#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 -4.54 2.61 7.99 -1.26 -5.00 117.00 116.80 1p93 n LEU 528 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 56.01 55.57 1p93 n LEU 528 Cb 0.00 0.00 -0.01 0.00 -0.11 0.00 0.00 43.42 43.30 1p93 n LEU 528 CO 0.00 0.00 1.64 0.42 -1.51 0.00 0.00 177.39 177.94 1p93 s THR 529 N -1.39 4.32 -0.18 -5.08 -4.23 -1.26 -4.98 115.64 102.84 1p93 s THR 529 Ca 0.00 -1.76 -0.41 0.00 -1.18 0.00 0.00 61.69 58.34 1p93 s THR 529 Cb 0.00 -5.06 -0.18 0.00 1.34 0.00 0.00 72.50 68.59 1p93 s THR 529 CO 0.00 -1.87 1.43 -0.81 -0.54 0.00 0.00 174.62 172.83 1p93 n PRO 530 N 7.76 0.53 -0.68 3.99 -0.04 -1.26 -5.02 135.00 140.29 1p93 n PRO 530 Ca 0.40 0.19 -0.22 0.00 -0.04 0.00 0.00 63.50 63.83 1p93 n PRO 530 Cb 0.47 -1.77 0.19 0.00 -0.04 0.00 0.00 33.50 32.35 1p93 n PRO 530 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1p93 n THR 531 N 3.14 0.00 0.46 0.52 -1.04 -1.26 -4.93 114.28 111.17 1p93 n THR 531 Ca 0.24 -0.30 0.11 0.00 -2.04 0.00 0.00 64.05 62.06 1p93 n THR 531 Cb 0.08 -1.10 0.04 0.00 -1.82 0.00 0.00 70.33 67.52 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 0.64 -0.01 -4.42 7.94 -1.26 -3.94 117.00 115.95 1p93 n LEU 532 Ca 0.11 0.10 -0.17 0.00 -1.11 0.00 0.00 56.01 54.94 1p93 n LEU 532 Cb 0.44 -0.10 -0.13 0.00 0.53 0.00 0.00 43.42 44.15 1p93 n LEU 532 CO 0.30 -0.02 0.25 0.58 -1.11 0.00 0.00 177.39 177.39 1p93 h VAL 533 N 0.00 1.60 -0.01 1.96 2.07 -1.94 -2.84 116.25 117.09 1p93 h VAL 533 Ca 0.00 -2.30 0.00 0.00 0.82 0.00 0.00 66.70 65.22 1p93 h VAL 533 Cb 0.79 3.10 -0.00 0.00 -1.52 0.00 0.00 31.29 33.67 1p93 h VAL 533 CO 0.00 0.63 0.03 0.77 0.02 0.00 0.00 177.57 179.02 1p93 h SER 534 N -0.56 0.00 0.00 0.57 4.64 -1.95 0.43 113.55 116.68 1p93 h SER 534 Ca -0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 1p93 h SER 534 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1p93 h SER 534 CO 0.08 0.00 0.00 -0.11 -0.87 0.00 0.00 176.83 175.93 1p93 n LEU 535 N -3.38 0.11 -0.39 5.97 7.94 -1.20 -1.95 117.00 124.10 1p93 n LEU 535 Ca -0.03 0.70 0.35 0.00 -1.11 0.00 0.00 56.01 55.92 1p93 n LEU 535 Cb 0.11 -0.46 0.62 0.00 0.53 0.00 0.00 43.42 44.21 1p93 n LEU 535 CO 0.23 -0.46 1.12 0.18 -1.11 0.00 0.00 177.39 177.34 1p93 n LEU 536 N -1.89 0.28 -0.08 -1.96 4.77 -0.87 0.89 117.00 118.14 1p93 n LEU 536 Ca 0.00 1.50 -0.11 0.00 -0.03 0.00 0.00 56.01 57.37 1p93 n LEU 536 Cb 0.00 -0.74 -0.04 0.00 -2.33 0.00 0.00 43.42 40.31 1p93 n LEU 536 CO 0.00 -1.66 0.79 -0.08 -1.33 0.00 0.00 177.39 175.11 1p93 h GLU 537 N 0.00 0.41 0.00 3.23 4.81 -0.94 -1.22 114.58 120.87 1p93 h GLU 537 Ca 0.85 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.96 1p93 h GLU 537 Cb 2.48 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 31.82 1p93 h GLU 537 CO -0.62 0.55 -0.06 1.33 -0.73 0.00 0.00 179.01 179.49 1p93 n VAL 538 N -4.68 0.40 0.64 0.32 0.24 0.26 -2.48 118.33 113.03 1p93 n VAL 538 Ca -0.03 -0.20 0.12 0.00 -2.04 0.00 0.00 64.34 62.18 1p93 n VAL 538 Cb 0.21 -0.51 0.13 0.00 -1.47 0.00 0.00 33.84 32.20 1p93 n VAL 538 CO 0.00 0.00 0.00 2.30 -2.14 0.00 0.00 176.83 176.99 1p93 n ILE 539 N -2.02 0.23 -1.65 1.34 -5.35 0.10 -4.88 119.36 107.14 1p93 n ILE 539 Ca 0.06 -0.22 -0.45 0.00 -0.27 0.00 0.00 62.75 61.87 1p93 n ILE 539 Cb 0.40 0.06 -0.04 0.00 -1.74 0.00 0.00 39.64 38.33 1p93 n ILE 539 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 1p93 n GLU 540 N -1.95 2.36 -2.13 6.28 4.07 -0.47 -4.89 120.64 123.91 1p93 n GLU 540 Ca 0.03 0.83 -0.38 0.00 -0.06 0.00 0.00 57.16 57.59 1p93 n GLU 540 Cb 0.42 -2.87 0.00 0.00 -0.06 0.00 0.00 31.44 28.93 1p93 n GLU 540 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 1p93 s PRO 541 N 4.72 3.63 0.62 5.31 0.04 -1.26 -5.01 135.00 143.05 1p93 s PRO 541 Ca 0.94 1.92 -0.14 0.00 0.04 0.00 0.00 61.00 63.75 1p93 s PRO 541 Cb -0.54 -2.41 -0.02 0.00 0.04 0.00 0.00 34.50 31.56 1p93 s PRO 541 CO 0.45 -0.70 1.06 -1.21 0.04 0.00 0.00 177.00 176.64 1p93 s GLU 542 N -2.70 3.21 0.40 4.56 2.02 -1.26 -5.02 118.70 119.91 1p93 s GLU 542 Ca 0.65 1.14 -0.23 0.00 0.02 0.00 0.00 54.97 56.54 1p93 s GLU 542 Cb -0.32 -2.02 -0.10 0.00 0.10 0.00 0.00 34.13 31.79 1p93 s GLU 542 CO 0.39 -0.90 1.00 0.14 0.02 0.00 0.00 175.26 175.92 1p93 s VAL 543 N -2.61 3.99 0.27 2.63 -7.23 -1.26 -5.06 120.40 111.12 1p93 s VAL 543 Ca 0.62 1.44 0.06 0.00 -1.81 0.00 0.00 61.98 62.29 1p93 s VAL 543 Cb -0.15 -3.71 -0.02 0.00 0.56 0.00 0.00 36.38 33.06 1p93 s VAL 543 CO 0.42 -0.07 0.39 -0.76 -0.31 0.00 0.00 175.10 174.77 1p93 s LEU 544 N -2.74 4.20 0.13 1.32 1.43 -1.26 -5.02 118.68 116.74 1p93 s LEU 544 Ca 0.58 -0.02 0.03 0.00 -1.03 0.00 0.00 54.13 53.69 1p93 s LEU 544 Cb -0.18 -2.82 -0.04 0.00 0.03 0.00 0.00 46.19 43.19 1p93 s LEU 544 CO 0.22 -0.19 0.21 -0.31 0.23 0.00 0.00 176.35 176.51 1p93 s TYR 545 N -2.05 3.36 0.18 0.29 2.02 -1.26 -4.07 117.35 115.83 1p93 s TYR 545 Ca 0.38 0.09 -0.08 0.00 -0.37 0.00 0.00 57.07 57.09 1p93 s TYR 545 Cb -0.09 -1.63 0.08 0.00 -0.40 0.00 0.00 41.96 39.92 1p93 s TYR 545 CO 0.30 0.53 1.58 0.00 -1.57 0.00 0.00 175.55 176.38 1p93 h ALA 546 N 2.47 0.76 -0.53 3.71 0.00 -1.94 -3.48 119.26 120.26 1p93 h ALA 546 Ca -0.48 -0.39 -0.09 0.00 0.00 0.00 0.00 54.91 53.96 1p93 h ALA 546 Cb 1.19 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1p93 h ALA 546 CO 0.68 0.66 -0.10 0.41 0.00 0.00 0.00 179.25 180.89 1p93 n GLY 547 N -0.13 0.30 3.66 0.00 0.00 -1.26 -4.70 105.19 103.06 1p93 n GLY 547 Ca -0.00 -0.74 -0.29 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.20 2.03 -0.25 1.61 6.04 -1.26 -4.98 117.35 118.34 1p93 s TYR 548 Ca 0.00 1.00 0.12 0.00 0.04 0.00 0.00 57.07 58.23 1p93 s TYR 548 Cb 0.00 -3.25 0.56 0.00 -1.04 0.00 0.00 41.96 38.23 1p93 s TYR 548 CO 0.00 -3.00 1.52 -3.47 -1.54 0.00 0.00 175.55 169.07 1p93 n ASP 549 N -4.25 3.56 0.00 4.32 -0.08 -1.26 -4.95 116.55 113.89 1p93 n ASP 549 Ca 0.05 -3.33 0.00 0.00 -1.51 0.00 0.00 54.79 49.99 1p93 n ASP 549 Cb 0.57 -0.62 0.00 0.00 2.34 0.00 0.00 41.12 43.41 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 -0.69 0.00 -0.03 1.67 3.41 -1.26 -2.89 113.62 113.82 1p93 n SER 550 Ca 0.30 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.90 1p93 n SER 550 Cb 1.06 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 65.00 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 -4.69 4.04 3.41 -1.26 -4.28 113.62 110.77 1p93 n SER 551 Ca 0.00 0.46 -0.45 0.00 -0.26 0.00 0.00 58.87 58.62 1p93 n SER 551 Cb 0.00 -0.18 -0.04 0.00 -0.26 0.00 0.00 64.21 63.73 1p93 n SER 551 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1p93 n VAL 552 N -2.76 0.06 -1.10 -3.33 0.31 -1.14 -4.86 118.33 105.51 1p93 n VAL 552 Ca 0.00 -0.01 -0.34 0.00 -0.01 0.00 0.00 64.34 63.98 1p93 n VAL 552 Cb 0.02 -1.75 0.01 0.00 -0.91 0.00 0.00 33.84 31.21 1p93 n VAL 552 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1p93 n PRO 553 N 3.95 0.00 -2.46 5.55 -0.02 -1.26 -4.81 135.00 135.94 1p93 n PRO 553 Ca 0.17 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.23 1p93 n PRO 553 Cb 0.31 -0.88 -0.03 0.00 -0.02 0.00 0.00 33.50 32.88 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 -0.88 7.14 0.16 2.55 1.11 -1.26 -5.05 116.67 120.45 1p93 s ASP 554 Ca 0.50 2.01 0.10 0.00 0.18 0.00 0.00 52.55 55.34 1p93 s ASP 554 Cb -0.43 -2.58 -0.04 0.00 1.07 0.00 0.00 42.92 40.93 1p93 s ASP 554 CO 0.59 -0.39 -0.18 -0.55 1.18 0.00 0.00 175.17 175.82 1p93 s SER 555 N 0.75 3.84 0.37 0.27 0.15 -1.26 -5.04 113.70 112.78 1p93 s SER 555 Ca 0.56 -0.67 0.18 0.00 0.70 0.00 0.00 55.95 56.71 1p93 s SER 555 Cb -0.29 -0.50 0.69 0.00 -1.71 0.00 0.00 66.02 64.22 1p93 s SER 555 CO 0.31 0.14 1.75 0.74 1.20 0.00 0.00 173.24 177.37 1p93 h THR 556 N 3.19 0.97 0.00 6.45 2.02 -1.96 -2.93 112.91 120.65 1p93 h THR 556 Ca -0.48 -1.51 -0.24 0.00 0.77 0.00 0.00 66.41 64.95 1p93 h THR 556 Cb 1.19 1.89 -0.04 0.00 -1.74 0.00 0.00 68.15 69.45 1p93 h THR 556 CO 0.49 0.38 -2.09 -2.67 0.37 0.00 0.00 175.52 172.00 1p93 n TRP 557 N -3.63 0.23 -0.19 3.16 4.27 -1.26 -3.06 117.44 116.97 1p93 n TRP 557 Ca -0.01 0.08 -0.04 0.00 -3.89 0.00 0.00 57.50 53.64 1p93 n TRP 557 Cb 0.49 -0.90 0.15 0.00 -1.36 0.00 0.00 31.31 29.69 1p93 n TRP 557 CO 0.00 0.00 0.00 -0.09 -2.29 0.00 0.00 177.69 175.31 1p93 h ARG 558 N 0.00 0.96 0.18 -2.67 2.43 -1.92 -1.75 114.38 111.62 1p93 h ARG 558 Ca -0.33 -0.19 -0.01 0.00 -0.81 0.00 0.00 59.98 58.64 1p93 h ARG 558 Cb 1.81 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 31.22 1p93 h ARG 558 CO 0.03 0.83 -0.09 0.82 -1.51 0.00 0.00 179.97 180.05 1p93 h ILE 559 N 0.93 0.00 -0.99 1.20 2.04 -1.67 -3.12 117.51 115.89 1p93 h ILE 559 Ca 0.21 -0.16 0.34 0.00 1.00 0.00 0.00 64.86 66.25 1p93 h ILE 559 Cb 0.27 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 36.20 1p93 h ILE 559 CO -0.01 0.00 0.53 0.24 0.00 0.00 0.00 178.15 178.92 1p93 h MET 560 N -0.40 0.23 0.18 2.37 2.86 -1.53 0.14 114.93 118.77 1p93 h MET 560 Ca -0.03 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.59 1p93 h MET 560 Cb 0.19 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.80 1p93 h MET 560 CO 0.04 0.15 -0.09 1.15 1.06 0.00 0.00 176.91 179.22 1p93 h THR 561 N 0.23 0.91 -0.97 2.22 2.02 -1.43 -2.52 112.91 113.37 1p93 h THR 561 Ca 0.75 -0.43 0.25 0.00 0.77 0.00 0.00 66.41 67.76 1p93 h THR 561 Cb 1.78 1.17 -0.13 0.00 -1.74 0.00 0.00 68.15 69.22 1p93 h THR 561 CO -0.66 0.10 0.53 0.74 0.37 0.00 0.00 175.52 176.60 1p93 h THR 562 N -0.45 0.47 -0.01 3.16 2.02 -0.67 0.37 112.91 117.80 1p93 h THR 562 Ca -0.02 -0.16 -0.09 0.00 0.77 0.00 0.00 66.41 66.90 1p93 h THR 562 Cb 0.35 -0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 66.69 1p93 h THR 562 CO 0.04 0.09 -0.42 -0.07 0.37 0.00 0.00 175.52 175.53 1p93 h LEU 563 N 0.48 0.03 -0.78 2.58 3.38 -1.21 0.25 115.31 120.04 1p93 h LEU 563 Ca 0.64 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 58.48 1p93 h LEU 563 Cb 1.27 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.99 1p93 h LEU 563 CO -0.52 0.45 -0.56 0.78 0.09 0.00 0.00 178.44 178.68 1p93 h ASN 564 N 0.02 0.00 -0.00 -0.43 2.35 0.14 1.98 115.58 119.64 1p93 h ASN 564 Ca -0.00 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.69 1p93 h ASN 564 Cb 0.76 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.13 1p93 h ASN 564 CO 0.06 0.56 -0.23 0.24 -1.65 0.00 0.00 177.43 176.40 1p93 h MET 565 N 0.00 0.16 0.52 0.81 2.86 -0.75 0.53 114.93 119.06 1p93 h MET 565 Ca -0.01 -0.17 -0.02 0.00 -2.06 0.00 0.00 59.70 57.44 1p93 h MET 565 Cb 1.06 0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.77 1p93 h MET 565 CO 0.07 0.91 -0.26 1.25 1.06 0.00 0.00 176.91 179.94 1p93 h LEU 566 N -0.51 -0.61 -2.11 1.22 5.85 -0.31 -0.93 115.31 117.90 1p93 h LEU 566 Ca -0.03 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 1p93 h LEU 566 Cb 0.99 0.16 -0.00 0.00 0.37 0.00 0.00 40.66 42.18 1p93 h LEU 566 CO 0.05 -0.43 -0.06 1.23 -0.34 0.00 0.00 178.44 178.88 1p93 h GLY 567 N -0.71 0.00 1.68 3.75 0.00 0.31 0.14 103.07 108.24 1p93 h GLY 567 Ca -0.07 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.11 1p93 h GLY 567 CO 0.11 0.00 -0.59 -1.33 0.00 0.00 0.00 176.54 174.73 1p93 h GLY 568 N 0.30 0.36 1.86 4.60 0.00 0.64 -2.69 103.07 108.15 1p93 h GLY 568 Ca -0.00 -0.44 -0.23 0.00 0.00 0.00 0.00 47.33 46.65 1p93 h GLY 568 CO 0.01 0.40 -1.09 3.21 0.00 0.00 0.00 176.54 179.06 1p93 h ARG 569 N 0.25 0.09 -0.33 4.80 3.08 0.20 -3.25 114.38 119.23 1p93 h ARG 569 Ca -0.00 -0.16 -0.09 0.00 0.07 0.00 0.00 59.98 59.80 1p93 h ARG 569 Cb 1.10 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 31.20 1p93 h ARG 569 CO 0.10 1.07 -0.18 1.96 -1.07 0.00 0.00 179.97 181.85 1p93 h GLN 570 N 0.03 0.60 0.33 0.04 4.20 -0.71 -3.00 115.11 116.59 1p93 h GLN 570 Ca -0.06 -0.21 0.00 0.00 0.06 0.00 0.00 58.65 58.45 1p93 h GLN 570 Cb 1.84 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 29.55 1p93 h GLN 570 CO 0.15 0.75 -0.40 0.28 -0.67 0.00 0.00 178.83 178.94 1p93 h VAL 571 N 0.54 0.18 -0.27 -0.54 2.07 -1.51 -1.63 116.25 115.10 1p93 h VAL 571 Ca 0.09 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.67 1p93 h VAL 571 Cb 0.61 0.18 -0.08 0.00 -1.52 0.00 0.00 31.29 30.48 1p93 h VAL 571 CO 0.04 0.00 -0.38 0.40 0.02 0.00 0.00 177.57 177.66 1p93 h ILE 572 N -0.78 0.19 -1.00 4.57 2.04 -1.64 0.44 117.51 121.33 1p93 h ILE 572 Ca -0.02 0.00 0.27 0.00 1.00 0.00 0.00 64.86 66.11 1p93 h ILE 572 Cb 0.72 0.19 -0.06 0.00 -0.74 0.00 0.00 36.82 36.93 1p93 h ILE 572 CO -0.11 0.00 0.69 0.00 0.00 0.00 0.00 178.15 178.73 1p93 h ALA 573 N 0.42 2.60 0.00 1.87 0.00 -1.33 1.33 119.26 124.15 1p93 h ALA 573 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1p93 h ALA 573 Cb 0.58 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1p93 h ALA 573 CO -0.47 -0.92 0.00 0.00 0.00 0.00 0.00 179.25 177.86 1p93 h ALA 574 N 1.55 1.00 0.00 0.00 0.00 0.83 -1.64 119.26 121.00 1p93 h ALA 574 Ca 0.52 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.42 1p93 h ALA 574 Cb 1.66 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.45 1p93 h ALA 574 CO -0.13 0.00 -0.06 0.28 0.00 0.00 0.00 179.25 179.35 1p93 h VAL 575 N 0.00 0.13 -0.96 0.00 2.07 0.27 0.45 116.25 118.20 1p93 h VAL 575 Ca 0.00 -1.10 0.24 0.00 0.82 0.00 0.00 66.70 66.66 1p93 h VAL 575 Cb 0.60 0.24 -0.13 0.00 -1.52 0.00 0.00 31.29 30.48 1p93 h VAL 575 CO 0.00 0.04 0.51 0.50 0.02 0.00 0.00 177.57 178.64 1p93 h LYS 576 N -1.00 0.48 0.23 1.57 3.64 -1.36 0.29 116.57 120.42 1p93 h LYS 576 Ca -0.00 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 1p93 h LYS 576 Cb 0.12 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 1p93 h LYS 576 CO -0.00 0.32 -0.11 2.35 -2.27 0.00 0.00 179.45 179.74 1p93 h TRP 577 N 0.50 -0.28 -0.59 1.91 7.01 -1.36 -2.92 115.95 120.22 1p93 h TRP 577 Ca 0.61 -0.01 0.09 0.00 2.11 0.00 0.00 58.89 61.70 1p93 h TRP 577 Cb 1.17 0.09 -0.11 0.00 -2.10 0.00 0.00 29.16 28.22 1p93 h TRP 577 CO -0.06 -0.01 -0.42 0.00 -2.79 0.00 0.00 178.44 175.16 1p93 h ALA 578 N 0.15 -0.28 -0.94 2.65 0.00 0.35 -1.34 119.26 119.85 1p93 h ALA 578 Ca -0.03 0.12 0.08 0.00 0.00 0.00 0.00 54.91 55.08 1p93 h ALA 578 Cb 0.41 0.94 -0.07 0.00 0.00 0.00 0.00 17.79 19.06 1p93 h ALA 578 CO 0.05 -0.80 0.59 0.87 0.00 0.00 0.00 179.25 179.96 1p93 h LYS 579 N -0.21 1.00 0.00 0.00 1.57 -1.22 0.26 116.57 117.98 1p93 h LYS 579 Ca 0.19 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1p93 h LYS 579 Cb 0.56 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.64 1p93 h LYS 579 CO -0.69 0.66 0.00 0.00 -0.57 0.00 0.00 179.45 178.85 1p93 n ALA 580 N -2.36 1.95 -2.68 3.86 0.00 -0.52 -3.80 120.51 116.97 1p93 n ALA 580 Ca 0.15 -0.05 -0.40 0.00 0.00 0.00 0.00 53.44 53.15 1p93 n ALA 580 Cb 0.23 -1.12 -0.06 0.00 0.00 0.00 0.00 19.45 18.50 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 5.06 0.20 0.00 1.01 0.08 -5.01 121.20 120.53 1p93 s ILE 581 Ca 0.11 1.16 -0.32 0.00 0.00 0.00 0.00 60.65 61.60 1p93 s ILE 581 Cb 0.05 -3.93 -0.14 0.00 0.01 0.00 0.00 42.46 38.45 1p93 s ILE 581 CO 0.09 0.16 1.38 -2.65 0.00 0.00 0.00 174.94 173.93 1p93 n PRO 582 N 4.67 1.81 -0.16 2.79 -0.02 -1.26 -0.57 135.00 142.26 1p93 n PRO 582 Ca -0.02 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 1p93 n PRO 582 Cb 0.50 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 1p93 n PRO 582 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1p93 n GLY 583 N 2.39 2.50 0.03 -1.23 0.00 -1.26 -4.88 105.19 102.75 1p93 n GLY 583 Ca 0.14 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 0.00 -1.03 1.61 3.57 -1.12 -3.27 116.94 116.70 1p93 h PHE 584 Ca 0.00 0.00 0.30 0.00 3.53 0.00 0.00 57.97 61.80 1p93 h PHE 584 Cb 0.00 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 38.70 1p93 h PHE 584 CO 0.00 0.00 0.83 0.00 -2.23 0.00 0.00 178.31 176.91 1p93 h ARG 585 N -0.61 0.00 0.77 1.11 3.08 -1.66 -1.93 114.38 115.15 1p93 h ARG 585 Ca 0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 1p93 h ARG 585 Cb 0.03 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.08 1p93 h ARG 585 CO 0.00 0.00 -0.37 -0.91 -1.07 0.00 0.00 179.97 177.62 1p93 h ASN 586 N 0.00 -0.88 -1.18 7.04 -0.26 -1.90 -3.46 115.58 114.95 1p93 h ASN 586 Ca 0.49 0.02 -0.33 0.00 -0.56 0.00 0.00 56.30 55.91 1p93 h ASN 586 Cb 2.13 0.23 0.15 0.00 -1.06 0.00 0.00 38.32 39.77 1p93 h ASN 586 CO -0.01 -0.59 -1.19 0.18 -1.06 0.00 0.00 177.43 174.77 1p93 n LEU 587 N -5.51 -3.57 -4.76 1.61 4.77 -0.73 -4.78 117.00 104.03 1p93 n LEU 587 Ca -0.14 0.10 -0.41 0.00 -0.03 0.00 0.00 56.01 55.53 1p93 n LEU 587 Cb 0.42 -0.45 -0.03 0.00 -2.33 0.00 0.00 43.42 41.03 1p93 n LEU 587 CO 0.37 -3.54 0.97 -2.28 -1.33 0.00 0.00 177.39 171.58 1p93 s HIS 588 N -1.23 3.15 0.56 -1.77 5.65 -1.26 -4.85 115.29 115.54 1p93 s HIS 588 Ca 0.24 1.37 0.34 0.00 0.25 0.00 0.00 55.06 57.26 1p93 s HIS 588 Cb -0.10 -3.63 1.47 0.00 -1.18 0.00 0.00 32.58 29.14 1p93 s HIS 588 CO 0.50 -1.80 1.77 1.25 -0.65 0.00 0.00 174.74 175.81 1p93 h LEU 589 N 4.02 0.00 -1.69 8.88 6.46 -1.91 0.40 115.31 131.47 1p93 h LEU 589 Ca -0.47 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.29 1p93 h LEU 589 Cb 1.22 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.15 1p93 h LEU 589 CO 0.69 0.00 0.00 0.47 -0.62 0.00 0.00 178.44 178.98 1p93 n ASP 590 N -3.96 2.35 0.00 1.25 8.00 -1.26 -1.78 116.55 121.15 1p93 n ASP 590 Ca 0.21 -2.26 0.00 0.00 0.71 0.00 0.00 54.79 53.45 1p93 n ASP 590 Cb 1.15 -0.51 0.00 0.00 -0.02 0.00 0.00 41.12 41.74 1p93 n ASP 590 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1p93 n ASP 591 N 0.20 0.02 -0.13 -2.24 8.00 0.12 -4.09 116.55 118.43 1p93 n ASP 591 Ca 0.09 0.01 -0.04 0.00 0.71 0.00 0.00 54.79 55.55 1p93 n ASP 591 Cb 0.51 -0.00 0.04 0.00 -0.02 0.00 0.00 41.12 41.64 1p93 n ASP 591 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 1p93 h GLN 592 N 0.00 0.17 -0.02 -1.24 4.20 -1.60 0.79 115.11 117.40 1p93 h GLN 592 Ca 0.00 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.68 1p93 h GLN 592 Cb 0.76 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.49 1p93 h GLN 592 CO 0.00 0.11 -0.09 1.98 -0.67 0.00 0.00 178.83 180.16 1p93 h MET 593 N 0.18 0.04 0.05 1.46 4.05 -1.61 -3.04 114.93 116.05 1p93 h MET 593 Ca 0.21 -0.00 -0.36 0.00 -0.28 0.00 0.00 59.70 59.26 1p93 h MET 593 Cb 0.27 -0.01 -0.05 0.00 -0.80 0.00 0.00 31.60 31.02 1p93 h MET 593 CO -0.29 0.13 -2.17 0.25 0.23 0.00 0.00 176.91 175.05 1p93 n THR 594 N -4.41 1.61 -0.31 -0.77 -2.24 -0.23 -3.44 114.28 104.49 1p93 n THR 594 Ca -0.02 -0.68 0.10 0.00 -2.27 0.00 0.00 64.05 61.18 1p93 n THR 594 Cb 0.18 -1.35 0.27 0.00 -2.10 0.00 0.00 70.33 67.32 1p93 n THR 594 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1p93 h LEU 595 N 0.03 0.57 -0.38 3.22 3.38 0.50 0.72 115.31 123.34 1p93 h LEU 595 Ca -0.47 0.10 -0.10 0.00 0.09 0.00 0.00 57.88 57.50 1p93 h LEU 595 Cb 2.02 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 42.77 1p93 h LEU 595 CO 0.02 0.20 -0.14 -0.07 0.09 0.00 0.00 178.44 178.54 1p93 h LEU 596 N 0.63 0.78 -1.33 1.67 3.38 -1.70 -2.66 115.31 116.08 1p93 h LEU 596 Ca 0.51 -0.39 0.27 0.00 0.09 0.00 0.00 57.88 58.37 1p93 h LEU 596 Cb 0.80 -0.22 -0.10 0.00 0.09 0.00 0.00 40.66 41.23 1p93 h LEU 596 CO -0.40 0.99 0.67 1.56 0.09 0.00 0.00 178.44 181.35 1p93 h GLN 597 N 0.57 0.39 0.00 1.13 4.20 -0.88 -1.72 115.11 118.81 1p93 h GLN 597 Ca 0.09 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.78 1p93 h GLN 597 Cb 0.68 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.37 1p93 h GLN 597 CO 0.05 0.26 -0.59 0.98 -0.67 0.00 0.00 178.83 178.86 1p93 n TYR 598 N -4.65 0.72 -0.29 2.96 9.36 -1.11 -4.65 117.16 119.50 1p93 n TYR 598 Ca 0.26 0.31 0.10 0.00 3.32 0.00 0.00 57.90 61.89 1p93 n TYR 598 Cb 0.88 -0.70 0.26 0.00 -0.63 0.00 0.00 39.34 39.14 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 -0.97 0.31 -0.42 2.98 4.64 -1.41 -3.31 113.55 115.38 1p93 h SER 599 Ca 0.00 0.14 0.13 0.00 -0.47 0.00 0.00 61.79 61.59 1p93 h SER 599 Cb 0.59 0.12 -0.08 0.00 -0.31 0.00 0.00 62.40 62.72 1p93 h SER 599 CO 0.00 0.05 0.06 -2.67 -0.87 0.00 0.00 176.83 173.40 1p93 n TRP 600 N -5.03 0.32 0.23 4.77 4.27 -0.65 0.35 117.44 121.70 1p93 n TRP 600 Ca 0.19 0.50 0.08 0.00 -3.89 0.00 0.00 57.50 54.38 1p93 n TRP 600 Cb 0.56 -0.85 0.53 0.00 -1.36 0.00 0.00 31.31 30.19 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 0.00 0.01 -2.67 4.05 -1.87 -1.41 114.93 113.04 1p93 h MET 601 Ca 0.28 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.70 1p93 h MET 601 Cb 0.63 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.43 1p93 h MET 601 CO -0.38 0.24 -0.00 1.03 0.23 0.00 0.00 176.91 178.03 1p93 h SER 602 N 0.00 -0.01 0.18 1.39 0.87 0.58 -2.31 113.55 114.25 1p93 h SER 602 Ca -0.00 -0.70 -0.01 0.00 -1.23 0.00 0.00 61.79 59.84 1p93 h SER 602 Cb 0.54 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.50 1p93 h SER 602 CO 0.03 0.71 -0.09 -0.07 -0.53 0.00 0.00 176.83 176.88 1p93 h LEU 603 N -0.73 -0.20 -0.43 2.23 3.38 -1.42 -1.47 115.31 116.66 1p93 h LEU 603 Ca -0.00 -0.10 0.06 0.00 0.09 0.00 0.00 57.88 57.92 1p93 h LEU 603 Cb 0.71 0.05 -0.09 0.00 0.09 0.00 0.00 40.66 41.43 1p93 h LEU 603 CO 0.00 -0.02 -0.53 0.24 0.09 0.00 0.00 178.44 178.23 1p93 h MET 604 N -0.38 -0.35 -1.03 1.13 2.86 -1.36 0.70 114.93 116.50 1p93 h MET 604 Ca -0.02 0.02 0.28 0.00 -2.06 0.00 0.00 59.70 57.92 1p93 h MET 604 Cb 0.29 0.08 -0.07 0.00 0.06 0.00 0.00 31.60 31.97 1p93 h MET 604 CO 0.04 -0.23 0.71 0.00 1.06 0.00 0.00 176.91 178.48 1p93 h ALA 605 N 0.11 2.59 -0.01 6.32 0.00 -1.27 0.28 119.26 127.29 1p93 h ALA 605 Ca 0.10 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1p93 h ALA 605 Cb 0.59 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1p93 h ALA 605 CO -0.61 -0.94 -0.01 0.35 0.00 0.00 0.00 179.25 178.04 1p93 h PHE 606 N 0.21 0.03 -0.69 0.00 3.57 0.14 -1.14 116.94 119.05 1p93 h PHE 606 Ca 0.54 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 62.11 1p93 h PHE 606 Cb 1.71 -0.00 -0.07 0.00 2.79 0.00 0.00 35.95 40.38 1p93 h PHE 606 CO -0.00 0.60 0.36 0.00 -2.23 0.00 0.00 178.31 177.03 1p93 h ALA 607 N 0.42 0.95 -0.24 2.41 0.00 0.62 -1.90 119.26 121.52 1p93 h ALA 607 Ca 0.00 0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.00 1p93 h ALA 607 Cb 0.60 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 1p93 h ALA 607 CO 0.00 -0.02 -0.03 1.25 0.00 0.00 0.00 179.25 180.45 1p93 h LEU 608 N 0.62 -0.16 -1.22 0.00 5.85 -0.90 -0.82 115.31 118.68 1p93 h LEU 608 Ca 0.33 0.06 -0.05 0.00 0.84 0.00 0.00 57.88 59.07 1p93 h LEU 608 Cb 0.31 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 1p93 h LEU 608 CO -0.24 -0.05 0.05 1.23 -0.34 0.00 0.00 178.44 179.09 1p93 h GLY 609 N 0.04 0.63 0.75 3.75 0.00 -0.64 0.42 103.07 108.02 1p93 h GLY 609 Ca 0.12 -0.36 -0.03 0.00 0.00 0.00 0.00 47.33 47.06 1p93 h GLY 609 CO -0.22 0.33 -0.29 -0.25 0.00 0.00 0.00 176.54 176.11 1p93 h TRP 610 N 0.57 -0.75 -0.64 5.60 2.91 -0.87 0.44 115.95 123.21 1p93 h TRP 610 Ca 0.13 -0.02 0.10 0.00 1.13 0.00 0.00 58.89 60.23 1p93 h TRP 610 Cb 0.29 0.25 -0.08 0.00 -0.51 0.00 0.00 29.16 29.11 1p93 h TRP 610 CO 0.01 -0.41 0.23 0.00 -1.03 0.00 0.00 178.44 177.24 1p93 h ARG 611 N -1.06 0.39 -0.24 2.65 3.08 -0.99 0.97 114.38 119.17 1p93 h ARG 611 Ca -0.08 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 59.91 1p93 h ARG 611 Cb 0.67 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.62 1p93 h ARG 611 CO 0.14 0.26 -0.02 0.77 -1.07 0.00 0.00 179.97 180.05 1p93 h SER 612 N 0.41 0.34 0.03 7.04 0.02 -0.84 -2.21 113.55 118.35 1p93 h SER 612 Ca 0.33 -0.05 -0.19 0.00 -0.84 0.00 0.00 61.79 61.04 1p93 h SER 612 Cb 0.43 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 62.88 1p93 h SER 612 CO -0.33 0.42 -0.67 0.22 -1.14 0.00 0.00 176.83 175.33 1p93 h TYR 613 N 0.36 0.78 0.00 3.45 3.20 0.38 -3.00 116.97 122.14 1p93 h TYR 613 Ca 0.08 -0.32 0.00 0.00 3.14 0.00 0.00 58.73 61.63 1p93 h TYR 613 Cb 0.27 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.41 1p93 h TYR 613 CO 0.01 1.09 0.21 0.54 -1.64 0.00 0.00 178.16 178.36 1p93 n ARG 614 N -3.92 0.04 0.00 1.82 3.00 0.29 -4.32 116.66 113.58 1p93 n ARG 614 Ca -0.05 0.44 0.00 0.00 -0.01 0.00 0.00 57.85 58.23 1p93 n ARG 614 Cb 0.68 -1.84 0.00 0.00 0.00 0.00 0.00 32.46 31.29 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 -1.65 0.00 -1.54 5.56 0.00 -1.26 -5.06 117.38 113.43 1p93 n GLN 615 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 57.00 56.66 1p93 n GLN 615 Cb 0.22 0.00 -0.06 0.00 0.00 0.00 0.00 30.24 30.40 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 -0.38 1.79 0.01 2.61 2.88 -1.13 -4.71 113.62 114.68 1p93 n SER 616 Ca 0.00 -0.54 -0.22 0.00 -1.33 0.00 0.00 58.87 56.79 1p93 n SER 616 Cb 0.00 -1.45 -0.14 0.00 -0.75 0.00 0.00 64.21 61.87 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 17.18 0.39 0.00 -3.46 0.02 -1.89 -3.32 113.55 122.48 1p93 h SER 617 Ca -0.17 -0.86 0.00 0.00 -0.84 0.00 0.00 61.79 59.92 1p93 h SER 617 Cb 1.24 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.65 1p93 h SER 617 CO 1.19 1.71 0.00 0.00 -1.14 0.00 0.00 176.83 178.59 1p93 n ALA 618 N -3.00 1.84 0.00 3.77 0.00 -1.26 -4.67 120.51 117.18 1p93 n ALA 618 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.16 1p93 n ALA 618 Cb 0.95 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.40 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 0.65 0.00 0.00 0.00 3.02 -1.25 -4.91 115.26 112.77 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 0.18 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.35 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 -4.53 3.41 4.77 -1.26 -4.79 117.00 114.60 1p93 n LEU 620 Ca 0.00 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.55 1p93 n LEU 620 Cb 0.00 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.02 1p93 n LEU 620 CO 0.00 0.00 0.34 -0.76 -1.33 0.00 0.00 177.39 175.64 1p93 s LEU 621 N 0.00 4.46 -0.59 2.23 1.43 -1.10 -4.65 118.68 120.46 1p93 s LEU 621 Ca 0.00 -0.23 -0.21 0.00 -1.03 0.00 0.00 54.13 52.66 1p93 s LEU 621 Cb 0.00 -2.69 0.07 0.00 0.03 0.00 0.00 46.19 43.59 1p93 s LEU 621 CO 0.00 -0.69 0.83 0.00 0.23 0.00 0.00 176.35 176.72 1p93 n PHE 623 N 7.03 0.33 -4.18 0.00 3.72 -1.02 -4.26 117.46 119.08 1p93 n PHE 623 Ca -0.04 0.14 -0.29 0.00 -0.05 0.00 0.00 57.45 57.21 1p93 n PHE 623 Cb 0.45 -0.43 -0.09 0.00 -0.94 0.00 0.00 39.48 38.48 1p93 n PHE 623 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1p93 s ALA 624 N -2.90 3.13 0.62 4.37 0.00 -0.79 -4.90 121.76 121.29 1p93 s ALA 624 Ca -0.06 -1.21 0.33 0.00 0.00 0.00 0.00 51.96 51.01 1p93 s ALA 624 Cb 0.01 -1.03 1.82 0.00 0.00 0.00 0.00 23.12 23.92 1p93 s ALA 624 CO 0.09 0.64 2.11 -1.35 0.00 0.00 0.00 175.76 177.26 1p93 h PRO 625 N 3.38 0.00 0.00 0.00 0.11 -1.92 0.43 132.00 134.00 1p93 h PRO 625 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1p93 h PRO 625 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1p93 h PRO 625 CO 0.56 0.00 -1.46 -0.40 -0.21 0.00 0.00 178.00 176.49 1p93 n ASP 626 N -3.43 0.84 -4.03 -2.05 3.85 -1.26 -4.80 116.55 105.67 1p93 n ASP 626 Ca -0.00 -0.34 -0.33 0.00 -0.71 0.00 0.00 54.79 53.41 1p93 n ASP 626 Cb 0.29 1.52 -0.12 0.00 -1.35 0.00 0.00 41.12 41.47 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 -3.74 4.82 0.02 -2.12 2.96 0.14 -5.01 118.68 115.76 1p93 s LEU 627 Ca -0.02 -2.81 0.08 0.00 -0.22 0.00 0.00 54.13 51.16 1p93 s LEU 627 Cb 0.12 -1.75 -0.03 0.00 0.50 0.00 0.00 46.19 45.04 1p93 s LEU 627 CO 0.74 -0.32 -0.22 -0.63 -1.32 0.00 0.00 176.35 174.60 1p93 s ILE 628 N -0.00 2.44 -0.32 6.68 1.09 -1.25 -1.88 121.20 127.95 1p93 s ILE 628 Ca 0.16 -1.20 -0.15 0.00 -1.10 0.00 0.00 60.65 58.36 1p93 s ILE 628 Cb -0.23 -1.96 -0.02 0.00 -1.06 0.00 0.00 42.46 39.19 1p93 s ILE 628 CO -0.02 0.42 0.37 -0.63 -0.10 0.00 0.00 174.94 174.98 1p93 s ILE 629 N -0.80 5.16 0.00 2.92 1.01 -0.49 -4.96 121.20 124.05 1p93 s ILE 629 Ca 0.12 0.20 0.00 0.00 0.00 0.00 0.00 60.65 60.98 1p93 s ILE 629 Cb -0.10 -3.79 0.00 0.00 0.01 0.00 0.00 42.46 38.58 1p93 s ILE 629 CO 0.02 -0.03 0.00 -0.46 0.00 0.00 0.00 174.94 174.48 1p93 n ASN 630 N 5.39 0.00 0.00 3.58 0.23 -1.26 -2.72 115.26 120.48 1p93 n ASN 630 Ca -0.09 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.96 1p93 n ASN 630 Cb 0.50 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.20 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 -3.99 120.64 111.56 1p93 n GLU 631 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.17 1p93 n GLU 631 Cb 0.00 -0.13 0.02 0.00 -0.00 0.00 0.00 31.44 31.33 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 -1.70 0.01 -0.04 3.44 0.00 -1.26 0.15 117.38 117.99 1p93 n GLN 632 Ca 0.00 0.19 -0.14 0.00 0.00 0.00 0.00 57.00 57.05 1p93 n GLN 632 Cb 0.00 -1.50 -0.14 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 -1.19 0.68 0.12 2.61 0.63 -1.26 -3.53 116.66 114.73 1p93 n ARG 633 Ca 0.00 0.21 0.01 0.00 -0.92 0.00 0.00 57.85 57.15 1p93 n ARG 633 Cb 0.00 -1.69 0.31 0.00 0.45 0.00 0.00 32.46 31.54 1p93 n ARG 633 CO 0.00 0.00 0.00 1.98 -2.51 0.00 0.00 177.63 177.10 1p93 h MET 634 N 0.02 0.18 0.00 -0.14 4.05 0.13 -1.29 114.93 117.88 1p93 h MET 634 Ca -0.41 -0.06 0.00 0.00 -0.28 0.00 0.00 59.70 58.95 1p93 h MET 634 Cb 2.05 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 32.84 1p93 h MET 634 CO 0.05 0.47 0.00 0.25 0.23 0.00 0.00 176.91 177.92 1p93 n THR 635 N -4.13 0.00 -0.94 -0.77 -2.24 0.63 -3.31 114.28 103.52 1p93 n THR 635 Ca -0.01 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.47 1p93 n THR 635 Cb 0.39 -0.70 0.18 0.00 -2.10 0.00 0.00 70.33 68.10 1p93 n THR 635 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1p93 s LEU 636 N -1.83 1.83 -0.15 3.22 1.02 -0.49 -4.91 118.68 117.37 1p93 s LEU 636 Ca 0.17 1.55 -0.29 0.00 0.02 0.00 0.00 54.13 55.58 1p93 s LEU 636 Cb 0.08 -3.78 -0.05 0.00 0.02 0.00 0.00 46.19 42.46 1p93 s LEU 636 CO 0.13 -3.23 1.82 -2.84 0.02 0.00 0.00 176.35 172.25 1p93 s PRO 637 N -4.76 3.75 -1.35 1.29 0.02 -1.26 -2.70 135.00 129.99 1p93 s PRO 637 Ca 0.66 1.98 -0.04 0.00 0.02 0.00 0.00 61.00 63.61 1p93 s PRO 637 Cb -0.21 -4.13 0.00 0.00 0.02 0.00 0.00 34.50 30.19 1p93 s PRO 637 CO 0.59 -1.36 0.58 -0.25 -0.33 0.00 0.00 177.00 176.23 1p93 n ASP 638 N 8.85 -5.61 -0.05 2.53 8.00 -1.26 -4.89 116.55 124.12 1p93 n ASP 638 Ca 0.21 -0.27 -0.03 0.00 0.71 0.00 0.00 54.79 55.41 1p93 n ASP 638 Cb 0.44 -4.43 -0.01 0.00 -0.02 0.00 0.00 41.12 37.11 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 -3.70 0.30 0.02 -1.24 1.56 -1.10 -4.27 117.12 108.70 1p93 n MET 639 Ca -0.09 0.44 0.04 0.00 -0.27 0.00 0.00 57.70 57.81 1p93 n MET 639 Cb 0.60 -1.39 0.42 0.00 2.15 0.00 0.00 33.22 35.00 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 -0.67 0.48 0.00 1.12 3.20 -1.77 -0.76 116.97 118.57 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 0.34 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.45 1p93 h TYR 640 CO -0.15 0.33 0.30 -0.25 -1.64 0.00 0.00 178.16 176.76 1p93 n ASP 641 N -4.45 0.04 0.00 -2.11 8.00 -1.26 -1.16 116.55 115.61 1p93 n ASP 641 Ca 0.02 0.26 0.00 0.00 0.71 0.00 0.00 54.79 55.79 1p93 n ASP 641 Cb 0.09 -0.25 0.00 0.00 -0.02 0.00 0.00 41.12 40.94 1p93 n ASP 641 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1p93 n GLN 642 N -1.35 0.51 0.29 -1.24 10.64 -0.65 -4.75 117.38 120.84 1p93 n GLN 642 Ca -0.00 0.00 0.17 0.00 -1.83 0.00 0.00 57.00 55.34 1p93 n GLN 642 Cb 0.31 -0.57 0.83 0.00 -0.86 0.00 0.00 30.24 29.95 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 0.00 0.28 0.00 0.00 2.10 -1.38 -0.89 116.57 116.68 1p93 h LYS 644 Ca -0.00 -0.02 -0.09 0.00 -2.00 0.00 0.00 60.65 58.54 1p93 h LYS 644 Cb 0.34 -0.06 -0.01 0.00 -0.90 0.00 0.00 32.23 31.59 1p93 h LYS 644 CO 0.01 0.19 -0.45 0.45 -2.00 0.00 0.00 179.45 177.64 1p93 h HIS 645 N 0.29 0.00 0.00 0.07 3.86 -1.70 -3.20 115.15 114.47 1p93 h HIS 645 Ca 0.45 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.66 1p93 h HIS 645 Cb 0.79 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.26 1p93 h HIS 645 CO -0.24 0.45 -0.00 0.52 0.86 0.00 0.00 177.93 179.52 1p93 h MET 646 N 0.00 -0.00 -1.25 2.45 2.86 -1.34 -3.27 114.93 114.37 1p93 h MET 646 Ca -0.00 0.00 0.36 0.00 -2.06 0.00 0.00 59.70 58.00 1p93 h MET 646 Cb 0.90 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.51 1p93 h MET 646 CO 0.06 0.97 0.96 -0.07 1.06 0.00 0.00 176.91 179.89 1p93 h LEU 647 N -0.98 0.00 -0.08 1.22 -0.00 -1.27 0.12 115.31 114.32 1p93 h LEU 647 Ca -0.00 0.00 0.03 0.00 -0.00 0.00 0.00 57.88 57.91 1p93 h LEU 647 Cb 0.97 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 41.57 1p93 h LEU 647 CO 0.00 0.00 -0.52 0.22 -0.00 0.00 0.00 178.44 178.14 1p93 h TYR 648 N 0.00 -1.51 -0.10 1.13 3.20 -1.60 -1.95 116.97 116.13 1p93 h TYR 648 Ca 0.59 0.05 0.04 0.00 3.14 0.00 0.00 58.73 62.56 1p93 h TYR 648 Cb 2.50 0.67 -0.06 0.00 1.54 0.00 0.00 36.73 41.38 1p93 h TYR 648 CO 0.00 -0.55 -0.37 0.28 -1.64 0.00 0.00 178.16 175.89 1p93 h VAL 649 N -0.60 0.22 0.00 1.81 2.07 -0.93 0.19 116.25 119.00 1p93 h VAL 649 Ca 0.03 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.57 1p93 h VAL 649 Cb 0.69 0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 1p93 h VAL 649 CO -0.40 0.00 -0.29 0.77 0.02 0.00 0.00 177.57 177.67 1p93 h SER 650 N -0.46 -0.90 -0.82 0.57 4.64 -1.54 1.49 113.55 116.53 1p93 h SER 650 Ca 0.08 0.10 0.19 0.00 -0.47 0.00 0.00 61.79 61.69 1p93 h SER 650 Cb 0.59 0.34 -0.05 0.00 -0.31 0.00 0.00 62.40 62.97 1p93 h SER 650 CO -0.36 -0.29 0.56 0.77 -0.87 0.00 0.00 176.83 176.64 1p93 h SER 651 N -0.37 0.31 1.05 4.97 4.64 -1.24 1.22 113.55 124.13 1p93 h SER 651 Ca 0.01 0.03 -0.17 0.00 -0.47 0.00 0.00 61.79 61.19 1p93 h SER 651 Cb 0.39 -0.03 -0.03 0.00 -0.31 0.00 0.00 62.40 62.43 1p93 h SER 651 CO -0.20 0.14 -1.01 -0.08 -0.87 0.00 0.00 176.83 174.82 1p93 h GLU 652 N 0.32 0.00 0.13 4.77 4.57 0.25 -1.36 114.58 123.27 1p93 h GLU 652 Ca 0.41 0.00 -0.28 0.00 -1.18 0.00 0.00 59.36 58.31 1p93 h GLU 652 Cb 1.13 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.74 1p93 h GLU 652 CO -0.12 0.55 -1.24 1.25 -1.18 0.00 0.00 179.01 178.27 1p93 h LEU 653 N 0.00 0.58 0.52 1.64 5.85 0.40 -3.22 115.31 121.08 1p93 h LEU 653 Ca -0.08 -0.58 -0.03 0.00 0.84 0.00 0.00 57.88 58.03 1p93 h LEU 653 Cb 1.60 -0.18 0.01 0.00 0.37 0.00 0.00 40.66 42.45 1p93 h LEU 653 CO 0.08 1.43 -0.25 -0.74 -0.34 0.00 0.00 178.44 178.61 1p93 h HIS 654 N 0.14 -0.65 -0.80 1.25 2.76 0.14 -3.16 115.15 114.82 1p93 h HIS 654 Ca -0.15 -0.02 0.18 0.00 -2.20 0.00 0.00 60.37 58.18 1p93 h HIS 654 Cb 1.94 0.22 -0.15 0.00 1.55 0.00 0.00 27.41 30.96 1p93 h HIS 654 CO 0.08 -0.41 -0.12 -2.13 -1.30 0.00 0.00 177.93 174.05 1p93 n ARG 655 N -3.93 -0.07 -0.19 5.26 0.63 -0.51 0.24 116.66 118.09 1p93 n ARG 655 Ca -0.09 1.23 -0.00 0.00 -0.92 0.00 0.00 57.85 58.06 1p93 n ARG 655 Cb 0.28 -1.87 0.06 0.00 0.45 0.00 0.00 32.46 31.38 1p93 n ARG 655 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1p93 n LEU 656 N -5.24 2.45 -3.08 6.15 7.99 -1.20 -4.88 117.00 119.18 1p93 n LEU 656 Ca 0.15 -1.24 -0.13 0.00 -0.01 0.00 0.00 56.01 54.77 1p93 n LEU 656 Cb 0.47 -0.54 -0.04 0.00 -0.11 0.00 0.00 43.42 43.20 1p93 n LEU 656 CO -0.08 0.41 -0.16 0.00 -1.51 0.00 0.00 177.39 176.05 1p93 n GLN 657 N 0.14 -0.96 -0.73 3.23 1.13 0.14 -4.79 117.38 115.54 1p93 n GLN 657 Ca 0.07 0.04 -0.33 0.00 -1.94 0.00 0.00 57.00 54.85 1p93 n GLN 657 Cb 0.52 -1.49 0.15 0.00 0.11 0.00 0.00 30.24 29.53 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 -2.27 0.00 -4.40 5.09 0.31 -1.20 -5.03 118.33 110.83 1p93 n VAL 658 Ca -0.09 -0.25 -0.23 0.00 -0.01 0.00 0.00 64.34 63.76 1p93 n VAL 658 Cb 0.25 -0.62 -0.11 0.00 -0.91 0.00 0.00 33.84 32.45 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 -1.94 3.13 0.23 4.52 1.04 -1.26 -5.03 113.70 114.38 1p93 s SER 659 Ca 0.57 -0.94 -0.08 0.00 0.48 0.00 0.00 55.95 55.98 1p93 s SER 659 Cb -0.17 -0.22 0.20 0.00 0.10 0.00 0.00 66.02 65.93 1p93 s SER 659 CO 0.67 0.00 1.86 0.22 0.98 0.00 0.00 173.24 176.97 1p93 h TYR 660 N 2.82 1.18 -0.83 5.02 3.20 -1.99 -0.35 116.97 126.02 1p93 h TYR 660 Ca -0.42 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.42 1p93 h TYR 660 Cb 1.23 -0.38 -0.04 0.00 1.54 0.00 0.00 36.73 39.07 1p93 h TYR 660 CO 0.73 0.80 0.43 0.93 -1.64 0.00 0.00 178.16 179.41 1p93 h GLU 661 N 1.22 1.17 -0.19 1.82 5.08 -1.98 -1.50 114.58 120.19 1p93 h GLU 661 Ca 0.31 -0.15 -0.08 0.00 -1.00 0.00 0.00 59.36 58.45 1p93 h GLU 661 Cb -0.02 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.01 1p93 h GLU 661 CO -0.06 0.87 -0.18 0.93 -1.00 0.00 0.00 179.01 179.58 1p93 h GLU 662 N 1.17 0.46 -0.79 2.33 5.08 -1.76 -3.22 114.58 117.84 1p93 h GLU 662 Ca 0.29 -0.24 0.06 0.00 -1.00 0.00 0.00 59.36 58.47 1p93 h GLU 662 Cb 0.06 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.26 1p93 h GLU 662 CO -0.04 0.80 0.48 -0.92 -1.00 0.00 0.00 179.01 178.33 1p93 h TYR 663 N 0.13 0.89 -0.05 4.33 3.20 -0.89 -1.72 116.97 122.86 1p93 h TYR 663 Ca 0.03 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.91 1p93 h TYR 663 Cb 0.71 -0.28 -0.00 0.00 1.54 0.00 0.00 36.73 38.69 1p93 h TYR 663 CO 0.08 0.45 -0.06 -0.07 -1.64 0.00 0.00 178.16 176.91 1p93 h LEU 664 N 0.88 0.06 0.08 2.82 3.38 -1.29 0.37 115.31 121.62 1p93 h LEU 664 Ca 0.35 -0.01 -0.30 0.00 0.09 0.00 0.00 57.88 58.01 1p93 h LEU 664 Cb 0.17 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1p93 h LEU 664 CO -0.17 0.14 -1.58 0.00 0.09 0.00 0.00 178.44 176.91 1p93 h MET 666 N 0.05 -0.16 -0.80 0.00 2.86 -0.86 0.00 114.93 116.01 1p93 h MET 666 Ca -0.26 0.01 0.17 0.00 -2.06 0.00 0.00 59.70 57.57 1p93 h MET 666 Cb 2.00 0.04 -0.05 0.00 0.06 0.00 0.00 31.60 33.64 1p93 h MET 666 CO 0.13 0.24 0.54 -0.22 1.06 0.00 0.00 176.91 178.66 1p93 h LYS 667 N -0.61 0.37 0.00 1.72 3.64 -0.41 0.70 116.57 121.98 1p93 h LYS 667 Ca -0.02 -0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.25 1p93 h LYS 667 Cb 0.48 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 1p93 h LYS 667 CO 0.03 0.25 -0.42 1.15 -2.27 0.00 0.00 179.45 178.18 1p93 h THR 668 N 0.38 0.90 0.15 1.00 2.02 -1.37 -3.10 112.91 112.89 1p93 h THR 668 Ca 0.40 -1.73 -0.30 0.00 0.77 0.00 0.00 66.41 65.56 1p93 h THR 668 Cb 1.00 2.06 0.03 0.00 -1.74 0.00 0.00 68.15 69.50 1p93 h THR 668 CO -0.13 0.41 -1.25 -0.07 0.37 0.00 0.00 175.52 174.85 1p93 h LEU 669 N 0.00 0.84 0.00 2.58 3.38 0.22 -3.21 115.31 119.12 1p93 h LEU 669 Ca -0.00 -0.85 0.00 0.00 0.09 0.00 0.00 57.88 57.12 1p93 h LEU 669 Cb 1.03 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.51 1p93 h LEU 669 CO 0.05 1.61 0.00 0.18 0.09 0.00 0.00 178.44 180.38 1p93 n LEU 670 N -3.82 0.00 0.13 1.67 4.77 0.11 0.65 117.00 120.52 1p93 n LEU 670 Ca -0.14 0.32 0.12 0.00 -0.03 0.00 0.00 56.01 56.27 1p93 n LEU 670 Cb 0.99 -0.32 0.08 0.00 -2.33 0.00 0.00 43.42 41.84 1p93 n LEU 670 CO 0.58 -0.28 0.30 0.25 -1.33 0.00 0.00 177.39 176.91 1p93 h LEU 671 N 0.00 0.00 -1.30 2.23 6.46 -1.58 -3.30 115.31 117.82 1p93 h LEU 671 Ca 0.00 -0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.74 1p93 h LEU 671 Cb 0.03 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.96 1p93 h LEU 671 CO 0.00 0.01 -0.08 0.18 -0.62 0.00 0.00 178.44 177.93 1p93 n LEU 672 N -2.73 1.90 0.11 2.25 4.77 0.21 -4.66 117.00 118.84 1p93 n LEU 672 Ca 0.02 -0.93 0.19 0.00 -0.03 0.00 0.00 56.01 55.26 1p93 n LEU 672 Cb 0.53 0.00 0.62 0.00 -2.33 0.00 0.00 43.42 42.24 1p93 n LEU 672 CO 0.38 0.35 1.17 0.28 -1.33 0.00 0.00 177.39 178.24 1p93 h SER 673 N 2.26 0.00 -4.92 -1.43 0.02 -1.45 -3.42 113.55 104.61 1p93 h SER 673 Ca 0.00 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 60.76 1p93 h SER 673 Cb 0.52 0.00 -0.18 0.00 0.14 0.00 0.00 62.40 62.88 1p93 h SER 673 CO 0.00 0.00 -0.70 -0.44 -1.14 0.00 0.00 176.83 174.55 1p93 s SER 674 N -4.46 0.64 0.03 3.07 0.01 -1.26 0.28 113.70 112.01 1p93 s SER 674 Ca -0.03 -0.75 -0.04 0.00 1.31 0.00 0.00 55.95 56.44 1p93 s SER 674 Cb 0.12 0.11 -0.02 0.00 0.21 0.00 0.00 66.02 66.44 1p93 s SER 674 CO 0.41 -0.39 0.05 0.68 0.41 0.00 0.00 173.24 174.41 1p93 s VAL 675 N -2.54 0.14 0.10 3.43 -7.23 0.30 -4.87 120.40 109.73 1p93 s VAL 675 Ca -0.03 -1.15 -0.19 0.00 -1.81 0.00 0.00 61.98 58.81 1p93 s VAL 675 Cb -0.02 -0.84 -0.04 0.00 0.56 0.00 0.00 36.38 36.03 1p93 s VAL 675 CO -0.04 -0.63 1.17 -2.65 -0.31 0.00 0.00 175.10 172.64 1p93 n PRO 676 N 0.86 -0.27 0.00 4.82 -0.02 -1.26 0.12 135.00 139.26 1p93 n PRO 676 Ca -0.19 1.15 0.00 0.00 -2.02 0.00 0.00 63.50 62.44 1p93 n PRO 676 Cb 0.58 -1.70 0.00 0.00 -0.02 0.00 0.00 33.50 32.36 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 -4.44 0.00 -2.15 -0.52 3.00 -1.26 -1.27 118.16 111.52 1p93 n LYS 677 Ca 0.01 0.00 -0.04 0.00 -0.00 0.00 0.00 58.31 58.28 1p93 n LYS 677 Cb 0.16 0.00 0.05 0.00 0.00 0.00 0.00 35.03 35.24 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 2.24 -1.37 3.14 8.00 -1.26 -4.98 116.55 122.33 1p93 n ASP 678 Ca 0.00 -2.61 0.17 0.00 0.71 0.00 0.00 54.79 53.06 1p93 n ASP 678 Cb 0.00 -0.42 -0.06 0.00 -0.02 0.00 0.00 41.12 40.62 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 -0.45 -2.39 3.56 0.44 0.00 -1.26 -4.96 105.19 100.13 1p93 n GLY 679 Ca 0.17 -0.96 -0.24 0.00 0.00 0.00 0.00 46.02 44.98 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 -6.82 2.88 0.61 0.99 1.43 -1.26 -4.73 118.68 111.78 1p93 s LEU 680 Ca 0.00 -0.89 0.27 0.00 -1.03 0.00 0.00 54.13 52.49 1p93 s LEU 680 Cb 0.00 -1.37 1.30 0.00 0.03 0.00 0.00 46.19 46.15 1p93 s LEU 680 CO 0.00 -0.03 1.71 0.11 0.23 0.00 0.00 176.35 178.38 1p93 h LYS 681 N 2.05 0.00 -1.60 1.70 6.56 -1.92 0.13 116.57 123.49 1p93 h LYS 681 Ca -0.42 0.00 -0.52 0.00 -1.06 0.00 0.00 60.65 58.65 1p93 h LYS 681 Cb 1.25 0.00 -0.41 0.00 -0.57 0.00 0.00 32.23 32.50 1p93 h LYS 681 CO 0.62 0.00 -0.89 0.43 -2.06 0.00 0.00 179.45 177.54 1p93 n SER 682 N -3.43 3.32 0.33 0.86 7.64 -1.26 -4.88 113.62 116.20 1p93 n SER 682 Ca 0.10 -3.36 0.21 0.00 1.01 0.00 0.00 58.87 56.83 1p93 n SER 682 Cb 0.86 -0.52 1.12 0.00 -1.01 0.00 0.00 64.21 64.67 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 2.82 0.00 0.29 1.43 5.75 -1.10 -1.09 115.11 123.22 1p93 h GLN 683 Ca 0.14 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.62 1p93 h GLN 683 Cb 0.91 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.46 1p93 h GLN 683 CO 0.71 0.00 -0.14 0.93 -2.65 0.00 0.00 178.83 177.68 1p93 h GLU 684 N 0.00 -0.38 -0.80 1.69 3.07 -1.89 -3.15 114.58 113.11 1p93 h GLU 684 Ca -0.00 0.03 0.19 0.00 -0.50 0.00 0.00 59.36 59.08 1p93 h GLU 684 Cb 0.04 0.09 -0.14 0.00 -0.84 0.00 0.00 28.75 27.90 1p93 h GLU 684 CO 0.00 -0.25 0.06 -0.07 -1.40 0.00 0.00 179.01 177.35 1p93 h LEU 685 N -0.81 -0.28 -0.06 1.33 3.38 -1.86 0.17 115.31 117.18 1p93 h LEU 685 Ca -0.04 0.20 0.01 0.00 0.09 0.00 0.00 57.88 58.14 1p93 h LEU 685 Cb 0.30 0.34 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 1p93 h LEU 685 CO 0.07 -0.18 -0.07 0.15 0.09 0.00 0.00 178.44 178.49 1p93 h PHE 686 N 0.12 -0.22 -0.96 1.13 3.57 -1.28 0.73 116.94 120.03 1p93 h PHE 686 Ca 0.46 0.01 0.06 0.00 3.53 0.00 0.00 57.97 62.03 1p93 h PHE 686 Cb 0.84 0.10 -0.07 0.00 2.79 0.00 0.00 35.95 39.62 1p93 h PHE 686 CO -0.40 -0.06 0.62 -0.44 -2.23 0.00 0.00 178.31 175.80 1p93 h ASP 687 N -0.04 0.99 -0.17 0.41 5.19 -1.36 0.28 116.42 121.71 1p93 h ASP 687 Ca 0.01 0.01 0.05 0.00 -0.62 0.00 0.00 57.03 56.48 1p93 h ASP 687 Cb 0.07 -0.20 -0.06 0.00 0.18 0.00 0.00 39.33 39.32 1p93 h ASP 687 CO -0.08 0.63 -0.23 -0.08 -3.12 0.00 0.00 179.24 176.37 1p93 h GLU 688 N 1.13 -0.26 0.41 3.56 4.22 0.54 -0.78 114.58 123.40 1p93 h GLU 688 Ca 0.41 0.02 -0.02 0.00 0.08 0.00 0.00 59.36 59.85 1p93 h GLU 688 Cb 0.16 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1p93 h GLU 688 CO -0.17 -0.17 -0.20 0.82 -2.18 0.00 0.00 179.01 177.11 1p93 h ILE 689 N -0.27 0.49 -0.85 2.32 2.04 1.00 -3.21 117.51 119.04 1p93 h ILE 689 Ca 0.11 -0.52 0.34 0.00 1.00 0.00 0.00 64.86 65.79 1p93 h ILE 689 Cb 0.44 0.71 -0.15 0.00 -0.74 0.00 0.00 36.82 37.07 1p93 h ILE 689 CO -0.33 0.08 0.39 -1.14 0.00 0.00 0.00 178.15 177.15 1p93 n ARG 690 N -5.20 -0.05 0.27 2.37 0.63 0.92 -1.28 116.66 114.32 1p93 n ARG 690 Ca -0.10 1.19 -0.14 0.00 -0.92 0.00 0.00 57.85 57.88 1p93 n ARG 690 Cb 0.29 -2.10 -0.08 0.00 0.45 0.00 0.00 32.46 31.03 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 -0.68 -0.71 -0.14 4.05 -1.15 -2.55 114.93 113.76 1p93 h MET 691 Ca 0.69 0.05 0.20 0.00 -0.28 0.00 0.00 59.70 60.36 1p93 h MET 691 Cb 1.77 0.15 -0.03 0.00 -0.80 0.00 0.00 31.60 32.70 1p93 h MET 691 CO -0.68 -0.37 0.77 1.79 0.23 0.00 0.00 176.91 178.65 1p93 h THR 692 N -0.98 0.22 0.00 -0.77 1.35 -1.25 1.85 112.91 113.33 1p93 h THR 692 Ca -0.07 0.00 -0.24 0.00 -0.55 0.00 0.00 66.41 65.55 1p93 h THR 692 Cb 0.62 0.38 -0.04 0.00 -1.73 0.00 0.00 68.15 67.38 1p93 h THR 692 CO 0.12 0.00 -1.36 1.88 -0.25 0.00 0.00 175.52 175.91 1p93 h TYR 693 N 0.00 0.00 -0.35 4.73 0.05 -1.53 1.84 116.97 121.70 1p93 h TYR 693 Ca 0.34 0.00 -0.16 0.00 0.05 0.00 0.00 58.73 58.96 1p93 h TYR 693 Cb 1.88 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 39.62 1p93 h TYR 693 CO 0.00 0.92 -0.40 0.82 -1.05 0.00 0.00 178.16 178.45 1p93 h ILE 694 N 0.00 1.28 0.44 -2.88 2.04 0.27 0.40 117.51 119.05 1p93 h ILE 694 Ca -0.16 -1.58 -0.02 0.00 1.00 0.00 0.00 64.86 64.10 1p93 h ILE 694 Cb 1.84 1.46 0.00 0.00 -0.74 0.00 0.00 36.82 39.39 1p93 h ILE 694 CO 0.09 0.52 -0.21 0.11 0.00 0.00 0.00 178.15 178.66 1p93 h LYS 695 N 0.70 -0.57 0.00 2.37 1.79 0.14 -2.47 116.57 118.53 1p93 h LYS 695 Ca 0.05 0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.56 1p93 h LYS 695 Cb 1.00 0.13 0.00 0.00 -1.58 0.00 0.00 32.23 31.78 1p93 h LYS 695 CO 0.10 -0.38 0.27 -1.91 -1.08 0.00 0.00 179.45 176.45 1p93 n GLU 696 N -4.15 0.04 -0.02 3.15 4.07 0.62 0.13 120.64 124.48 1p93 n GLU 696 Ca -0.07 0.42 -0.14 0.00 -0.06 0.00 0.00 57.16 57.31 1p93 n GLU 696 Cb 0.23 -1.91 -0.14 0.00 -0.06 0.00 0.00 31.44 29.56 1p93 n GLU 696 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 1p93 n LEU 697 N -1.65 1.56 0.16 4.31 7.94 0.14 -3.69 117.00 125.77 1p93 n LEU 697 Ca -0.00 0.31 -0.14 0.00 -1.11 0.00 0.00 56.01 55.06 1p93 n LEU 697 Cb 0.28 -0.33 -0.08 0.00 0.53 0.00 0.00 43.42 43.82 1p93 n LEU 697 CO 0.03 0.58 0.71 1.23 -1.11 0.00 0.00 177.39 178.83 1p93 h GLY 698 N 2.58 -0.39 -0.87 -3.96 0.00 0.15 -2.72 103.07 97.86 1p93 h GLY 698 Ca -0.36 0.14 0.16 0.00 0.00 0.00 0.00 47.33 47.28 1p93 h GLY 698 CO 0.08 -0.14 -0.25 0.28 0.00 0.00 0.00 176.54 176.51 1p93 n LYS 699 N -5.20 -0.11 -0.02 4.80 4.76 -0.86 -0.32 118.16 121.22 1p93 n LYS 699 Ca -0.10 1.35 -0.11 0.00 -2.87 0.00 0.00 58.31 56.58 1p93 n LYS 699 Cb 0.20 -2.01 -0.05 0.00 -1.84 0.00 0.00 35.03 31.34 1p93 n LYS 699 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1p93 h ALA 700 N 1.59 0.17 -0.04 7.82 0.00 -1.57 -1.77 119.26 125.46 1p93 h ALA 700 Ca 0.39 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.30 1p93 h ALA 700 Cb 0.60 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1p93 h ALA 700 CO -0.88 -0.35 -0.05 0.82 0.00 0.00 0.00 179.25 178.78 1p93 h ILE 701 N 0.18 0.85 -0.63 0.00 2.04 -0.38 -2.49 117.51 117.07 1p93 h ILE 701 Ca 0.05 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.97 1p93 h ILE 701 Cb -0.02 0.85 -0.08 0.00 -0.74 0.00 0.00 36.82 36.83 1p93 h ILE 701 CO -0.01 0.00 -0.37 0.52 0.00 0.00 0.00 178.15 178.28 1p93 n VAL 702 N -5.17 -0.43 -1.54 1.67 0.31 0.38 -3.60 118.33 109.95 1p93 n VAL 702 Ca -0.05 2.03 -0.33 0.00 -0.01 0.00 0.00 64.34 65.98 1p93 n VAL 702 Cb 0.10 -2.56 -0.06 0.00 -0.91 0.00 0.00 33.84 30.41 1p93 n VAL 702 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1p93 n LYS 703 N -4.43 0.80 0.00 5.55 5.02 -0.69 -4.69 118.16 119.71 1p93 n LYS 703 Ca 0.01 -0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.18 1p93 n LYS 703 Cb 0.16 -3.14 0.00 0.00 -0.02 0.00 0.00 35.03 32.03 1p93 n LYS 703 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 1p93 n ARG 704 N 8.81 0.00 0.00 1.97 1.85 -1.24 -4.91 116.66 123.14 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 0.45 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.86 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 -5.00 113.62 117.89 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 -2.77 6.43 2.88 -1.26 -4.58 113.62 114.33 1p93 n SER 709 Ca 0.00 0.00 -0.39 0.00 -1.33 0.00 0.00 58.87 57.15 1p93 n SER 709 Cb 0.00 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 63.51 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 2.74 -0.63 -1.46 -0.00 -1.26 -4.74 117.38 112.03 1p93 n GLN 710 Ca 0.00 -3.47 0.49 0.00 -0.00 0.00 0.00 57.00 54.03 1p93 n GLN 710 Cb 0.00 -2.27 0.80 0.00 -0.00 0.00 0.00 30.24 28.76 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 2.74 0.03 -0.90 2.61 4.21 -1.97 0.17 115.58 122.48 1p93 h ASN 711 Ca 0.58 0.02 0.19 0.00 1.21 0.00 0.00 56.30 58.29 1p93 h ASN 711 Cb 0.23 0.02 -0.11 0.00 -1.12 0.00 0.00 38.32 37.33 1p93 h ASN 711 CO 1.48 -0.03 0.45 -0.50 -1.29 0.00 0.00 177.43 177.54 1p93 h TRP 712 N 0.01 0.77 0.00 1.19 4.06 -1.98 0.44 115.95 120.44 1p93 h TRP 712 Ca 0.88 0.04 -0.00 0.00 2.06 0.00 0.00 58.89 61.87 1p93 h TRP 712 Cb 3.46 -0.20 0.00 0.00 -1.00 0.00 0.00 29.16 31.41 1p93 h TRP 712 CO -0.00 0.08 -0.00 0.37 -3.56 0.00 0.00 178.44 175.33 1p93 h GLN 713 N 0.54 -0.00 -0.09 0.49 4.15 -1.07 0.55 115.11 119.67 1p93 h GLN 713 Ca 0.53 0.00 0.04 0.00 0.77 0.00 0.00 58.65 59.99 1p93 h GLN 713 Cb 0.89 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 28.52 1p93 h GLN 713 CO -0.44 0.24 -0.34 -0.09 -1.93 0.00 0.00 178.83 176.27 1p93 h ARG 714 N -0.24 -0.42 -0.34 1.69 9.65 -1.38 0.95 114.38 124.29 1p93 h ARG 714 Ca -0.00 0.03 0.07 0.00 -1.10 0.00 0.00 59.98 58.98 1p93 h ARG 714 Cb 0.24 0.10 -0.09 0.00 -1.39 0.00 0.00 29.97 28.83 1p93 h ARG 714 CO 0.00 -0.28 -0.38 0.35 2.80 0.00 0.00 179.97 182.47 1p93 h PHE 715 N -0.44 -1.07 -0.33 2.20 3.57 0.04 -1.79 116.94 119.12 1p93 h PHE 715 Ca 0.08 0.06 0.07 0.00 3.53 0.00 0.00 57.97 61.71 1p93 h PHE 715 Cb 0.57 0.52 -0.07 0.00 2.79 0.00 0.00 35.95 39.75 1p93 h PHE 715 CO -0.40 -0.42 -0.17 -0.92 -2.23 0.00 0.00 178.31 174.17 1p93 h TYR 716 N -0.32 -0.42 -0.13 0.41 5.03 0.11 -2.71 116.97 118.94 1p93 h TYR 716 Ca 0.14 0.04 0.05 0.00 2.58 0.00 0.00 58.73 61.54 1p93 h TYR 716 Cb 0.57 0.24 -0.06 0.00 1.55 0.00 0.00 36.73 39.02 1p93 h TYR 716 CO -0.55 -0.25 -0.29 1.96 -1.32 0.00 0.00 178.16 177.71 1p93 h GLN 717 N -0.12 -0.35 -0.83 1.82 4.20 -0.25 -2.73 115.11 116.84 1p93 h GLN 717 Ca 0.17 0.02 0.06 0.00 0.06 0.00 0.00 58.65 58.97 1p93 h GLN 717 Cb 0.38 0.08 -0.05 0.00 0.30 0.00 0.00 27.48 28.19 1p93 h GLN 717 CO -0.41 -0.23 0.54 -0.07 -0.67 0.00 0.00 178.83 177.99 1p93 h LEU 718 N -0.37 0.81 -0.03 1.46 3.38 -1.15 -3.04 115.31 116.38 1p93 h LEU 718 Ca 0.10 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 1p93 h LEU 718 Cb 0.52 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 1p93 h LEU 718 CO -0.34 0.52 0.00 0.74 0.09 0.00 0.00 178.44 179.46 1p93 h THR 719 N 0.92 1.24 0.00 0.22 2.02 -1.22 -2.61 112.91 113.48 1p93 h THR 719 Ca 0.36 -0.73 0.00 0.00 0.77 0.00 0.00 66.41 66.80 1p93 h THR 719 Cb 0.21 1.69 0.00 0.00 -1.74 0.00 0.00 68.15 68.31 1p93 h THR 719 CO -0.13 0.20 0.00 1.17 0.37 0.00 0.00 175.52 177.13 1p93 n LYS 720 N -4.91 0.15 -0.08 6.66 3.00 -1.05 -0.88 118.16 121.03 1p93 n LYS 720 Ca -0.07 0.00 -0.10 0.00 -0.00 0.00 0.00 58.31 58.13 1p93 n LYS 720 Cb 0.17 -1.08 -0.10 0.00 0.00 0.00 0.00 35.03 34.02 1p93 n LYS 720 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 1p93 n LEU 721 N -0.58 1.65 0.20 3.14 7.94 -0.99 -3.98 117.00 124.38 1p93 n LEU 721 Ca 0.01 -0.06 0.08 0.00 -1.11 0.00 0.00 56.01 54.93 1p93 n LEU 721 Cb 0.00 -0.20 0.37 0.00 0.53 0.00 0.00 43.42 44.12 1p93 n LEU 721 CO 0.00 0.61 0.73 -0.07 -1.11 0.00 0.00 177.39 177.56 1p93 h LEU 722 N 0.00 0.00 -0.12 -1.96 3.38 -0.99 -1.33 115.31 114.29 1p93 h LEU 722 Ca -0.41 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.55 1p93 h LEU 722 Cb 1.76 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.51 1p93 h LEU 722 CO -0.03 0.30 -0.07 0.44 0.09 0.00 0.00 178.44 179.17 1p93 h ASP 723 N 0.00 0.00 0.98 -0.43 5.19 -1.73 -3.05 116.42 117.38 1p93 h ASP 723 Ca -0.00 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.35 1p93 h ASP 723 Cb 0.86 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.36 1p93 h ASP 723 CO 0.04 0.07 -0.26 -1.28 -3.12 0.00 0.00 179.24 174.69 1p93 h SER 724 N 0.00 0.00 0.71 6.45 0.87 -1.37 -3.04 113.55 117.17 1p93 h SER 724 Ca -0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 1p93 h SER 724 Cb 1.01 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.97 1p93 h SER 724 CO 0.01 0.26 -0.03 0.24 -0.53 0.00 0.00 176.83 176.78 1p93 h MET 725 N 0.00 0.00 -0.08 2.24 2.86 -1.40 -1.82 114.93 116.73 1p93 h MET 725 Ca -0.00 0.00 -0.22 0.00 -2.06 0.00 0.00 59.70 57.42 1p93 h MET 725 Cb 0.82 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.49 1p93 h MET 725 CO 0.03 0.03 -0.83 0.45 1.06 0.00 0.00 176.91 177.66 1p93 h HIS 726 N 0.00 0.82 0.07 -0.22 3.86 -1.71 0.18 115.15 118.15 1p93 h HIS 726 Ca -0.00 -0.39 -0.00 0.00 -1.16 0.00 0.00 60.37 58.82 1p93 h HIS 726 Cb 0.40 -0.12 0.00 0.00 1.06 0.00 0.00 27.41 28.75 1p93 h HIS 726 CO 0.00 1.19 -0.04 0.93 0.86 0.00 0.00 177.93 180.88 1p93 h GLU 727 N 0.38 -0.10 0.00 2.45 5.08 -1.63 -2.85 114.58 117.92 1p93 h GLU 727 Ca -0.06 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1p93 h GLU 727 Cb 1.44 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.71 1p93 h GLU 727 CO 0.16 0.44 0.00 0.28 -1.00 0.00 0.00 179.01 178.89 1p93 n VAL 728 N -4.85 0.00 -0.64 3.13 0.31 -0.72 -1.06 118.33 114.50 1p93 n VAL 728 Ca -0.08 1.21 0.49 0.00 -0.01 0.00 0.00 64.34 65.95 1p93 n VAL 728 Cb 0.29 -1.87 0.77 0.00 -0.91 0.00 0.00 33.84 32.12 1p93 n VAL 728 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1p93 n VAL 729 N -1.63 -0.05 0.14 2.52 0.31 0.61 0.46 118.33 120.69 1p93 n VAL 729 Ca 0.00 1.51 -0.13 0.00 -0.01 0.00 0.00 64.34 65.70 1p93 n VAL 729 Cb 0.00 -2.50 -0.07 0.00 -0.91 0.00 0.00 33.84 30.36 1p93 n VAL 729 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 1p93 h GLU 730 N 0.00 -0.34 -0.50 5.55 4.81 -0.84 -1.87 114.58 121.39 1p93 h GLU 730 Ca 0.90 0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 60.12 1p93 h GLU 730 Cb 3.47 0.08 -0.02 0.00 0.63 0.00 0.00 28.75 32.90 1p93 h GLU 730 CO -0.10 -0.23 0.20 -0.91 -0.73 0.00 0.00 179.01 177.23 1p93 h ASN 731 N -0.35 0.69 0.31 1.04 -0.26 0.31 -1.64 115.58 115.67 1p93 h ASN 731 Ca -0.01 -0.17 -0.01 0.00 -0.56 0.00 0.00 56.30 55.55 1p93 h ASN 731 Cb 0.31 -0.18 -0.00 0.00 -1.06 0.00 0.00 38.32 37.39 1p93 h ASN 731 CO -0.01 0.67 -0.06 -0.07 -1.06 0.00 0.00 177.43 176.91 1p93 h LEU 732 N 0.66 0.00 0.10 1.61 3.38 -1.35 -1.96 115.31 117.75 1p93 h LEU 732 Ca 0.17 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.77 1p93 h LEU 732 Cb 0.20 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 1p93 h LEU 732 CO -0.01 0.06 -2.02 0.18 0.09 0.00 0.00 178.44 176.73 1p93 n LEU 733 N -3.48 2.46 0.16 1.67 4.77 -0.72 -0.72 117.00 121.15 1p93 n LEU 733 Ca -0.02 0.19 0.13 0.00 -0.03 0.00 0.00 56.01 56.28 1p93 n LEU 733 Cb 0.18 -0.94 0.55 0.00 -2.33 0.00 0.00 43.42 40.88 1p93 n LEU 733 CO 0.27 0.81 0.89 0.78 -1.33 0.00 0.00 177.39 178.81 1p93 h ASN 734 N 0.06 0.00 0.00 -1.43 2.35 -1.15 0.59 115.58 115.99 1p93 h ASN 734 Ca -0.43 0.00 -0.32 0.00 -0.55 0.00 0.00 56.30 55.00 1p93 h ASN 734 Cb 2.02 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 40.33 1p93 h ASN 734 CO 0.07 0.00 -2.21 0.00 -1.65 0.00 0.00 177.43 173.64 1p93 n TYR 735 N -2.41 0.00 0.09 1.19 4.19 -0.75 -3.88 117.16 115.60 1p93 n TYR 735 Ca 0.01 0.00 -0.22 0.00 3.31 0.00 0.00 57.90 61.00 1p93 n TYR 735 Cb 0.23 -0.87 -0.13 0.00 0.49 0.00 0.00 39.34 39.06 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 0.24 0.22 0.26 0.00 3.57 -0.05 -2.88 116.94 118.30 1p93 h PHE 737 Ca -0.19 -0.07 -0.01 0.00 3.53 0.00 0.00 57.97 61.23 1p93 h PHE 737 Cb 1.92 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 40.61 1p93 h PHE 737 CO 0.12 0.64 -0.25 1.96 -2.23 0.00 0.00 178.31 178.55 1p93 h GLN 738 N 0.14 -0.49 -0.30 1.11 4.20 -1.67 -0.38 115.11 117.73 1p93 h GLN 738 Ca 0.01 0.03 0.09 0.00 0.06 0.00 0.00 58.65 58.84 1p93 h GLN 738 Cb 0.93 0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.81 1p93 h GLN 738 CO 0.07 -0.33 0.40 1.79 -0.67 0.00 0.00 178.83 180.10 1p93 h THR 739 N -0.51 0.30 0.18 -0.54 1.35 -1.58 0.28 112.91 112.38 1p93 h THR 739 Ca -0.03 0.00 -0.30 0.00 -0.55 0.00 0.00 66.41 65.52 1p93 h THR 739 Cb 0.44 0.67 0.02 0.00 -1.73 0.00 0.00 68.15 67.55 1p93 h THR 739 CO -0.02 0.00 -1.33 0.15 -0.25 0.00 0.00 175.52 174.06 1p93 h PHE 740 N 0.00 0.79 0.10 4.73 3.57 -1.24 -3.39 116.94 121.50 1p93 h PHE 740 Ca 0.14 -0.56 -0.00 0.00 3.53 0.00 0.00 57.97 61.08 1p93 h PHE 740 Cb 0.94 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.64 1p93 h PHE 740 CO 0.00 1.43 -0.05 -0.07 -2.23 0.00 0.00 178.31 177.39 1p93 h LEU 741 N 0.14 -0.11 -8.97 0.59 3.38 0.12 -3.43 115.31 107.04 1p93 h LEU 741 Ca -0.19 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.21 1p93 h LEU 741 Cb 2.03 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 42.78 1p93 h LEU 741 CO 0.24 -0.03 1.19 -0.62 0.09 0.00 0.00 178.44 179.30 1p93 s ASP 742 N -2.88 6.18 0.00 -0.43 2.15 -0.07 -4.84 116.67 116.79 1p93 s ASP 742 Ca -0.02 1.48 0.29 0.00 0.43 0.00 0.00 52.55 54.73 1p93 s ASP 742 Cb 0.00 -2.53 1.17 0.00 -0.30 0.00 0.00 42.92 41.26 1p93 s ASP 742 CO 0.06 -1.44 1.86 1.17 -0.17 0.00 0.00 175.17 176.65 1p93 n LYS 743 N 7.99 0.14 0.11 4.34 4.81 -1.26 -2.70 118.16 131.59 1p93 n LYS 743 Ca 0.20 -0.02 0.09 0.00 -0.87 0.00 0.00 58.31 57.71 1p93 n LYS 743 Cb 0.46 -1.50 0.43 0.00 0.02 0.00 0.00 35.03 34.43 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 -1.41 1.13 0.10 3.15 -1.04 -1.26 -2.05 114.28 112.90 1p93 n THR 744 Ca 0.09 0.47 -0.03 0.00 -2.04 0.00 0.00 64.05 62.54 1p93 n THR 744 Cb 0.32 -1.42 -0.00 0.00 -1.82 0.00 0.00 70.33 67.40 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 0.00 0.00 -2.82 2.86 -1.86 -3.47 114.93 109.64 1p93 h MET 745 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1p93 h MET 745 Cb 0.15 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.81 1p93 h MET 745 CO 0.00 0.77 0.00 0.43 1.06 0.00 0.00 176.91 179.17 1p93 n SER 746 N -3.41 -3.24 -4.76 1.22 7.64 -0.87 -4.93 113.62 105.27 1p93 n SER 746 Ca 0.00 0.00 -0.38 0.00 1.01 0.00 0.00 58.87 59.50 1p93 n SER 746 Cb 0.80 -1.48 -0.06 0.00 -1.01 0.00 0.00 64.21 62.46 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 -1.89 5.05 0.22 0.44 1.01 -1.26 -4.95 121.20 119.82 1p93 s ILE 747 Ca 0.00 1.04 0.10 0.00 0.00 0.00 0.00 60.65 61.79 1p93 s ILE 747 Cb 0.00 -3.84 -0.04 0.00 0.01 0.00 0.00 42.46 38.59 1p93 s ILE 747 CO 0.00 0.41 -0.11 -0.70 0.00 0.00 0.00 174.94 174.54 1p93 s GLU 748 N -0.01 1.97 0.06 2.79 2.56 -1.26 -4.90 118.70 119.90 1p93 s GLU 748 Ca 0.27 -1.43 0.07 0.00 0.00 0.00 0.00 54.97 53.89 1p93 s GLU 748 Cb -0.17 -2.05 -0.03 0.00 2.00 0.00 0.00 34.13 33.89 1p93 s GLU 748 CO 0.13 0.40 -0.19 -0.06 -0.56 0.00 0.00 175.26 174.98 1p93 s PHE 749 N -1.98 1.66 0.65 5.30 0.40 -1.26 -4.63 117.98 118.12 1p93 s PHE 749 Ca 0.27 -0.38 -0.12 0.00 -0.60 0.00 0.00 56.93 56.09 1p93 s PHE 749 Cb -0.07 -0.97 -0.01 0.00 0.51 0.00 0.00 43.02 42.48 1p93 s PHE 749 CO 0.15 0.11 1.05 -1.25 0.70 0.00 0.00 175.22 175.98 1p93 s PRO 750 N -1.38 3.18 0.57 0.24 0.04 -1.26 -4.80 135.00 131.58 1p93 s PRO 750 Ca 0.06 0.97 0.26 0.00 0.04 0.00 0.00 61.00 62.33 1p93 s PRO 750 Cb -0.09 -2.02 1.56 0.00 0.04 0.00 0.00 34.50 33.99 1p93 s PRO 750 CO 0.02 -0.91 2.11 0.93 0.04 0.00 0.00 177.00 179.19 1p93 h GLU 751 N -0.33 0.00 0.18 4.56 5.08 -1.98 -1.34 114.58 120.75 1p93 h GLU 751 Ca -0.45 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 57.91 1p93 h GLU 751 Cb 1.21 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.44 1p93 h GLU 751 CO 0.58 0.00 -0.31 1.98 -1.00 0.00 0.00 179.01 180.26 1p93 h MET 752 N 0.00 -0.50 0.00 2.33 4.05 -1.91 -1.32 114.93 117.58 1p93 h MET 752 Ca 0.09 0.03 -0.02 0.00 -0.28 0.00 0.00 59.70 59.52 1p93 h MET 752 Cb 0.43 0.11 -0.00 0.00 -0.80 0.00 0.00 31.60 31.34 1p93 h MET 752 CO -0.00 -0.33 -0.09 -0.07 0.23 0.00 0.00 176.91 176.65 1p93 h LEU 753 N -0.52 0.00 0.57 3.39 3.38 -1.81 -2.42 115.31 117.89 1p93 h LEU 753 Ca -0.02 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1p93 h LEU 753 Cb 0.48 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1p93 h LEU 753 CO -0.10 0.09 -0.39 0.00 0.09 0.00 0.00 178.44 178.12 1p93 h ALA 754 N 1.91 -1.16 -0.01 1.53 0.00 -0.31 -2.14 119.26 119.07 1p93 h ALA 754 Ca -0.00 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 1p93 h ALA 754 Cb 0.40 0.54 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1p93 h ALA 754 CO 0.01 -1.14 -0.29 1.49 0.00 0.00 0.00 179.25 179.32 1p93 h GLU 755 N -0.91 0.03 -0.10 0.00 4.57 -1.14 -2.09 114.58 114.94 1p93 h GLU 755 Ca -0.08 -0.01 -0.19 0.00 -1.18 0.00 0.00 59.36 57.90 1p93 h GLU 755 Cb 0.75 -0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.33 1p93 h GLU 755 CO 0.05 0.31 -0.74 0.82 -1.18 0.00 0.00 179.01 178.27 1p93 h ILE 756 N 0.02 1.35 0.02 2.32 2.04 -1.39 -2.78 117.51 119.09 1p93 h ILE 756 Ca 0.00 -2.08 -0.00 0.00 1.00 0.00 0.00 64.86 63.78 1p93 h ILE 756 Cb 0.52 2.06 0.00 0.00 -0.74 0.00 0.00 36.82 38.67 1p93 h ILE 756 CO 0.04 0.64 -0.01 0.40 0.00 0.00 0.00 178.15 179.22 1p93 h ILE 757 N 0.36 0.00 -0.35 -0.67 2.04 -1.38 -2.60 117.51 114.91 1p93 h ILE 757 Ca -0.04 -0.50 0.05 0.00 1.00 0.00 0.00 64.86 65.38 1p93 h ILE 757 Cb 1.33 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 37.35 1p93 h ILE 757 CO 0.13 0.00 -0.15 0.41 0.00 0.00 0.00 178.15 178.55 1p93 n THR 758 N -3.45 -0.19 0.00 -0.27 -1.04 -0.79 -0.33 114.28 108.22 1p93 n THR 758 Ca -0.00 0.83 0.00 0.00 -2.04 0.00 0.00 64.05 62.84 1p93 n THR 758 Cb 0.01 -1.09 0.00 0.00 -1.82 0.00 0.00 70.33 67.43 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 -4.51 0.00 0.00 8.00 2.85 -1.05 -4.04 115.26 116.51 1p93 n ASN 759 Ca 0.03 0.21 0.00 0.00 -0.11 0.00 0.00 54.58 54.72 1p93 n ASN 759 Cb 0.14 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.16 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 -0.24 0.00 -0.14 1.20 1.13 0.56 -2.83 117.38 117.06 1p93 n GLN 760 Ca 0.00 0.00 0.08 0.00 -1.94 0.00 0.00 57.00 55.14 1p93 n GLN 760 Cb 0.00 0.00 0.16 0.00 0.11 0.00 0.00 30.24 30.51 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 -0.17 0.36 5.09 5.41 -1.02 -1.33 119.36 127.70 1p93 n ILE 761 Ca 0.00 0.89 -0.15 0.00 1.00 0.00 0.00 62.75 64.49 1p93 n ILE 761 Cb 0.00 -1.35 -0.07 0.00 -0.71 0.00 0.00 39.64 37.51 1p93 n ILE 761 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 176.55 175.90 1p93 h PRO 762 N 0.00 -0.91 0.14 0.38 0.11 -1.66 -2.78 132.00 127.27 1p93 h PRO 762 Ca 0.28 0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.46 1p93 h PRO 762 Cb 0.65 0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.94 1p93 h PRO 762 CO -0.37 -0.60 -0.32 1.57 -0.21 0.00 0.00 178.00 178.08 1p93 h LYS 763 N -1.22 -0.48 0.00 1.05 2.10 -1.12 -2.38 116.57 114.51 1p93 h LYS 763 Ca -0.10 0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.59 1p93 h LYS 763 Cb 0.74 0.11 0.00 0.00 -0.90 0.00 0.00 32.23 32.18 1p93 h LYS 763 CO 0.16 -0.32 0.34 0.10 -2.00 0.00 0.00 179.45 177.73 1p93 h TYR 764 N -0.50 0.00 0.00 0.07 -0.00 -1.51 -1.07 116.97 113.96 1p93 h TYR 764 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.72 1p93 h TYR 764 Cb 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.21 1p93 h TYR 764 CO -0.33 0.00 0.00 0.43 -0.00 0.00 0.00 178.16 178.26 1p93 n SER 765 N -2.05 0.76 -1.55 0.10 7.64 -0.90 -2.08 113.62 115.54 1p93 n SER 765 Ca -0.01 -1.60 -0.08 0.00 1.01 0.00 0.00 58.87 58.18 1p93 n SER 765 Cb 0.36 -0.38 0.09 0.00 -1.01 0.00 0.00 64.21 63.27 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 0.06 3.10 -1.98 6.43 4.13 -0.41 -5.00 115.26 121.59 1p93 n ASN 766 Ca 0.00 -3.49 -0.05 0.00 1.68 0.00 0.00 54.58 52.72 1p93 n ASN 766 Cb 0.19 -0.42 -0.01 0.00 -1.54 0.00 0.00 39.78 38.00 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 -0.75 -0.28 0.11 7.41 0.00 -0.88 -4.74 105.19 106.06 1p93 n GLY 767 Ca 0.28 0.01 0.15 0.00 0.00 0.00 0.00 46.02 46.45 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 -0.91 0.35 -4.68 1.61 6.94 -1.26 -4.86 115.26 112.45 1p93 n ASN 768 Ca 0.01 -1.17 -0.35 0.00 -0.02 0.00 0.00 54.58 53.05 1p93 n ASN 768 Cb 0.28 -0.00 -0.09 0.00 -2.36 0.00 0.00 39.78 37.61 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 -1.99 5.15 -0.82 1.53 1.09 -1.16 -4.11 121.20 120.89 1p93 s ILE 769 Ca 0.43 0.10 -0.14 0.00 -1.10 0.00 0.00 60.65 59.94 1p93 s ILE 769 Cb 0.21 -3.35 0.22 0.00 -1.06 0.00 0.00 42.46 38.47 1p93 s ILE 769 CO 0.34 0.44 0.76 -0.75 -0.10 0.00 0.00 174.94 175.63 1p93 s LYS 770 N 0.45 3.58 0.18 2.79 2.20 0.33 -4.89 119.74 124.38 1p93 s LYS 770 Ca 0.06 -2.44 -0.31 0.00 -0.36 0.00 0.00 55.97 52.92 1p93 s LYS 770 Cb -0.12 -4.42 -0.10 0.00 -1.51 0.00 0.00 37.83 31.68 1p93 s LYS 770 CO -0.00 -1.29 1.52 0.15 -0.36 0.00 0.00 175.35 175.37 1p93 s LYS 771 N 0.20 4.23 1.02 4.03 1.02 -1.26 -0.54 119.74 128.44 1p93 s LYS 771 Ca 0.17 2.33 -0.16 0.00 0.02 0.00 0.00 55.97 58.33 1p93 s LYS 771 Cb -0.11 -3.15 0.21 0.00 -0.52 0.00 0.00 37.83 34.27 1p93 s LYS 771 CO -0.09 -0.55 1.24 -0.51 -0.92 0.00 0.00 175.35 174.53 1p93 s LEU 772 N 0.76 2.09 0.33 3.17 1.43 0.79 -4.89 118.68 122.36 1p93 s LEU 772 Ca 0.67 0.45 -0.07 0.00 -1.03 0.00 0.00 54.13 54.14 1p93 s LEU 772 Cb -0.43 -2.45 0.01 0.00 0.03 0.00 0.00 46.19 43.36 1p93 s LEU 772 CO 0.34 -3.07 0.54 -0.76 0.23 0.00 0.00 176.35 173.63 1p93 s LEU 773 N -6.18 0.67 0.00 1.79 1.43 -1.26 -4.93 118.68 110.20 1p93 s LEU 773 Ca 0.72 -1.30 0.00 0.00 -1.03 0.00 0.00 54.13 52.51 1p93 s LEU 773 Cb -0.07 1.80 0.00 0.00 0.03 0.00 0.00 46.19 47.95 1p93 s LEU 773 CO 0.54 -1.34 0.00 0.49 0.23 0.00 0.00 176.35 176.27 1p93 n PHE 774 N -0.52 0.00 -3.67 0.29 3.72 -1.26 -5.07 117.46 110.95 1p93 n PHE 774 Ca -0.01 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.30 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 0.00 -0.79 -1.06 1.38 3.76 -1.26 -4.99 115.29 112.33 1p93 s HIS 775 Ca 0.00 1.61 0.08 0.00 -0.15 0.00 0.00 55.06 56.60 1p93 s HIS 775 Cb 0.00 0.40 0.07 0.00 1.11 0.00 0.00 32.58 34.16 1p93 s HIS 775 CO 0.00 -0.42 0.77 1.04 -0.85 0.00 0.00 174.74 175.28