#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k23 n PRO 526 N 0.00 1.29 0.27 1.96 -0.05 -1.26 -2.80 135.00 134.42 3k23 n PRO 526 Ca 0.00 -0.44 0.17 0.00 -0.05 0.00 0.00 63.50 63.17 3k23 n PRO 526 Cb 0.00 -1.29 0.65 0.00 -0.05 0.00 0.00 33.50 32.80 3k23 n PRO 526 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 175.50 177.41 3k23 h GLN 527 N 0.86 0.00 -0.41 0.54 4.20 -2.09 -2.43 115.11 115.78 3k23 h GLN 527 Ca 0.00 0.00 0.08 0.00 0.06 0.00 0.00 58.65 58.79 3k23 h GLN 527 Cb 0.19 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 27.90 3k23 h GLN 527 CO 0.00 0.01 -0.01 -0.07 -0.67 0.00 0.00 178.83 178.09 3k23 h LEU 528 N 0.00 -0.18 -8.73 1.46 3.38 -2.04 -3.41 115.31 105.79 3k23 h LEU 528 Ca -0.00 0.10 -0.52 0.00 0.09 0.00 0.00 57.88 57.55 3k23 h LEU 528 Cb 0.55 0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 3k23 h LEU 528 CO 0.00 -0.05 1.48 -0.89 0.09 0.00 0.00 178.44 179.07 3k23 s THR 529 N -6.18 3.15 0.21 0.22 2.01 -0.92 -4.92 115.64 109.22 3k23 s THR 529 Ca -0.13 0.13 -0.30 0.00 0.31 0.00 0.00 61.69 61.69 3k23 s THR 529 Cb 0.14 -3.30 -0.08 0.00 0.01 0.00 0.00 72.50 69.27 3k23 s THR 529 CO 0.71 -0.25 1.04 -2.16 -0.69 0.00 0.00 174.62 173.27 3k23 s PRO 530 N 7.10 4.69 0.86 4.92 0.04 -1.26 -5.04 135.00 146.31 3k23 s PRO 530 Ca 0.90 1.65 -0.12 0.00 0.04 0.00 0.00 61.00 63.46 3k23 s PRO 530 Cb -0.21 -3.27 0.14 0.00 0.04 0.00 0.00 34.50 31.20 3k23 s PRO 530 CO 0.29 0.25 1.20 0.95 0.04 0.00 0.00 177.00 179.73 3k23 s THR 531 N -0.71 2.06 0.32 1.26 -4.23 -1.26 -4.97 115.64 108.10 3k23 s THR 531 Ca 0.45 -0.11 0.09 0.00 -1.18 0.00 0.00 61.69 60.94 3k23 s THR 531 Cb -0.28 -2.95 0.06 0.00 1.34 0.00 0.00 72.50 70.67 3k23 s THR 531 CO 0.35 0.00 1.74 0.25 -0.54 0.00 0.00 174.62 176.43 3k23 h LEU 532 N -1.22 0.14 0.01 4.79 5.85 -2.00 -2.88 115.31 120.00 3k23 h LEU 532 Ca -0.44 -0.06 -0.14 0.00 0.84 0.00 0.00 57.88 58.08 3k23 h LEU 532 Cb 1.27 -0.04 0.01 0.00 0.37 0.00 0.00 40.66 42.28 3k23 h LEU 532 CO 0.48 0.53 -0.56 1.62 -0.34 0.00 0.00 178.44 180.18 3k23 h VAL 533 N 0.12 1.45 -0.16 1.05 3.04 -1.98 -1.73 116.25 118.05 3k23 h VAL 533 Ca 0.01 -2.09 0.05 0.00 -1.01 0.00 0.00 66.70 63.66 3k23 h VAL 533 Cb 0.77 2.66 -0.01 0.00 -2.01 0.00 0.00 31.29 32.70 3k23 h VAL 533 CO 0.06 0.60 0.17 0.77 -1.01 0.00 0.00 177.57 178.16 3k23 h SER 534 N -0.18 0.00 0.19 3.17 4.64 -1.94 0.31 113.55 119.74 3k23 h SER 534 Ca -0.07 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.24 3k23 h SER 534 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 3k23 h SER 534 CO 0.11 0.00 -0.09 0.25 -0.87 0.00 0.00 176.83 176.23 3k23 h LEU 535 N 0.00 -0.22 -1.24 5.97 6.46 -1.34 -3.06 115.31 121.89 3k23 h LEU 535 Ca 0.08 -0.30 0.23 0.00 -0.12 0.00 0.00 57.88 57.77 3k23 h LEU 535 Cb 0.41 0.06 -0.10 0.00 -0.73 0.00 0.00 40.66 40.30 3k23 h LEU 535 CO -0.00 0.32 0.63 -0.07 -0.62 0.00 0.00 178.44 178.70 3k23 h LEU 536 N -0.90 0.57 -1.12 2.25 3.38 -0.34 -0.33 115.31 118.82 3k23 h LEU 536 Ca -0.03 0.09 0.06 0.00 0.09 0.00 0.00 57.88 58.09 3k23 h LEU 536 Cb 0.50 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.18 3k23 h LEU 536 CO 0.04 0.16 0.60 -0.08 0.09 0.00 0.00 178.44 179.25 3k23 h GLU 537 N 0.53 1.05 -0.02 1.13 4.81 -0.40 -3.12 114.58 118.56 3k23 h GLU 537 Ca 0.57 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.74 3k23 h GLU 537 Cb 1.23 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 30.37 3k23 h GLU 537 CO -0.32 0.70 -0.17 1.33 -0.73 0.00 0.00 179.01 179.81 3k23 n VAL 538 N -4.48 0.00 0.48 0.32 0.24 -0.15 -3.76 118.33 110.98 3k23 n VAL 538 Ca 0.13 -0.27 0.07 0.00 -2.04 0.00 0.00 64.34 62.23 3k23 n VAL 538 Cb 0.17 0.83 0.07 0.00 -1.47 0.00 0.00 33.84 33.44 3k23 n VAL 538 CO 0.00 0.00 0.00 2.30 -2.14 0.00 0.00 176.83 176.99 3k23 n ILE 539 N 0.14 0.09 -1.72 1.34 -5.35 -1.13 -5.00 119.36 107.73 3k23 n ILE 539 Ca 0.14 -0.55 -0.42 0.00 -0.27 0.00 0.00 62.75 61.65 3k23 n ILE 539 Cb 0.43 1.20 -0.03 0.00 -1.74 0.00 0.00 39.64 39.50 3k23 n ILE 539 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 3k23 n GLU 540 N 0.74 2.78 -1.30 6.28 4.07 -1.20 -4.72 120.64 127.29 3k23 n GLU 540 Ca 0.08 1.01 -0.35 0.00 -0.06 0.00 0.00 57.16 57.84 3k23 n GLU 540 Cb 0.34 -2.86 0.10 0.00 -0.06 0.00 0.00 31.44 28.96 3k23 n GLU 540 CO 0.00 0.00 0.00 -2.30 -0.06 0.00 0.00 177.13 174.77 3k23 n PRO 541 N 4.17 0.45 -2.10 5.31 -0.02 -1.26 -4.97 135.00 136.58 3k23 n PRO 541 Ca 0.16 0.21 -0.32 0.00 -2.02 0.00 0.00 63.50 61.54 3k23 n PRO 541 Cb 0.35 -2.32 -0.00 0.00 -0.02 0.00 0.00 33.50 31.52 3k23 n PRO 541 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3k23 s GLU 542 N -3.60 3.51 0.41 -0.52 2.56 -1.26 -4.99 118.70 114.81 3k23 s GLU 542 Ca 0.74 1.07 -0.26 0.00 0.00 0.00 0.00 54.97 56.51 3k23 s GLU 542 Cb -0.33 -2.07 -0.09 0.00 2.00 0.00 0.00 34.13 33.65 3k23 s GLU 542 CO 0.50 -0.64 1.39 0.08 -0.56 0.00 0.00 175.26 176.02 3k23 s VAL 543 N -2.62 2.30 0.21 3.70 1.01 -1.26 -5.03 120.40 118.71 3k23 s VAL 543 Ca 0.61 0.28 0.11 0.00 0.00 0.00 0.00 61.98 62.98 3k23 s VAL 543 Cb -0.13 -3.17 -0.04 0.00 0.00 0.00 0.00 36.38 33.03 3k23 s VAL 543 CO 0.38 0.05 -0.22 -0.76 0.00 0.00 0.00 175.10 174.55 3k23 s LEU 544 N -2.44 2.51 -0.06 3.92 1.43 -1.26 -5.13 118.68 117.65 3k23 s LEU 544 Ca 0.57 -0.87 0.05 0.00 -1.03 0.00 0.00 54.13 52.85 3k23 s LEU 544 Cb -0.42 -1.20 -0.01 0.00 0.03 0.00 0.00 46.19 44.59 3k23 s LEU 544 CO 0.55 0.11 -0.21 -0.31 0.23 0.00 0.00 176.35 176.71 3k23 s TYR 545 N -1.81 2.11 0.57 0.29 1.51 -1.26 -4.61 117.35 114.16 3k23 s TYR 545 Ca 0.23 -0.66 0.37 0.00 -1.01 0.00 0.00 57.07 56.00 3k23 s TYR 545 Cb -0.08 -1.41 2.04 0.00 -0.11 0.00 0.00 41.96 42.41 3k23 s TYR 545 CO 0.11 -0.22 2.27 0.00 -1.11 0.00 0.00 175.55 176.60 3k23 h ALA 546 N 6.25 1.22 -4.86 3.71 0.00 -1.95 -3.47 119.26 120.16 3k23 h ALA 546 Ca -0.31 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3k23 h ALA 546 Cb 1.18 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3k23 h ALA 546 CO 0.47 0.02 -0.25 0.41 0.00 0.00 0.00 179.25 179.91 3k23 n GLY 547 N -1.04 -1.14 3.15 0.00 0.00 -1.26 -4.95 105.19 99.95 3k23 n GLY 547 Ca -0.03 0.74 0.05 0.00 0.00 0.00 0.00 46.02 46.79 3k23 n GLY 547 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3k23 s TYR 548 N -2.57 -0.76 -0.06 1.61 5.04 -1.26 -5.13 117.35 114.22 3k23 s TYR 548 Ca 0.12 0.70 -0.10 0.00 -2.44 0.00 0.00 57.07 55.35 3k23 s TYR 548 Cb -0.03 0.23 -0.04 0.00 0.35 0.00 0.00 41.96 42.47 3k23 s TYR 548 CO 0.61 -0.42 -0.20 -3.47 -1.34 0.00 0.00 175.55 170.73 3k23 n ASP 549 N 5.39 1.58 -0.07 4.32 2.03 -1.26 -4.65 116.55 123.89 3k23 n ASP 549 Ca -0.02 0.25 0.00 0.00 0.52 0.00 0.00 54.79 55.54 3k23 n ASP 549 Cb 0.54 -0.57 0.00 0.00 -0.72 0.00 0.00 41.12 40.37 3k23 n ASP 549 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 3k23 n SER 551 N -4.04 0.00 0.00 1.67 3.41 -1.26 -5.06 113.62 108.34 3k23 n SER 551 Ca -0.09 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.52 3k23 n SER 551 Cb 0.31 -0.22 0.00 0.00 -0.26 0.00 0.00 64.21 64.04 3k23 n SER 551 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3k23 n VAL 552 N -0.37 0.00 -1.58 -3.33 0.31 -1.26 -5.16 118.33 106.95 3k23 n VAL 552 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 63.92 3k23 n VAL 552 Cb 0.03 0.00 0.01 0.00 -0.91 0.00 0.00 33.84 32.97 3k23 n VAL 552 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 3k23 n PRO 553 N -0.32 1.16 -3.27 5.55 -0.02 -1.26 -4.90 135.00 131.95 3k23 n PRO 553 Ca 0.00 0.42 -0.45 0.00 -2.02 0.00 0.00 63.50 61.45 3k23 n PRO 553 Cb 0.00 -1.93 -0.01 0.00 -0.02 0.00 0.00 33.50 31.54 3k23 n PRO 553 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3k23 s ASP 554 N -0.81 7.16 0.23 2.55 1.01 -1.26 -5.01 116.67 120.54 3k23 s ASP 554 Ca 0.64 -3.28 0.04 0.00 0.71 0.00 0.00 52.55 50.66 3k23 s ASP 554 Cb -0.56 -2.24 -0.03 0.00 1.01 0.00 0.00 42.92 41.09 3k23 s ASP 554 CO 0.56 -0.44 0.36 -0.94 0.21 0.00 0.00 175.17 174.93 3k23 s SER 555 N 1.78 6.32 0.09 0.27 1.04 -1.26 -5.03 113.70 116.92 3k23 s SER 555 Ca 0.30 0.13 -0.33 0.00 0.48 0.00 0.00 55.95 56.53 3k23 s SER 555 Cb -0.09 -1.89 -0.15 0.00 0.10 0.00 0.00 66.02 64.00 3k23 s SER 555 CO -0.07 -0.06 1.59 0.00 0.98 0.00 0.00 173.24 175.67 3k23 h THR 556 N 1.25 0.13 -0.41 2.02 1.03 -1.99 -2.91 112.91 112.03 3k23 h THR 556 Ca -0.51 0.00 0.09 0.00 -0.01 0.00 0.00 66.41 65.98 3k23 h THR 556 Cb 1.22 0.13 -0.09 0.00 -1.07 0.00 0.00 68.15 68.34 3k23 h THR 556 CO 0.63 0.00 -0.22 -0.25 -0.01 0.00 0.00 175.52 175.67 3k23 h TRP 557 N -0.86 -0.56 -0.08 0.00 7.01 -1.95 -0.33 115.95 119.17 3k23 h TRP 557 Ca -0.04 0.05 -0.20 0.00 2.11 0.00 0.00 58.89 60.81 3k23 h TRP 557 Cb 0.77 0.31 -0.00 0.00 -2.10 0.00 0.00 29.16 28.14 3k23 h TRP 557 CO -0.25 -0.30 -0.78 -0.09 -2.79 0.00 0.00 178.44 174.23 3k23 h ARG 558 N -0.14 0.49 -0.20 2.65 2.43 -1.96 0.20 114.38 117.83 3k23 h ARG 558 Ca 0.20 -0.42 -0.01 0.00 -0.81 0.00 0.00 59.98 58.93 3k23 h ARG 558 Cb 0.45 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.09 3k23 h ARG 558 CO -0.50 1.06 0.07 0.82 -1.51 0.00 0.00 179.97 179.91 3k23 h ILE 559 N 0.32 1.17 -0.22 1.20 2.04 -1.27 0.57 117.51 121.33 3k23 h ILE 559 Ca -0.04 -0.53 -0.01 0.00 1.00 0.00 0.00 64.86 65.28 3k23 h ILE 559 Cb 1.38 1.15 -0.01 0.00 -0.74 0.00 0.00 36.82 38.59 3k23 h ILE 559 CO 0.14 0.17 0.11 0.24 0.00 0.00 0.00 178.15 178.81 3k23 h MET 560 N 0.17 0.31 -0.19 2.37 2.86 -1.02 -0.14 114.93 119.29 3k23 h MET 560 Ca 0.07 -0.04 0.02 0.00 -2.06 0.00 0.00 59.70 57.69 3k23 h MET 560 Cb 0.20 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.78 3k23 h MET 560 CO -0.00 0.31 0.04 1.15 1.06 0.00 0.00 176.91 179.47 3k23 h THR 561 N 0.23 0.93 -0.19 2.22 2.02 -0.44 0.26 112.91 117.94 3k23 h THR 561 Ca 0.08 -0.04 0.03 0.00 0.77 0.00 0.00 66.41 67.24 3k23 h THR 561 Cb 0.10 0.80 -0.03 0.00 -1.74 0.00 0.00 68.15 67.28 3k23 h THR 561 CO -0.01 0.02 0.03 0.71 0.37 0.00 0.00 175.52 176.64 3k23 h THR 562 N 0.12 0.91 -0.92 3.16 1.35 0.25 1.00 112.91 118.77 3k23 h THR 562 Ca 0.08 -0.03 0.09 0.00 -0.55 0.00 0.00 66.41 65.99 3k23 h THR 562 Cb 0.07 0.80 -0.07 0.00 -1.73 0.00 0.00 68.15 67.22 3k23 h THR 562 CO -0.10 0.02 0.57 -0.07 -0.25 0.00 0.00 175.52 175.68 3k23 h LEU 563 N 0.10 0.87 0.17 3.87 3.38 -0.51 0.52 115.31 123.71 3k23 h LEU 563 Ca 0.09 0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.09 3k23 h LEU 563 Cb 0.09 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 3k23 h LEU 563 CO -0.12 0.52 -0.21 0.78 0.09 0.00 0.00 178.44 179.50 3k23 h ASN 564 N 0.98 -0.56 -0.76 -0.43 2.35 0.23 0.21 115.58 117.61 3k23 h ASN 564 Ca 0.43 0.06 0.01 0.00 -0.55 0.00 0.00 56.30 56.25 3k23 h ASN 564 Cb 0.30 0.20 -0.04 0.00 0.05 0.00 0.00 38.32 38.83 3k23 h ASN 564 CO -0.21 -0.30 0.50 0.24 -1.65 0.00 0.00 177.43 176.01 3k23 h MET 565 N -0.42 0.98 -0.21 0.81 2.86 0.34 -1.54 114.93 117.75 3k23 h MET 565 Ca 0.01 -0.06 -0.14 0.00 -2.06 0.00 0.00 59.70 57.46 3k23 h MET 565 Cb 0.41 -0.22 0.00 0.00 0.06 0.00 0.00 31.60 31.85 3k23 h MET 565 CO -0.08 0.65 -0.40 1.25 1.06 0.00 0.00 176.91 179.39 3k23 h LEU 566 N 1.01 0.71 -2.04 1.22 5.85 0.23 -2.89 115.31 119.39 3k23 h LEU 566 Ca 0.28 -0.54 0.03 0.00 0.84 0.00 0.00 57.88 58.48 3k23 h LEU 566 Cb -0.09 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 40.74 3k23 h LEU 566 CO -0.07 1.12 0.07 1.23 -0.34 0.00 0.00 178.44 180.45 3k23 h GLY 567 N 0.32 0.00 0.79 3.75 0.00 -0.11 -2.28 103.07 105.55 3k23 h GLY 567 Ca 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.33 3k23 h GLY 567 CO 0.09 0.00 -0.12 -1.33 0.00 0.00 0.00 176.54 175.18 3k23 h GLY 568 N 0.00 -0.34 1.63 4.60 0.00 -1.09 -1.66 103.07 106.22 3k23 h GLY 568 Ca 0.04 0.13 0.04 0.00 0.00 0.00 0.00 47.33 47.54 3k23 h GLY 568 CO -0.00 -0.12 0.16 3.21 0.00 0.00 0.00 176.54 179.79 3k23 h ARG 569 N -0.53 0.14 0.20 4.80 3.08 -1.33 0.89 114.38 121.63 3k23 h ARG 569 Ca -0.03 -0.01 -0.33 0.00 0.07 0.00 0.00 59.98 59.68 3k23 h ARG 569 Cb 0.40 -0.03 0.02 0.00 0.08 0.00 0.00 29.97 30.43 3k23 h ARG 569 CO 0.05 0.09 -1.53 1.96 -1.07 0.00 0.00 179.97 179.47 3k23 h GLN 570 N 0.14 0.42 -0.69 0.04 4.20 -1.36 0.50 115.11 118.37 3k23 h GLN 570 Ca 0.10 -0.72 0.06 0.00 0.06 0.00 0.00 58.65 58.15 3k23 h GLN 570 Cb 0.23 0.27 -0.06 0.00 0.30 0.00 0.00 27.48 28.22 3k23 h GLN 570 CO -0.01 1.33 0.39 0.28 -0.67 0.00 0.00 178.83 180.14 3k23 h VAL 571 N 0.12 0.97 -0.44 -0.54 2.07 -0.96 0.96 116.25 118.43 3k23 h VAL 571 Ca -0.26 -0.24 -0.02 0.00 0.82 0.00 0.00 66.70 67.00 3k23 h VAL 571 Cb 2.10 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 32.05 3k23 h VAL 571 CO 0.22 0.13 0.21 0.40 0.02 0.00 0.00 177.57 178.55 3k23 h ILE 572 N 0.71 1.18 0.27 4.57 2.04 -0.58 -1.91 117.51 123.79 3k23 h ILE 572 Ca 0.31 -0.51 0.01 0.00 1.00 0.00 0.00 64.86 65.66 3k23 h ILE 572 Cb 0.19 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 36.95 3k23 h ILE 572 CO -0.18 0.20 -0.41 0.00 0.00 0.00 0.00 178.15 177.75 3k23 h ALA 573 N 1.06 -0.82 -1.11 1.87 0.00 0.62 -2.73 119.26 118.15 3k23 h ALA 573 Ca 0.15 -0.11 0.38 0.00 0.00 0.00 0.00 54.91 55.33 3k23 h ALA 573 Cb 0.12 0.64 -0.15 0.00 0.00 0.00 0.00 17.79 18.40 3k23 h ALA 573 CO -0.02 -1.01 0.66 0.00 0.00 0.00 0.00 179.25 178.88 3k23 h ALA 574 N -0.33 2.28 0.06 0.00 0.00 0.15 -0.42 119.26 121.00 3k23 h ALA 574 Ca -0.01 0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 3k23 h ALA 574 Cb 0.71 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.71 3k23 h ALA 574 CO -0.15 -0.94 -0.03 0.28 0.00 0.00 0.00 179.25 178.41 3k23 h VAL 575 N 0.16 1.21 -0.75 0.00 2.07 -1.04 0.31 116.25 118.21 3k23 h VAL 575 Ca 0.79 -0.94 0.08 0.00 0.82 0.00 0.00 66.70 67.45 3k23 h VAL 575 Cb 2.12 1.82 -0.07 0.00 -1.52 0.00 0.00 31.29 33.64 3k23 h VAL 575 CO -0.57 0.23 0.42 0.11 0.02 0.00 0.00 177.57 177.78 3k23 h LYS 576 N -0.50 0.71 0.45 1.57 1.57 -1.05 0.26 116.57 119.58 3k23 h LYS 576 Ca -0.01 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 3k23 h LYS 576 Cb 0.44 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 3k23 h LYS 576 CO 0.01 0.47 -0.37 2.35 -0.57 0.00 0.00 179.45 181.34 3k23 h TRP 577 N 0.73 -0.99 -0.44 -1.35 7.01 -1.25 -2.92 115.95 116.74 3k23 h TRP 577 Ca 0.35 0.00 0.09 0.00 2.11 0.00 0.00 58.89 61.44 3k23 h TRP 577 Cb 0.28 0.37 -0.09 0.00 -2.10 0.00 0.00 29.16 27.62 3k23 h TRP 577 CO -0.07 -0.53 -0.25 0.00 -2.79 0.00 0.00 178.44 174.80 3k23 h ALA 578 N -0.42 0.03 0.00 2.65 0.00 0.94 0.13 119.26 122.59 3k23 h ALA 578 Ca -0.04 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3k23 h ALA 578 Cb 0.70 0.58 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3k23 h ALA 578 CO -0.01 -0.61 0.00 1.17 0.00 0.00 0.00 179.25 179.80 3k23 n LYS 579 N -5.40 0.13 -0.01 0.00 4.81 0.77 -0.49 118.16 117.96 3k23 n LYS 579 Ca 0.03 0.18 0.10 0.00 -0.87 0.00 0.00 58.31 57.74 3k23 n LYS 579 Cb 0.32 -1.50 -0.17 0.00 0.02 0.00 0.00 35.03 33.70 3k23 n LYS 579 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3k23 n ALA 580 N -1.23 2.75 -1.89 3.14 0.00 0.43 -4.81 120.51 118.89 3k23 n ALA 580 Ca 0.04 -0.54 -0.42 0.00 0.00 0.00 0.00 53.44 52.52 3k23 n ALA 580 Cb 0.05 -0.71 -0.03 0.00 0.00 0.00 0.00 19.45 18.76 3k23 n ALA 580 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3k23 s ILE 581 N -3.45 3.38 0.19 0.00 1.01 0.36 -4.90 121.20 117.79 3k23 s ILE 581 Ca -0.08 0.46 -0.33 0.00 0.00 0.00 0.00 60.65 60.70 3k23 s ILE 581 Cb 0.13 -3.31 -0.13 0.00 0.01 0.00 0.00 42.46 39.16 3k23 s ILE 581 CO 0.89 -0.06 1.65 -2.65 0.00 0.00 0.00 174.94 174.77 3k23 n PRO 582 N 7.39 2.49 0.00 2.79 -0.02 -1.26 -1.19 135.00 145.19 3k23 n PRO 582 Ca 0.19 0.90 0.00 0.00 -2.02 0.00 0.00 63.50 62.56 3k23 n PRO 582 Cb 0.43 -2.70 0.00 0.00 -0.02 0.00 0.00 33.50 31.20 3k23 n PRO 582 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3k23 n GLY 583 N 3.64 3.09 0.30 -1.23 0.00 -1.26 -4.87 105.19 104.86 3k23 n GLY 583 Ca 0.16 -0.87 0.17 0.00 0.00 0.00 0.00 46.02 45.48 3k23 n GLY 583 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3k23 h PHE 584 N 0.00 0.00 0.05 1.61 3.57 -1.46 -2.46 116.94 118.26 3k23 h PHE 584 Ca 0.00 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.42 3k23 h PHE 584 Cb 0.00 0.00 0.01 0.00 2.79 0.00 0.00 35.95 38.75 3k23 h PHE 584 CO 0.00 0.00 -0.37 0.00 -2.23 0.00 0.00 178.31 175.71 3k23 h ARG 585 N 0.00 0.12 -0.03 1.11 2.47 -1.88 -3.33 114.38 112.84 3k23 h ARG 585 Ca 0.00 -0.20 0.01 0.00 -1.26 0.00 0.00 59.98 58.53 3k23 h ARG 585 Cb 0.32 0.07 -0.00 0.00 -1.65 0.00 0.00 29.97 28.71 3k23 h ARG 585 CO 0.00 1.09 0.07 -0.91 0.56 0.00 0.00 179.97 180.78 3k23 h ASN 586 N -0.75 0.00 -4.33 7.04 4.21 -1.82 -3.43 115.58 116.50 3k23 h ASN 586 Ca -0.07 0.00 -0.51 0.00 1.21 0.00 0.00 56.30 56.93 3k23 h ASN 586 Cb 1.26 0.00 0.10 0.00 -1.12 0.00 0.00 38.32 38.56 3k23 h ASN 586 CO 0.05 0.00 0.36 -0.76 -1.29 0.00 0.00 177.43 175.80 3k23 s LEU 587 N -6.81 3.07 0.53 1.61 1.43 -1.21 -5.01 118.68 112.29 3k23 s LEU 587 Ca -0.05 1.59 -0.20 0.00 -1.03 0.00 0.00 54.13 54.44 3k23 s LEU 587 Cb 0.14 -4.43 -0.06 0.00 0.03 0.00 0.00 46.19 41.86 3k23 s LEU 587 CO 0.46 -1.53 1.15 -2.28 0.23 0.00 0.00 176.35 174.38 3k23 s HIS 588 N -3.05 2.67 0.24 0.29 5.65 -1.26 -4.78 115.29 115.05 3k23 s HIS 588 Ca 0.58 1.54 -0.05 0.00 0.25 0.00 0.00 55.06 57.38 3k23 s HIS 588 Cb -0.14 -3.34 0.35 0.00 -1.18 0.00 0.00 32.58 28.27 3k23 s HIS 588 CO 0.55 -1.65 1.83 1.25 -0.65 0.00 0.00 174.74 176.06 3k23 h LEU 589 N 1.34 0.73 -1.30 8.88 5.85 -1.95 0.48 115.31 129.34 3k23 h LEU 589 Ca -0.50 0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.20 3k23 h LEU 589 Cb 1.26 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.17 3k23 h LEU 589 CO 0.57 0.44 -0.06 0.44 -0.34 0.00 0.00 178.44 179.50 3k23 h ASP 590 N 0.85 0.37 0.36 1.25 3.32 -2.00 -1.46 116.42 119.12 3k23 h ASP 590 Ca 0.38 -0.07 -0.13 0.00 0.02 0.00 0.00 57.03 57.22 3k23 h ASP 590 Cb 0.26 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 3k23 h ASP 590 CO -0.21 0.48 -0.55 0.44 -1.72 0.00 0.00 179.24 177.68 3k23 h ASP 591 N 0.38 0.23 -0.34 6.45 5.19 -1.00 -2.46 116.42 124.88 3k23 h ASP 591 Ca 0.08 -0.12 -0.14 0.00 -0.62 0.00 0.00 57.03 56.23 3k23 h ASP 591 Cb 0.35 -0.07 -0.01 0.00 0.18 0.00 0.00 39.33 39.79 3k23 h ASP 591 CO 0.02 0.74 -0.32 1.56 -3.12 0.00 0.00 179.24 178.12 3k23 h GLN 592 N 0.16 0.81 -0.22 3.56 4.20 0.51 -3.10 115.11 121.03 3k23 h GLN 592 Ca 0.00 -0.42 -0.02 0.00 0.06 0.00 0.00 58.65 58.27 3k23 h GLN 592 Cb 1.02 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.81 3k23 h GLN 592 CO 0.08 1.05 0.05 0.52 -0.67 0.00 0.00 178.83 179.87 3k23 h MET 593 N 0.59 0.36 -0.45 1.46 2.86 -1.23 -2.94 114.93 115.58 3k23 h MET 593 Ca 0.06 -0.09 0.05 0.00 -2.06 0.00 0.00 59.70 57.66 3k23 h MET 593 Cb 0.90 -0.05 -0.05 0.00 0.06 0.00 0.00 31.60 32.47 3k23 h MET 593 CO 0.08 0.49 0.18 1.15 1.06 0.00 0.00 176.91 179.86 3k23 h THR 594 N 0.18 0.88 -0.62 2.22 2.02 -1.50 -0.46 112.91 115.63 3k23 h THR 594 Ca 0.07 -0.12 -0.08 0.00 0.77 0.00 0.00 66.41 67.05 3k23 h THR 594 Cb 0.29 0.49 -0.02 0.00 -1.74 0.00 0.00 68.15 67.17 3k23 h THR 594 CO 0.00 0.07 0.08 -0.07 0.37 0.00 0.00 175.52 175.97 3k23 h LEU 595 N 0.36 1.01 -0.19 2.58 3.38 -1.52 0.17 115.31 121.10 3k23 h LEU 595 Ca 0.21 -0.27 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 3k23 h LEU 595 Cb 0.18 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 3k23 h LEU 595 CO -0.20 1.02 -0.06 -0.07 0.09 0.00 0.00 178.44 179.22 3k23 h LEU 596 N 0.95 0.39 -2.35 1.67 3.38 -1.30 0.99 115.31 119.03 3k23 h LEU 596 Ca 0.19 -0.39 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 3k23 h LEU 596 Cb 0.46 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 3k23 h LEU 596 CO 0.02 0.69 -0.02 1.56 0.09 0.00 0.00 178.44 180.78 3k23 h GLN 597 N 0.09 0.00 0.05 1.13 4.20 -0.85 -0.71 115.11 119.02 3k23 h GLN 597 Ca 0.05 0.00 -0.30 0.00 0.06 0.00 0.00 58.65 58.45 3k23 h GLN 597 Cb 0.53 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.27 3k23 h GLN 597 CO 0.02 0.02 -1.66 1.88 -0.67 0.00 0.00 178.83 178.42 3k23 h TYR 598 N 0.00 0.20 0.00 2.96 -1.99 -0.34 -3.41 116.97 114.39 3k23 h TYR 598 Ca -0.00 -0.15 0.00 0.00 2.00 0.00 0.00 58.73 60.58 3k23 h TYR 598 Cb 0.20 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 38.93 3k23 h TYR 598 CO 0.00 1.25 -0.93 -1.13 -0.00 0.00 0.00 178.16 177.35 3k23 n SER 599 N -3.26 0.85 -0.29 3.88 3.41 0.31 -4.68 113.62 113.84 3k23 n SER 599 Ca -0.18 -0.70 0.11 0.00 -0.26 0.00 0.00 58.87 57.84 3k23 n SER 599 Cb 1.04 1.14 0.27 0.00 -0.26 0.00 0.00 64.21 66.41 3k23 n SER 599 CO 0.00 0.00 0.00 4.11 -0.16 0.00 0.00 175.04 178.99 3k23 h TRP 600 N 0.00 0.55 0.00 7.33 5.08 -1.36 0.65 115.95 128.20 3k23 h TRP 600 Ca 0.00 0.04 -0.09 0.00 1.08 0.00 0.00 58.89 59.92 3k23 h TRP 600 Cb 0.44 -0.11 -0.01 0.00 -3.00 0.00 0.00 29.16 26.48 3k23 h TRP 600 CO 0.00 -0.06 -0.42 1.98 -1.28 0.00 0.00 178.44 178.66 3k23 h MET 601 N 0.37 0.00 -0.24 0.12 4.05 -1.86 -2.89 114.93 114.47 3k23 h MET 601 Ca 0.52 0.00 -0.07 0.00 -0.28 0.00 0.00 59.70 59.87 3k23 h MET 601 Cb 0.97 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.77 3k23 h MET 601 CO -0.53 0.42 -0.12 1.88 0.23 0.00 0.00 176.91 178.79 3k23 h TYR 602 N 0.00 0.59 -0.83 1.39 -1.99 -0.04 -1.51 116.97 114.57 3k23 h TYR 602 Ca -0.00 -0.15 -0.02 0.00 2.00 0.00 0.00 58.73 60.56 3k23 h TYR 602 Cb 0.86 -0.14 -0.04 0.00 2.00 0.00 0.00 36.73 39.41 3k23 h TYR 602 CO 0.00 0.78 0.44 -0.07 -0.00 0.00 0.00 178.16 179.31 3k23 h LEU 603 N 0.23 1.05 -0.03 3.88 3.38 -1.20 -0.06 115.31 122.57 3k23 h LEU 603 Ca 0.05 -0.10 -0.09 0.00 0.09 0.00 0.00 57.88 57.84 3k23 h LEU 603 Cb 0.63 -0.27 0.01 0.00 0.09 0.00 0.00 40.66 41.11 3k23 h LEU 603 CO 0.04 0.85 -0.33 0.24 0.09 0.00 0.00 178.44 179.33 3k23 h MET 604 N 1.17 0.27 0.08 1.13 2.86 -1.48 -0.03 114.93 118.93 3k23 h MET 604 Ca 0.29 -0.25 0.02 0.00 -2.06 0.00 0.00 59.70 57.70 3k23 h MET 604 Cb 0.05 0.06 -0.04 0.00 0.06 0.00 0.00 31.60 31.73 3k23 h MET 604 CO -0.04 0.94 -0.33 0.00 1.06 0.00 0.00 176.91 178.54 3k23 h ALA 605 N 0.34 -0.53 0.22 6.32 0.00 -1.19 0.03 119.26 124.46 3k23 h ALA 605 Ca -0.03 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3k23 h ALA 605 Cb 1.03 0.55 -0.02 0.00 0.00 0.00 0.00 17.79 19.35 3k23 h ALA 605 CO 0.07 -0.86 -0.22 0.35 0.00 0.00 0.00 179.25 178.58 3k23 h PHE 606 N -0.52 -0.58 -0.07 0.00 3.57 -1.03 -1.22 116.94 117.08 3k23 h PHE 606 Ca 0.04 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.58 3k23 h PHE 606 Cb 0.58 0.23 -0.04 0.00 2.79 0.00 0.00 35.95 39.50 3k23 h PHE 606 CO -0.31 -0.33 -0.17 0.00 -2.23 0.00 0.00 178.31 175.27 3k23 h ALA 607 N 0.23 -0.16 -0.70 2.41 0.00 -0.83 0.14 119.26 120.35 3k23 h ALA 607 Ca -0.00 0.03 0.15 0.00 0.00 0.00 0.00 54.91 55.08 3k23 h ALA 607 Cb 0.44 0.33 -0.13 0.00 0.00 0.00 0.00 17.79 18.43 3k23 h ALA 607 CO -0.05 -0.65 -0.08 1.25 0.00 0.00 0.00 179.25 179.73 3k23 h LEU 608 N -0.25 -0.47 0.22 0.00 5.85 -0.96 -0.19 115.31 119.51 3k23 h LEU 608 Ca 0.08 0.19 0.01 0.00 0.84 0.00 0.00 57.88 59.00 3k23 h LEU 608 Cb 0.36 0.37 -0.02 0.00 0.37 0.00 0.00 40.66 41.74 3k23 h LEU 608 CO -0.21 -0.19 -0.24 1.23 -0.34 0.00 0.00 178.44 178.69 3k23 h GLY 609 N 0.05 -0.50 0.57 3.75 0.00 0.43 0.72 103.07 108.09 3k23 h GLY 609 Ca 0.36 0.27 0.09 0.00 0.00 0.00 0.00 47.33 48.05 3k23 h GLY 609 CO -0.66 -0.22 0.55 -0.25 0.00 0.00 0.00 176.54 175.96 3k23 h TRP 610 N -0.49 1.01 -0.06 5.60 2.91 -0.09 0.47 115.95 125.30 3k23 h TRP 610 Ca 0.00 0.03 -0.02 0.00 1.13 0.00 0.00 58.89 60.03 3k23 h TRP 610 Cb 0.47 -0.32 -0.00 0.00 -0.51 0.00 0.00 29.16 28.80 3k23 h TRP 610 CO -0.17 0.44 -0.06 0.00 -1.03 0.00 0.00 178.44 177.62 3k23 h ARG 611 N 0.93 0.14 -0.86 2.65 2.47 -0.68 -0.38 114.38 118.65 3k23 h ARG 611 Ca 0.43 -0.07 0.08 0.00 -1.26 0.00 0.00 59.98 59.16 3k23 h ARG 611 Cb 0.34 0.00 -0.07 0.00 -1.65 0.00 0.00 29.97 28.59 3k23 h ARG 611 CO -0.23 0.58 0.52 0.77 0.56 0.00 0.00 179.97 182.17 3k23 h SER 612 N -0.30 0.78 -0.13 7.04 0.02 -0.44 0.29 113.55 120.80 3k23 h SER 612 Ca 0.01 0.03 0.04 0.00 -0.84 0.00 0.00 61.79 61.04 3k23 h SER 612 Cb 0.56 -0.12 -0.05 0.00 0.14 0.00 0.00 62.40 62.93 3k23 h SER 612 CO 0.01 0.46 -0.16 0.22 -1.14 0.00 0.00 176.83 176.22 3k23 h TYR 613 N 0.90 -0.42 0.02 3.45 3.20 0.10 -1.61 116.97 122.60 3k23 h TYR 613 Ca 0.40 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.29 3k23 h TYR 613 Cb 0.30 0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.78 3k23 h TYR 613 CO -0.04 -0.24 -0.01 0.00 -1.64 0.00 0.00 178.16 176.23 3k23 h ARG 614 N -0.20 -0.02 -0.49 1.82 2.47 -0.52 -3.30 114.38 114.13 3k23 h ARG 614 Ca 0.10 0.00 -0.08 0.00 -1.26 0.00 0.00 59.98 58.74 3k23 h ARG 614 Cb 0.34 0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.65 3k23 h ARG 614 CO -0.25 0.73 -0.00 -0.56 0.56 0.00 0.00 179.97 180.44 3k23 h GLN 615 N -0.84 0.87 -3.30 0.04 -0.00 -0.55 -3.42 115.11 107.90 3k23 h GLN 615 Ca -0.00 -0.28 -0.41 0.00 -0.00 0.00 0.00 58.65 57.96 3k23 h GLN 615 Cb 0.76 -0.08 -0.39 0.00 -0.00 0.00 0.00 27.48 27.77 3k23 h GLN 615 CO 0.00 0.91 -0.75 0.45 -0.00 0.00 0.00 178.83 179.44 3k23 s SER 616 N -6.36 1.62 -0.42 0.06 0.15 -0.61 -5.04 113.70 103.10 3k23 s SER 616 Ca -0.12 -0.18 -0.17 0.00 0.70 0.00 0.00 55.95 56.18 3k23 s SER 616 Cb 0.12 -0.23 -0.18 0.00 -1.71 0.00 0.00 66.02 64.02 3k23 s SER 616 CO 0.82 -0.27 1.48 -1.20 1.20 0.00 0.00 173.24 175.27 3k23 n SER 617 N 5.26 0.07 -1.90 5.45 7.64 -1.25 -2.34 113.62 126.55 3k23 n SER 617 Ca -0.05 -1.93 -0.20 0.00 1.01 0.00 0.00 58.87 57.70 3k23 n SER 617 Cb 0.50 -0.93 -0.06 0.00 -1.01 0.00 0.00 64.21 62.71 3k23 n SER 617 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3k23 n ALA 618 N 11.32 -0.43 -0.04 -0.43 0.00 -1.19 -4.87 120.51 124.86 3k23 n ALA 618 Ca 0.26 0.26 -0.05 0.00 0.00 0.00 0.00 53.44 53.91 3k23 n ALA 618 Cb 0.43 -2.04 -0.06 0.00 0.00 0.00 0.00 19.45 17.78 3k23 n ALA 618 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3k23 n ASN 619 N -1.56 2.94 -4.68 0.00 5.03 -0.99 -4.50 115.26 111.51 3k23 n ASN 619 Ca -0.22 -0.01 -0.25 0.00 0.87 0.00 0.00 54.58 54.98 3k23 n ASN 619 Cb 0.67 0.55 -0.08 0.00 -1.02 0.00 0.00 39.78 39.90 3k23 n ASN 619 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3k23 s LEU 620 N -4.81 3.06 -0.58 3.41 1.43 -1.26 -4.91 118.68 115.01 3k23 s LEU 620 Ca -0.06 -1.02 -0.08 0.00 -1.03 0.00 0.00 54.13 51.94 3k23 s LEU 620 Cb 0.03 -1.40 0.15 0.00 0.03 0.00 0.00 46.19 45.00 3k23 s LEU 620 CO 0.33 -0.36 0.45 -0.22 0.23 0.00 0.00 176.35 176.78 3k23 s LEU 621 N -3.80 5.75 -1.07 1.79 2.96 -0.83 -4.69 118.68 118.79 3k23 s LEU 621 Ca 0.37 -2.34 -0.15 0.00 -0.22 0.00 0.00 54.13 51.79 3k23 s LEU 621 Cb 0.02 -1.99 0.17 0.00 0.50 0.00 0.00 46.19 44.89 3k23 s LEU 621 CO 0.21 -0.57 1.23 0.00 -1.32 0.00 0.00 176.35 175.90 3k23 h PHE 623 N 7.70 -0.02 -3.48 0.00 -1.00 -1.86 -3.39 116.94 114.89 3k23 h PHE 623 Ca 0.23 -0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.97 3k23 h PHE 623 Cb 0.94 0.01 -0.10 0.00 3.61 0.00 0.00 35.95 40.40 3k23 h PHE 623 CO 1.08 0.41 -0.07 0.00 -1.61 0.00 0.00 178.31 178.12 3k23 s ALA 624 N -4.46 -0.62 0.32 2.45 0.00 -1.04 -4.97 121.76 113.44 3k23 s ALA 624 Ca -0.15 -0.48 0.08 0.00 0.00 0.00 0.00 51.96 51.40 3k23 s ALA 624 Cb 0.02 0.88 0.80 0.00 0.00 0.00 0.00 23.12 24.82 3k23 s ALA 624 CO 0.66 -0.78 1.77 -1.35 0.00 0.00 0.00 175.76 176.07 3k23 h PRO 625 N 2.29 0.68 -0.68 0.00 0.11 -1.92 -0.52 132.00 131.95 3k23 h PRO 625 Ca -0.29 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.78 3k23 h PRO 625 Cb 1.25 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3k23 h PRO 625 CO 0.39 0.45 0.00 -0.40 -0.21 0.00 0.00 178.00 178.23 3k23 n ASP 626 N -4.76 3.36 -3.19 -2.05 5.75 -1.26 -4.57 116.55 109.83 3k23 n ASP 626 Ca 0.24 -2.41 -0.05 0.00 -0.01 0.00 0.00 54.79 52.56 3k23 n ASP 626 Cb 0.62 -0.53 -0.03 0.00 -1.03 0.00 0.00 41.12 40.15 3k23 n ASP 626 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 3k23 s LEU 627 N -1.43 -1.06 -0.36 -2.12 2.96 -0.20 -4.60 118.68 111.86 3k23 s LEU 627 Ca 0.30 -1.19 -0.05 0.00 -0.22 0.00 0.00 54.13 52.97 3k23 s LEU 627 Cb 0.22 1.53 0.06 0.00 0.50 0.00 0.00 46.19 48.50 3k23 s LEU 627 CO 0.11 -0.17 0.13 -0.63 -1.32 0.00 0.00 176.35 174.47 3k23 s ILE 628 N 1.54 3.61 -0.36 6.68 -1.09 -1.25 -2.50 121.20 127.83 3k23 s ILE 628 Ca 0.19 -1.40 -0.16 0.00 -2.23 0.00 0.00 60.65 57.04 3k23 s ILE 628 Cb -0.06 -3.16 -0.00 0.00 -1.58 0.00 0.00 42.46 37.66 3k23 s ILE 628 CO -0.06 -0.32 0.42 -0.63 -1.23 0.00 0.00 174.94 173.13 3k23 s ILE 629 N 1.33 5.10 1.31 2.92 1.01 -0.54 -4.95 121.20 127.39 3k23 s ILE 629 Ca 0.00 0.03 -0.18 0.00 0.00 0.00 0.00 60.65 60.50 3k23 s ILE 629 Cb -0.21 -3.92 0.34 0.00 0.01 0.00 0.00 42.46 38.68 3k23 s ILE 629 CO 0.01 -0.21 0.97 0.21 0.00 0.00 0.00 174.94 175.91 3k23 s ASN 630 N 1.76 -0.22 0.06 3.58 3.84 -1.26 -1.96 114.94 120.74 3k23 s ASN 630 Ca 0.14 1.22 -0.17 0.00 0.21 0.00 0.00 52.86 54.26 3k23 s ASN 630 Cb -0.16 -1.85 -0.06 0.00 -0.55 0.00 0.00 41.25 38.63 3k23 s ASN 630 CO 0.13 -4.90 1.28 -0.33 -2.79 0.00 0.00 177.10 170.49 3k23 h GLU 631 N -3.10 -0.27 0.00 0.43 5.08 -1.98 -3.46 114.58 111.28 3k23 h GLU 631 Ca -0.55 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.83 3k23 h GLU 631 Cb 1.34 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.65 3k23 h GLU 631 CO 0.40 -0.18 0.00 0.00 -1.00 0.00 0.00 179.01 178.23 3k23 n GLN 632 N -4.01 0.00 0.00 2.33 -0.00 -1.26 -4.90 117.38 109.54 3k23 n GLN 632 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.97 3k23 n GLN 632 Cb 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 30.24 30.43 3k23 n GLN 632 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3k23 n GLY 638 N 0.00 0.00 1.83 2.61 0.00 -1.26 -5.22 105.19 103.15 3k23 n GLY 638 Ca 0.00 -0.19 -0.03 0.00 0.00 0.00 0.00 46.02 45.79 3k23 n GLY 638 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 3k23 n MET 639 N 0.00 0.65 0.00 1.61 -0.00 -1.26 -5.00 117.12 113.12 3k23 n MET 639 Ca 0.00 -1.39 0.00 0.00 -0.00 0.00 0.00 57.70 56.31 3k23 n MET 639 Cb 0.00 0.24 0.00 0.00 -0.00 0.00 0.00 33.22 33.46 3k23 n MET 639 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 3k23 n TYR 640 N -0.58 0.00 -0.32 3.17 0.53 -1.26 0.46 117.16 119.16 3k23 n TYR 640 Ca -0.18 0.00 0.19 0.00 -1.02 0.00 0.00 57.90 56.89 3k23 n TYR 640 Cb 0.82 -0.42 0.39 0.00 -1.03 0.00 0.00 39.34 39.10 3k23 n TYR 640 CO 0.00 0.00 0.00 0.38 -1.02 0.00 0.00 176.86 176.22 3k23 h ASP 641 N 0.00 0.31 0.55 7.72 2.03 -1.98 0.33 116.42 125.37 3k23 h ASP 641 Ca 0.00 0.19 -0.03 0.00 -0.73 0.00 0.00 57.03 56.47 3k23 h ASP 641 Cb 0.00 0.19 0.01 0.00 -0.83 0.00 0.00 39.33 38.69 3k23 h ASP 641 CO 0.00 -0.13 -0.26 1.56 -1.03 0.00 0.00 179.24 179.37 3k23 h GLN 642 N 0.29 -0.71 -0.63 4.15 4.20 -1.60 -1.92 115.11 118.89 3k23 h GLN 642 Ca 0.66 0.05 0.08 0.00 0.06 0.00 0.00 58.65 59.49 3k23 h GLN 642 Cb 1.42 0.16 -0.06 0.00 0.30 0.00 0.00 27.48 29.30 3k23 h GLN 642 CO -0.62 -0.47 0.30 0.00 -0.67 0.00 0.00 178.83 177.37 3k23 h LYS 644 N 0.55 -0.15 -0.87 0.00 3.64 -0.47 0.35 116.57 119.61 3k23 h LYS 644 Ca 0.30 0.01 0.14 0.00 -1.27 0.00 0.00 60.65 59.84 3k23 h LYS 644 Cb 0.29 0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 32.08 3k23 h LYS 644 CO -0.24 -0.10 0.57 0.45 -2.27 0.00 0.00 179.45 177.85 3k23 h HIS 645 N -0.16 0.78 -0.27 1.91 3.86 -0.99 0.37 115.15 120.66 3k23 h HIS 645 Ca -0.01 0.02 -0.09 0.00 -1.16 0.00 0.00 60.37 59.13 3k23 h HIS 645 Cb 0.13 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 28.35 3k23 h HIS 645 CO -0.04 0.29 -0.17 0.52 0.86 0.00 0.00 177.93 179.39 3k23 h MET 646 N 0.66 0.59 0.00 2.45 2.86 -0.47 -3.01 114.93 118.01 3k23 h MET 646 Ca 0.44 -0.28 -0.02 0.00 -2.06 0.00 0.00 59.70 57.78 3k23 h MET 646 Cb 0.73 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.38 3k23 h MET 646 CO -0.19 0.86 -0.11 -0.07 1.06 0.00 0.00 176.91 178.45 3k23 h LEU 647 N 0.32 0.00 0.53 1.22 3.38 0.11 -2.92 115.31 117.95 3k23 h LEU 647 Ca 0.05 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 3k23 h LEU 647 Cb 0.71 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.46 3k23 h LEU 647 CO 0.05 0.11 -0.25 0.22 0.09 0.00 0.00 178.44 178.65 3k23 h TYR 648 N 0.00 -0.66 -0.71 1.13 5.03 -0.98 -2.01 116.97 118.77 3k23 h TYR 648 Ca -0.00 -0.02 0.14 0.00 2.58 0.00 0.00 58.73 61.43 3k23 h TYR 648 Cb 0.41 0.22 -0.13 0.00 1.55 0.00 0.00 36.73 38.77 3k23 h TYR 648 CO 0.00 -0.33 -0.21 0.28 -1.32 0.00 0.00 178.16 176.58 3k23 h VAL 649 N -0.94 0.26 -0.92 1.81 2.07 -1.47 -0.22 116.25 116.83 3k23 h VAL 649 Ca -0.07 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.45 3k23 h VAL 649 Cb 0.62 0.26 -0.05 0.00 -1.52 0.00 0.00 31.29 30.60 3k23 h VAL 649 CO 0.12 0.00 0.60 -1.28 0.02 0.00 0.00 177.57 177.03 3k23 h SER 650 N -0.02 1.07 0.60 0.57 0.87 -1.42 -1.95 113.55 113.26 3k23 h SER 650 Ca 0.33 -0.03 -0.18 0.00 -1.23 0.00 0.00 61.79 60.68 3k23 h SER 650 Cb 0.53 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.21 3k23 h SER 650 CO -0.74 0.78 -0.79 0.77 -0.53 0.00 0.00 176.83 176.32 3k23 h SER 651 N 1.26 0.18 -0.56 6.23 4.64 -0.52 -1.24 113.55 123.54 3k23 h SER 651 Ca 0.34 -0.14 -0.07 0.00 -0.47 0.00 0.00 61.79 61.45 3k23 h SER 651 Cb -0.13 -0.06 -0.03 0.00 -0.31 0.00 0.00 62.40 61.88 3k23 h SER 651 CO -0.07 0.90 0.10 -0.33 -0.87 0.00 0.00 176.83 176.56 3k23 h GLU 652 N 0.09 0.97 -0.55 4.77 4.39 -0.64 0.82 114.58 124.43 3k23 h GLU 652 Ca -0.03 -0.24 -0.08 0.00 0.34 0.00 0.00 59.36 59.36 3k23 h GLU 652 Cb 1.39 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 29.89 3k23 h GLU 652 CO 0.12 0.89 0.04 -0.07 -1.16 0.00 0.00 179.01 178.83 3k23 h LEU 653 N 0.91 0.92 -0.61 1.33 3.38 -1.20 -1.12 115.31 118.92 3k23 h LEU 653 Ca 0.19 -0.29 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 3k23 h LEU 653 Cb 0.40 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 3k23 h LEU 653 CO 0.01 0.98 0.19 -0.74 0.09 0.00 0.00 178.44 178.96 3k23 h HIS 654 N 0.83 0.99 0.10 1.13 2.76 -0.49 0.14 115.15 120.61 3k23 h HIS 654 Ca 0.16 -0.10 -0.00 0.00 -2.20 0.00 0.00 60.37 58.22 3k23 h HIS 654 Cb 0.48 -0.29 0.00 0.00 1.55 0.00 0.00 27.41 29.16 3k23 h HIS 654 CO 0.04 0.82 -0.05 -0.09 -1.30 0.00 0.00 177.93 177.34 3k23 h ARG 655 N 0.88 -0.13 0.00 5.26 2.43 0.77 -2.84 114.38 120.75 3k23 h ARG 655 Ca 0.20 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.38 3k23 h ARG 655 Cb 0.30 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 3k23 h ARG 655 CO -0.01 0.14 0.00 -0.07 -1.51 0.00 0.00 179.97 178.53 3k23 h LEU 656 N -0.40 0.00 -2.03 3.80 3.38 -1.19 -3.47 115.31 115.40 3k23 h LEU 656 Ca -0.01 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.69 3k23 h LEU 656 Cb 0.33 0.00 0.16 0.00 0.09 0.00 0.00 40.66 41.25 3k23 h LEU 656 CO 0.02 0.00 -0.72 0.00 0.09 0.00 0.00 178.44 177.83 3k23 n GLN 657 N -2.96 -4.31 -2.13 1.13 6.02 0.45 -4.90 117.38 110.68 3k23 n GLN 657 Ca 0.01 0.77 -0.41 0.00 -0.01 0.00 0.00 57.00 57.36 3k23 n GLN 657 Cb 0.33 -5.46 -0.02 0.00 1.02 0.00 0.00 30.24 26.10 3k23 n GLN 657 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3k23 s VAL 658 N -3.33 2.81 0.84 5.09 1.01 -1.01 -5.01 120.40 120.80 3k23 s VAL 658 Ca 0.17 0.78 -0.11 0.00 0.00 0.00 0.00 61.98 62.82 3k23 s VAL 658 Cb -0.02 -3.49 0.14 0.00 0.00 0.00 0.00 36.38 33.00 3k23 s VAL 658 CO 0.66 0.17 1.18 -0.94 0.00 0.00 0.00 175.10 176.17 3k23 s SER 659 N -0.28 3.91 0.10 3.32 1.04 -1.26 -4.90 113.70 115.62 3k23 s SER 659 Ca 0.51 0.30 -0.14 0.00 0.48 0.00 0.00 55.95 57.10 3k23 s SER 659 Cb -0.39 -0.60 -0.12 0.00 0.10 0.00 0.00 66.02 65.00 3k23 s SER 659 CO 0.49 -2.22 1.35 0.22 0.98 0.00 0.00 173.24 174.06 3k23 h TYR 660 N -1.15 0.96 -0.05 5.02 3.20 -1.98 -0.90 116.97 122.06 3k23 h TYR 660 Ca -0.43 -0.37 -0.01 0.00 3.14 0.00 0.00 58.73 61.06 3k23 h TYR 660 Cb 1.27 -0.17 -0.00 0.00 1.54 0.00 0.00 36.73 39.37 3k23 h TYR 660 CO -0.43 1.17 -0.00 0.93 -1.64 0.00 0.00 178.16 178.19 3k23 h GLU 661 N 0.47 0.09 -0.68 1.82 5.08 -1.96 -0.06 114.58 119.34 3k23 h GLU 661 Ca -0.00 -0.03 0.09 0.00 -1.00 0.00 0.00 59.36 58.42 3k23 h GLU 661 Cb 1.15 -0.01 -0.11 0.00 0.50 0.00 0.00 28.75 30.28 3k23 h GLU 661 CO 0.12 0.38 -0.46 0.93 -1.00 0.00 0.00 179.01 178.97 3k23 h GLU 662 N -0.21 -0.17 -0.99 2.33 5.08 -1.88 -1.64 114.58 117.10 3k23 h GLU 662 Ca 0.01 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.44 3k23 h GLU 662 Cb 0.34 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.56 3k23 h GLU 662 CO 0.00 -0.12 0.64 -0.92 -1.00 0.00 0.00 179.01 177.62 3k23 h TYR 663 N -0.18 1.19 0.21 4.33 3.20 -0.72 -0.68 116.97 124.32 3k23 h TYR 663 Ca 0.19 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.08 3k23 h TYR 663 Cb 0.55 -0.39 0.00 0.00 1.54 0.00 0.00 36.73 38.43 3k23 h TYR 663 CO -0.78 0.64 -0.10 -0.07 -1.64 0.00 0.00 178.16 176.21 3k23 h LEU 664 N 1.19 -0.24 -0.10 2.82 3.38 -0.41 0.10 115.31 122.05 3k23 h LEU 664 Ca 0.42 -0.15 0.04 0.00 0.09 0.00 0.00 57.88 58.28 3k23 h LEU 664 Cb 0.12 0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.89 3k23 h LEU 664 CO -0.16 0.01 -0.16 0.00 0.09 0.00 0.00 178.44 178.23 3k23 h MET 666 N -0.21 0.68 -0.05 0.00 2.86 -0.96 -0.88 114.93 116.37 3k23 h MET 666 Ca 0.09 -0.04 -0.21 0.00 -2.06 0.00 0.00 59.70 57.48 3k23 h MET 666 Cb 0.33 -0.15 -0.00 0.00 0.06 0.00 0.00 31.60 31.84 3k23 h MET 666 CO -0.23 0.45 -0.84 -0.22 1.06 0.00 0.00 176.91 177.13 3k23 h LYS 667 N 0.70 0.44 -0.62 1.72 3.64 -0.33 -2.60 116.57 119.52 3k23 h LYS 667 Ca 0.36 -0.41 -0.09 0.00 -1.27 0.00 0.00 60.65 59.24 3k23 h LYS 667 Cb 0.46 0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.36 3k23 h LYS 667 CO -0.14 1.06 0.05 1.15 -2.27 0.00 0.00 179.45 179.30 3k23 h THR 668 N 0.28 1.26 -0.69 1.00 2.02 -0.37 -2.45 112.91 113.95 3k23 h THR 668 Ca -0.06 -1.09 0.06 0.00 0.77 0.00 0.00 66.41 66.09 3k23 h THR 668 Cb 1.44 0.76 -0.04 0.00 -1.74 0.00 0.00 68.15 68.57 3k23 h THR 668 CO 0.15 0.40 0.46 -0.07 0.37 0.00 0.00 175.52 176.82 3k23 h LEU 669 N 0.96 0.63 -1.17 2.58 3.38 -1.03 -1.15 115.31 119.51 3k23 h LEU 669 Ca 0.18 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.09 3k23 h LEU 669 Cb 0.50 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 3k23 h LEU 669 CO 0.02 0.41 -0.08 -0.07 0.09 0.00 0.00 178.44 178.82 3k23 h LEU 670 N 0.72 0.46 -1.58 1.67 3.38 -1.05 -0.78 115.31 118.12 3k23 h LEU 670 Ca 0.30 -0.10 0.15 0.00 0.09 0.00 0.00 57.88 58.31 3k23 h LEU 670 Cb 0.24 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.82 3k23 h LEU 670 CO -0.09 0.58 0.50 0.25 0.09 0.00 0.00 178.44 179.77 3k23 h LEU 671 N 0.45 0.39 -3.81 1.67 5.85 -1.09 -2.09 115.31 116.68 3k23 h LEU 671 Ca 0.09 0.02 -0.42 0.00 0.84 0.00 0.00 57.88 58.42 3k23 h LEU 671 Cb 0.42 -0.06 -0.25 0.00 0.37 0.00 0.00 40.66 41.15 3k23 h LEU 671 CO 0.02 0.20 0.44 0.18 -0.34 0.00 0.00 178.44 178.94 3k23 n LEU 672 N -4.48 6.00 0.18 2.25 4.77 -0.33 -4.68 117.00 120.71 3k23 n LEU 672 Ca 0.14 -3.65 0.10 0.00 -0.03 0.00 0.00 56.01 52.58 3k23 n LEU 672 Cb 0.53 -0.78 0.10 0.00 -2.33 0.00 0.00 43.42 40.94 3k23 n LEU 672 CO 0.33 1.10 0.55 0.77 -1.33 0.00 0.00 177.39 178.81 3k23 h SER 673 N 1.06 0.00 -4.78 -1.43 4.64 -1.07 -3.47 113.55 108.51 3k23 h SER 673 Ca 0.51 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.69 3k23 h SER 673 Cb 2.52 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 64.40 3k23 h SER 673 CO 0.90 0.10 -0.42 -0.44 -0.87 0.00 0.00 176.83 176.10 3k23 s SER 674 N -6.06 -0.08 0.12 4.97 0.01 -1.26 -1.61 113.70 109.79 3k23 s SER 674 Ca 0.05 -0.01 0.02 0.00 1.31 0.00 0.00 55.95 57.31 3k23 s SER 674 Cb 0.06 0.28 -0.04 0.00 0.21 0.00 0.00 66.02 66.53 3k23 s SER 674 CO 0.71 -0.34 -0.04 0.68 0.41 0.00 0.00 173.24 174.66 3k23 s VAL 675 N -1.11 0.67 0.49 3.43 -7.23 -0.90 -4.83 120.40 110.92 3k23 s VAL 675 Ca -0.12 -1.95 -0.22 0.00 -1.81 0.00 0.00 61.98 57.88 3k23 s VAL 675 Cb -0.06 -1.83 -0.07 0.00 0.56 0.00 0.00 36.38 34.98 3k23 s VAL 675 CO 0.02 -0.73 1.20 -2.84 -0.31 0.00 0.00 175.10 172.43 3k23 s PRO 676 N -3.87 3.58 0.31 4.82 0.02 -1.26 -1.17 135.00 137.44 3k23 s PRO 676 Ca 0.16 1.84 0.04 0.00 0.02 0.00 0.00 61.00 63.06 3k23 s PRO 676 Cb 0.06 -2.33 0.53 0.00 0.02 0.00 0.00 34.50 32.78 3k23 s PRO 676 CO -0.02 -0.72 1.80 -0.22 -0.33 0.00 0.00 177.00 177.52 3k23 h LYS 677 N 1.82 0.47 0.00 5.54 1.63 -1.59 -0.14 116.57 124.30 3k23 h LYS 677 Ca -0.50 -0.14 0.00 0.00 -0.85 0.00 0.00 60.65 59.17 3k23 h LYS 677 Cb 1.26 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.84 3k23 h LYS 677 CO 0.59 0.60 0.00 -0.40 -3.45 0.00 0.00 179.45 176.79 3k23 n ASP 678 N -4.20 0.00 0.00 4.20 5.75 -1.26 -4.98 116.55 116.06 3k23 n ASP 678 Ca 0.00 -0.35 0.00 0.00 -0.01 0.00 0.00 54.79 54.43 3k23 n ASP 678 Cb 0.33 -0.15 0.00 0.00 -1.03 0.00 0.00 41.12 40.27 3k23 n ASP 678 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3k23 n GLY 679 N 0.46 -0.71 3.86 6.12 0.00 -0.07 -4.96 105.19 109.88 3k23 n GLY 679 Ca 0.13 -1.60 -0.32 0.00 0.00 0.00 0.00 46.02 44.24 3k23 n GLY 679 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k23 s LEU 680 N -2.29 3.45 0.03 0.99 1.43 -1.26 -4.74 118.68 116.29 3k23 s LEU 680 Ca 0.00 1.50 -0.26 0.00 -1.03 0.00 0.00 54.13 54.33 3k23 s LEU 680 Cb 0.00 -4.49 -0.17 0.00 0.03 0.00 0.00 46.19 41.56 3k23 s LEU 680 CO 0.00 -0.71 1.40 0.11 0.23 0.00 0.00 176.35 177.38 3k23 h LYS 681 N 0.36 -0.41 -2.15 1.70 1.57 -1.96 -3.00 116.57 112.68 3k23 h LYS 681 Ca -0.46 0.03 -0.52 0.00 -1.87 0.00 0.00 60.65 57.83 3k23 h LYS 681 Cb 1.19 0.09 -0.15 0.00 0.08 0.00 0.00 32.23 33.44 3k23 h LYS 681 CO 0.62 -0.14 0.80 0.43 -0.57 0.00 0.00 179.45 180.59 3k23 n SER 682 N -5.18 6.71 0.19 0.86 7.64 -1.26 -4.69 113.62 117.90 3k23 n SER 682 Ca -0.10 -3.10 -0.08 0.00 1.01 0.00 0.00 58.87 56.60 3k23 n SER 682 Cb 0.25 -1.29 -0.04 0.00 -1.01 0.00 0.00 64.21 62.12 3k23 n SER 682 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 3k23 h GLN 683 N 3.37 -0.49 -1.00 1.43 5.75 -1.91 0.82 115.11 123.08 3k23 h GLN 683 Ca 0.45 0.03 0.40 0.00 -0.15 0.00 0.00 58.65 59.38 3k23 h GLN 683 Cb 0.71 0.11 -0.18 0.00 1.07 0.00 0.00 27.48 29.19 3k23 h GLN 683 CO 0.95 -0.32 0.51 0.93 -2.65 0.00 0.00 178.83 178.24 3k23 h GLU 684 N -0.60 0.04 -0.04 1.69 3.07 -1.88 0.48 114.58 117.34 3k23 h GLU 684 Ca -0.05 -0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.79 3k23 h GLU 684 Cb 0.39 -0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 28.29 3k23 h GLU 684 CO 0.08 0.02 -0.03 1.25 -1.40 0.00 0.00 179.01 178.94 3k23 h LEU 685 N 0.04 0.09 -0.70 1.33 5.85 -1.89 -3.00 115.31 117.04 3k23 h LEU 685 Ca 0.82 -0.45 0.11 0.00 0.84 0.00 0.00 57.88 59.20 3k23 h LEU 685 Cb 2.12 -0.03 -0.12 0.00 0.37 0.00 0.00 40.66 43.00 3k23 h LEU 685 CO -0.76 0.53 -0.39 0.15 -0.34 0.00 0.00 178.44 177.63 3k23 h PHE 686 N -0.34 -1.10 0.00 1.25 3.57 0.24 -0.90 116.94 119.66 3k23 h PHE 686 Ca 0.01 0.09 -0.07 0.00 3.53 0.00 0.00 57.97 61.52 3k23 h PHE 686 Cb 0.50 0.58 -0.01 0.00 2.79 0.00 0.00 35.95 39.81 3k23 h PHE 686 CO 0.08 -0.40 -0.32 -0.44 -2.23 0.00 0.00 178.31 175.00 3k23 h ASP 687 N -0.14 0.00 0.02 0.41 3.32 -1.40 -0.35 116.42 118.27 3k23 h ASP 687 Ca 0.24 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.29 3k23 h ASP 687 Cb 0.56 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.11 3k23 h ASP 687 CO -0.76 0.32 -0.01 -0.08 -1.72 0.00 0.00 179.24 176.99 3k23 h GLU 688 N 0.00 -0.02 -0.41 3.56 4.81 -1.05 -2.15 114.58 119.31 3k23 h GLU 688 Ca -0.00 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.13 3k23 h GLU 688 Cb 0.63 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.00 3k23 h GLU 688 CO 0.04 0.05 -0.11 0.82 -0.73 0.00 0.00 179.01 179.08 3k23 h ILE 689 N -0.09 1.28 -0.69 2.32 2.04 -0.41 -2.32 117.51 119.64 3k23 h ILE 689 Ca -0.00 -1.22 -0.04 0.00 1.00 0.00 0.00 64.86 64.60 3k23 h ILE 689 Cb 0.08 1.20 -0.03 0.00 -0.74 0.00 0.00 36.82 37.33 3k23 h ILE 689 CO 0.00 0.41 0.28 -0.09 0.00 0.00 0.00 178.15 178.76 3k23 h ARG 690 N 0.63 1.02 -0.02 2.37 2.43 -1.13 -1.39 114.38 118.30 3k23 h ARG 690 Ca 0.10 -0.17 -0.10 0.00 -0.81 0.00 0.00 59.98 59.00 3k23 h ARG 690 Cb 0.65 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 30.01 3k23 h ARG 690 CO 0.04 0.83 -0.48 1.98 -1.51 0.00 0.00 179.97 180.83 3k23 h MET 691 N 1.00 0.04 -0.43 0.20 4.05 -1.23 -2.37 114.93 116.19 3k23 h MET 691 Ca 0.23 -0.02 -0.04 0.00 -0.28 0.00 0.00 59.70 59.59 3k23 h MET 691 Cb 0.18 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 30.97 3k23 h MET 691 CO -0.02 0.51 0.11 1.15 0.23 0.00 0.00 176.91 178.88 3k23 h THR 692 N 0.03 1.23 0.00 -0.77 2.02 -0.77 -2.96 112.91 111.69 3k23 h THR 692 Ca -0.00 -0.80 0.00 0.00 0.77 0.00 0.00 66.41 66.38 3k23 h THR 692 Cb 0.86 0.94 0.00 0.00 -1.74 0.00 0.00 68.15 68.20 3k23 h THR 692 CO 0.06 0.28 0.00 1.88 0.37 0.00 0.00 175.52 178.11 3k23 h TYR 693 N 0.56 0.00 -0.05 3.16 0.05 -1.04 -2.64 116.97 117.01 3k23 h TYR 693 Ca 0.13 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.90 3k23 h TYR 693 Cb 0.31 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.05 3k23 h TYR 693 CO 0.02 0.00 -0.04 0.82 -1.05 0.00 0.00 178.16 177.91 3k23 h ILE 694 N 0.00 1.35 -0.67 -2.88 2.04 -1.33 -2.89 117.51 113.14 3k23 h ILE 694 Ca 0.00 -1.11 0.15 0.00 1.00 0.00 0.00 64.86 64.90 3k23 h ILE 694 Cb 0.57 1.98 -0.04 0.00 -0.74 0.00 0.00 36.82 38.59 3k23 h ILE 694 CO 0.00 0.30 0.46 0.11 0.00 0.00 0.00 178.15 179.02 3k23 h LYS 695 N -0.30 0.28 -0.16 2.37 1.57 -1.32 0.60 116.57 119.61 3k23 h LYS 695 Ca 0.01 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.73 3k23 h LYS 695 Cb 0.50 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.75 3k23 h LYS 695 CO 0.01 0.18 -0.07 1.49 -0.57 0.00 0.00 179.45 180.49 3k23 h GLU 696 N 0.29 0.33 0.00 3.15 4.57 -1.47 0.34 114.58 121.79 3k23 h GLU 696 Ca 0.32 -0.14 -0.01 0.00 -1.18 0.00 0.00 59.36 58.36 3k23 h GLU 696 Cb 0.87 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.45 3k23 h GLU 696 CO -0.08 0.64 -0.02 1.25 -1.18 0.00 0.00 179.01 179.62 3k23 h LEU 697 N 0.02 0.00 0.50 1.64 5.85 -1.10 0.25 115.31 122.46 3k23 h LEU 697 Ca 0.04 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 3k23 h LEU 697 Cb 0.54 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.57 3k23 h LEU 697 CO 0.02 0.02 -0.24 1.23 -0.34 0.00 0.00 178.44 179.14 3k23 h GLY 698 N 0.09 -0.70 1.38 3.75 0.00 0.23 -2.80 103.07 105.02 3k23 h GLY 698 Ca -0.00 0.26 0.01 0.00 0.00 0.00 0.00 47.33 47.60 3k23 h GLY 698 CO 0.00 -0.26 0.42 0.50 0.00 0.00 0.00 176.54 177.20 3k23 h LYS 699 N -0.78 0.83 -0.53 4.80 1.57 0.64 -1.24 116.57 121.86 3k23 h LYS 699 Ca -0.07 -0.05 0.04 0.00 -1.87 0.00 0.00 60.65 58.70 3k23 h LYS 699 Cb 0.56 -0.19 -0.04 0.00 0.08 0.00 0.00 32.23 32.65 3k23 h LYS 699 CO 0.11 0.55 0.29 0.00 -0.57 0.00 0.00 179.45 179.83 3k23 h ALA 700 N 1.61 0.69 -0.75 3.86 0.00 -0.57 0.68 119.26 124.76 3k23 h ALA 700 Ca 0.23 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 3k23 h ALA 700 Cb -0.10 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 3k23 h ALA 700 CO -0.05 -0.03 0.42 0.82 0.00 0.00 0.00 179.25 180.41 3k23 h ILE 701 N 0.57 1.22 -0.32 0.00 2.04 -1.00 -1.72 117.51 118.29 3k23 h ILE 701 Ca 0.23 -0.55 -0.08 0.00 1.00 0.00 0.00 64.86 65.46 3k23 h ILE 701 Cb 0.10 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 36.38 3k23 h ILE 701 CO -0.14 0.25 -0.12 0.58 0.00 0.00 0.00 178.15 178.72 3k23 h VAL 702 N 1.04 1.29 0.00 1.67 2.07 -0.30 -2.63 116.25 119.38 3k23 h VAL 702 Ca 0.27 -1.21 -0.00 0.00 0.82 0.00 0.00 66.70 66.58 3k23 h VAL 702 Cb 0.02 1.39 -0.00 0.00 -1.52 0.00 0.00 31.29 31.18 3k23 h VAL 702 CO -0.04 0.39 -0.01 0.11 0.02 0.00 0.00 177.57 178.03 3k23 h LYS 703 N 0.42 0.00 -0.10 1.57 6.56 0.41 -2.61 116.57 122.83 3k23 h LYS 703 Ca 0.08 0.00 -0.13 0.00 -1.06 0.00 0.00 60.65 59.53 3k23 h LYS 703 Cb 0.64 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 32.30 3k23 h LYS 703 CO 0.04 0.01 -0.46 -0.09 -2.06 0.00 0.00 179.45 176.90 3k23 h ARG 704 N 0.00 0.48 0.00 3.15 2.43 -0.96 -3.48 114.38 115.99 3k23 h ARG 704 Ca -0.00 -0.39 0.00 0.00 -0.81 0.00 0.00 59.98 58.78 3k23 h ARG 704 Cb 0.31 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 3k23 h ARG 704 CO 0.00 1.02 0.00 -1.91 -1.51 0.00 0.00 179.97 177.57 3k23 n GLU 705 N -4.28 0.00 -1.23 0.20 2.13 -0.98 -5.06 120.64 111.42 3k23 n GLU 705 Ca -0.08 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.74 3k23 n GLU 705 Cb 0.57 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.28 3k23 n GLU 705 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3k23 n GLY 706 N -1.29 1.04 0.13 8.31 0.00 -1.23 -4.95 105.19 107.20 3k23 n GLY 706 Ca 0.00 -0.42 -0.05 0.00 0.00 0.00 0.00 46.02 45.56 3k23 n GLY 706 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 3k23 h ASN 707 N 0.00 -0.35 0.00 1.61 -0.00 -1.93 -3.48 115.58 111.43 3k23 h ASN 707 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 56.30 56.33 3k23 h ASN 707 Cb 0.54 0.11 0.00 0.00 -0.00 0.00 0.00 38.32 38.97 3k23 h ASN 707 CO 0.00 -0.18 0.00 -1.54 -0.00 0.00 0.00 177.43 175.71 3k23 n SER 708 N -3.07 3.42 0.16 1.15 3.41 -1.26 -4.88 113.62 112.55 3k23 n SER 708 Ca -0.03 0.00 0.07 0.00 -0.26 0.00 0.00 58.87 58.65 3k23 n SER 708 Cb 0.12 0.00 0.39 0.00 -0.26 0.00 0.00 64.21 64.46 3k23 n SER 708 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3k23 n SER 709 N 0.00 0.37 -0.32 4.04 3.41 -1.26 -1.48 113.62 118.38 3k23 n SER 709 Ca 0.00 0.59 0.19 0.00 -0.26 0.00 0.00 58.87 59.38 3k23 n SER 709 Cb 0.00 -0.56 0.39 0.00 -0.26 0.00 0.00 64.21 63.78 3k23 n SER 709 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 3k23 h GLN 710 N 0.00 0.36 0.15 4.33 4.20 -1.96 -0.63 115.11 121.56 3k23 h GLN 710 Ca 0.00 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 3k23 h GLN 710 Cb 0.48 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.18 3k23 h GLN 710 CO 0.00 0.24 -0.07 -0.91 -0.67 0.00 0.00 178.83 177.41 3k23 h ASN 711 N 0.37 -0.17 -0.30 1.46 2.35 -1.63 -1.44 115.58 116.22 3k23 h ASN 711 Ca 0.65 -0.08 0.07 0.00 -0.55 0.00 0.00 56.30 56.39 3k23 h ASN 711 Cb 1.37 0.04 -0.08 0.00 0.05 0.00 0.00 38.32 39.70 3k23 h ASN 711 CO -0.58 -0.03 -0.25 -0.25 -1.65 0.00 0.00 177.43 174.68 3k23 h TRP 712 N -0.31 -0.66 -0.64 1.19 7.01 -1.54 0.08 115.95 121.08 3k23 h TRP 712 Ca -0.02 0.04 0.00 0.00 2.11 0.00 0.00 58.89 61.02 3k23 h TRP 712 Cb 0.24 0.34 -0.03 0.00 -2.10 0.00 0.00 29.16 27.61 3k23 h TRP 712 CO -0.04 -0.32 0.41 0.37 -2.79 0.00 0.00 178.44 176.07 3k23 h GLN 713 N -0.23 0.85 -0.34 2.65 5.75 -1.06 -0.54 115.11 122.19 3k23 h GLN 713 Ca 0.15 -0.06 -0.10 0.00 -0.15 0.00 0.00 58.65 58.50 3k23 h GLN 713 Cb 0.47 -0.19 -0.01 0.00 1.07 0.00 0.00 27.48 28.82 3k23 h GLN 713 CO -0.43 0.58 -0.16 -0.09 -2.65 0.00 0.00 178.83 176.08 3k23 h ARG 714 N 0.87 0.71 -0.41 1.69 2.43 -0.43 -1.62 114.38 117.62 3k23 h ARG 714 Ca 0.23 -0.31 0.01 0.00 -0.81 0.00 0.00 59.98 59.11 3k23 h ARG 714 Cb -0.07 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.43 3k23 h ARG 714 CO -0.05 0.91 0.25 0.35 -1.51 0.00 0.00 179.97 179.93 3k23 h PHE 715 N 0.49 0.48 -0.04 2.20 3.57 -0.33 0.04 116.94 123.34 3k23 h PHE 715 Ca 0.08 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.63 3k23 h PHE 715 Cb 0.70 -0.15 -0.05 0.00 2.79 0.00 0.00 35.95 39.23 3k23 h PHE 715 CO 0.06 0.28 -0.26 -0.92 -2.23 0.00 0.00 178.31 175.24 3k23 h TYR 716 N 0.51 -0.70 -0.15 0.41 3.20 -1.02 -1.15 116.97 118.07 3k23 h TYR 716 Ca 0.16 0.03 -0.13 0.00 3.14 0.00 0.00 58.73 61.92 3k23 h TYR 716 Cb -0.01 0.32 -0.01 0.00 1.54 0.00 0.00 36.73 38.57 3k23 h TYR 716 CO -0.06 -0.35 -0.49 1.96 -1.64 0.00 0.00 178.16 177.58 3k23 h GLN 717 N -0.38 0.39 -0.10 1.82 4.20 -1.00 -0.87 115.11 119.18 3k23 h GLN 717 Ca 0.07 -0.22 -0.03 0.00 0.06 0.00 0.00 58.65 58.53 3k23 h GLN 717 Cb 0.48 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.28 3k23 h GLN 717 CO -0.26 0.79 -0.05 -0.07 -0.67 0.00 0.00 178.83 178.57 3k23 h LEU 718 N 0.31 0.22 -0.95 1.46 3.38 -0.89 -2.39 115.31 116.45 3k23 h LEU 718 Ca 0.02 -0.42 -0.10 0.00 0.09 0.00 0.00 57.88 57.47 3k23 h LEU 718 Cb 0.97 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 3k23 h LEU 718 CO 0.08 0.60 -0.46 0.71 0.09 0.00 0.00 178.44 179.46 3k23 h THR 719 N -0.15 1.15 -0.37 0.22 1.35 -1.12 -1.66 112.91 112.32 3k23 h THR 719 Ca 0.02 -1.69 -0.01 0.00 -0.55 0.00 0.00 66.41 64.18 3k23 h THR 719 Cb 0.52 1.96 -0.02 0.00 -1.73 0.00 0.00 68.15 68.88 3k23 h THR 719 CO 0.02 0.45 0.19 0.50 -0.25 0.00 0.00 175.52 176.43 3k23 h LYS 720 N 0.00 0.53 -0.63 4.72 1.63 -1.16 -1.75 116.57 119.91 3k23 h LYS 720 Ca -0.00 -0.07 0.05 0.00 -0.85 0.00 0.00 60.65 59.78 3k23 h LYS 720 Cb 0.92 -0.10 -0.05 0.00 -0.60 0.00 0.00 32.23 32.40 3k23 h LYS 720 CO 0.06 0.45 0.34 1.25 -3.45 0.00 0.00 179.45 178.10 3k23 h LEU 721 N 0.47 0.50 -0.87 5.20 5.85 -0.85 -0.95 115.31 124.65 3k23 h LEU 721 Ca 0.13 0.03 0.07 0.00 0.84 0.00 0.00 57.88 58.95 3k23 h LEU 721 Cb 0.09 -0.07 -0.07 0.00 0.37 0.00 0.00 40.66 40.99 3k23 h LEU 721 CO -0.02 0.33 0.54 -0.07 -0.34 0.00 0.00 178.44 178.88 3k23 h LEU 722 N 0.64 0.83 -0.34 2.25 3.38 -0.95 -2.10 115.31 119.01 3k23 h LEU 722 Ca 0.28 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.27 3k23 h LEU 722 Cb 0.17 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 3k23 h LEU 722 CO -0.17 0.52 0.20 0.44 0.09 0.00 0.00 178.44 179.52 3k23 h ASP 723 N 0.96 0.42 -0.45 -0.43 3.32 -0.32 -2.07 116.42 117.85 3k23 h ASP 723 Ca 0.39 -0.06 0.12 0.00 0.02 0.00 0.00 57.03 57.49 3k23 h ASP 723 Cb 0.22 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 3k23 h ASP 723 CO -0.19 0.36 0.32 0.77 -1.72 0.00 0.00 179.24 178.78 3k23 h SER 724 N 0.44 0.08 -0.89 6.45 4.64 -0.65 -0.39 113.55 123.23 3k23 h SER 724 Ca 0.12 0.00 0.23 0.00 -0.47 0.00 0.00 61.79 61.68 3k23 h SER 724 Cb 0.02 -0.01 -0.13 0.00 -0.31 0.00 0.00 62.40 61.97 3k23 h SER 724 CO -0.02 0.05 0.36 0.24 -0.87 0.00 0.00 176.83 176.58 3k23 h MET 725 N 0.09 0.32 -0.25 4.77 2.86 -0.87 -1.29 114.93 120.57 3k23 h MET 725 Ca 0.21 -0.02 0.06 0.00 -2.06 0.00 0.00 59.70 57.90 3k23 h MET 725 Cb 0.74 -0.07 -0.08 0.00 0.06 0.00 0.00 31.60 32.25 3k23 h MET 725 CO -0.02 0.21 -0.33 0.45 1.06 0.00 0.00 176.91 178.28 3k23 h HIS 726 N 0.33 -0.93 -0.27 -0.22 3.86 -1.17 0.07 115.15 116.84 3k23 h HIS 726 Ca 0.57 0.05 -0.03 0.00 -1.16 0.00 0.00 60.37 59.79 3k23 h HIS 726 Cb 1.12 0.44 -0.01 0.00 1.06 0.00 0.00 27.41 30.02 3k23 h HIS 726 CO -0.17 -0.40 0.03 1.49 0.86 0.00 0.00 177.93 179.74 3k23 h GLU 727 N -0.34 0.39 -0.18 2.45 4.57 -1.46 -2.70 114.58 117.31 3k23 h GLU 727 Ca 0.13 -0.06 -0.10 0.00 -1.18 0.00 0.00 59.36 58.14 3k23 h GLU 727 Cb 0.55 -0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 29.07 3k23 h GLU 727 CO -0.44 0.40 -0.29 0.28 -1.18 0.00 0.00 179.01 177.78 3k23 h VAL 728 N 0.39 1.34 -0.25 0.32 2.07 -0.36 -3.19 116.25 116.56 3k23 h VAL 728 Ca 0.09 -1.52 -0.10 0.00 0.82 0.00 0.00 66.70 66.00 3k23 h VAL 728 Cb 0.22 1.88 -0.01 0.00 -1.52 0.00 0.00 31.29 31.86 3k23 h VAL 728 CO 0.00 0.46 -0.26 0.58 0.02 0.00 0.00 177.57 178.38 3k23 h VAL 729 N 0.17 1.27 0.03 2.57 2.07 -0.91 -2.00 116.25 119.44 3k23 h VAL 729 Ca 0.01 -1.27 0.01 0.00 0.82 0.00 0.00 66.70 66.27 3k23 h VAL 729 Cb 0.88 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.99 3k23 h VAL 729 CO 0.07 0.40 -0.06 -0.08 0.02 0.00 0.00 177.57 177.92 3k23 h GLU 730 N 0.43 -0.11 -0.06 1.57 4.81 -1.54 1.52 114.58 121.20 3k23 h GLU 730 Ca 0.06 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.28 3k23 h GLU 730 Cb 0.67 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.07 3k23 h GLU 730 CO 0.05 -0.07 -0.06 -0.91 -0.73 0.00 0.00 179.01 177.29 3k23 h ASN 731 N -0.12 0.07 0.70 1.04 -0.26 -1.47 -1.62 115.58 113.92 3k23 h ASN 731 Ca 0.02 -0.01 -0.26 0.00 -0.56 0.00 0.00 56.30 55.49 3k23 h ASN 731 Cb 0.13 -0.02 -0.00 0.00 -1.06 0.00 0.00 38.32 37.37 3k23 h ASN 731 CO -0.04 0.15 -1.18 -0.07 -1.06 0.00 0.00 177.43 175.23 3k23 h LEU 732 N 0.08 0.34 -0.70 1.61 3.38 -0.55 -3.24 115.31 116.22 3k23 h LEU 732 Ca 0.02 -0.36 -0.13 0.00 0.09 0.00 0.00 57.88 57.50 3k23 h LEU 732 Cb 0.16 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3k23 h LEU 732 CO 0.01 1.27 -0.44 -0.07 0.09 0.00 0.00 178.44 179.30 3k23 h LEU 733 N 0.06 0.51 0.11 1.67 3.38 0.30 -2.56 115.31 118.78 3k23 h LEU 733 Ca -0.11 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.63 3k23 h LEU 733 Cb 1.91 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 42.52 3k23 h LEU 733 CO 0.19 0.88 -0.05 0.78 0.09 0.00 0.00 178.44 180.32 3k23 h ASN 734 N 0.39 -0.13 -0.77 -0.43 2.35 -1.45 -1.60 115.58 113.93 3k23 h ASN 734 Ca 0.03 -0.33 0.18 0.00 -0.55 0.00 0.00 56.30 55.63 3k23 h ASN 734 Cb 0.93 0.03 -0.13 0.00 0.05 0.00 0.00 38.32 39.21 3k23 h ASN 734 CO 0.08 0.28 0.12 0.22 -1.65 0.00 0.00 177.43 176.49 3k23 h TYR 735 N -0.57 0.17 -0.79 1.19 3.20 -1.58 0.69 116.97 119.27 3k23 h TYR 735 Ca -0.02 0.05 0.02 0.00 3.14 0.00 0.00 58.73 61.92 3k23 h TYR 735 Cb 0.45 0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.73 3k23 h TYR 735 CO 0.06 -0.17 0.52 0.00 -1.64 0.00 0.00 178.16 176.92 3k23 h PHE 737 N 1.04 0.44 -0.94 0.00 0.04 0.17 -1.01 116.94 116.69 3k23 h PHE 737 Ca 0.30 -0.13 0.10 0.00 2.80 0.00 0.00 57.97 61.04 3k23 h PHE 737 Cb -0.07 -0.10 -0.08 0.00 2.20 0.00 0.00 35.95 37.91 3k23 h PHE 737 CO -0.02 0.74 0.58 1.96 -0.60 0.00 0.00 178.31 180.96 3k23 h GLN 738 N 0.02 0.93 -0.46 1.51 1.08 0.64 0.96 115.11 119.79 3k23 h GLN 738 Ca 0.03 -0.06 -0.12 0.00 -1.45 0.00 0.00 58.65 57.05 3k23 h GLN 738 Cb 0.65 -0.21 -0.01 0.00 -0.05 0.00 0.00 27.48 27.86 3k23 h GLN 738 CO 0.03 0.62 -0.18 1.15 -0.95 0.00 0.00 178.83 179.50 3k23 h THR 739 N 0.96 1.27 -0.12 -0.54 2.02 -0.75 0.44 112.91 116.19 3k23 h THR 739 Ca 0.44 -1.33 -0.03 0.00 0.77 0.00 0.00 66.41 66.27 3k23 h THR 739 Cb 0.36 1.16 -0.00 0.00 -1.74 0.00 0.00 68.15 67.93 3k23 h THR 739 CO -0.24 0.46 -0.04 0.15 0.37 0.00 0.00 175.52 176.22 3k23 h PHE 740 N 0.78 0.27 0.13 3.16 3.57 0.46 -2.27 116.94 123.04 3k23 h PHE 740 Ca 0.11 -0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 3k23 h PHE 740 Cb 0.75 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.42 3k23 h PHE 740 CO 0.05 0.56 -0.06 -0.07 -2.23 0.00 0.00 178.31 176.55 3k23 h LEU 741 N -0.09 -0.15 -1.80 0.59 -0.00 0.76 -3.32 115.31 111.31 3k23 h LEU 741 Ca 0.03 0.01 0.06 0.00 -0.00 0.00 0.00 57.88 57.98 3k23 h LEU 741 Cb 0.47 0.04 -0.01 0.00 -0.00 0.00 0.00 40.66 41.16 3k23 h LEU 741 CO 0.01 0.23 0.47 -0.78 -0.00 0.00 0.00 178.44 178.37 3k23 h ASP 742 N -0.85 0.00 -2.70 -0.43 1.82 -1.05 -3.51 116.42 109.71 3k23 h ASP 742 Ca -0.02 0.00 -0.54 0.00 -0.39 0.00 0.00 57.03 56.08 3k23 h ASP 742 Cb 0.14 0.00 0.01 0.00 0.68 0.00 0.00 39.33 40.15 3k23 h ASP 742 CO 0.03 0.00 1.00 -0.54 -1.61 0.00 0.00 179.24 178.12 3k23 s LYS 743 N -4.31 4.21 0.00 0.28 -0.14 -0.85 -4.88 119.74 114.04 3k23 s LYS 743 Ca -0.03 2.21 0.00 0.00 -1.36 0.00 0.00 55.97 56.78 3k23 s LYS 743 Cb 0.11 -3.75 0.00 0.00 -1.68 0.00 0.00 37.83 32.51 3k23 s LYS 743 CO 0.37 -0.75 0.00 -0.12 -0.76 0.00 0.00 175.35 174.09 3k23 n MET 745 N 6.18 0.00 -1.56 1.68 1.56 -1.26 -5.03 117.12 118.69 3k23 n MET 745 Ca 0.16 0.00 -0.54 0.00 -0.27 0.00 0.00 57.70 57.05 3k23 n MET 745 Cb 0.42 -0.14 -0.06 0.00 2.15 0.00 0.00 33.22 35.58 3k23 n MET 745 CO 0.00 0.00 0.00 0.43 -0.73 0.00 0.00 175.97 175.67 3k23 n SER 746 N -0.85 1.12 -3.66 6.12 7.64 -1.26 -4.98 113.62 117.76 3k23 n SER 746 Ca 0.00 1.13 -0.12 0.00 1.01 0.00 0.00 58.87 60.90 3k23 n SER 746 Cb 0.00 -1.12 -0.08 0.00 -1.01 0.00 0.00 64.21 62.01 3k23 n SER 746 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 3k23 s ILE 747 N 0.27 -0.00 -0.02 0.44 2.07 -1.26 -5.02 121.20 117.68 3k23 s ILE 747 Ca 0.85 0.01 -0.28 0.00 -1.41 0.00 0.00 60.65 59.82 3k23 s ILE 747 Cb -1.03 -0.89 -0.03 0.00 0.13 0.00 0.00 42.46 40.64 3k23 s ILE 747 CO 0.50 0.00 0.89 -1.83 -1.91 0.00 0.00 174.94 172.60 3k23 s GLU 748 N 0.81 4.52 0.02 3.50 4.04 -1.26 -5.06 118.70 125.28 3k23 s GLU 748 Ca -0.04 1.25 0.05 0.00 0.04 0.00 0.00 54.97 56.27 3k23 s GLU 748 Cb -0.05 -3.45 -0.02 0.00 0.02 0.00 0.00 34.13 30.63 3k23 s GLU 748 CO -0.06 -0.01 -0.14 -0.06 -1.84 0.00 0.00 175.26 173.15 3k23 s PHE 749 N 0.93 1.21 0.68 4.83 0.40 -1.26 -4.59 117.98 120.17 3k23 s PHE 749 Ca 0.47 -0.31 -0.09 0.00 -0.60 0.00 0.00 56.93 56.40 3k23 s PHE 749 Cb -0.20 -0.73 0.02 0.00 0.51 0.00 0.00 43.02 42.62 3k23 s PHE 749 CO 0.25 0.02 1.04 -1.25 0.70 0.00 0.00 175.22 175.97 3k23 s PRO 750 N -0.89 2.72 0.07 0.24 0.04 -1.26 -4.91 135.00 131.00 3k23 s PRO 750 Ca 0.03 0.21 -0.35 0.00 0.04 0.00 0.00 61.00 60.92 3k23 s PRO 750 Cb -0.07 -2.11 -0.18 0.00 0.04 0.00 0.00 34.50 32.18 3k23 s PRO 750 CO 0.01 -1.01 1.54 0.93 0.04 0.00 0.00 177.00 178.51 3k23 h GLU 751 N -0.54 -1.10 -0.83 4.56 5.08 -1.99 -2.43 114.58 117.33 3k23 h GLU 751 Ca -0.45 0.07 0.21 0.00 -1.00 0.00 0.00 59.36 58.19 3k23 h GLU 751 Cb 1.27 0.25 -0.14 0.00 0.50 0.00 0.00 28.75 30.63 3k23 h GLU 751 CO 0.63 -0.73 0.13 1.98 -1.00 0.00 0.00 179.01 180.02 3k23 h MET 752 N -1.14 0.16 -0.06 2.33 4.05 -1.94 -0.83 114.93 117.50 3k23 h MET 752 Ca -0.10 -0.01 -0.05 0.00 -0.28 0.00 0.00 59.70 59.27 3k23 h MET 752 Cb 0.92 -0.04 0.00 0.00 -0.80 0.00 0.00 31.60 31.69 3k23 h MET 752 CO 0.07 0.10 -0.14 -0.07 0.23 0.00 0.00 176.91 177.11 3k23 h LEU 753 N 0.16 0.23 -0.40 3.39 3.38 -1.89 -2.87 115.31 117.31 3k23 h LEU 753 Ca 0.50 -0.57 0.08 0.00 0.09 0.00 0.00 57.88 57.97 3k23 h LEU 753 Cb 0.95 -0.07 -0.09 0.00 0.09 0.00 0.00 40.66 41.54 3k23 h LEU 753 CO -0.67 0.76 -0.32 0.00 0.09 0.00 0.00 178.44 178.30 3k23 h ALA 754 N 0.48 -0.17 0.37 1.53 0.00 -0.66 0.57 119.26 121.37 3k23 h ALA 754 Ca 0.00 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3k23 h ALA 754 Cb 0.73 0.70 -0.02 0.00 0.00 0.00 0.00 17.79 19.20 3k23 h ALA 754 CO 0.03 -0.72 -0.38 0.93 0.00 0.00 0.00 179.25 179.11 3k23 h GLU 755 N -0.25 -0.72 -0.69 0.00 5.08 -1.45 0.32 114.58 116.88 3k23 h GLU 755 Ca 0.17 0.05 0.14 0.00 -1.00 0.00 0.00 59.36 58.72 3k23 h GLU 755 Cb 0.54 0.16 -0.10 0.00 0.50 0.00 0.00 28.75 29.85 3k23 h GLU 755 CO -0.54 -0.48 0.17 0.82 -1.00 0.00 0.00 179.01 177.98 3k23 h ILE 756 N -0.74 0.58 0.74 3.13 2.04 -1.20 0.48 117.51 122.54 3k23 h ILE 756 Ca -0.05 -0.10 -0.03 0.00 1.00 0.00 0.00 64.86 65.68 3k23 h ILE 756 Cb 0.65 0.27 0.00 0.00 -0.74 0.00 0.00 36.82 36.99 3k23 h ILE 756 CO -0.05 0.05 -0.39 0.40 0.00 0.00 0.00 178.15 178.16 3k23 h ILE 757 N 0.29 0.00 -0.79 -0.67 2.04 0.41 -0.46 117.51 118.32 3k23 h ILE 757 Ca 0.38 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.40 3k23 h ILE 757 Cb 0.60 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.63 3k23 h ILE 757 CO -0.46 0.00 0.53 0.74 0.00 0.00 0.00 178.15 178.96 3k23 h THR 758 N -1.04 0.75 0.00 -0.27 2.02 0.45 -0.89 112.91 113.93 3k23 h THR 758 Ca -0.10 -0.13 -0.15 0.00 0.77 0.00 0.00 66.41 66.80 3k23 h THR 758 Cb 0.81 0.34 -0.02 0.00 -1.74 0.00 0.00 68.15 67.54 3k23 h THR 758 CO 0.14 0.07 -0.72 -1.13 0.37 0.00 0.00 175.52 174.25 3k23 h ASN 759 N 0.38 0.00 0.51 4.18 -0.73 0.09 -3.34 115.58 116.67 3k23 h ASN 759 Ca 0.39 0.00 -0.29 0.00 1.87 0.00 0.00 56.30 58.27 3k23 h ASN 759 Cb 0.97 0.00 -0.05 0.00 0.27 0.00 0.00 38.32 39.51 3k23 h ASN 759 CO -0.12 0.72 -1.69 1.56 -0.37 0.00 0.00 177.43 177.53 3k23 h GLN 760 N 0.00 0.00 -0.76 6.67 1.08 0.27 -3.39 115.11 118.98 3k23 h GLN 760 Ca -0.01 0.00 0.17 0.00 -1.45 0.00 0.00 58.65 57.37 3k23 h GLN 760 Cb 1.46 0.00 -0.12 0.00 -0.05 0.00 0.00 27.48 28.77 3k23 h GLN 760 CO 0.09 0.50 0.16 0.82 -0.95 0.00 0.00 178.83 179.46 3k23 h ILE 761 N 0.00 0.45 0.00 2.54 2.04 -1.46 0.56 117.51 121.65 3k23 h ILE 761 Ca -0.28 -0.08 -0.06 0.00 1.00 0.00 0.00 64.86 65.44 3k23 h ILE 761 Cb 2.00 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 38.27 3k23 h ILE 761 CO 0.08 0.04 -0.31 -0.65 0.00 0.00 0.00 178.15 177.32 3k23 h PRO 762 N 0.24 0.00 0.01 2.37 0.11 -1.78 0.23 132.00 133.17 3k23 h PRO 762 Ca 0.44 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.55 3k23 h PRO 762 Cb 0.78 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.89 3k23 h PRO 762 CO -0.56 0.31 -0.00 -0.22 -0.21 0.00 0.00 178.00 177.31 3k23 h LYS 763 N 0.00 -0.01 -0.38 1.05 3.64 -0.31 -2.08 116.57 118.48 3k23 h LYS 763 Ca -0.00 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.39 3k23 h LYS 763 Cb 0.76 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.56 3k23 h LYS 763 CO 0.04 0.71 0.24 -0.92 -2.27 0.00 0.00 179.45 177.25 3k23 h TYR 764 N -0.75 0.45 0.00 1.91 3.20 -0.24 -2.87 116.97 118.67 3k23 h TYR 764 Ca -0.00 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.85 3k23 h TYR 764 Cb 0.73 -0.15 -0.00 0.00 1.54 0.00 0.00 36.73 38.84 3k23 h TYR 764 CO 0.18 0.28 -0.15 0.77 -1.64 0.00 0.00 178.16 177.60 3k23 h SER 765 N 0.49 0.00 0.22 -2.11 0.02 -0.54 -2.85 113.55 108.77 3k23 h SER 765 Ca 0.14 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 3k23 h SER 765 Cb -0.04 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.50 3k23 h SER 765 CO -0.04 0.15 -0.76 0.59 -1.14 0.00 0.00 176.83 175.63 3k23 n ASN 766 N -4.20 0.81 0.00 3.07 4.13 -0.78 -4.96 115.26 113.33 3k23 n ASN 766 Ca -0.02 -0.69 0.00 0.00 1.68 0.00 0.00 54.58 55.55 3k23 n ASN 766 Cb 0.23 0.65 0.00 0.00 -1.54 0.00 0.00 39.78 39.12 3k23 n ASN 766 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3k23 n GLY 767 N 1.49 0.50 0.00 7.41 0.00 -1.08 -4.92 105.19 108.59 3k23 n GLY 767 Ca 0.05 -0.37 0.02 0.00 0.00 0.00 0.00 46.02 45.73 3k23 n GLY 767 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3k23 n ASN 768 N 0.67 0.00 -4.83 1.61 0.23 -1.10 -4.69 115.26 107.14 3k23 n ASN 768 Ca 0.00 0.17 -0.38 0.00 -0.53 0.00 0.00 54.58 53.84 3k23 n ASN 768 Cb 0.00 -0.25 -0.06 0.00 -2.08 0.00 0.00 39.78 37.39 3k23 n ASN 768 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 3k23 s ILE 769 N -2.50 5.03 -0.24 1.53 1.01 -1.26 -1.53 121.20 123.23 3k23 s ILE 769 Ca 0.05 0.84 0.02 0.00 0.00 0.00 0.00 60.65 61.56 3k23 s ILE 769 Cb 0.03 -3.71 0.06 0.00 0.01 0.00 0.00 42.46 38.85 3k23 s ILE 769 CO 0.07 0.57 -0.08 -0.75 0.00 0.00 0.00 174.94 174.75 3k23 s LYS 770 N -1.05 1.96 -0.38 2.79 2.20 -0.32 -4.82 119.74 120.12 3k23 s LYS 770 Ca 0.24 -1.15 -0.28 0.00 -0.36 0.00 0.00 55.97 54.42 3k23 s LYS 770 Cb -0.17 -2.72 0.02 0.00 -1.51 0.00 0.00 37.83 33.45 3k23 s LYS 770 CO 0.13 -0.57 1.04 0.15 -0.36 0.00 0.00 175.35 175.75 3k23 s LYS 771 N 1.25 3.90 0.10 4.03 1.02 -1.26 -2.11 119.74 126.67 3k23 s LYS 771 Ca -0.07 0.77 -0.30 0.00 0.02 0.00 0.00 55.97 56.39 3k23 s LYS 771 Cb -0.19 -3.80 -0.06 0.00 -0.52 0.00 0.00 37.83 33.25 3k23 s LYS 771 CO -0.06 -1.05 1.20 -0.51 -0.92 0.00 0.00 175.35 174.02 3k23 s LEU 772 N 3.81 4.39 0.16 3.17 1.43 -0.63 -5.01 118.68 126.00 3k23 s LEU 772 Ca 0.44 2.08 0.08 0.00 -1.03 0.00 0.00 54.13 55.69 3k23 s LEU 772 Cb -0.11 -3.59 -0.04 0.00 0.03 0.00 0.00 46.19 42.48 3k23 s LEU 772 CO 0.21 -0.44 -0.16 -0.76 0.23 0.00 0.00 176.35 175.42 3k23 s LEU 773 N 0.71 2.45 0.29 1.79 1.43 -1.26 -4.82 118.68 119.27 3k23 s LEU 773 Ca 0.57 -0.88 0.17 0.00 -1.03 0.00 0.00 54.13 52.96 3k23 s LEU 773 Cb -0.30 -0.73 0.10 0.00 0.03 0.00 0.00 46.19 45.29 3k23 s LEU 773 CO 0.31 -0.09 1.39 -0.26 0.23 0.00 0.00 176.35 177.94 3k23 h PHE 774 N 3.17 0.00 -2.32 0.29 0.04 -1.97 -3.39 116.94 112.77 3k23 h PHE 774 Ca -0.41 0.00 -0.59 0.00 2.80 0.00 0.00 57.97 59.77 3k23 h PHE 774 Cb 1.21 0.00 -0.41 0.00 2.20 0.00 0.00 35.95 38.95 3k23 h PHE 774 CO 0.68 0.36 -0.77 0.72 -0.60 0.00 0.00 178.31 178.70 3k23 n HIS 775 N -3.13 1.97 1.84 -0.55 8.25 -1.26 -5.08 115.22 117.27 3k23 n HIS 775 Ca 0.01 -3.93 0.15 0.00 -0.26 0.00 0.00 57.72 53.70 3k23 n HIS 775 Cb 0.69 -0.42 0.82 0.00 1.12 0.00 0.00 29.99 32.19 3k23 n HIS 775 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02