 112.57 1p93 h THR 719 Ca 0.08 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 67.14 1p93 h THR 719 Cb 0.38 0.99 0.00 0.00 -1.74 0.00 0.00 68.15 67.79 1p93 h THR 719 CO 0.01 0.03 0.03 1.17 0.37 0.00 0.00 175.52 177.13 1p93 n LYS 720 N -5.13 0.06 0.01 6.66 3.00 -0.80 -1.19 118.16 120.76 1p93 n LYS 720 Ca -0.08 0.55 -0.19 0.00 -0.00 0.00 0.00 58.31 58.58 1p93 n LYS 720 Cb 0.11 -1.73 -0.14 0.00 0.00 0.00 0.00 35.03 33.27 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 0.33 -2.05 3.14 5.85 -1.54 -3.10 115.31 117.93 1p93 h LEU 721 Ca 0.00 -0.92 0.10 0.00 0.84 0.00 0.00 57.88 57.90 1p93 h LEU 721 Cb 0.05 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 1p93 h LEU 721 CO 0.00 1.36 0.27 -0.07 -0.34 0.00 0.00 178.44 179.66 1p93 h LEU 722 N -0.52 0.00 -0.20 2.25 3.38 -1.08 0.46 115.31 119.60 1p93 h LEU 722 Ca -0.16 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.60 1p93 h LEU 722 Cb 1.52 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.26 1p93 h LEU 722 CO 0.08 0.00 -0.94 0.44 0.09 0.00 0.00 178.44 178.11 1p93 h ASP 723 N 0.00 0.28 -0.42 -0.43 5.19 -1.63 -3.10 116.42 116.31 1p93 h ASP 723 Ca 0.16 -0.24 0.12 0.00 -0.62 0.00 0.00 57.03 56.45 1p93 h ASP 723 Cb 0.69 -0.09 -0.02 0.00 0.18 0.00 0.00 39.33 40.09 1p93 h ASP 723 CO -0.00 1.07 0.31 -1.28 -3.12 0.00 0.00 179.24 176.22 1p93 h SER 724 N 0.11 0.00 0.03 6.45 0.87 0.00 -2.88 113.55 118.13 1p93 h SER 724 Ca -0.06 0.00 0.02 0.00 -1.23 0.00 0.00 61.79 60.53 1p93 h SER 724 Cb 1.59 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.52 1p93 h SER 724 CO 0.15 0.00 -0.20 0.24 -0.53 0.00 0.00 176.83 176.49 1p93 h MET 725 N 0.00 -0.32 -0.92 2.24 2.86 -1.40 0.47 114.93 117.86 1p93 h MET 725 Ca 0.20 0.02 0.27 0.00 -2.06 0.00 0.00 59.70 58.13 1p93 h MET 725 Cb 0.81 0.07 -0.04 0.00 0.06 0.00 0.00 31.60 32.51 1p93 h MET 725 CO -0.00 -0.22 0.72 0.45 1.06 0.00 0.00 176.91 178.92 1p93 h HIS 726 N -0.34 0.00 0.19 -0.22 3.86 -1.69 1.06 115.15 118.01 1p93 h HIS 726 Ca 0.05 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.25 1p93 h HIS 726 Cb 0.40 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.87 1p93 h HIS 726 CO -0.23 0.00 -0.09 0.93 0.86 0.00 0.00 177.93 179.40 1p93 h GLU 727 N 0.00 -0.25 -0.64 2.45 5.08 -1.23 -2.28 114.58 117.71 1p93 h GLU 727 Ca 0.44 0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.88 1p93 h GLU 727 Cb 1.88 0.06 -0.10 0.00 0.50 0.00 0.00 28.75 31.08 1p93 h GLU 727 CO -0.00 -0.16 -0.57 0.28 -1.00 0.00 0.00 179.01 177.55 1p93 h VAL 728 N -0.80 0.00 -0.78 3.13 2.07 0.15 0.78 116.25 120.80 1p93 h VAL 728 Ca -0.03 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.63 1p93 h VAL 728 Cb 0.20 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 29.88 1p93 h VAL 728 CO 0.04 0.00 0.36 0.58 0.02 0.00 0.00 177.57 178.57 1p93 h VAL 729 N -0.25 0.72 -0.70 2.57 2.07 0.83 -2.47 116.25 119.02 1p93 h VAL 729 Ca 0.11 -0.18 0.14 0.00 0.82 0.00 0.00 66.70 67.58 1p93 h VAL 729 Cb 0.53 0.14 -0.13 0.00 -1.52 0.00 0.00 31.29 30.30 1p93 h VAL 729 CO -0.73 0.10 -0.21 -0.08 0.02 0.00 0.00 177.57 176.66 1p93 h GLU 730 N 0.54 -0.03 -0.09 1.57 4.81 -0.23 -1.90 114.58 119.25 1p93 h GLU 730 Ca 0.42 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.62 1p93 h GLU 730 Cb 0.58 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.97 1p93 h GLU 730 CO -0.36 -0.02 -0.07 -0.91 -0.73 0.00 0.00 179.01 176.92 1p93 h ASN 731 N -0.03 0.22 -0.20 1.04 4.21 -1.25 -2.81 115.58 116.77 1p93 h ASN 731 Ca 0.33 -0.45 0.06 0.00 1.21 0.00 0.00 56.30 57.44 1p93 h ASN 731 Cb 0.54 -0.06 -0.01 0.00 -1.12 0.00 0.00 38.32 37.67 1p93 h ASN 731 CO -0.74 0.63 0.41 -0.07 -1.29 0.00 0.00 177.43 176.37 1p93 h LEU 732 N -0.18 0.00 0.06 1.61 3.38 -1.17 -1.27 115.31 117.74 1p93 h LEU 732 Ca 0.02 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.67 1p93 h LEU 732 Cb 0.55 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 1p93 h LEU 732 CO 0.02 0.00 -1.73 0.18 0.09 0.00 0.00 178.44 176.99 1p93 n LEU 733 N -3.26 2.30 0.15 1.67 4.77 -0.84 -0.06 117.00 121.73 1p93 n LEU 733 Ca 0.03 0.29 0.10 0.00 -0.03 0.00 0.00 56.01 56.40 1p93 n LEU 733 Cb 0.52 -1.04 0.55 0.00 -2.33 0.00 0.00 43.42 41.12 1p93 n LEU 733 CO 0.20 0.61 0.81 0.59 -1.33 0.00 0.00 177.39 178.26 1p93 n ASN 734 N -3.90 0.53 -0.12 -1.43 3.02 -0.81 0.16 115.26 112.71 1p93 n ASN 734 Ca -0.33 0.75 -0.19 0.00 -0.03 0.00 0.00 54.58 54.77 1p93 n ASN 734 Cb 0.89 -0.81 -0.11 0.00 -0.61 0.00 0.00 39.78 39.14 1p93 n ASN 734 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1p93 n TYR 735 N -2.21 0.00 0.09 3.10 4.19 -0.55 -3.72 117.16 118.06 1p93 n TYR 735 Ca -0.01 0.00 -0.04 0.00 3.31 0.00 0.00 57.90 61.16 1p93 n TYR 735 Cb 0.04 -0.92 0.15 0.00 0.49 0.00 0.00 39.34 39.10 1p93 n TYR 735 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1p93 h PHE 737 N 0.19 0.51 -0.11 0.00 3.57 0.13 -2.85 116.94 118.38 1p93 h PHE 737 Ca 0.00 -0.15 0.04 0.00 3.53 0.00 0.00 57.97 61.39 1p93 h PHE 737 Cb 1.01 -0.11 -0.05 0.00 2.79 0.00 0.00 35.95 39.59 1p93 h PHE 737 CO 0.02 0.80 -0.23 1.96 -2.23 0.00 0.00 178.31 178.63 1p93 h GLN 738 N 0.08 -0.29 0.00 1.11 4.20 -1.61 -0.36 115.11 118.23 1p93 h GLN 738 Ca 0.03 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.76 1p93 h GLN 738 Cb 0.71 0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.56 1p93 h GLN 738 CO 0.04 -0.19 0.00 0.25 -0.67 0.00 0.00 178.83 178.26 1p93 n THR 739 N -5.36 1.36 0.03 -0.54 -2.24 -1.06 -1.62 114.28 104.84 1p93 n THR 739 Ca -0.03 0.34 0.00 0.00 -2.27 0.00 0.00 64.05 62.09 1p93 n THR 739 Cb 0.27 -1.18 -0.09 0.00 -2.10 0.00 0.00 70.33 67.24 1p93 n THR 739 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1p93 n PHE 740 N -1.50 0.93 0.00 4.78 7.35 -0.21 -4.71 117.46 124.10 1p93 n PHE 740 Ca 0.02 0.31 0.00 0.00 -0.76 0.00 0.00 57.45 57.02 1p93 n PHE 740 Cb 0.11 -1.07 0.00 0.00 0.35 0.00 0.00 39.48 38.87 1p93 n PHE 740 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 1p93 n LEU 741 N -2.86 0.95 -4.60 -2.13 4.77 -0.64 -4.92 117.00 107.57 1p93 n LEU 741 Ca -0.10 0.00 -0.54 0.00 -0.03 0.00 0.00 56.01 55.34 1p93 n LEU 741 Cb 0.84 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.86 1p93 n LEU 741 CO 0.43 0.00 0.92 -0.67 -1.33 0.00 0.00 177.39 176.74 1p93 n ASP 742 N -0.79 1.51 -0.00 -1.43 2.03 -1.13 -4.83 116.55 111.91 1p93 n ASP 742 Ca 0.00 1.12 0.11 0.00 0.52 0.00 0.00 54.79 56.54 1p93 n ASP 742 Cb 0.00 -1.14 0.11 0.00 -0.72 0.00 0.00 41.12 39.37 1p93 n ASP 742 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1p93 n LYS 743 N 2.80 0.01 0.00 -0.67 4.81 -1.26 -3.61 118.16 120.24 1p93 n LYS 743 Ca 0.20 -0.01 0.02 0.00 -0.87 0.00 0.00 58.31 57.65 1p93 n LYS 743 Cb 0.16 -1.50 0.12 0.00 0.02 0.00 0.00 35.03 33.83 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 -1.49 0.00 0.06 3.15 -1.04 -1.26 -1.76 114.28 111.94 1p93 n THR 744 Ca 0.05 0.00 -0.22 0.00 -2.04 0.00 0.00 64.05 61.84 1p93 n THR 744 Cb 0.33 -0.88 -0.15 0.00 -1.82 0.00 0.00 70.33 67.82 1p93 n THR 744 CO 0.00 0.00 0.00 0.24 -0.64 0.00 0.00 175.07 174.67 1p93 h MET 745 N 0.00 0.35 0.00 -2.82 2.86 -1.94 -3.48 114.93 109.90 1p93 h MET 745 Ca 0.00 -0.61 0.00 0.00 -2.06 0.00 0.00 59.70 57.03 1p93 h MET 745 Cb 0.00 0.23 0.00 0.00 0.06 0.00 0.00 31.60 31.89 1p93 h MET 745 CO 0.00 1.29 0.00 0.43 1.06 0.00 0.00 176.91 179.69 1p93 n SER 746 N -3.79 0.00 -4.74 1.22 7.64 -0.72 -4.79 113.62 108.44 1p93 n SER 746 Ca -0.23 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.26 1p93 n SER 746 Cb 0.99 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 64.14 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 -3.64 4.83 0.23 0.44 1.01 -1.26 -4.89 121.20 117.91 1p93 s ILE 747 Ca 0.00 1.59 0.08 0.00 0.00 0.00 0.00 60.65 62.33 1p93 s ILE 747 Cb 0.00 -4.10 -0.04 0.00 0.01 0.00 0.00 42.46 38.33 1p93 s ILE 747 CO 0.00 0.33 0.01 -0.70 0.00 0.00 0.00 174.94 174.58 1p93 s GLU 748 N 0.21 2.39 0.08 2.79 2.56 -1.26 -4.90 118.70 120.56 1p93 s GLU 748 Ca 0.39 -1.26 0.07 0.00 0.00 0.00 0.00 54.97 54.17 1p93 s GLU 748 Cb -0.20 -2.27 -0.03 0.00 2.00 0.00 0.00 34.13 33.63 1p93 s GLU 748 CO 0.22 0.40 -0.19 -0.06 -0.56 0.00 0.00 175.26 175.07 1p93 s PHE 749 N -2.06 1.65 0.60 5.30 0.40 -1.26 -4.41 117.98 118.21 1p93 s PHE 749 Ca 0.30 -0.41 -0.16 0.00 -0.60 0.00 0.00 56.93 56.06 1p93 s PHE 749 Cb -0.08 -0.93 -0.03 0.00 0.51 0.00 0.00 43.02 42.49 1p93 s PHE 749 CO 0.20 0.14 1.07 -1.25 0.70 0.00 0.00 175.22 176.07 1p93 s PRO 750 N -1.61 3.24 0.32 0.24 0.04 -1.26 -4.88 135.00 131.09 1p93 s PRO 750 Ca 0.05 1.26 0.06 0.00 0.04 0.00 0.00 61.00 62.41 1p93 s PRO 750 Cb -0.09 -2.02 0.72 0.00 0.04 0.00 0.00 34.50 33.15 1p93 s PRO 750 CO 0.03 -0.88 1.84 0.93 0.04 0.00 0.00 177.00 178.96 1p93 h GLU 751 N 0.42 0.78 -0.23 4.56 5.08 -1.99 -2.18 114.58 121.02 1p93 h GLU 751 Ca -0.47 -0.05 0.06 0.00 -1.00 0.00 0.00 59.36 57.90 1p93 h GLU 751 Cb 1.23 -0.18 -0.07 0.00 0.50 0.00 0.00 28.75 30.23 1p93 h GLU 751 CO 0.57 0.51 -0.35 1.98 -1.00 0.00 0.00 179.01 180.73 1p93 h MET 752 N 0.80 -0.35 0.00 2.33 4.05 -1.91 0.14 114.93 119.99 1p93 h MET 752 Ca 0.49 0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.94 1p93 h MET 752 Cb 0.70 0.08 0.00 0.00 -0.80 0.00 0.00 31.60 31.58 1p93 h MET 752 CO -0.26 -0.24 0.00 1.28 0.23 0.00 0.00 176.91 177.93 1p93 n LEU 753 N -5.42 0.00 0.05 3.39 4.77 -0.86 -3.40 117.00 115.54 1p93 n LEU 753 Ca -0.02 0.50 -0.06 0.00 -0.03 0.00 0.00 56.01 56.40 1p93 n LEU 753 Cb 0.34 -0.50 -0.04 0.00 -2.33 0.00 0.00 43.42 40.89 1p93 n LEU 753 CO 0.12 -0.22 0.17 0.00 -1.33 0.00 0.00 177.39 176.12 1p93 h ALA 754 N 2.56 -0.24 -0.87 -1.18 0.00 -0.56 -2.17 119.26 116.81 1p93 h ALA 754 Ca 0.00 -0.11 0.22 0.00 0.00 0.00 0.00 54.91 55.01 1p93 h ALA 754 Cb 0.28 0.09 -0.13 0.00 0.00 0.00 0.00 17.79 18.04 1p93 h ALA 754 CO 0.00 -0.24 0.33 1.49 0.00 0.00 0.00 179.25 180.84 1p93 h GLU 755 N -1.03 0.33 0.00 0.00 4.57 -1.49 -0.95 114.58 116.01 1p93 h GLU 755 Ca -0.02 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 1p93 h GLU 755 Cb 0.30 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.82 1p93 h GLU 755 CO 0.04 0.22 0.00 -0.89 -1.18 0.00 0.00 179.01 177.20 1p93 n ILE 756 N -5.10 0.00 -0.21 2.32 5.41 -1.23 -0.32 119.36 120.24 1p93 n ILE 756 Ca 0.21 0.60 0.13 0.00 1.00 0.00 0.00 62.75 64.69 1p93 n ILE 756 Cb 0.64 -1.31 0.24 0.00 -0.71 0.00 0.00 39.64 38.50 1p93 n ILE 756 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 1p93 n ILE 757 N -0.34 -0.26 0.04 1.39 5.41 -0.81 0.50 119.36 125.29 1p93 n ILE 757 Ca 0.00 1.31 -0.01 0.00 1.00 0.00 0.00 62.75 65.04 1p93 n ILE 757 Cb 0.00 -1.98 -0.01 0.00 -0.71 0.00 0.00 39.64 36.94 1p93 n ILE 757 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 176.55 177.29 1p93 h THR 758 N 0.00 0.00 -0.64 1.39 2.02 -1.25 -2.94 112.91 111.49 1p93 h THR 758 Ca 0.42 -0.02 0.09 0.00 0.77 0.00 0.00 66.41 67.68 1p93 h THR 758 Cb 0.98 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 67.28 1p93 h THR 758 CO -0.54 0.00 -0.45 -1.13 0.37 0.00 0.00 175.52 173.77 1p93 h ASN 759 N -0.11 -1.57 0.00 4.18 -0.73 0.26 -3.30 115.58 114.31 1p93 h ASN 759 Ca -0.01 0.26 0.00 0.00 1.87 0.00 0.00 56.30 58.42 1p93 h ASN 759 Cb 0.07 0.72 0.00 0.00 0.27 0.00 0.00 38.32 39.38 1p93 h ASN 759 CO 0.02 -0.33 0.00 0.00 -0.37 0.00 0.00 177.43 176.75 1p93 n GLN 760 N -5.40 0.00 -0.03 6.67 1.13 0.18 -3.92 117.38 116.02 1p93 n GLN 760 Ca 0.02 0.00 0.02 0.00 -1.94 0.00 0.00 57.00 55.10 1p93 n GLN 760 Cb 0.34 0.00 0.04 0.00 0.11 0.00 0.00 30.24 30.74 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 0.00 -0.04 0.00 5.09 5.41 -1.11 -1.67 119.36 127.04 1p93 n ILE 761 Ca 0.00 0.21 0.00 0.00 1.00 0.00 0.00 62.75 63.96 1p93 n ILE 761 Cb 0.00 -0.33 0.00 0.00 -0.71 0.00 0.00 39.64 38.60 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 -3.54 0.00 0.04 0.38 -0.02 -1.24 -2.13 135.00 128.48 1p93 n PRO 762 Ca 0.03 0.45 -0.10 0.00 -2.02 0.00 0.00 63.50 61.86 1p93 n PRO 762 Cb 0.10 -1.39 -0.06 0.00 -0.02 0.00 0.00 33.50 32.13 1p93 n PRO 762 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 1p93 h LYS 763 N 0.00 -0.42 0.00 -0.52 2.10 -1.44 -2.05 116.57 114.25 1p93 h LYS 763 Ca 0.00 0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.68 1p93 h LYS 763 Cb 0.00 0.09 0.00 0.00 -0.90 0.00 0.00 32.23 31.42 1p93 h LYS 763 CO 0.00 -0.28 0.72 0.10 -2.00 0.00 0.00 179.45 177.99 1p93 h TYR 764 N -0.43 0.00 0.00 0.07 -0.00 -1.54 0.44 116.97 115.51 1p93 h TYR 764 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 1p93 h TYR 764 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.19 1p93 h TYR 764 CO -0.45 0.00 0.00 0.43 -0.00 0.00 0.00 178.16 178.14 1p93 n SER 765 N -1.99 0.09 -0.58 0.10 7.64 -0.77 -1.97 113.62 116.14 1p93 n SER 765 Ca -0.00 0.52 0.02 0.00 1.01 0.00 0.00 58.87 60.42 1p93 n SER 765 Cb 0.72 -0.54 0.08 0.00 -1.01 0.00 0.00 64.21 63.46 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 -1.60 1.52 -2.28 6.43 4.13 0.16 -4.88 115.26 118.74 1p93 n ASN 766 Ca 0.04 -2.11 -0.12 0.00 1.68 0.00 0.00 54.58 54.07 1p93 n ASN 766 Cb 0.20 -0.34 -0.01 0.00 -1.54 0.00 0.00 39.78 38.09 1p93 n ASN 766 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1p93 n GLY 767 N 0.43 -0.26 0.00 7.41 0.00 -0.83 -4.84 105.19 107.10 1p93 n GLY 767 Ca 0.06 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.23 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 -1.58 0.00 -4.94 1.61 6.94 -1.26 -4.84 115.26 111.18 1p93 n ASN 768 Ca -0.14 -0.75 -0.24 0.00 -0.02 0.00 0.00 54.58 53.43 1p93 n ASN 768 Cb 0.58 -0.08 -0.02 0.00 -2.36 0.00 0.00 39.78 37.90 1p93 n ASN 768 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 1p93 s ILE 769 N -2.15 5.19 -0.46 1.53 1.09 -1.20 -4.18 121.20 121.02 1p93 s ILE 769 Ca 0.42 -0.57 0.03 0.00 -1.10 0.00 0.00 60.65 59.42 1p93 s ILE 769 Cb 0.21 -3.81 0.13 0.00 -1.06 0.00 0.00 42.46 37.93 1p93 s ILE 769 CO 0.38 -0.35 0.25 -0.75 -0.10 0.00 0.00 174.94 174.37 1p93 s LYS 770 N -3.84 1.45 0.00 2.79 2.20 0.21 -4.84 119.74 117.71 1p93 s LYS 770 Ca 0.38 -2.15 -0.34 0.00 -0.36 0.00 0.00 55.97 53.50 1p93 s LYS 770 Cb -0.10 -2.55 -0.12 0.00 -1.51 0.00 0.00 37.83 33.55 1p93 s LYS 770 CO 0.31 -1.15 1.80 1.63 -0.36 0.00 0.00 175.35 177.58 1p93 n LYS 771 N 3.43 2.24 -2.82 4.03 5.02 -1.26 -2.57 118.16 126.22 1p93 n LYS 771 Ca 0.08 0.82 -0.35 0.00 -2.02 0.00 0.00 58.31 56.84 1p93 n LYS 771 Cb 0.34 -2.65 -0.07 0.00 -0.02 0.00 0.00 35.03 32.63 1p93 n LYS 771 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1p93 s LEU 772 N 3.12 4.17 0.12 -0.35 1.43 0.28 -4.97 118.68 122.48 1p93 s LEU 772 Ca 0.88 1.74 0.02 0.00 -1.03 0.00 0.00 54.13 55.75 1p93 s LEU 772 Cb -0.66 -4.21 -0.04 0.00 0.03 0.00 0.00 46.19 41.30 1p93 s LEU 772 CO 0.46 -0.19 -0.07 -0.76 0.23 0.00 0.00 176.35 176.03 1p93 s LEU 773 N -2.54 2.46 0.00 1.79 1.43 -1.26 -4.85 118.68 115.71 1p93 s LEU 773 Ca 0.55 -1.03 0.07 0.00 -1.03 0.00 0.00 54.13 52.69 1p93 s LEU 773 Cb -0.14 -0.14 -0.02 0.00 0.03 0.00 0.00 46.19 45.92 1p93 s LEU 773 CO 0.19 -0.45 0.47 0.49 0.23 0.00 0.00 176.35 177.29 1p93 n PHE 774 N -0.11 0.00 -3.67 0.29 3.72 -1.26 -4.97 117.46 111.46 1p93 n PHE 774 Ca -0.11 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.20 1p93 n PHE 774 Cb 0.61 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 39.06 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 -1.23 -0.79 0.00 1.38 3.76 -1.26 -5.00 115.29 112.15 1p93 s HIS 775 Ca 0.05 1.62 0.00 0.00 -0.15 0.00 0.00 55.06 56.58 1p93 s HIS 775 Cb 0.06 0.41 0.00 0.00 1.11 0.00 0.00 32.58 34.16 1p93 s HIS 775 CO 0.20 -0.42 0.49 1.04 -0.85 0.00 0.00 174.74 175.20