#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lb1 h GLU 625 N 0.00 0.40 -0.52 3.44 4.81 -2.06 -2.92 114.58 117.74 1lb1 h GLU 625 Ca 0.00 -0.29 0.13 0.00 -0.13 0.00 0.00 59.36 59.07 1lb1 h GLU 625 Cb 0.00 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 1lb1 h GLU 625 CO 0.00 0.90 0.36 0.93 -0.73 0.00 0.00 179.01 180.48 1lb1 h GLU 626 N -0.03 0.11 0.63 1.92 3.07 -2.02 -1.87 114.58 116.39 1lb1 h GLU 626 Ca -0.01 -0.01 -0.03 0.00 -0.50 0.00 0.00 59.36 58.82 1lb1 h GLU 626 Cb 0.92 -0.02 0.01 0.00 -0.84 0.00 0.00 28.75 28.81 1lb1 h GLU 626 CO 0.07 0.07 -0.30 1.49 -1.40 0.00 0.00 179.01 178.94 1lb1 h GLU 627 N 0.11 -0.81 -0.67 2.33 4.57 -1.97 -2.92 114.58 115.22 1lb1 h GLU 627 Ca 0.25 0.06 -0.04 0.00 -1.18 0.00 0.00 59.36 58.44 1lb1 h GLU 627 Cb 0.83 0.18 -0.03 0.00 -0.16 0.00 0.00 28.75 29.57 1lb1 h GLU 627 CO -0.03 -0.54 0.27 0.66 -1.18 0.00 0.00 179.01 178.19 1lb1 h SER 628 N -0.85 0.90 -0.29 1.04 4.64 -1.28 -2.76 113.55 114.94 1lb1 h SER 628 Ca -0.09 -0.12 -0.04 0.00 -0.47 0.00 0.00 61.79 61.07 1lb1 h SER 628 Cb 0.65 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 62.48 1lb1 h SER 628 CO 0.14 0.80 0.07 -0.07 -0.87 0.00 0.00 176.83 176.90 1lb1 h LEU 629 N 0.96 0.52 -1.01 5.97 3.38 -1.43 0.39 115.31 124.09 1lb1 h LEU 629 Ca 0.23 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 58.06 1lb1 h LEU 629 Cb 0.19 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1lb1 h LEU 629 CO -0.02 0.54 -0.27 0.00 0.09 0.00 0.00 178.44 178.78 1lb1 h ALA 630 N 1.53 1.00 -0.07 1.53 0.00 -1.29 0.44 119.26 122.40 1lb1 h ALA 630 Ca 0.13 -0.25 -0.12 0.00 0.00 0.00 0.00 54.91 54.66 1lb1 h ALA 630 Cb 0.25 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.00 1lb1 h ALA 630 CO 0.00 0.34 -0.44 0.82 0.00 0.00 0.00 179.25 179.98 1lb1 h ILE 631 N 0.00 1.40 -0.15 0.00 1.08 -0.95 -2.49 117.51 116.40 1lb1 h ILE 631 Ca -0.00 -1.83 -0.09 0.00 -0.39 0.00 0.00 64.86 62.56 1lb1 h ILE 631 Cb 0.81 2.32 -0.01 0.00 -3.07 0.00 0.00 36.82 36.87 1lb1 h ILE 631 CO 0.04 0.54 -0.29 -0.07 -0.69 0.00 0.00 178.15 177.67 1lb1 h LEU 632 N -0.04 0.29 -1.14 1.44 3.38 -0.70 -1.24 115.31 117.29 1lb1 h LEU 632 Ca -0.03 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 57.77 1lb1 h LEU 632 Cb 1.10 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 1lb1 h LEU 632 CO 0.09 0.58 -0.15 0.03 0.09 0.00 0.00 178.44 179.08 1lb1 h ARG 633 N 0.26 0.42 -0.36 1.13 3.08 -0.90 -1.79 114.38 116.23 1lb1 h ARG 633 Ca 0.04 -0.12 -0.06 0.00 0.07 0.00 0.00 59.98 59.90 1lb1 h ARG 633 Cb 0.65 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.64 1lb1 h ARG 633 CO 0.05 0.57 -0.01 -0.09 -1.07 0.00 0.00 179.97 179.41 1lb1 h ARG 634 N 0.39 0.64 -0.03 0.04 9.65 -0.84 -1.73 114.38 122.50 1lb1 h ARG 634 Ca 0.07 -0.21 -0.00 0.00 -1.10 0.00 0.00 59.98 58.74 1lb1 h ARG 634 Cb 0.50 -0.05 -0.00 0.00 -1.39 0.00 0.00 29.97 29.02 1lb1 h ARG 634 CO 0.03 0.76 0.02 0.45 2.80 0.00 0.00 179.97 184.03 1lb1 h HIS 635 N 0.45 0.05 -1.00 2.20 3.86 -0.84 -0.60 115.15 119.26 1lb1 h HIS 635 Ca 0.10 -0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.32 1lb1 h HIS 635 Cb 0.48 -0.01 -0.05 0.00 1.06 0.00 0.00 27.41 28.89 1lb1 h HIS 635 CO 0.04 0.13 0.66 0.28 0.86 0.00 0.00 177.93 179.90 1lb1 h VAL 636 N -0.05 1.25 -0.31 2.45 2.07 -1.32 -0.35 116.25 119.99 1lb1 h VAL 636 Ca 0.01 -0.46 -0.07 0.00 0.82 0.00 0.00 66.70 66.99 1lb1 h VAL 636 Cb 0.10 -0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 29.63 1lb1 h VAL 636 CO -0.00 0.25 -0.12 -0.03 0.02 0.00 0.00 177.57 177.68 1lb1 h MET 637 N 1.35 0.54 0.08 1.57 -1.53 -1.04 -0.87 114.93 115.02 1lb1 h MET 637 Ca 0.37 -0.16 -0.00 0.00 -3.44 0.00 0.00 59.70 56.47 1lb1 h MET 637 Cb -0.14 -0.06 0.00 0.00 -0.55 0.00 0.00 31.60 30.85 1lb1 h MET 637 CO -0.08 0.65 -0.04 -0.91 0.14 0.00 0.00 176.91 176.67 1lb1 h ASN 638 N 0.50 -0.09 -0.64 1.39 2.35 -0.02 -1.87 115.58 117.20 1lb1 h ASN 638 Ca 0.09 -0.39 0.02 0.00 -0.55 0.00 0.00 56.30 55.48 1lb1 h ASN 638 Cb 0.51 0.02 -0.03 0.00 0.05 0.00 0.00 38.32 38.86 1lb1 h ASN 638 CO 0.03 0.36 0.42 -0.08 -1.65 0.00 0.00 177.43 176.51 1lb1 h GLU 639 N -0.55 0.77 0.10 0.81 4.81 -1.00 0.23 114.58 119.74 1lb1 h GLU 639 Ca -0.01 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1lb1 h GLU 639 Cb 0.47 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.68 1lb1 h GLU 639 CO 0.02 0.51 -0.05 1.25 -0.73 0.00 0.00 179.01 180.01 1lb1 h LEU 640 N 0.79 -0.11 -0.57 1.64 5.85 -1.05 -0.63 115.31 121.23 1lb1 h LEU 640 Ca 0.25 -0.01 -0.13 0.00 0.84 0.00 0.00 57.88 58.83 1lb1 h LEU 640 Cb 0.02 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 1lb1 h LEU 640 CO -0.06 -0.07 -0.29 -0.07 -0.34 0.00 0.00 178.44 177.60 1lb1 h LEU 641 N -0.14 0.86 0.33 2.25 4.07 -0.65 -1.90 115.31 120.13 1lb1 h LEU 641 Ca -0.01 -0.35 -0.02 0.00 0.08 0.00 0.00 57.88 57.59 1lb1 h LEU 641 Cb 0.11 -0.24 0.00 0.00 1.08 0.00 0.00 40.66 41.62 1lb1 h LEU 641 CO 0.02 1.09 -0.16 0.44 -1.08 0.00 0.00 178.44 178.75 1lb1 h ASP 642 N 0.70 -0.38 -0.39 -0.43 3.32 -0.49 -1.83 116.42 116.92 1lb1 h ASP 642 Ca 0.08 -0.17 0.03 0.00 0.02 0.00 0.00 57.03 56.99 1lb1 h ASP 642 Cb 0.84 0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.47 1lb1 h ASP 642 CO 0.07 0.01 0.26 0.71 -1.72 0.00 0.00 179.24 178.57 1lb1 h THR 643 N -0.82 1.03 -0.32 0.35 1.35 -1.19 -1.26 112.91 112.05 1lb1 h THR 643 Ca -0.05 -0.14 -0.03 0.00 -0.55 0.00 0.00 66.41 65.64 1lb1 h THR 643 Cb 0.52 0.57 -0.01 0.00 -1.73 0.00 0.00 68.15 67.50 1lb1 h THR 643 CO 0.08 0.08 0.07 -0.08 -0.25 0.00 0.00 175.52 175.41 1lb1 h GLU 644 N 0.42 0.53 -0.48 4.72 4.57 -1.24 0.19 114.58 123.28 1lb1 h GLU 644 Ca 0.16 -0.13 -0.03 0.00 -1.18 0.00 0.00 59.36 58.18 1lb1 h GLU 644 Cb 0.12 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.63 1lb1 h GLU 644 CO -0.04 0.60 0.19 0.00 -1.18 0.00 0.00 179.01 178.59 1lb1 h ARG 645 N 0.36 0.72 -0.69 1.92 3.08 -0.65 -1.01 114.38 118.13 1lb1 h ARG 645 Ca 0.10 -0.13 -0.04 0.00 0.07 0.00 0.00 59.98 59.97 1lb1 h ARG 645 Cb 0.32 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.22 1lb1 h ARG 645 CO 0.00 0.65 0.26 0.00 -1.07 0.00 0.00 179.97 179.81 1lb1 h ALA 646 N 1.04 0.89 -0.51 0.04 0.00 -1.12 0.18 119.26 119.78 1lb1 h ALA 646 Ca 0.16 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.89 1lb1 h ALA 646 Cb 0.20 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1lb1 h ALA 646 CO -0.01 0.53 0.33 -0.92 0.00 0.00 0.00 179.25 179.18 1lb1 h TYR 647 N 0.98 0.63 -0.61 0.00 3.20 -0.25 0.12 116.97 121.04 1lb1 h TYR 647 Ca 0.23 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 62.02 1lb1 h TYR 647 Cb 0.23 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.27 1lb1 h TYR 647 CO 0.02 0.39 0.01 0.28 -1.64 0.00 0.00 178.16 177.21 1lb1 h VAL 648 N 0.67 1.27 0.35 1.81 2.07 -0.78 -2.15 116.25 119.49 1lb1 h VAL 648 Ca 0.19 -1.15 -0.02 0.00 0.82 0.00 0.00 66.70 66.55 1lb1 h VAL 648 Cb -0.06 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 1lb1 h VAL 648 CO -0.05 0.42 -0.17 -0.33 0.02 0.00 0.00 177.57 177.46 1lb1 h GLU 649 N 0.97 -0.45 -0.98 1.57 5.08 -0.51 -2.34 114.58 117.90 1lb1 h GLU 649 Ca 0.17 0.03 0.12 0.00 -1.00 0.00 0.00 59.36 58.69 1lb1 h GLU 649 Cb 0.55 0.10 -0.09 0.00 0.50 0.00 0.00 28.75 29.82 1lb1 h GLU 649 CO 0.03 -0.23 0.61 0.93 -1.00 0.00 0.00 179.01 179.35 1lb1 h GLU 650 N -0.60 0.93 -0.02 2.33 5.08 -0.73 0.18 114.58 121.76 1lb1 h GLU 650 Ca -0.05 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1lb1 h GLU 650 Cb 0.44 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 1lb1 h GLU 650 CO 0.08 0.61 0.00 -0.07 -1.00 0.00 0.00 179.01 178.64 1lb1 h LEU 651 N 0.96 0.03 -0.75 1.33 3.38 -1.29 -2.53 115.31 116.44 1lb1 h LEU 651 Ca 0.49 -0.27 0.07 0.00 0.09 0.00 0.00 57.88 58.25 1lb1 h LEU 651 Cb 0.50 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.18 1lb1 h LEU 651 CO -0.27 0.30 0.43 0.25 0.09 0.00 0.00 178.44 179.24 1lb1 h LEU 652 N -0.23 0.65 -0.97 1.67 5.85 -0.84 0.08 115.31 121.52 1lb1 h LEU 652 Ca 0.01 0.03 0.17 0.00 0.84 0.00 0.00 57.88 58.93 1lb1 h LEU 652 Cb 0.28 -0.10 -0.10 0.00 0.37 0.00 0.00 40.66 41.11 1lb1 h LEU 652 CO 0.00 0.41 0.57 0.00 -0.34 0.00 0.00 178.44 179.08 1lb1 h VAL 654 N 0.75 1.28 0.00 0.00 2.07 -0.89 -0.88 116.25 118.58 1lb1 h VAL 654 Ca 0.54 -2.87 -0.01 0.00 0.82 0.00 0.00 66.70 65.18 1lb1 h VAL 654 Cb 0.80 2.85 -0.00 0.00 -1.52 0.00 0.00 31.29 33.42 1lb1 h VAL 654 CO -0.37 0.84 -0.06 -0.07 0.02 0.00 0.00 177.57 177.93 1lb1 h LEU 655 N 0.08 0.00 0.00 2.57 3.38 -0.36 -1.83 115.31 119.15 1lb1 h LEU 655 Ca -0.21 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.51 1lb1 h LEU 655 Cb 2.02 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.73 1lb1 h LEU 655 CO 0.19 0.06 -1.92 -0.62 0.09 0.00 0.00 178.44 176.24 1lb1 n GLU 656 N -3.31 0.39 0.07 1.13 1.02 -0.59 -1.70 120.64 117.65 1lb1 n GLU 656 Ca -0.01 0.11 0.11 0.00 -0.02 0.00 0.00 57.16 57.35 1lb1 n GLU 656 Cb 0.24 -1.28 0.45 0.00 -0.02 0.00 0.00 31.44 30.83 1lb1 n GLU 656 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1lb1 n GLY 657 N 2.58 -1.32 1.64 0.62 0.00 -0.34 -3.30 105.19 105.06 1lb1 n GLY 657 Ca -0.29 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.72 1lb1 n GLY 657 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1lb1 n TYR 658 N -1.92 -1.12 -0.04 1.61 4.02 -0.73 -4.73 117.16 114.25 1lb1 n TYR 658 Ca 0.04 0.20 -0.09 0.00 -0.01 0.00 0.00 57.90 58.04 1lb1 n TYR 658 Cb 0.27 0.35 -0.02 0.00 -0.02 0.00 0.00 39.34 39.92 1lb1 n TYR 658 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1lb1 h ALA 659 N 0.00 0.19 -0.09 -0.72 0.00 -1.56 -2.49 119.26 114.59 1lb1 h ALA 659 Ca 0.00 0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 1lb1 h ALA 659 Cb 0.00 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1lb1 h ALA 659 CO 0.00 -0.42 -0.48 0.00 0.00 0.00 0.00 179.25 178.35 1lb1 h ALA 660 N 1.17 1.02 0.00 0.00 0.00 -1.44 -2.73 119.26 117.28 1lb1 h ALA 660 Ca 0.10 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1lb1 h ALA 660 Cb 0.11 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1lb1 h ALA 660 CO -0.15 0.64 0.00 0.93 0.00 0.00 0.00 179.25 180.67 1lb1 h GLU 661 N 0.19 0.00 0.00 0.00 4.39 -1.45 -2.15 114.58 115.56 1lb1 h GLU 661 Ca 0.01 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.70 1lb1 h GLU 661 Cb 0.92 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.56 1lb1 h GLU 661 CO 0.07 0.00 -0.05 0.52 -1.16 0.00 0.00 179.01 178.39 1lb1 h MET 662 N 0.00 0.00 -0.32 2.33 2.86 -1.14 -2.46 114.93 116.21 1lb1 h MET 662 Ca 0.00 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.60 1lb1 h MET 662 Cb 0.22 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.86 1lb1 h MET 662 CO 0.00 0.05 0.01 -0.25 1.06 0.00 0.00 176.91 177.78 1lb1 n ASP 663 N -3.19 3.88 -4.56 1.22 8.00 -0.81 -4.87 116.55 116.22 1lb1 n ASP 663 Ca 0.00 -3.12 -0.40 0.00 0.71 0.00 0.00 54.79 51.99 1lb1 n ASP 663 Cb 0.31 -0.58 -0.10 0.00 -0.02 0.00 0.00 41.12 40.73 1lb1 n ASP 663 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1lb1 s ASN 664 N -1.89 6.13 0.23 -2.24 3.04 -0.93 -4.98 114.94 114.31 1lb1 s ASN 664 Ca 0.44 -0.13 -0.07 0.00 0.04 0.00 0.00 52.86 53.14 1lb1 s ASN 664 Cb 0.36 -2.17 0.40 0.00 -1.54 0.00 0.00 41.25 38.30 1lb1 s ASN 664 CO 0.08 -0.23 1.67 -0.65 -3.04 0.00 0.00 177.10 174.94 1lb1 h PRO 665 N 8.40 0.18 0.00 0.43 0.11 -1.92 0.51 132.00 139.71 1lb1 h PRO 665 Ca -0.32 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1lb1 h PRO 665 Cb 1.16 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1lb1 h PRO 665 CO 0.64 0.12 0.10 1.28 -0.21 0.00 0.00 178.00 179.93 1lb1 n LEU 666 N -5.23 0.07 -0.00 2.35 4.77 -1.26 -1.26 117.00 116.44 1lb1 n LEU 666 Ca 0.12 0.45 0.03 0.00 -0.03 0.00 0.00 56.01 56.59 1lb1 n LEU 666 Cb 0.43 -0.45 -0.05 0.00 -2.33 0.00 0.00 43.42 41.01 1lb1 n LEU 666 CO 0.11 -0.48 -0.50 0.23 -1.33 0.00 0.00 177.39 175.42 1lb1 n MET 667 N -1.53 0.85 0.13 3.23 2.81 0.13 -4.70 117.12 118.04 1lb1 n MET 667 Ca -0.00 -0.05 0.16 0.00 -1.81 0.00 0.00 57.70 55.99 1lb1 n MET 667 Cb 0.10 -1.11 0.47 0.00 -0.71 0.00 0.00 33.22 31.98 1lb1 n MET 667 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1lb1 h ALA 668 N 0.65 2.14 -0.00 3.04 0.00 -0.67 0.50 119.26 124.92 1lb1 h ALA 668 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1lb1 h ALA 668 Cb 0.28 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1lb1 h ALA 668 CO 0.00 -0.98 -0.02 -2.39 0.00 0.00 0.00 179.25 175.85 1lb1 n HIS 669 N -3.06 0.00 0.38 0.00 1.44 -1.26 -3.13 115.22 109.59 1lb1 n HIS 669 Ca 0.08 0.00 0.04 0.00 -2.01 0.00 0.00 57.72 55.83 1lb1 n HIS 669 Cb 0.92 -0.15 0.01 0.00 0.12 0.00 0.00 29.99 30.89 1lb1 n HIS 669 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1lb1 n LEU 670 N -1.04 1.25 -4.02 2.39 4.77 0.17 -5.00 117.00 115.52 1lb1 n LEU 670 Ca 0.18 -0.81 -0.22 0.00 -0.03 0.00 0.00 56.01 55.12 1lb1 n LEU 670 Cb 0.21 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.14 1lb1 n LEU 670 CO 0.21 0.25 -0.45 -0.51 -1.33 0.00 0.00 177.39 175.56 1lb1 s ILE 671 N -1.13 0.97 0.86 -0.08 2.07 -1.18 -3.32 121.20 119.38 1lb1 s ILE 671 Ca 0.08 -0.43 -0.13 0.00 -1.41 0.00 0.00 60.65 58.76 1lb1 s ILE 671 Cb 0.07 -0.87 0.11 0.00 0.13 0.00 0.00 42.46 41.91 1lb1 s ILE 671 CO 0.19 0.30 1.18 -0.94 -1.91 0.00 0.00 174.94 173.76 1lb1 s SER 672 N 0.34 3.99 0.19 4.50 1.04 -1.26 -4.88 113.70 117.63 1lb1 s SER 672 Ca -0.07 0.80 0.04 0.00 0.48 0.00 0.00 55.95 57.20 1lb1 s SER 672 Cb -0.11 -1.28 0.10 0.00 0.10 0.00 0.00 66.02 64.82 1lb1 s SER 672 CO 0.02 -2.23 1.45 0.74 0.98 0.00 0.00 173.24 174.19 1lb1 h THR 673 N -1.28 1.47 0.25 2.02 2.02 -1.99 -2.99 112.91 112.41 1lb1 h THR 673 Ca -0.47 -2.41 -0.01 0.00 0.77 0.00 0.00 66.41 64.28 1lb1 h THR 673 Cb 1.32 2.31 0.00 0.00 -1.74 0.00 0.00 68.15 70.05 1lb1 h THR 673 CO 0.62 0.70 -0.12 1.23 0.37 0.00 0.00 175.52 178.32 1lb1 h GLY 674 N 1.78 -0.36 0.94 2.16 0.00 -2.00 -2.39 103.07 103.20 1lb1 h GLY 674 Ca -0.03 0.13 0.02 0.00 0.00 0.00 0.00 47.33 47.46 1lb1 h GLY 674 CO 0.12 -0.13 0.61 -2.00 0.00 0.00 0.00 176.54 175.14 1lb1 h LEU 675 N -0.35 1.04 -1.78 3.11 5.85 -1.96 -2.09 115.31 119.13 1lb1 h LEU 675 Ca -0.03 -0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.69 1lb1 h LEU 675 Cb 0.27 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 1lb1 h LEU 675 CO 0.06 0.73 0.20 -0.61 -0.34 0.00 0.00 178.44 178.48 1lb1 h GLN 676 N 1.22 0.29 0.03 1.25 4.15 -1.34 -1.83 115.11 118.88 1lb1 h GLN 676 Ca 0.36 -0.02 -0.23 0.00 0.77 0.00 0.00 58.65 59.53 1lb1 h GLN 676 Cb -0.06 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 27.54 1lb1 h GLN 676 CO -0.10 0.19 -1.06 -0.91 -1.93 0.00 0.00 178.83 175.02 1lb1 h ASN 677 N 0.30 0.11 0.00 -0.69 -0.26 -0.88 -3.19 115.58 110.97 1lb1 h ASN 677 Ca 0.12 -0.12 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1lb1 h ASN 677 Cb 0.12 -0.04 0.00 0.00 -1.06 0.00 0.00 38.32 37.34 1lb1 h ASN 677 CO -0.03 1.09 0.00 0.29 -1.06 0.00 0.00 177.43 177.73 1lb1 n LYS 678 N -3.40 0.85 -0.35 0.81 4.01 -0.70 -4.11 118.16 115.28 1lb1 n LYS 678 Ca -0.02 0.00 0.11 0.00 -0.51 0.00 0.00 58.31 57.89 1lb1 n LYS 678 Cb 0.96 -1.03 0.30 0.00 -0.51 0.00 0.00 35.03 34.75 1lb1 n LYS 678 CO 0.00 0.00 0.00 -0.22 -1.11 0.00 0.00 177.40 176.07 1lb1 h LYS 679 N 0.01 0.82 -0.06 1.97 3.64 -1.52 -0.79 116.57 120.64 1lb1 h LYS 679 Ca 0.00 -0.05 -0.11 0.00 -1.27 0.00 0.00 60.65 59.22 1lb1 h LYS 679 Cb 0.03 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.65 1lb1 h LYS 679 CO 0.00 0.54 -0.48 -0.91 -2.27 0.00 0.00 179.45 176.34 1lb1 h ASN 680 N 0.84 0.15 -0.28 4.20 -0.26 -1.88 -1.40 115.58 116.95 1lb1 h ASN 680 Ca 0.54 -0.07 -0.13 0.00 -0.56 0.00 0.00 56.30 56.08 1lb1 h ASN 680 Cb 0.74 -0.04 -0.00 0.00 -1.06 0.00 0.00 38.32 37.95 1lb1 h ASN 680 CO -0.32 0.61 -0.33 0.40 -1.06 0.00 0.00 177.43 176.72 1lb1 h ILE 681 N 0.11 1.30 -0.35 2.81 5.03 -1.49 0.29 117.51 125.22 1lb1 h ILE 681 Ca 0.00 -1.52 -0.05 0.00 -0.12 0.00 0.00 64.86 63.18 1lb1 h ILE 681 Cb 0.89 1.62 -0.01 0.00 -3.03 0.00 0.00 36.82 36.28 1lb1 h ILE 681 CO 0.07 0.49 0.03 0.25 -0.68 0.00 0.00 178.15 178.30 1lb1 h LEU 682 N 0.47 0.58 0.00 1.44 5.85 -1.11 -3.31 115.31 119.23 1lb1 h LEU 682 Ca 0.04 -0.29 0.00 0.00 0.84 0.00 0.00 57.88 58.47 1lb1 h LEU 682 Cb 0.92 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.79 1lb1 h LEU 682 CO 0.08 0.72 -1.02 0.49 -0.34 0.00 0.00 178.44 178.37 1lb1 n PHE 683 N -4.54 0.04 -3.83 1.25 3.01 -0.54 -4.86 117.46 107.99 1lb1 n PHE 683 Ca -0.02 0.01 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1lb1 n PHE 683 Cb 0.25 -0.16 0.00 0.00 -0.01 0.00 0.00 39.48 39.56 1lb1 n PHE 683 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1lb1 n GLY 684 N 1.45 2.67 2.26 1.37 0.00 0.10 -1.96 105.19 111.09 1lb1 n GLY 684 Ca 0.03 -0.34 -0.32 0.00 0.00 0.00 0.00 46.02 45.39 1lb1 n GLY 684 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1lb1 n ASN 685 N 0.51 7.00 -0.30 1.61 2.04 -1.26 -4.69 115.26 120.17 1lb1 n ASN 685 Ca 0.00 -3.77 0.05 0.00 -0.44 0.00 0.00 54.58 50.41 1lb1 n ASN 685 Cb 0.00 -0.87 0.19 0.00 -2.53 0.00 0.00 39.78 36.57 1lb1 n ASN 685 CO 0.00 0.00 0.00 -0.03 -0.44 0.00 0.00 177.26 176.79 1lb1 h MET 686 N 1.95 0.72 -0.48 -3.83 4.05 -1.80 -1.58 114.93 113.96 1lb1 h MET 686 Ca 0.57 -0.04 0.01 0.00 -0.28 0.00 0.00 59.70 59.95 1lb1 h MET 686 Cb 1.05 -0.16 -0.02 0.00 -0.80 0.00 0.00 31.60 31.66 1lb1 h MET 686 CO 1.43 0.47 0.31 1.49 0.23 0.00 0.00 176.91 180.85 1lb1 h GLU 687 N 0.74 0.62 -0.55 0.39 4.81 -1.84 0.19 114.58 118.94 1lb1 h GLU 687 Ca 0.43 -0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.68 1lb1 h GLU 687 Cb 0.48 -0.14 -0.05 0.00 0.63 0.00 0.00 28.75 29.67 1lb1 h GLU 687 CO -0.29 0.41 0.27 1.49 -0.73 0.00 0.00 179.01 180.16 1lb1 h GLU 688 N 0.64 0.50 -0.67 1.92 4.81 -1.69 -1.11 114.58 118.98 1lb1 h GLU 688 Ca 0.18 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.34 1lb1 h GLU 688 Cb -0.06 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.17 1lb1 h GLU 688 CO -0.04 0.33 0.29 0.82 -0.73 0.00 0.00 179.01 179.67 1lb1 h ILE 689 N 0.51 1.24 -0.56 2.32 2.04 -0.64 -2.46 117.51 119.96 1lb1 h ILE 689 Ca 0.25 -0.71 -0.01 0.00 1.00 0.00 0.00 64.86 65.39 1lb1 h ILE 689 Cb 0.19 0.45 -0.03 0.00 -0.74 0.00 0.00 36.82 36.70 1lb1 h ILE 689 CO -0.19 0.29 0.33 0.22 0.00 0.00 0.00 178.15 178.79 1lb1 h TYR 690 N 0.94 0.75 -0.76 1.37 3.20 -0.03 -2.38 116.97 120.07 1lb1 h TYR 690 Ca 0.23 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.03 1lb1 h TYR 690 Cb 0.18 -0.24 -0.03 0.00 1.54 0.00 0.00 36.73 38.17 1lb1 h TYR 690 CO 0.01 0.53 0.26 0.45 -1.64 0.00 0.00 178.16 177.78 1lb1 h HIS 691 N 0.75 1.19 0.04 -3.82 3.86 -1.00 0.97 115.15 117.13 1lb1 h HIS 691 Ca 0.20 -0.10 0.01 0.00 -1.16 0.00 0.00 60.37 59.31 1lb1 h HIS 691 Cb 0.01 -0.35 -0.01 0.00 1.06 0.00 0.00 27.41 28.12 1lb1 h HIS 691 CO -0.02 0.92 -0.06 0.35 0.86 0.00 0.00 177.93 179.98 1lb1 h PHE 692 N 1.12 -0.16 -0.20 2.45 3.57 -1.15 0.27 116.94 122.83 1lb1 h PHE 692 Ca 0.25 0.00 -0.16 0.00 3.53 0.00 0.00 57.97 61.59 1lb1 h PHE 692 Cb 0.27 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.07 1lb1 h PHE 692 CO 0.02 -0.10 -0.53 0.45 -2.23 0.00 0.00 178.31 175.93 1lb1 h HIS 693 N -0.13 0.73 -0.02 0.41 3.86 -1.29 0.39 115.15 119.10 1lb1 h HIS 693 Ca 0.01 -0.25 -0.25 0.00 -1.16 0.00 0.00 60.37 58.72 1lb1 h HIS 693 Cb 0.14 -0.14 0.02 0.00 1.06 0.00 0.00 27.41 28.49 1lb1 h HIS 693 CO -0.11 0.99 -0.97 -0.97 0.86 0.00 0.00 177.93 177.72 1lb1 h ASN 694 N 0.46 0.89 0.65 2.45 -0.00 -0.69 -0.93 115.58 118.40 1lb1 h ASN 694 Ca 0.01 -0.73 -0.23 0.00 -0.00 0.00 0.00 56.30 55.36 1lb1 h ASN 694 Cb 1.07 -0.27 -0.04 0.00 -0.00 0.00 0.00 38.32 39.08 1lb1 h ASN 694 CO 0.10 1.50 -1.49 0.03 -0.00 0.00 0.00 177.43 177.57 1lb1 h ARG 695 N 0.37 0.00 0.00 6.67 3.08 -0.54 -3.44 114.38 120.52 1lb1 h ARG 695 Ca -0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.93 1lb1 h ARG 695 Cb 1.63 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.68 1lb1 h ARG 695 CO 0.19 0.44 0.00 -0.89 -1.07 0.00 0.00 179.97 178.65 1lb1 n ILE 696 N -3.01 0.66 -0.31 2.04 5.41 0.04 -4.80 119.36 119.39 1lb1 n ILE 696 Ca -0.12 0.22 -0.05 0.00 1.00 0.00 0.00 62.75 63.80 1lb1 n ILE 696 Cb 0.95 -1.20 0.08 0.00 -0.71 0.00 0.00 39.64 38.75 1lb1 n ILE 696 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 176.55 176.70 1lb1 h PHE 697 N 0.00 1.18 -0.36 1.39 3.57 -1.39 -1.70 116.94 119.63 1lb1 h PHE 697 Ca 0.00 -0.04 -0.11 0.00 3.53 0.00 0.00 57.97 61.35 1lb1 h PHE 697 Cb 0.00 -0.37 -0.01 0.00 2.79 0.00 0.00 35.95 38.35 1lb1 h PHE 697 CO 0.00 0.83 -0.23 1.25 -2.23 0.00 0.00 178.31 177.93 1lb1 h LEU 698 N 1.18 0.71 -0.75 0.59 5.85 -1.42 -1.22 115.31 120.25 1lb1 h LEU 698 Ca 0.29 -0.25 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 1lb1 h LEU 698 Cb 0.06 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.86 1lb1 h LEU 698 CO -0.04 0.92 0.39 -0.09 -0.34 0.00 0.00 178.44 179.28 1lb1 h ARG 699 N 0.61 1.05 0.00 1.25 2.43 -1.71 -2.34 114.38 115.68 1lb1 h ARG 699 Ca 0.09 -0.13 -0.15 0.00 -0.81 0.00 0.00 59.98 58.98 1lb1 h ARG 699 Cb 0.72 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 30.05 1lb1 h ARG 699 CO 0.06 0.80 -0.70 0.93 -1.51 0.00 0.00 179.97 179.55 1lb1 h GLU 700 N 1.04 0.00 -0.16 0.20 5.08 -1.10 -3.11 114.58 116.53 1lb1 h GLU 700 Ca 0.26 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.48 1lb1 h GLU 700 Cb 0.06 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1lb1 h GLU 700 CO -0.04 0.70 -0.49 -0.07 -1.00 0.00 0.00 179.01 178.11 1lb1 h LEU 701 N 0.00 0.45 -1.12 1.33 3.38 -0.98 -2.99 115.31 115.38 1lb1 h LEU 701 Ca -0.01 -0.22 -0.09 0.00 0.09 0.00 0.00 57.88 57.66 1lb1 h LEU 701 Cb 1.36 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.97 1lb1 h LEU 701 CO 0.09 0.86 -0.36 -0.33 0.09 0.00 0.00 178.44 178.79 1lb1 h GLU 702 N 0.33 0.13 0.00 1.13 5.08 -1.40 -2.12 114.58 117.73 1lb1 h GLU 702 Ca 0.02 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1lb1 h GLU 702 Cb 0.98 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.22 1lb1 h GLU 702 CO 0.09 0.49 0.00 -1.13 -1.00 0.00 0.00 179.01 177.45 1lb1 n SER 703 N -4.08 0.00 -0.74 1.42 3.41 -1.13 -1.47 113.62 111.03 1lb1 n SER 703 Ca -0.02 0.06 0.07 0.00 -0.26 0.00 0.00 58.87 58.73 1lb1 n SER 703 Cb 0.43 -0.26 0.16 0.00 -0.26 0.00 0.00 64.21 64.27 1lb1 n SER 703 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1lb1 h ILE 705 N 2.62 0.84 0.00 0.00 6.09 -1.33 -2.41 117.51 123.32 1lb1 h ILE 705 Ca 0.00 -0.14 -0.06 0.00 -1.37 0.00 0.00 64.86 63.29 1lb1 h ILE 705 Cb 0.74 0.40 0.01 0.00 0.47 0.00 0.00 36.82 38.43 1lb1 h ILE 705 CO 0.00 0.07 -0.24 0.44 -3.07 0.00 0.00 178.15 175.35 1lb1 h ASP 706 N 0.41 0.21 -3.48 2.19 5.19 -1.82 -3.39 116.42 115.72 1lb1 h ASP 706 Ca 0.33 -0.80 -0.66 0.00 -0.62 0.00 0.00 57.03 55.28 1lb1 h ASP 706 Cb 0.72 -0.06 -0.39 0.00 0.18 0.00 0.00 39.33 39.78 1lb1 h ASP 706 CO -0.10 0.98 -0.40 0.00 -3.12 0.00 0.00 179.24 176.60 1lb1 h PRO 708 N 5.93 0.00 0.00 0.00 0.13 -1.68 -2.05 132.00 134.32 1lb1 h PRO 708 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1lb1 h PRO 708 Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 1lb1 h PRO 708 CO 0.76 0.00 0.00 0.93 -0.23 0.00 0.00 178.00 179.46 1lb1 h GLU 709 N 0.00 0.00 -0.29 0.86 3.07 -1.92 -3.13 114.58 113.16 1lb1 h GLU 709 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1lb1 h GLU 709 Cb 0.03 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.94 1lb1 h GLU 709 CO 0.00 0.00 0.00 1.28 -1.40 0.00 0.00 179.01 178.89 1lb1 n LEU 710 N -3.03 1.80 0.28 1.33 4.77 -0.77 -3.97 117.00 117.41 1lb1 n LEU 710 Ca 0.03 -0.86 0.17 0.00 -0.03 0.00 0.00 56.01 55.32 1lb1 n LEU 710 Cb 0.43 -0.19 0.78 0.00 -2.33 0.00 0.00 43.42 42.10 1lb1 n LEU 710 CO 0.31 0.43 1.01 1.62 -1.33 0.00 0.00 177.39 179.43 1lb1 h VAL 711 N 2.08 0.15 -0.47 4.08 3.04 -1.69 -2.43 116.25 121.02 1lb1 h VAL 711 Ca 0.00 -0.48 0.07 0.00 -1.01 0.00 0.00 66.70 65.27 1lb1 h VAL 711 Cb 0.47 1.41 -0.03 0.00 -2.01 0.00 0.00 31.29 31.14 1lb1 h VAL 711 CO 0.00 0.04 0.32 1.23 -1.01 0.00 0.00 177.57 178.15 1lb1 h GLY 712 N 1.45 0.46 2.00 3.17 0.00 -1.85 -1.24 103.07 107.07 1lb1 h GLY 712 Ca -0.00 -0.15 -0.08 0.00 0.00 0.00 0.00 47.33 47.10 1lb1 h GLY 712 CO 0.01 0.11 -0.40 3.21 0.00 0.00 0.00 176.54 179.47 1lb1 h ARG 713 N 0.36 0.00 0.09 4.80 3.08 -1.69 -2.43 114.38 118.59 1lb1 h ARG 713 Ca 0.21 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.25 1lb1 h ARG 713 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.41 1lb1 h ARG 713 CO -0.05 0.40 -0.04 0.00 -1.07 0.00 0.00 179.97 179.21 1lb1 h PHE 715 N -0.25 0.50 -0.90 0.00 -1.00 -1.56 -2.79 116.94 110.95 1lb1 h PHE 715 Ca -0.01 -0.01 0.13 0.00 2.81 0.00 0.00 57.97 60.88 1lb1 h PHE 715 Cb 0.21 -0.16 -0.09 0.00 3.61 0.00 0.00 35.95 39.52 1lb1 h PHE 715 CO -0.03 0.39 0.51 -0.07 -1.61 0.00 0.00 178.31 177.51 1lb1 h LEU 716 N 0.47 0.70 -0.33 1.54 3.38 -1.22 0.55 115.31 120.40 1lb1 h LEU 716 Ca 0.13 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1lb1 h LEU 716 Cb 0.06 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1lb1 h LEU 716 CO -0.02 0.35 0.00 -0.62 0.09 0.00 0.00 178.44 178.24 1lb1 n GLU 717 N -4.75 1.21 0.00 1.13 1.02 -0.45 -3.62 120.64 115.18 1lb1 n GLU 717 Ca 0.17 -0.32 0.00 0.00 -0.02 0.00 0.00 57.16 56.99 1lb1 n GLU 717 Cb 0.38 -1.17 0.00 0.00 -0.02 0.00 0.00 31.44 30.62 1lb1 n GLU 717 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1lb1 n ARG 718 N -0.33 0.46 -0.11 3.49 5.12 0.03 -4.86 116.66 120.47 1lb1 n ARG 718 Ca 0.08 -0.62 0.27 0.00 -1.93 0.00 0.00 57.85 55.65 1lb1 n ARG 718 Cb 0.10 -0.59 0.72 0.00 -1.16 0.00 0.00 32.46 31.53 1lb1 n ARG 718 CO 0.00 0.00 0.00 0.52 -1.93 0.00 0.00 177.63 176.22 1lb1 h MET 719 N 0.00 0.00 -0.01 5.56 2.86 -1.21 -0.61 114.93 121.52 1lb1 h MET 719 Ca 0.00 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1lb1 h MET 719 Cb 0.86 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.52 1lb1 h MET 719 CO 0.00 0.00 -0.04 1.49 1.06 0.00 0.00 176.91 179.42 1lb1 h GLU 720 N 0.00 0.04 -0.71 1.72 4.81 -1.88 -3.20 114.58 115.36 1lb1 h GLU 720 Ca 0.37 -0.03 0.20 0.00 -0.13 0.00 0.00 59.36 59.77 1lb1 h GLU 720 Cb 1.63 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.99 1lb1 h GLU 720 CO -0.00 0.69 0.51 0.93 -0.73 0.00 0.00 179.01 180.41 1lb1 h GLU 721 N -0.60 0.01 0.00 1.92 3.07 -1.49 0.77 114.58 118.26 1lb1 h GLU 721 Ca -0.00 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1lb1 h GLU 721 Cb 0.70 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.61 1lb1 h GLU 721 CO 0.01 0.00 0.00 1.19 -1.40 0.00 0.00 179.01 178.81 1lb1 n PHE 722 N -4.33 0.14 0.31 4.33 3.01 -1.04 -2.75 117.46 117.12 1lb1 n PHE 722 Ca 0.14 0.05 0.18 0.00 1.01 0.00 0.00 57.45 58.83 1lb1 n PHE 722 Cb 0.78 -0.58 0.98 0.00 -0.01 0.00 0.00 39.48 40.64 1lb1 n PHE 722 CO 0.00 0.00 0.00 1.96 1.01 0.00 0.00 176.76 179.73 1lb1 h GLN 723 N 0.00 0.00 0.00 -1.08 1.08 -0.95 -1.98 115.11 112.18 1lb1 h GLN 723 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1lb1 h GLN 723 Cb 0.29 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.72 1lb1 h GLN 723 CO 0.00 0.03 0.00 -0.84 -0.95 0.00 0.00 178.83 177.07 1lb1 h ILE 724 N 0.00 0.00 0.00 2.54 3.07 -1.72 -1.85 117.51 119.55 1lb1 h ILE 724 Ca -0.00 -0.06 -0.01 0.00 1.55 0.00 0.00 64.86 66.33 1lb1 h ILE 724 Cb 0.14 0.92 -0.00 0.00 -0.27 0.00 0.00 36.82 37.61 1lb1 h ILE 724 CO 0.00 0.00 -0.06 1.88 -1.05 0.00 0.00 178.15 178.92 1lb1 h TYR 725 N 0.00 0.00 -0.32 0.16 -1.99 -1.63 -3.03 116.97 110.16 1lb1 h TYR 725 Ca 0.00 0.00 -0.08 0.00 2.00 0.00 0.00 58.73 60.65 1lb1 h TYR 725 Cb 0.07 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.79 1lb1 h TYR 725 CO 0.00 0.06 -0.11 1.49 -0.00 0.00 0.00 178.16 179.61 1lb1 h GLU 726 N 0.00 0.64 -0.78 4.88 4.81 -1.54 -1.91 114.58 120.67 1lb1 h GLU 726 Ca -0.00 -0.26 -0.02 0.00 -0.13 0.00 0.00 59.36 58.95 1lb1 h GLU 726 Cb 0.58 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.90 1lb1 h GLU 726 CO 0.01 0.83 0.40 -0.22 -0.73 0.00 0.00 179.01 179.30 1lb1 h LYS 727 N 0.41 1.11 -0.33 1.92 3.64 -1.69 -1.25 116.57 120.37 1lb1 h LYS 727 Ca 0.08 -0.14 -0.08 0.00 -1.27 0.00 0.00 60.65 59.23 1lb1 h LYS 727 Cb 0.61 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 1lb1 h LYS 727 CO 0.04 0.83 -0.12 -0.92 -2.27 0.00 0.00 179.45 177.01 1lb1 h TYR 728 N 1.11 0.77 -0.37 1.91 3.20 -1.49 -2.67 116.97 119.42 1lb1 h TYR 728 Ca 0.27 -0.18 -0.13 0.00 3.14 0.00 0.00 58.73 61.83 1lb1 h TYR 728 Cb 0.07 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.15 1lb1 h TYR 728 CO 0.01 0.86 -0.28 0.00 -1.64 0.00 0.00 178.16 177.12 1lb1 h GLN 730 N 0.65 0.08 0.00 0.00 4.20 -1.25 -2.35 115.11 116.44 1lb1 h GLN 730 Ca 0.07 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.76 1lb1 h GLN 730 Cb 0.85 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.62 1lb1 h GLN 730 CO 0.07 0.24 -0.80 -0.97 -0.67 0.00 0.00 178.83 176.71 1lb1 h ASN 731 N 0.08 0.00 -0.73 1.46 -0.73 -1.38 -3.38 115.58 110.89 1lb1 h ASN 731 Ca 0.02 -0.06 0.13 0.00 1.87 0.00 0.00 56.30 58.26 1lb1 h ASN 731 Cb 0.32 0.00 -0.09 0.00 0.27 0.00 0.00 38.32 38.82 1lb1 h ASN 731 CO 0.02 0.03 0.30 0.50 -0.37 0.00 0.00 177.43 177.91 1lb1 h LYS 732 N 0.00 0.45 0.00 6.67 1.63 -0.68 0.44 116.57 125.08 1lb1 h LYS 732 Ca 0.00 -0.03 -0.03 0.00 -0.85 0.00 0.00 60.65 59.74 1lb1 h LYS 732 Cb 0.93 -0.10 -0.00 0.00 -0.60 0.00 0.00 32.23 32.46 1lb1 h LYS 732 CO 0.00 0.30 -0.15 -1.00 -3.45 0.00 0.00 179.45 175.15 1lb1 h PRO 733 N 0.46 0.00 -0.29 1.90 0.13 -1.74 0.29 132.00 132.75 1lb1 h PRO 733 Ca 0.39 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.43 1lb1 h PRO 733 Cb 0.56 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.69 1lb1 h PRO 733 CO -0.38 0.15 -0.19 -0.09 -0.23 0.00 0.00 178.00 177.26 1lb1 h ARG 734 N 0.00 0.64 -0.60 0.86 2.43 -1.21 -2.02 114.38 114.48 1lb1 h ARG 734 Ca -0.00 -0.30 -0.07 0.00 -0.81 0.00 0.00 59.98 58.80 1lb1 h ARG 734 Cb 0.28 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.80 1lb1 h ARG 734 CO 0.02 0.89 0.11 1.03 -1.51 0.00 0.00 179.97 180.51 1lb1 h SER 735 N 0.38 0.93 -0.58 -3.80 0.87 -0.36 -2.33 113.55 108.67 1lb1 h SER 735 Ca 0.06 -0.25 0.05 0.00 -1.23 0.00 0.00 61.79 60.42 1lb1 h SER 735 Cb 0.73 -0.25 -0.05 0.00 -0.44 0.00 0.00 62.40 62.40 1lb1 h SER 735 CO 0.05 0.95 0.30 -0.08 -0.53 0.00 0.00 176.83 177.52 1lb1 h GLU 736 N 0.88 0.55 -0.51 2.24 4.81 -0.30 0.13 114.58 122.38 1lb1 h GLU 736 Ca 0.18 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.35 1lb1 h GLU 736 Cb 0.40 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 1lb1 h GLU 736 CO 0.01 0.37 0.20 0.77 -0.73 0.00 0.00 179.01 179.62 1lb1 h SER 737 N 0.57 0.71 0.16 1.04 0.02 -1.16 -2.39 113.55 112.51 1lb1 h SER 737 Ca 0.26 -0.18 -0.01 0.00 -0.84 0.00 0.00 61.79 61.02 1lb1 h SER 737 Cb 0.17 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.52 1lb1 h SER 737 CO -0.17 0.70 -0.08 0.25 -1.14 0.00 0.00 176.83 176.38 1lb1 h LEU 738 N 0.69 -0.19 -1.35 5.07 5.85 -0.86 -2.74 115.31 121.78 1lb1 h LEU 738 Ca 0.17 -0.07 0.21 0.00 0.84 0.00 0.00 57.88 59.03 1lb1 h LEU 738 Cb 0.21 0.05 -0.08 0.00 0.37 0.00 0.00 40.66 41.21 1lb1 h LEU 738 CO -0.01 -0.05 0.62 -0.25 -0.34 0.00 0.00 178.44 178.41 1lb1 h TRP 739 N -0.31 0.70 -0.40 1.25 2.91 -0.65 0.19 115.95 119.64 1lb1 h TRP 739 Ca -0.02 0.02 -0.03 0.00 1.13 0.00 0.00 58.89 59.98 1lb1 h TRP 739 Cb 0.25 -0.21 -0.02 0.00 -0.51 0.00 0.00 29.16 28.66 1lb1 h TRP 739 CO -0.04 0.16 0.10 -0.09 -1.03 0.00 0.00 178.44 177.54 1lb1 h ARG 740 N 0.51 0.59 0.00 2.65 2.43 -1.12 0.76 114.38 120.20 1lb1 h ARG 740 Ca 0.52 -0.10 -0.13 0.00 -0.81 0.00 0.00 59.98 59.46 1lb1 h ARG 740 Cb 1.15 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.57 1lb1 h ARG 740 CO -0.25 0.54 -1.04 1.96 -1.51 0.00 0.00 179.97 179.67 1lb1 h GLN 741 N 0.58 0.00 -0.10 0.20 4.20 -0.58 -3.39 115.11 116.02 1lb1 h GLN 741 Ca 0.13 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.84 1lb1 h GLN 741 Cb 0.22 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.00 1lb1 h GLN 741 CO -0.00 0.34 0.00 0.00 -0.67 0.00 0.00 178.83 178.50 1lb1 h SER 743 N 0.89 1.08 0.07 0.00 4.64 -1.05 -2.01 113.55 117.18 1lb1 h SER 743 Ca 0.00 -0.18 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 1lb1 h SER 743 Cb 0.46 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1lb1 h SER 743 CO 0.00 0.97 0.00 -0.90 -0.87 0.00 0.00 176.83 176.03 1lb1 n ASP 744 N -4.27 0.00 -4.75 4.97 5.75 -1.26 -4.72 116.55 112.27 1lb1 n ASP 744 Ca 0.07 -0.50 -0.41 0.00 -0.01 0.00 0.00 54.79 53.93 1lb1 n ASP 744 Cb 0.20 -0.06 -0.02 0.00 -1.03 0.00 0.00 41.12 40.21 1lb1 n ASP 744 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1lb1 h PRO 746 N 4.83 0.41 -0.15 0.00 0.11 -1.87 -2.94 132.00 132.38 1lb1 h PRO 746 Ca -0.47 -0.02 0.05 0.00 0.11 0.00 0.00 66.00 65.66 1lb1 h PRO 746 Cb 1.22 -0.09 -0.05 0.00 0.11 0.00 0.00 31.00 32.19 1lb1 h PRO 746 CO 0.78 0.27 -0.17 0.35 -0.21 0.00 0.00 178.00 179.02 1lb1 h PHE 747 N 0.42 -0.44 -0.37 0.65 3.57 -1.90 -2.18 116.94 116.70 1lb1 h PHE 747 Ca 0.56 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 62.06 1lb1 h PHE 747 Cb 1.38 0.22 -0.02 0.00 2.79 0.00 0.00 35.95 40.32 1lb1 h PHE 747 CO -0.00 -0.24 0.13 0.74 -2.23 0.00 0.00 178.31 176.70 1lb1 h PHE 748 N -0.21 0.57 -0.58 0.41 -1.00 -1.83 -0.80 116.94 113.51 1lb1 h PHE 748 Ca 0.10 -0.05 0.10 0.00 2.81 0.00 0.00 57.97 60.93 1lb1 h PHE 748 Cb 0.36 -0.17 -0.03 0.00 3.61 0.00 0.00 35.95 39.71 1lb1 h PHE 748 CO -0.29 0.54 0.39 1.96 -1.61 0.00 0.00 178.31 179.30 1lb1 h GLN 749 N 0.44 0.36 0.01 1.51 4.20 -1.60 0.32 115.11 120.36 1lb1 h GLN 749 Ca 0.12 -0.02 -0.11 0.00 0.06 0.00 0.00 58.65 58.70 1lb1 h GLN 749 Cb 0.22 -0.08 0.01 0.00 0.30 0.00 0.00 27.48 27.93 1lb1 h GLN 749 CO -0.01 0.24 -0.43 1.49 -0.67 0.00 0.00 178.83 179.45 1lb1 h GLU 750 N 0.37 0.27 -0.91 1.46 4.57 -0.81 -2.78 114.58 116.74 1lb1 h GLU 750 Ca 0.27 -0.31 -0.01 0.00 -1.18 0.00 0.00 59.36 58.13 1lb1 h GLU 750 Cb 0.58 0.09 -0.04 0.00 -0.16 0.00 0.00 28.75 29.21 1lb1 h GLU 750 CO -0.07 1.03 0.53 0.00 -1.18 0.00 0.00 179.01 179.31 1lb1 h GLN 752 N 1.26 -0.11 -0.24 0.00 4.15 -1.02 -0.23 115.11 118.92 1lb1 h GLN 752 Ca 0.32 0.01 0.06 0.00 0.77 0.00 0.00 58.65 59.81 1lb1 h GLN 752 Cb -0.02 0.02 -0.06 0.00 0.21 0.00 0.00 27.48 27.64 1lb1 h GLN 752 CO -0.06 -0.07 -0.14 -0.22 -1.93 0.00 0.00 178.83 176.41 1lb1 h LYS 753 N -0.11 -0.11 -0.17 1.69 3.64 -1.17 0.24 116.57 120.57 1lb1 h LYS 753 Ca 0.00 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.43 1lb1 h LYS 753 Cb 0.11 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 31.90 1lb1 h LYS 753 CO -0.01 -0.08 -0.14 0.87 -2.27 0.00 0.00 179.45 177.83 1lb1 h LYS 754 N -0.12 -0.14 0.00 1.90 1.57 -0.94 -1.08 116.57 117.76 1lb1 h LYS 754 Ca 0.13 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1lb1 h LYS 754 Cb 0.32 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.66 1lb1 h LYS 754 CO -0.31 -0.10 0.00 -0.07 -0.57 0.00 0.00 179.45 178.40 1lb1 h LEU 755 N -0.15 0.00 -1.63 2.94 3.38 -0.51 -3.47 115.31 115.87 1lb1 h LEU 755 Ca 0.11 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.83 1lb1 h LEU 755 Cb 0.31 0.00 0.12 0.00 0.09 0.00 0.00 40.66 41.17 1lb1 h LEU 755 CO -0.26 0.00 -0.54 -0.67 0.09 0.00 0.00 178.44 177.06 1lb1 n ASP 756 N -3.07 -2.47 -4.68 -0.43 4.64 0.79 -5.01 116.55 106.32 1lb1 n ASP 756 Ca -0.01 -0.43 -0.35 0.00 -1.38 0.00 0.00 54.79 52.62 1lb1 n ASP 756 Cb 0.23 -3.77 -0.09 0.00 -1.04 0.00 0.00 41.12 36.45 1lb1 n ASP 756 CO 0.00 0.00 0.00 -1.00 -0.82 0.00 0.00 177.20 175.38 1lb1 s HIS 757 N -3.25 3.28 -1.04 -0.67 3.76 -1.05 -4.97 115.29 111.35 1lb1 s HIS 757 Ca 0.06 0.15 0.29 0.00 -0.15 0.00 0.00 55.06 55.41 1lb1 s HIS 757 Cb -0.03 -2.00 1.15 0.00 1.11 0.00 0.00 32.58 32.82 1lb1 s HIS 757 CO 0.52 0.30 1.86 1.63 -0.85 0.00 0.00 174.74 178.20 1lb1 n LYS 758 N 3.02 0.04 -4.25 1.40 5.02 -1.26 -4.80 118.16 117.33 1lb1 n LYS 758 Ca -0.17 -0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 55.82 1lb1 n LYS 758 Cb 0.53 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.94 1lb1 n LYS 758 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1lb1 s LEU 759 N -2.97 3.00 0.55 -0.35 1.43 -1.26 -5.14 118.68 113.95 1lb1 s LEU 759 Ca 0.15 -0.45 -0.04 0.00 -1.03 0.00 0.00 54.13 52.76 1lb1 s LEU 759 Cb 0.19 -1.77 0.01 0.00 0.03 0.00 0.00 46.19 44.65 1lb1 s LEU 759 CO 0.55 0.16 0.83 -0.44 0.23 0.00 0.00 176.35 177.68 1lb1 s SER 760 N -2.38 5.61 0.55 2.29 0.01 -1.26 -4.96 113.70 113.56 1lb1 s SER 760 Ca 0.22 0.54 0.37 0.00 1.31 0.00 0.00 55.95 58.39 1lb1 s SER 760 Cb -0.10 -1.58 1.54 0.00 0.21 0.00 0.00 66.02 66.08 1lb1 s SER 760 CO 0.14 -0.99 1.77 0.25 0.41 0.00 0.00 173.24 174.82 1lb1 h LEU 761 N -0.01 0.00 -1.31 2.44 5.85 -2.00 -0.45 115.31 119.82 1lb1 h LEU 761 Ca -0.45 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.25 1lb1 h LEU 761 Cb 1.26 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.27 1lb1 h LEU 761 CO 0.59 0.00 0.23 -2.24 -0.34 0.00 0.00 178.44 176.68 1lb1 h ASP 762 N 0.00 0.63 0.05 1.25 2.03 -1.99 -0.02 116.42 118.37 1lb1 h ASP 762 Ca 0.57 -0.06 -0.10 0.00 -0.73 0.00 0.00 57.03 56.71 1lb1 h ASP 762 Cb 2.35 -0.16 -0.01 0.00 -0.83 0.00 0.00 39.33 40.68 1lb1 h ASP 762 CO -0.01 0.55 -0.32 -1.28 -1.03 0.00 0.00 179.24 177.15 1lb1 h SER 763 N 0.70 0.40 0.65 4.15 0.87 -1.45 -3.09 113.55 115.79 1lb1 h SER 763 Ca 0.18 -0.15 -0.27 0.00 -1.23 0.00 0.00 61.79 60.32 1lb1 h SER 763 Cb 0.09 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 61.94 1lb1 h SER 763 CO -0.02 0.71 -1.21 1.88 -0.53 0.00 0.00 176.83 177.65 1lb1 h TYR 764 N 0.34 0.46 0.00 2.24 -1.99 -1.42 -3.27 116.97 113.33 1lb1 h TYR 764 Ca 0.04 -0.33 0.00 0.00 2.00 0.00 0.00 58.73 60.44 1lb1 h TYR 764 Cb 0.73 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 39.44 1lb1 h TYR 764 CO 0.02 1.25 0.00 1.28 -0.00 0.00 0.00 178.16 180.71 1lb1 n LEU 765 N -3.53 0.51 0.02 3.88 4.77 -0.10 -2.02 117.00 120.54 1lb1 n LEU 765 Ca -0.08 0.66 0.11 0.00 -0.03 0.00 0.00 56.01 56.67 1lb1 n LEU 765 Cb 1.01 -0.63 0.02 0.00 -2.33 0.00 0.00 43.42 41.49 1lb1 n LEU 765 CO 0.53 -0.63 0.01 -0.11 -1.33 0.00 0.00 177.39 175.86 1lb1 n LEU 766 N -2.10 0.62 -0.34 2.23 -0.00 -1.20 -4.46 117.00 111.74 1lb1 n LEU 766 Ca 0.01 -0.04 0.12 0.00 -0.00 0.00 0.00 56.01 56.10 1lb1 n LEU 766 Cb 0.15 -0.10 0.32 0.00 -0.00 0.00 0.00 43.42 43.79 1lb1 n LEU 766 CO 0.15 0.06 1.21 0.11 -0.00 0.00 0.00 177.39 178.91 1lb1 h LYS 767 N 0.00 0.77 -0.32 1.96 1.57 -1.52 0.03 116.57 119.06 1lb1 h LYS 767 Ca 0.00 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.67 1lb1 h LYS 767 Cb 0.71 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.83 1lb1 h LYS 767 CO 0.00 0.51 -0.08 -1.35 -0.57 0.00 0.00 179.45 177.96 1lb1 h PRO 768 N 0.80 0.53 -0.19 3.15 0.11 -1.79 0.21 132.00 134.82 1lb1 h PRO 768 Ca 0.55 -0.14 -0.18 0.00 0.11 0.00 0.00 66.00 66.33 1lb1 h PRO 768 Cb 0.81 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 31.86 1lb1 h PRO 768 CO -0.33 0.62 -0.63 0.28 -0.21 0.00 0.00 178.00 177.73 1lb1 h VAL 769 N 0.50 1.31 -0.21 3.15 2.07 -1.45 -2.10 116.25 119.52 1lb1 h VAL 769 Ca 0.10 -1.88 -0.15 0.00 0.82 0.00 0.00 66.70 65.59 1lb1 h VAL 769 Cb 0.44 1.84 -0.01 0.00 -1.52 0.00 0.00 31.29 32.04 1lb1 h VAL 769 CO 0.02 0.59 -0.49 1.56 0.02 0.00 0.00 177.57 179.27 1lb1 h GLN 770 N 0.49 0.57 0.03 1.57 4.20 -0.65 -3.04 115.11 118.28 1lb1 h GLN 770 Ca -0.01 -0.33 -0.00 0.00 0.06 0.00 0.00 58.65 58.36 1lb1 h GLN 770 Cb 1.21 0.03 0.00 0.00 0.30 0.00 0.00 27.48 29.02 1lb1 h GLN 770 CO 0.12 0.94 -0.01 -0.09 -0.67 0.00 0.00 178.83 179.12 1lb1 h ARG 771 N 0.45 -0.03 -0.23 1.46 9.65 -0.54 -3.06 114.38 122.08 1lb1 h ARG 771 Ca 0.02 0.00 0.06 0.00 -1.10 0.00 0.00 59.98 58.96 1lb1 h ARG 771 Cb 1.03 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 29.60 1lb1 h ARG 771 CO 0.09 0.41 0.17 0.97 2.80 0.00 0.00 179.97 184.41 1lb1 h ILE 772 N -0.49 0.90 -0.52 1.20 6.09 -1.46 -0.87 117.51 122.36 1lb1 h ILE 772 Ca -0.00 -0.01 -0.19 0.00 -1.37 0.00 0.00 64.86 63.29 1lb1 h ILE 772 Cb 0.46 0.86 -0.11 0.00 0.47 0.00 0.00 36.82 38.50 1lb1 h ILE 772 CO 0.01 0.01 0.24 0.35 -3.07 0.00 0.00 178.15 175.68 1lb1 n THR 773 N -4.48 2.14 0.00 2.19 -2.24 -1.15 -3.68 114.28 107.07 1lb1 n THR 773 Ca 0.02 -1.08 0.00 0.00 -2.27 0.00 0.00 64.05 60.72 1lb1 n THR 773 Cb 0.29 -0.53 0.00 0.00 -2.10 0.00 0.00 70.33 67.99 1lb1 n THR 773 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1lb1 n LYS 774 N -0.14 1.78 -0.30 -0.78 4.76 -0.34 -4.77 118.16 118.37 1lb1 n LYS 774 Ca 0.29 0.00 -0.05 0.00 -2.87 0.00 0.00 58.31 55.68 1lb1 n LYS 774 Cb 1.08 -0.83 0.07 0.00 -1.84 0.00 0.00 35.03 33.51 1lb1 n LYS 774 CO 0.00 0.00 0.00 1.88 -1.37 0.00 0.00 177.40 177.91 1lb1 h TYR 775 N 0.00 1.16 -0.57 2.13 0.99 -1.62 -1.57 116.97 117.49 1lb1 h TYR 775 Ca 0.00 -0.05 -0.07 0.00 2.00 0.00 0.00 58.73 60.61 1lb1 h TYR 775 Cb 0.00 -0.36 -0.02 0.00 1.00 0.00 0.00 36.73 37.35 1lb1 h TYR 775 CO 0.00 0.83 0.06 -0.56 -0.00 0.00 0.00 178.16 178.49 1lb1 h GLN 776 N 1.15 0.93 -0.50 4.88 -0.00 -1.86 0.55 115.11 120.25 1lb1 h GLN 776 Ca 0.28 -0.24 -0.00 0.00 -0.00 0.00 0.00 58.65 58.68 1lb1 h GLN 776 Cb 0.10 -0.11 -0.02 0.00 -0.00 0.00 0.00 27.48 27.44 1lb1 h GLN 776 CO -0.04 0.89 0.30 -0.07 -0.00 0.00 0.00 178.83 179.91 1lb1 h LEU 777 N 0.87 0.61 -0.34 0.06 3.38 -1.76 0.18 115.31 118.30 1lb1 h LEU 777 Ca 0.17 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 58.00 1lb1 h LEU 777 Cb 0.43 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1lb1 h LEU 777 CO 0.01 0.49 -0.10 -0.07 0.09 0.00 0.00 178.44 178.87 1lb1 h LEU 778 N 0.67 0.67 -1.05 1.67 3.38 -0.93 -1.87 115.31 117.85 1lb1 h LEU 778 Ca 0.18 -0.37 -0.08 0.00 0.09 0.00 0.00 57.88 57.69 1lb1 h LEU 778 Cb -0.00 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 1lb1 h LEU 778 CO -0.03 0.89 -0.23 -0.07 0.09 0.00 0.00 178.44 179.09 1lb1 h LEU 779 N 0.45 0.40 -0.84 1.67 3.38 -0.72 -0.79 115.31 118.86 1lb1 h LEU 779 Ca 0.08 -0.12 -0.10 0.00 0.09 0.00 0.00 57.88 57.83 1lb1 h LEU 779 Cb 0.61 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 1lb1 h LEU 779 CO 0.04 0.64 -0.23 0.50 0.09 0.00 0.00 178.44 179.47 1lb1 h LYS 780 N 0.37 0.61 -0.23 1.13 3.64 -0.51 -0.70 116.57 120.88 1lb1 h LYS 780 Ca 0.06 -0.23 -0.06 0.00 -1.27 0.00 0.00 60.65 59.14 1lb1 h LYS 780 Cb 0.60 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.38 1lb1 h LYS 780 CO 0.04 0.79 -0.11 1.49 -2.27 0.00 0.00 179.45 179.40 1lb1 h GLU 781 N 0.53 0.47 -0.74 1.90 4.57 -0.85 -1.93 114.58 118.54 1lb1 h GLU 781 Ca 0.08 -0.21 -0.01 0.00 -1.18 0.00 0.00 59.36 58.04 1lb1 h GLU 781 Cb 0.69 -0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 29.23 1lb1 h GLU 781 CO 0.05 0.75 0.42 1.98 -1.18 0.00 0.00 179.01 181.03 1lb1 h MET 782 N 0.19 1.03 -0.22 1.92 4.05 -0.94 -2.54 114.93 118.41 1lb1 h MET 782 Ca 0.05 -0.11 -0.07 0.00 -0.28 0.00 0.00 59.70 59.29 1lb1 h MET 782 Cb 0.60 -0.21 -0.01 0.00 -0.80 0.00 0.00 31.60 31.18 1lb1 h MET 782 CO 0.03 0.75 -0.16 1.25 0.23 0.00 0.00 176.91 179.02 1lb1 h LEU 783 N 1.02 0.37 -1.22 3.39 5.85 -1.04 -2.42 115.31 121.26 1lb1 h LEU 783 Ca 0.26 -0.09 -0.07 0.00 0.84 0.00 0.00 57.88 58.82 1lb1 h LEU 783 Cb 0.01 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 1lb1 h LEU 783 CO -0.04 0.55 -0.20 0.50 -0.34 0.00 0.00 178.44 178.90 1lb1 h LYS 784 N 0.35 0.28 -0.64 1.25 3.64 -0.92 -2.64 116.57 117.90 1lb1 h LYS 784 Ca 0.06 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1lb1 h LYS 784 Cb 0.49 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 1lb1 h LYS 784 CO 0.03 0.49 0.00 0.66 -2.27 0.00 0.00 179.45 178.36 1lb1 n TYR 785 N -4.19 0.85 -1.32 1.91 0.53 -0.97 -4.29 117.16 109.68 1lb1 n TYR 785 Ca -0.01 -0.43 0.05 0.00 -1.02 0.00 0.00 57.90 56.50 1lb1 n TYR 785 Cb 0.34 0.00 0.07 0.00 -1.03 0.00 0.00 39.34 38.71 1lb1 n TYR 785 CO 0.00 0.00 0.00 0.43 -1.02 0.00 0.00 176.86 176.27 1lb1 n SER 786 N 1.42 1.31 -0.38 7.72 7.64 -0.95 -4.72 113.62 125.66 1lb1 n SER 786 Ca 0.22 -2.47 0.34 0.00 1.01 0.00 0.00 58.87 57.97 1lb1 n SER 786 Cb 0.55 -0.28 0.68 0.00 -1.01 0.00 0.00 64.21 64.16 1lb1 n SER 786 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1lb1 h LYS 787 N 0.00 0.11 -0.26 1.43 1.79 -1.73 0.19 116.57 118.09 1lb1 h LYS 787 Ca 0.00 -0.01 -0.07 0.00 -2.18 0.00 0.00 60.65 58.39 1lb1 h LYS 787 Cb 1.10 -0.02 -0.04 0.00 -1.58 0.00 0.00 32.23 31.69 1lb1 h LYS 787 CO 0.00 0.07 -0.03 0.72 -1.08 0.00 0.00 179.45 179.13 1lb1 n HIS 788 N -4.34 0.89 -3.67 -1.35 8.25 -1.26 -4.88 115.22 108.86 1lb1 n HIS 788 Ca 0.29 -1.17 -0.22 0.00 -0.26 0.00 0.00 57.72 56.37 1lb1 n HIS 788 Cb 1.26 -0.36 -0.01 0.00 1.12 0.00 0.00 29.99 32.00 1lb1 n HIS 788 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1lb1 n GLU 790 N -1.59 0.62 0.00 0.00 2.13 -1.26 -2.71 120.64 117.82 1lb1 n GLU 790 Ca -0.06 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.76 1lb1 n GLU 790 Cb 0.57 -1.05 0.00 0.00 0.27 0.00 0.00 31.44 31.23 1lb1 n GLU 790 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1lb1 n GLY 791 N 0.13 -0.18 0.41 8.31 0.00 -1.26 -4.82 105.19 107.78 1lb1 n GLY 791 Ca 0.00 0.00 0.22 0.00 0.00 0.00 0.00 46.02 46.24 1lb1 n GLY 791 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lb1 h ALA 792 N 0.00 2.44 -0.03 4.61 0.00 -1.68 -1.36 119.26 123.24 1lb1 h ALA 792 Ca 0.00 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1lb1 h ALA 792 Cb 0.49 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1lb1 h ALA 792 CO 0.00 -0.68 -0.18 0.93 0.00 0.00 0.00 179.25 179.32 1lb1 h GLU 793 N 0.22 0.17 0.00 0.00 5.08 -1.87 -2.55 114.58 115.63 1lb1 h GLU 793 Ca 0.41 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.61 1lb1 h GLU 793 Cb 1.27 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.56 1lb1 h GLU 793 CO -0.09 0.82 -0.07 -0.44 -1.00 0.00 0.00 179.01 178.23 1lb1 h ASP 794 N -0.43 0.00 0.06 1.42 3.32 -1.71 -1.30 116.42 117.79 1lb1 h ASP 794 Ca -0.01 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.03 1lb1 h ASP 794 Cb 0.86 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.41 1lb1 h ASP 794 CO 0.04 0.07 -0.03 -0.07 -1.72 0.00 0.00 179.24 177.53 1lb1 h LEU 795 N 0.00 -0.07 -1.31 1.55 3.38 -1.26 -0.51 115.31 117.09 1lb1 h LEU 795 Ca -0.00 -0.40 0.07 0.00 0.09 0.00 0.00 57.88 57.64 1lb1 h LEU 795 Cb 0.13 0.02 -0.05 0.00 0.09 0.00 0.00 40.66 40.85 1lb1 h LEU 795 CO 0.01 0.37 0.52 -0.61 0.09 0.00 0.00 178.44 178.82 1lb1 h GLN 796 N -0.53 0.80 -0.07 1.13 5.75 -1.00 0.19 115.11 121.38 1lb1 h GLN 796 Ca -0.01 -0.05 -0.02 0.00 -0.15 0.00 0.00 58.65 58.42 1lb1 h GLN 796 Cb 0.46 -0.18 -0.00 0.00 1.07 0.00 0.00 27.48 28.83 1lb1 h GLN 796 CO 0.01 0.53 -0.04 1.49 -2.65 0.00 0.00 178.83 178.17 1lb1 h GLU 797 N 0.83 0.15 -0.62 1.69 4.81 -1.16 -1.70 114.58 118.58 1lb1 h GLU 797 Ca 0.34 -0.07 0.05 0.00 -0.13 0.00 0.00 59.36 59.55 1lb1 h GLU 797 Cb 0.28 -0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.60 1lb1 h GLU 797 CO -0.12 0.54 0.34 0.00 -0.73 0.00 0.00 179.01 179.04 1lb1 h ALA 798 N 0.61 0.82 -0.44 2.92 0.00 -0.32 0.18 119.26 123.03 1lb1 h ALA 798 Ca 0.01 0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.98 1lb1 h ALA 798 Cb 0.50 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 1lb1 h ALA 798 CO 0.01 0.02 0.20 1.25 0.00 0.00 0.00 179.25 180.74 1lb1 h LEU 799 N 0.65 0.28 -0.69 0.00 5.85 -0.58 -0.62 115.31 120.20 1lb1 h LEU 799 Ca 0.27 0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.95 1lb1 h LEU 799 Cb 0.15 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 1lb1 h LEU 799 CO -0.16 0.20 0.17 0.28 -0.34 0.00 0.00 178.44 178.59 1lb1 h SER 800 N 0.41 1.05 -0.80 1.25 0.02 -0.48 -0.84 113.55 114.16 1lb1 h SER 800 Ca 0.19 -0.23 -0.05 0.00 -0.84 0.00 0.00 61.79 60.87 1lb1 h SER 800 Cb 0.12 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 62.35 1lb1 h SER 800 CO -0.15 1.00 0.32 0.28 -1.14 0.00 0.00 176.83 177.15 1lb1 h SER 801 N 1.04 1.10 -0.12 3.07 0.02 -0.06 0.54 113.55 119.14 1lb1 h SER 801 Ca 0.22 -0.17 -0.08 0.00 -0.84 0.00 0.00 61.79 60.92 1lb1 h SER 801 Cb 0.36 -0.29 0.00 0.00 0.14 0.00 0.00 62.40 62.62 1lb1 h SER 801 CO 0.00 0.97 -0.23 0.40 -1.14 0.00 0.00 176.83 176.83 1lb1 h ILE 802 N 1.16 1.38 -0.54 3.27 1.08 -0.96 -1.60 117.51 121.31 1lb1 h ILE 802 Ca 0.27 -1.49 0.10 0.00 -0.39 0.00 0.00 64.86 63.34 1lb1 h ILE 802 Cb 0.21 2.05 -0.03 0.00 -3.07 0.00 0.00 36.82 35.98 1lb1 h ILE 802 CO -0.02 0.44 0.37 -0.07 -0.69 0.00 0.00 178.15 178.17 1lb1 h LEU 803 N -0.05 0.30 -0.35 1.44 3.38 -0.93 0.25 115.31 119.35 1lb1 h LEU 803 Ca 0.01 0.01 -0.16 0.00 0.09 0.00 0.00 57.88 57.82 1lb1 h LEU 803 Cb 0.81 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.50 1lb1 h LEU 803 CO 0.05 0.18 -0.40 1.23 0.09 0.00 0.00 178.44 179.59 1lb1 h GLY 804 N 0.33 0.96 1.09 0.83 0.00 -0.57 -1.38 103.07 104.33 1lb1 h GLY 804 Ca 0.25 -1.02 -0.12 0.00 0.00 0.00 0.00 47.33 46.44 1lb1 h GLY 804 CO -0.06 0.92 -0.16 -2.22 0.00 0.00 0.00 176.54 175.01 1lb1 h ILE 805 N 0.68 1.27 -0.72 2.60 2.04 -0.25 -0.75 117.51 122.38 1lb1 h ILE 805 Ca 0.05 -1.32 -0.05 0.00 1.00 0.00 0.00 64.86 64.53 1lb1 h ILE 805 Cb 1.00 1.06 -0.03 0.00 -0.74 0.00 0.00 36.82 38.11 1lb1 h ILE 805 CO 0.10 0.46 0.25 -0.07 0.00 0.00 0.00 178.15 178.89 1lb1 h LEU 806 N 0.86 1.03 -0.36 1.44 3.38 -0.92 0.68 115.31 121.44 1lb1 h LEU 806 Ca 0.12 -0.19 -0.10 0.00 0.09 0.00 0.00 57.88 57.80 1lb1 h LEU 806 Cb 0.74 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1lb1 h LEU 806 CO 0.06 0.95 -0.15 0.50 0.09 0.00 0.00 178.44 179.89 1lb1 h LYS 807 N 1.06 0.73 0.04 1.13 3.64 -1.11 -0.52 116.57 121.54 1lb1 h LYS 807 Ca 0.24 -0.31 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1lb1 h LYS 807 Cb 0.27 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 1lb1 h LYS 807 CO -0.01 0.92 -0.06 0.00 -2.27 0.00 0.00 179.45 178.03 1lb1 h ALA 808 N 0.80 -0.10 -0.44 5.00 0.00 -0.82 0.17 119.26 123.87 1lb1 h ALA 808 Ca 0.08 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.02 1lb1 h ALA 808 Cb 0.68 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 1lb1 h ALA 808 CO 0.05 -0.57 0.21 0.28 0.00 0.00 0.00 179.25 179.22 1lb1 h VAL 809 N -0.12 0.95 -0.82 0.00 2.07 -0.80 -0.42 116.25 117.12 1lb1 h VAL 809 Ca 0.01 -0.14 -0.02 0.00 0.82 0.00 0.00 66.70 67.37 1lb1 h VAL 809 Cb 0.13 0.50 -0.04 0.00 -1.52 0.00 0.00 31.29 30.36 1lb1 h VAL 809 CO -0.03 0.08 0.45 -1.13 0.02 0.00 0.00 177.57 176.96 1lb1 h ASN 810 N 0.41 1.01 -0.53 0.57 -1.24 -0.74 -2.35 115.58 112.72 1lb1 h ASN 810 Ca 0.19 -0.08 -0.06 0.00 0.71 0.00 0.00 56.30 57.05 1lb1 h ASN 810 Cb 0.12 -0.26 -0.02 0.00 0.73 0.00 0.00 38.32 38.89 1lb1 h ASN 810 CO -0.15 0.81 0.08 0.44 -1.29 0.00 0.00 177.43 177.33 1lb1 h ASP 811 N 1.14 0.85 0.10 1.15 3.32 0.12 -2.69 116.42 120.40 1lb1 h ASP 811 Ca 0.29 -0.26 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 1lb1 h ASP 811 Cb 0.02 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.35 1lb1 h ASP 811 CO -0.05 0.89 -0.05 0.77 -1.72 0.00 0.00 179.24 179.08 1lb1 h SER 812 N 0.76 0.00 -0.39 6.45 4.64 -0.61 -1.77 113.55 122.63 1lb1 h SER 812 Ca 0.16 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1lb1 h SER 812 Cb 0.41 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.48 1lb1 h SER 812 CO 0.01 0.05 0.23 0.24 -0.87 0.00 0.00 176.83 176.49 1lb1 h MET 813 N 0.00 0.54 -0.57 4.77 2.86 -1.09 -2.12 114.93 119.32 1lb1 h MET 813 Ca -0.00 -0.05 -0.05 0.00 -2.06 0.00 0.00 59.70 57.53 1lb1 h MET 813 Cb 0.12 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 1lb1 h MET 813 CO 0.01 0.42 0.15 0.45 1.06 0.00 0.00 176.91 178.99 1lb1 h HIS 814 N 0.51 0.95 -0.21 -0.22 -0.00 -1.39 -3.22 115.15 111.58 1lb1 h HIS 814 Ca 0.14 -0.11 0.04 0.00 -0.00 0.00 0.00 60.37 60.44 1lb1 h HIS 814 Cb 0.02 -0.27 -0.04 0.00 -0.00 0.00 0.00 27.41 27.12 1lb1 h HIS 814 CO -0.03 0.81 -0.05 1.25 -0.00 0.00 0.00 177.93 179.91 1lb1 h LEU 815 N 0.81 -0.20 0.00 2.43 5.85 -1.01 -1.58 115.31 121.61 1lb1 h LEU 815 Ca 0.18 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.96 1lb1 h LEU 815 Cb 0.33 0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.50 1lb1 h LEU 815 CO 0.00 -0.07 0.00 2.30 -0.34 0.00 0.00 178.44 180.33 1lb1 n ILE 816 N -5.21 0.63 1.15 4.05 -5.35 -0.83 -1.78 119.36 112.01 1lb1 n ILE 816 Ca -0.02 0.16 0.13 0.00 -0.27 0.00 0.00 62.75 62.74 1lb1 n ILE 816 Cb 0.13 -0.98 0.22 0.00 -1.74 0.00 0.00 39.64 37.28 1lb1 n ILE 816 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1lb1 n ALA 817 N -1.25 2.52 -2.03 -1.28 0.00 -0.60 -4.92 120.51 112.96 1lb1 n ALA 817 Ca 0.06 -0.62 -0.41 0.00 0.00 0.00 0.00 53.44 52.47 1lb1 n ALA 817 Cb 0.08 -0.91 -0.04 0.00 0.00 0.00 0.00 19.45 18.58 1lb1 n ALA 817 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1lb1 s ILE 818 N -2.01 3.79 0.17 0.00 1.01 -0.74 -0.90 121.20 122.52 1lb1 s ILE 818 Ca 0.31 1.56 0.10 0.00 0.00 0.00 0.00 60.65 62.62 1lb1 s ILE 818 Cb 0.20 -4.00 -0.04 0.00 0.01 0.00 0.00 42.46 38.63 1lb1 s ILE 818 CO 0.32 0.28 -0.22 0.42 0.00 0.00 0.00 174.94 175.74 1lb1 s THR 819 N -0.32 2.09 -0.71 2.92 -4.23 0.30 -4.79 115.64 110.91 1lb1 s THR 819 Ca 0.49 -1.93 0.00 0.00 -1.18 0.00 0.00 61.69 59.07 1lb1 s THR 819 Cb -0.30 -1.96 0.00 0.00 1.34 0.00 0.00 72.50 71.58 1lb1 s THR 819 CO 0.36 -0.18 0.00 0.61 -0.54 0.00 0.00 174.62 174.87 1lb1 n GLY 820 N 0.38 0.60 3.62 3.99 0.00 -1.26 -1.27 105.19 111.25 1lb1 n GLY 820 Ca -0.14 -0.67 -0.43 0.00 0.00 0.00 0.00 46.02 44.79 1lb1 n GLY 820 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1lb1 s TYR 821 N -2.30 3.14 -1.10 1.61 5.04 -1.26 -4.69 117.35 117.79 1lb1 s TYR 821 Ca 0.00 0.94 -0.22 0.00 -2.44 0.00 0.00 57.07 55.35 1lb1 s TYR 821 Cb 0.00 -3.55 -0.01 0.00 0.35 0.00 0.00 41.96 38.75 1lb1 s TYR 821 CO 0.00 -0.74 1.77 -0.51 -1.34 0.00 0.00 175.55 174.74 1lb1 s ASP 822 N 1.73 5.85 0.00 4.32 1.01 -1.26 -4.79 116.67 123.52 1lb1 s ASP 822 Ca 0.39 -1.55 0.00 0.00 0.71 0.00 0.00 52.55 52.11 1lb1 s ASP 822 Cb -0.13 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.23 1lb1 s ASP 822 CO 0.16 -2.16 0.00 0.61 0.21 0.00 0.00 175.17 173.99 1lb1 n GLY 823 N 6.24 0.77 3.77 0.21 0.00 -1.26 -5.07 105.19 109.86 1lb1 n GLY 823 Ca 0.42 -2.04 -0.36 0.00 0.00 0.00 0.00 46.02 44.03 1lb1 n GLY 823 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1lb1 s ASN 824 N -3.60 6.40 0.20 1.61 2.47 -1.26 -4.98 114.94 115.78 1lb1 s ASN 824 Ca 0.00 0.47 0.11 0.00 0.42 0.00 0.00 52.86 53.85 1lb1 s ASN 824 Cb 0.00 -2.14 -0.05 0.00 -1.45 0.00 0.00 41.25 37.61 1lb1 s ASN 824 CO 0.00 0.21 1.37 -0.07 -3.72 0.00 0.00 177.10 174.89 1lb1 h LEU 825 N 6.11 0.00 -0.54 3.21 3.38 -1.97 -3.34 115.31 122.17 1lb1 h LEU 825 Ca -0.45 0.00 0.08 0.00 0.09 0.00 0.00 57.88 57.59 1lb1 h LEU 825 Cb 1.18 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.87 1lb1 h LEU 825 CO 0.71 0.77 0.20 1.23 0.09 0.00 0.00 178.44 181.43 1lb1 h GLY 826 N 3.10 0.73 -0.86 0.83 0.00 -1.93 -1.89 103.07 103.04 1lb1 h GLY 826 Ca -0.01 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.22 1lb1 h GLY 826 CO 0.10 0.00 0.00 2.09 0.00 0.00 0.00 176.54 178.73 1lb1 n ASP 827 N -5.00 0.76 -0.48 0.19 3.85 -1.25 -2.61 116.55 112.01 1lb1 n ASP 827 Ca 0.06 -1.77 0.12 0.00 -0.71 0.00 0.00 54.79 52.50 1lb1 n ASP 827 Cb 0.22 -0.38 0.22 0.00 -1.35 0.00 0.00 41.12 39.83 1lb1 n ASP 827 CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.20 176.37 1lb1 n LEU 828 N -0.02 1.75 0.00 -2.12 4.77 -0.71 -4.96 117.00 115.71 1lb1 n LEU 828 Ca 0.00 -0.59 0.00 0.00 -0.03 0.00 0.00 56.01 55.39 1lb1 n LEU 828 Cb 0.19 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 1lb1 n LEU 828 CO 0.00 0.31 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 1lb1 n GLY 829 N 1.35 -2.37 3.77 -0.72 0.00 -1.07 -1.44 105.19 104.71 1lb1 n GLY 829 Ca 0.12 -1.77 -0.39 0.00 0.00 0.00 0.00 46.02 43.98 1lb1 n GLY 829 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1lb1 s LYS 830 N -0.33 4.10 -0.24 1.61 2.20 -1.26 -4.67 119.74 121.14 1lb1 s LYS 830 Ca 0.00 1.89 -0.28 0.00 -0.36 0.00 0.00 55.97 57.22 1lb1 s LYS 830 Cb 0.00 -2.74 0.01 0.00 -1.51 0.00 0.00 37.83 33.59 1lb1 s LYS 830 CO 0.00 -0.30 1.02 -1.17 -0.36 0.00 0.00 175.35 174.54 1lb1 s LEU 831 N -2.39 4.08 -0.25 5.43 2.96 -1.26 -2.42 118.68 124.82 1lb1 s LEU 831 Ca 0.56 1.29 0.04 0.00 -0.22 0.00 0.00 54.13 55.80 1lb1 s LEU 831 Cb -0.32 -3.50 -0.18 0.00 0.50 0.00 0.00 46.19 42.69 1lb1 s LEU 831 CO 0.41 -0.68 -0.17 0.18 -1.32 0.00 0.00 176.35 174.76 1lb1 n LEU 832 N 6.36 2.52 -3.70 -0.68 4.77 0.15 -5.00 117.00 121.40 1lb1 n LEU 832 Ca 0.11 -0.11 -0.11 0.00 -0.03 0.00 0.00 56.01 55.87 1lb1 n LEU 832 Cb 0.46 -0.70 -0.06 0.00 -2.33 0.00 0.00 43.42 40.80 1lb1 n LEU 832 CO 0.52 0.87 0.09 -0.04 -1.33 0.00 0.00 177.39 177.50 1lb1 s MET 833 N -2.52 0.95 -0.11 3.23 -1.94 -1.06 -4.97 119.30 112.89 1lb1 s MET 833 Ca -0.31 -0.65 -0.22 0.00 -1.71 0.00 0.00 55.69 52.80 1lb1 s MET 833 Cb 0.09 0.41 0.05 0.00 2.01 0.00 0.00 34.83 37.39 1lb1 s MET 833 CO 0.64 -0.34 0.54 1.14 -0.01 0.00 0.00 175.02 176.99 1lb1 s GLN 834 N -3.31 0.80 0.00 2.03 1.03 -1.26 0.26 119.66 119.22 1lb1 s GLN 834 Ca 0.00 0.35 0.00 0.00 0.04 0.00 0.00 55.36 55.76 1lb1 s GLN 834 Cb 0.01 0.38 0.00 0.00 0.03 0.00 0.00 33.01 33.43 1lb1 s GLN 834 CO -0.08 -0.19 0.00 0.41 -2.54 0.00 0.00 175.29 172.88 1lb1 n GLY 835 N 1.74 1.17 3.77 2.60 0.00 -0.62 -4.96 105.19 108.89 1lb1 n GLY 835 Ca -0.17 -0.70 -0.37 0.00 0.00 0.00 0.00 46.02 44.77 1lb1 n GLY 835 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1lb1 s SER 836 N 0.00 6.63 0.10 1.61 0.01 -1.26 0.34 113.70 121.13 1lb1 s SER 836 Ca 0.00 0.75 -0.02 0.00 1.31 0.00 0.00 55.95 57.98 1lb1 s SER 836 Cb 0.00 -2.23 -0.03 0.00 0.21 0.00 0.00 66.02 63.96 1lb1 s SER 836 CO 0.00 0.15 0.06 -0.36 0.41 0.00 0.00 173.24 173.50 1lb1 s PHE 837 N -0.04 0.65 -0.11 2.43 0.40 -0.09 -4.92 117.98 116.32 1lb1 s PHE 837 Ca 0.22 -1.09 -0.21 0.00 -0.60 0.00 0.00 56.93 55.25 1lb1 s PHE 837 Cb -0.15 -0.38 -0.04 0.00 0.51 0.00 0.00 43.02 42.97 1lb1 s PHE 837 CO 0.09 -0.50 0.60 -1.12 0.70 0.00 0.00 175.22 174.99 1lb1 s SER 838 N -2.98 6.82 -0.08 1.36 0.01 -1.26 -1.99 113.70 115.57 1lb1 s SER 838 Ca 0.16 0.98 0.04 0.00 1.31 0.00 0.00 55.95 58.45 1lb1 s SER 838 Cb 0.07 -2.35 0.00 0.00 0.21 0.00 0.00 66.02 63.95 1lb1 s SER 838 CO -0.03 -0.09 -0.21 -0.69 0.41 0.00 0.00 173.24 172.63 1lb1 s VAL 839 N 0.88 1.78 0.14 3.43 1.01 0.22 -1.83 120.40 126.02 1lb1 s VAL 839 Ca 0.31 -0.87 0.06 0.00 0.00 0.00 0.00 61.98 61.49 1lb1 s VAL 839 Cb -0.16 -1.54 -0.04 0.00 0.00 0.00 0.00 36.38 34.64 1lb1 s VAL 839 CO 0.14 0.50 0.02 0.26 0.00 0.00 0.00 175.10 176.01 1lb1 s TRP 840 N 0.31 2.94 0.30 5.22 0.51 -0.52 -0.14 118.94 127.56 1lb1 s TRP 840 Ca -0.14 -0.08 0.10 0.00 -2.12 0.00 0.00 56.10 53.86 1lb1 s TRP 840 Cb -0.16 -1.46 -0.05 0.00 -0.81 0.00 0.00 33.47 30.99 1lb1 s TRP 840 CO 0.06 0.50 -0.08 0.95 -0.51 0.00 0.00 176.95 177.88 1lb1 s THR 841 N -1.57 2.77 -0.39 2.01 -4.23 -0.09 -0.02 115.64 114.12 1lb1 s THR 841 Ca 0.27 -2.14 0.09 0.00 -1.18 0.00 0.00 61.69 58.74 1lb1 s THR 841 Cb -0.10 -2.62 0.38 0.00 1.34 0.00 0.00 72.50 71.50 1lb1 s THR 841 CO 0.19 -0.32 1.36 -0.67 -0.54 0.00 0.00 174.62 174.64 1lb1 n ASP 842 N -0.80 -1.86 -4.28 3.99 2.03 0.03 -4.34 116.55 111.31 1lb1 n ASP 842 Ca -0.05 -2.42 -0.29 0.00 0.52 0.00 0.00 54.79 52.55 1lb1 n ASP 842 Cb 0.61 1.00 0.25 0.00 -0.72 0.00 0.00 41.12 42.26 1lb1 n ASP 842 CO 0.00 0.00 0.00 -1.00 -1.92 0.00 0.00 177.20 174.28 1lb1 s HIS 843 N 0.19 1.04 -0.04 -0.67 3.76 -1.26 -3.98 115.29 114.33 1lb1 s HIS 843 Ca 0.21 0.96 -0.01 0.00 -0.15 0.00 0.00 55.06 56.07 1lb1 s HIS 843 Cb 0.39 -3.11 -0.00 0.00 1.11 0.00 0.00 32.58 30.97 1lb1 s HIS 843 CO -0.09 -3.98 -0.02 0.87 -0.85 0.00 0.00 174.74 170.67 1lb1 h LYS 844 N -2.69 0.00 -3.28 1.40 1.57 -1.47 -3.47 116.57 108.63 1lb1 h LYS 844 Ca -0.57 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.20 1lb1 h LYS 844 Cb 1.34 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 33.55 1lb1 h LYS 844 CO 0.47 0.00 0.06 0.15 -0.57 0.00 0.00 179.45 179.56 1lb1 s LYS 845 N -1.29 1.47 -0.61 3.15 1.02 -1.26 -5.14 119.74 117.07 1lb1 s LYS 845 Ca -0.02 -0.91 -0.38 0.00 0.02 0.00 0.00 55.97 54.68 1lb1 s LYS 845 Cb 0.00 0.53 -0.18 0.00 -0.52 0.00 0.00 37.83 37.67 1lb1 s LYS 845 CO 0.03 -0.63 2.32 0.41 -0.92 0.00 0.00 175.35 176.55 1lb1 n GLY 846 N -0.37 -0.12 0.01 -3.33 0.00 -1.26 -5.10 105.19 95.02 1lb1 n GLY 846 Ca -0.08 1.08 0.00 0.00 0.00 0.00 0.00 46.02 47.02 1lb1 n GLY 846 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1lb1 n LEU 853 N 9.10 -1.54 0.00 0.99 7.94 -1.26 -5.25 117.00 126.98 1lb1 n LEU 853 Ca 0.55 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.45 1lb1 n LEU 853 Cb 0.05 0.74 0.00 0.00 0.53 0.00 0.00 43.42 44.74 1lb1 n LEU 853 CO 0.87 0.00 0.00 0.00 -1.11 0.00 0.00 177.39 177.15 1lb1 n ALA 854 N 0.31 0.00 0.11 1.96 0.00 -1.26 -4.74 120.51 116.89 1lb1 n ALA 854 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 1lb1 n ALA 854 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 1lb1 n ALA 854 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 1lb1 h ARG 855 N 0.00 0.00 0.00 0.00 0.11 -1.94 -0.20 114.38 112.35 1lb1 h ARG 855 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1lb1 h ARG 855 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 1lb1 h ARG 855 CO 0.00 0.46 -0.58 1.19 0.10 0.00 0.00 179.97 181.14 1lb1 n PHE 856 N -3.14 0.00 -3.44 4.08 3.01 -1.26 -4.84 117.46 111.87 1lb1 n PHE 856 Ca -0.01 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.03 1lb1 n PHE 856 Cb 0.77 0.02 -0.10 0.00 -0.01 0.00 0.00 39.48 40.16 1lb1 n PHE 856 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 1lb1 s LYS 857 N -1.63 3.32 0.69 -1.08 2.47 -1.26 -5.06 119.74 117.19 1lb1 s LYS 857 Ca 0.00 -0.69 -0.15 0.00 -1.56 0.00 0.00 55.97 53.57 1lb1 s LYS 857 Cb 0.00 -3.88 0.02 0.00 -1.46 0.00 0.00 37.83 32.51 1lb1 s LYS 857 CO 0.00 -0.61 1.13 -1.25 0.16 0.00 0.00 175.35 174.78 1lb1 s PRO 858 N 1.86 2.55 0.14 4.03 0.04 -1.26 -4.43 135.00 137.94 1lb1 s PRO 858 Ca 0.08 1.47 0.03 0.00 0.04 0.00 0.00 61.00 62.63 1lb1 s PRO 858 Cb -0.17 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.42 1lb1 s PRO 858 CO 0.11 -1.46 0.19 0.00 0.04 0.00 0.00 177.00 175.88 1lb1 s MET 859 N -4.11 3.14 -0.41 4.56 0.23 0.80 -4.81 119.30 118.70 1lb1 s MET 859 Ca 0.68 -0.71 -0.14 0.00 -1.03 0.00 0.00 55.69 54.49 1lb1 s MET 859 Cb -0.22 -2.81 0.02 0.00 -1.53 0.00 0.00 34.83 30.29 1lb1 s MET 859 CO 0.44 0.52 0.29 -0.65 -2.03 0.00 0.00 175.02 173.59 1lb1 s GLN 860 N -3.00 2.95 0.17 3.16 -1.52 -1.26 0.69 119.66 120.85 1lb1 s GLN 860 Ca 0.32 -1.05 0.10 0.00 -1.95 0.00 0.00 55.36 52.78 1lb1 s GLN 860 Cb -0.11 -3.95 -0.04 0.00 -0.22 0.00 0.00 33.01 28.68 1lb1 s GLN 860 CO 0.25 -0.76 -0.22 1.03 -0.25 0.00 0.00 175.29 175.34 1lb1 s ARG 861 N 1.66 1.40 -0.22 2.91 1.81 -0.84 -4.46 118.95 121.20 1lb1 s ARG 861 Ca 0.04 -1.44 -0.05 0.00 -1.72 0.00 0.00 55.73 52.56 1lb1 s ARG 861 Cb -0.19 -1.65 -0.02 0.00 -0.45 0.00 0.00 34.95 32.63 1lb1 s ARG 861 CO 0.09 0.36 0.01 -1.58 -0.68 0.00 0.00 175.30 173.50 1lb1 s HIS 862 N -1.68 3.03 0.08 -0.53 2.46 0.93 -0.91 115.29 118.67 1lb1 s HIS 862 Ca 0.17 -0.59 -0.01 0.00 0.47 0.00 0.00 55.06 55.11 1lb1 s HIS 862 Cb -0.08 -2.14 -0.04 0.00 -0.13 0.00 0.00 32.58 30.20 1lb1 s HIS 862 CO 0.08 -0.37 0.24 -0.51 -2.47 0.00 0.00 174.74 171.71 1lb1 s LEU 863 N 1.33 4.35 -0.23 8.88 1.43 0.15 -1.47 118.68 133.12 1lb1 s LEU 863 Ca 0.04 0.31 -0.01 0.00 -1.03 0.00 0.00 54.13 53.44 1lb1 s LEU 863 Cb -0.15 -3.01 0.06 0.00 0.03 0.00 0.00 46.19 43.13 1lb1 s LEU 863 CO 0.01 0.15 0.00 -0.36 0.23 0.00 0.00 176.35 176.38 1lb1 s PHE 864 N -1.54 1.77 -0.29 0.29 0.40 -0.82 -1.59 117.98 116.20 1lb1 s PHE 864 Ca 0.36 -1.40 -0.24 0.00 -0.60 0.00 0.00 56.93 55.05 1lb1 s PHE 864 Cb -0.13 -1.38 -0.00 0.00 0.51 0.00 0.00 43.02 42.02 1lb1 s PHE 864 CO 0.28 -0.72 0.81 -1.17 0.70 0.00 0.00 175.22 175.11 1lb1 s LEU 865 N 1.60 4.08 0.34 -0.37 0.20 0.14 -1.24 118.68 123.43 1lb1 s LEU 865 Ca -0.02 0.76 0.09 0.00 0.69 0.00 0.00 54.13 55.65 1lb1 s LEU 865 Cb -0.18 -3.12 -0.05 0.00 -0.43 0.00 0.00 46.19 42.41 1lb1 s LEU 865 CO -0.09 -0.60 0.01 -1.00 -0.29 0.00 0.00 176.35 174.38 1lb1 s HIS 866 N 2.96 2.54 0.23 5.38 3.76 0.73 0.29 115.29 131.18 1lb1 s HIS 866 Ca 0.33 -0.44 -0.06 0.00 -0.15 0.00 0.00 55.06 54.74 1lb1 s HIS 866 Cb -0.14 -1.48 0.22 0.00 1.11 0.00 0.00 32.58 32.29 1lb1 s HIS 866 CO 0.11 0.49 1.82 0.93 -0.85 0.00 0.00 174.74 177.24 1lb1 h GLU 867 N 1.82 1.17 0.10 1.40 5.08 -1.47 -3.19 114.58 119.49 1lb1 h GLU 867 Ca -0.43 -0.18 -0.31 0.00 -1.00 0.00 0.00 59.36 57.44 1lb1 h GLU 867 Cb 1.25 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 30.28 1lb1 h GLU 867 CO 0.67 0.92 -1.58 0.87 -1.00 0.00 0.00 179.01 178.89 1lb1 h LYS 868 N 1.16 0.22 -3.27 2.33 1.79 -1.57 -3.45 116.57 113.78 1lb1 h LYS 868 Ca 0.28 -0.37 0.00 0.00 -2.18 0.00 0.00 60.65 58.37 1lb1 h LYS 868 Cb 0.15 0.14 -0.06 0.00 -1.58 0.00 0.00 32.23 30.88 1lb1 h LYS 868 CO -0.03 1.06 0.09 0.00 -1.08 0.00 0.00 179.45 179.49 1lb1 s ALA 869 N -2.61 -0.75 -0.21 3.86 0.00 -1.21 0.24 121.76 121.08 1lb1 s ALA 869 Ca -0.10 -0.60 -0.03 0.00 0.00 0.00 0.00 51.96 51.23 1lb1 s ALA 869 Cb 0.07 0.92 -0.01 0.00 0.00 0.00 0.00 23.12 24.10 1lb1 s ALA 869 CO 0.84 -0.96 -0.05 0.08 0.00 0.00 0.00 175.76 175.67 1lb1 s VAL 870 N -3.77 3.35 -0.09 0.00 1.01 -0.15 -0.20 120.40 120.55 1lb1 s VAL 870 Ca 0.16 -0.51 -0.10 0.00 0.00 0.00 0.00 61.98 61.54 1lb1 s VAL 870 Cb -0.04 -2.51 -0.05 0.00 0.00 0.00 0.00 36.38 33.79 1lb1 s VAL 870 CO 0.09 0.44 0.22 -0.76 0.00 0.00 0.00 175.10 175.09 1lb1 s LEU 871 N 1.28 4.40 -0.20 3.92 1.43 -0.37 -0.91 118.68 128.24 1lb1 s LEU 871 Ca 0.03 0.60 -0.04 0.00 -1.03 0.00 0.00 54.13 53.69 1lb1 s LEU 871 Cb -0.14 -2.23 -0.02 0.00 0.03 0.00 0.00 46.19 43.83 1lb1 s LEU 871 CO -0.02 0.36 -0.03 -0.36 0.23 0.00 0.00 176.35 176.53 1lb1 s PHE 872 N -0.92 2.98 0.14 0.29 0.40 -0.35 -1.94 117.98 118.59 1lb1 s PHE 872 Ca 0.17 -0.63 0.07 0.00 -0.60 0.00 0.00 56.93 55.95 1lb1 s PHE 872 Cb -0.13 -2.05 -0.04 0.00 0.51 0.00 0.00 43.02 41.30 1lb1 s PHE 872 CO 0.06 -0.33 -0.17 0.00 0.70 0.00 0.00 175.22 175.49 1lb1 s LYS 874 N -2.64 3.59 0.06 0.00 2.20 0.02 -0.05 119.74 122.93 1lb1 s LYS 874 Ca 0.12 -0.53 -0.33 0.00 -0.36 0.00 0.00 55.97 54.88 1lb1 s LYS 874 Cb -0.06 -3.10 -0.12 0.00 -1.51 0.00 0.00 37.83 33.04 1lb1 s LYS 874 CO 0.05 -0.04 1.81 1.17 -0.36 0.00 0.00 175.35 177.98 1lb1 n LYS 875 N 4.39 2.49 -3.91 4.03 4.81 -1.26 -0.97 118.16 127.75 1lb1 n LYS 875 Ca -0.17 0.91 -0.35 0.00 -0.87 0.00 0.00 58.31 57.83 1lb1 n LYS 875 Cb 0.52 -2.77 -0.14 0.00 0.02 0.00 0.00 35.03 32.66 1lb1 n LYS 875 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 1lb1 s ARG 876 N 2.89 3.06 0.02 1.64 3.52 0.49 -4.90 118.95 125.67 1lb1 s ARG 876 Ca 0.85 -0.84 -0.30 0.00 -0.13 0.00 0.00 55.73 55.31 1lb1 s ARG 876 Cb -0.58 -3.06 -0.06 0.00 -1.56 0.00 0.00 34.95 29.70 1lb1 s ARG 876 CO 0.42 -0.34 1.40 -2.00 -0.81 0.00 0.00 175.30 173.97 1lb1 s GLU 877 N 1.41 4.29 0.11 5.12 2.56 -1.26 -0.94 118.70 129.99 1lb1 s GLU 877 Ca 0.03 1.99 0.06 0.00 0.00 0.00 0.00 54.97 57.05 1lb1 s GLU 877 Cb -0.16 -3.51 -0.04 0.00 2.00 0.00 0.00 34.13 32.42 1lb1 s GLU 877 CO -0.03 -0.54 -0.05 -1.21 -0.56 0.00 0.00 175.26 172.87 1lb1 s GLU 878 N 2.13 2.32 0.14 4.30 0.41 -1.26 -4.92 118.70 121.81 1lb1 s GLU 878 Ca 0.64 -0.97 0.11 0.00 -0.41 0.00 0.00 54.97 54.34 1lb1 s GLU 878 Cb -0.33 -2.40 -0.04 0.00 -1.78 0.00 0.00 34.13 29.59 1lb1 s GLU 878 CO 0.27 0.51 -0.26 -0.80 -0.49 0.00 0.00 175.26 174.50 1lb1 s ASN 879 N -2.36 3.24 0.00 -0.19 0.01 -1.26 -4.46 114.94 109.92 1lb1 s ASN 879 Ca 0.24 -0.76 0.00 0.00 -0.71 0.00 0.00 52.86 51.63 1lb1 s ASN 879 Cb -0.11 -0.21 0.00 0.00 0.41 0.00 0.00 41.25 41.34 1lb1 s ASN 879 CO 0.16 0.16 0.00 0.61 -1.51 0.00 0.00 177.10 176.52 1lb1 n GLY 880 N 0.84 -0.60 0.09 0.66 0.00 -1.26 -4.74 105.19 100.18 1lb1 n GLY 880 Ca -0.17 -0.65 -0.15 0.00 0.00 0.00 0.00 46.02 45.05 1lb1 n GLY 880 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1lb1 h GLU 881 N 0.00 0.00 0.00 1.61 5.08 -1.99 -3.43 114.58 115.86 1lb1 h GLU 881 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1lb1 h GLU 881 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1lb1 h GLU 881 CO 0.00 0.62 0.00 0.41 -1.00 0.00 0.00 179.01 179.04 1lb1 n GLY 882 N 1.52 1.27 0.11 -3.84 0.00 -1.26 -4.81 105.19 98.17 1lb1 n GLY 882 Ca -0.21 -0.10 0.10 0.00 0.00 0.00 0.00 46.02 45.81 1lb1 n GLY 882 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1lb1 n TYR 883 N 0.00 0.58 0.28 1.61 9.36 -1.26 -0.75 117.16 126.98 1lb1 n TYR 883 Ca 0.00 0.26 0.16 0.00 3.32 0.00 0.00 57.90 61.63 1lb1 n TYR 883 Cb 0.00 -0.91 0.77 0.00 -0.63 0.00 0.00 39.34 38.57 1lb1 n TYR 883 CO 0.00 0.00 0.00 0.93 0.22 0.00 0.00 176.86 178.01 1lb1 h GLU 884 N 0.00 0.00 0.00 2.98 5.08 -1.92 -0.82 114.58 119.91 1lb1 h GLU 884 Ca 0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1lb1 h GLU 884 Cb 0.21 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1lb1 h GLU 884 CO 0.00 0.07 -0.17 0.87 -1.00 0.00 0.00 179.01 178.78 1lb1 h LYS 885 N 0.00 0.00 -6.71 2.33 1.79 -1.16 -3.36 116.57 109.46 1lb1 h LYS 885 Ca -0.00 0.00 -0.52 0.00 -2.18 0.00 0.00 60.65 57.94 1lb1 h LYS 885 Cb 0.39 0.00 0.07 0.00 -1.58 0.00 0.00 32.23 31.10 1lb1 h LYS 885 CO 0.01 0.17 0.93 0.00 -1.08 0.00 0.00 179.45 179.48 1lb1 s ALA 886 N -3.68 3.83 0.98 3.86 0.00 -0.31 -4.38 121.76 122.05 1lb1 s ALA 886 Ca 0.00 1.53 -0.12 0.00 0.00 0.00 0.00 51.96 53.38 1lb1 s ALA 886 Cb 0.10 -3.66 0.18 0.00 0.00 0.00 0.00 23.12 19.74 1lb1 s ALA 886 CO 0.62 -0.91 1.08 -1.25 0.00 0.00 0.00 175.76 175.30 1lb1 s PRO 887 N 0.46 0.57 0.43 0.00 0.04 -1.26 -4.52 135.00 130.72 1lb1 s PRO 887 Ca 0.69 0.88 0.07 0.00 0.04 0.00 0.00 61.00 62.68 1lb1 s PRO 887 Cb -0.48 -1.72 -0.04 0.00 0.04 0.00 0.00 34.50 32.30 1lb1 s PRO 887 CO 0.38 -2.73 0.21 -1.54 0.04 0.00 0.00 177.00 173.37 1lb1 s SER 888 N -3.11 4.49 -0.20 6.66 1.04 -0.12 -4.93 113.70 117.53 1lb1 s SER 888 Ca 0.65 -1.09 0.01 0.00 0.48 0.00 0.00 55.95 56.00 1lb1 s SER 888 Cb -0.20 -0.35 0.04 0.00 0.10 0.00 0.00 66.02 65.60 1lb1 s SER 888 CO 0.59 -0.62 -0.13 -0.31 0.98 0.00 0.00 173.24 173.75 1lb1 s TYR 889 N -2.62 2.62 -0.33 5.02 1.51 -0.08 -0.38 117.35 123.10 1lb1 s TYR 889 Ca 0.39 -1.70 -0.28 0.00 -1.01 0.00 0.00 57.07 54.47 1lb1 s TYR 889 Cb 0.03 -1.75 0.01 0.00 -0.11 0.00 0.00 41.96 40.14 1lb1 s TYR 889 CO 0.22 -0.78 1.01 -1.12 -1.11 0.00 0.00 175.55 173.78 1lb1 s SER 890 N 1.33 6.84 0.19 2.29 0.01 -0.14 0.11 113.70 124.33 1lb1 s SER 890 Ca -0.01 0.90 -0.32 0.00 1.31 0.00 0.00 55.95 57.83 1lb1 s SER 890 Cb -0.16 -2.51 -0.12 0.00 0.21 0.00 0.00 66.02 63.44 1lb1 s SER 890 CO -0.09 -0.85 1.71 0.00 0.41 0.00 0.00 173.24 174.42 1lb1 n TYR 891 N 6.79 2.66 0.00 2.43 9.36 -0.40 -0.80 117.16 137.21 1lb1 n TYR 891 Ca 0.10 0.07 0.00 0.00 3.32 0.00 0.00 57.90 61.39 1lb1 n TYR 891 Cb 0.47 -2.66 0.00 0.00 -0.63 0.00 0.00 39.34 36.53 1lb1 n TYR 891 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 1lb1 n LYS 892 N 3.98 0.00 -4.33 2.98 4.76 0.24 -4.88 118.16 120.92 1lb1 n LYS 892 Ca 0.16 0.00 -0.29 0.00 -2.87 0.00 0.00 58.31 55.31 1lb1 n LYS 892 Cb 0.34 0.00 -0.05 0.00 -1.84 0.00 0.00 35.03 33.48 1lb1 n LYS 892 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1lb1 n GLN 893 N -0.48 0.81 -3.66 1.97 10.64 -1.08 -4.97 117.38 120.60 1lb1 n GLN 893 Ca 0.00 -3.44 -0.07 0.00 -1.83 0.00 0.00 57.00 51.65 1lb1 n GLN 893 Cb 0.00 0.79 -0.09 0.00 -0.86 0.00 0.00 30.24 30.08 1lb1 n GLN 893 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 1lb1 s SER 894 N -3.74 -0.49 -0.27 2.61 0.15 -1.26 -1.21 113.70 109.48 1lb1 s SER 894 Ca 0.07 1.11 -0.12 0.00 0.70 0.00 0.00 55.95 57.71 1lb1 s SER 894 Cb -0.01 1.43 -0.05 0.00 -1.71 0.00 0.00 66.02 65.69 1lb1 s SER 894 CO 0.05 -0.22 0.25 -0.76 1.20 0.00 0.00 173.24 173.75 1lb1 s LEU 895 N 2.42 4.04 0.04 3.45 1.43 -0.08 -4.93 118.68 125.05 1lb1 s LEU 895 Ca -0.04 0.11 -0.31 0.00 -1.03 0.00 0.00 54.13 52.87 1lb1 s LEU 895 Cb -0.11 -2.23 -0.06 0.00 0.03 0.00 0.00 46.19 43.82 1lb1 s LEU 895 CO -0.14 -0.08 1.31 0.21 0.23 0.00 0.00 176.35 177.87 1lb1 s ASN 896 N 1.63 6.94 0.48 2.29 3.84 -1.26 -0.98 114.94 127.88 1lb1 s ASN 896 Ca 0.10 2.10 0.19 0.00 0.21 0.00 0.00 52.86 55.47 1lb1 s ASN 896 Cb -0.16 -2.57 1.22 0.00 -0.55 0.00 0.00 41.25 39.19 1lb1 s ASN 896 CO 0.10 -0.60 1.99 0.24 -2.79 0.00 0.00 177.10 176.04 1lb1 h MET 897 N 7.18 0.19 0.00 0.43 2.86 -0.52 -1.91 114.93 123.16 1lb1 h MET 897 Ca -0.40 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.23 1lb1 h MET 897 Cb 1.20 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.81 1lb1 h MET 897 CO 0.86 0.13 0.01 1.79 1.06 0.00 0.00 176.91 180.75 1lb1 h THR 898 N 0.20 0.00 -0.01 2.22 1.35 -1.91 -1.48 112.91 113.27 1lb1 h THR 898 Ca 0.26 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.12 1lb1 h THR 898 Cb 0.77 0.94 0.00 0.00 -1.73 0.00 0.00 68.15 68.13 1lb1 h THR 898 CO -0.04 0.00 -0.00 0.00 -0.25 0.00 0.00 175.52 175.22 1lb1 n ALA 899 N -2.05 2.49 -1.77 6.62 0.00 -0.73 -5.02 120.51 120.05 1lb1 n ALA 899 Ca -0.03 -0.56 -0.38 0.00 0.00 0.00 0.00 53.44 52.47 1lb1 n ALA 899 Cb 0.07 -0.28 -0.05 0.00 0.00 0.00 0.00 19.45 19.19 1lb1 n ALA 899 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1lb1 s VAL 900 N -0.70 3.86 0.18 0.00 1.01 -0.56 -2.02 120.40 122.17 1lb1 s VAL 900 Ca 0.10 1.59 0.02 0.00 0.00 0.00 0.00 61.98 63.68 1lb1 s VAL 900 Cb 0.07 -3.90 -0.05 0.00 0.00 0.00 0.00 36.38 32.50 1lb1 s VAL 900 CO 0.11 0.17 0.02 -0.83 0.00 0.00 0.00 175.10 174.56 1lb1 s GLY 901 N -1.41 1.29 -0.01 4.51 0.00 -0.58 -5.00 107.32 106.12 1lb1 s GLY 901 Ca 0.51 -1.63 -0.02 0.00 0.00 0.00 0.00 44.72 43.59 1lb1 s GLY 901 CO 0.29 -1.53 0.04 -1.50 0.00 0.00 0.00 173.10 170.40 1lb1 s ILE 902 N -3.68 0.01 -0.27 0.90 2.07 -1.26 -1.70 121.20 117.28 1lb1 s ILE 902 Ca 0.26 -0.11 -0.02 0.00 -1.41 0.00 0.00 60.65 59.36 1lb1 s ILE 902 Cb 0.06 -0.10 0.03 0.00 0.13 0.00 0.00 42.46 42.59 1lb1 s ILE 902 CO 0.05 -0.06 -0.03 -0.89 -1.91 0.00 0.00 174.94 172.10 1lb1 s THR 903 N -0.17 3.00 0.06 4.00 2.01 -0.01 -4.99 115.64 119.53 1lb1 s THR 903 Ca -0.02 -1.10 -0.15 0.00 0.31 0.00 0.00 61.69 60.72 1lb1 s THR 903 Cb -0.01 -2.59 -0.27 0.00 0.01 0.00 0.00 72.50 69.64 1lb1 s THR 903 CO 0.00 0.10 1.13 -0.08 -0.69 0.00 0.00 174.62 175.07 1lb1 h GLU 904 N 8.03 0.64 -5.30 4.92 4.81 -1.92 -0.86 114.58 124.90 1lb1 h GLU 904 Ca -0.29 -0.79 -0.65 0.00 -0.13 0.00 0.00 59.36 57.50 1lb1 h GLU 904 Cb 1.10 0.25 -0.24 0.00 0.63 0.00 0.00 28.75 30.48 1lb1 h GLU 904 CO 0.56 1.35 -0.71 -0.80 -0.73 0.00 0.00 179.01 178.68 1lb1 s ASN 905 N -7.35 4.43 -0.04 1.04 0.01 -1.26 -4.64 114.94 107.13 1lb1 s ASN 905 Ca -0.10 -0.23 0.05 0.00 -0.71 0.00 0.00 52.86 51.88 1lb1 s ASN 905 Cb 0.06 -1.70 -0.01 0.00 0.41 0.00 0.00 41.25 40.00 1lb1 s ASN 905 CO 0.92 0.16 -0.21 -0.69 -1.51 0.00 0.00 177.10 175.78 1lb1 s VAL 906 N 0.39 1.69 0.20 1.60 1.01 -1.26 -4.99 120.40 119.04 1lb1 s VAL 906 Ca -0.07 -0.88 -0.32 0.00 0.00 0.00 0.00 61.98 60.72 1lb1 s VAL 906 Cb -0.15 -1.44 -0.12 0.00 0.00 0.00 0.00 36.38 34.68 1lb1 s VAL 906 CO 0.04 0.48 1.74 -0.75 0.00 0.00 0.00 175.10 176.61 1lb1 s LYS 907 N -0.14 4.12 0.00 2.72 2.20 -1.26 -3.05 119.74 124.34 1lb1 s LYS 907 Ca -0.01 2.61 0.00 0.00 -0.36 0.00 0.00 55.97 58.21 1lb1 s LYS 907 Cb -0.12 -3.15 0.00 0.00 -1.51 0.00 0.00 37.83 33.06 1lb1 s LYS 907 CO 0.02 -0.77 0.00 0.41 -0.36 0.00 0.00 175.35 174.65 1lb1 n GLY 908 N 4.02 3.01 2.90 5.54 0.00 -1.26 -4.99 105.19 114.42 1lb1 n GLY 908 Ca 0.16 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.04 1lb1 n GLY 908 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1lb1 s ASP 909 N -1.27 0.68 0.08 1.61 -1.08 -1.17 -5.00 116.67 110.53 1lb1 s ASP 909 Ca 0.00 0.24 0.23 0.00 -0.52 0.00 0.00 52.55 52.50 1lb1 s ASP 909 Cb 0.00 0.69 0.94 0.00 -1.46 0.00 0.00 42.92 43.09 1lb1 s ASP 909 CO 0.00 -0.28 1.73 0.35 0.52 0.00 0.00 175.17 177.49 1lb1 n THR 910 N 5.34 0.53 1.18 1.71 -2.24 -1.26 -2.76 114.28 116.78 1lb1 n THR 910 Ca -0.05 0.05 0.12 0.00 -2.27 0.00 0.00 64.05 61.90 1lb1 n THR 910 Cb 0.50 -0.76 0.25 0.00 -2.10 0.00 0.00 70.33 68.22 1lb1 n THR 910 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1lb1 n LYS 911 N -1.76 1.29 -3.73 -0.78 5.02 -1.26 -4.91 118.16 112.02 1lb1 n LYS 911 Ca 0.05 -0.91 -0.30 0.00 -2.02 0.00 0.00 58.31 55.13 1lb1 n LYS 911 Cb 0.29 -1.48 -0.04 0.00 -0.02 0.00 0.00 35.03 33.78 1lb1 n LYS 911 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1lb1 s LYS 912 N -2.34 3.55 -0.11 1.97 1.02 -1.11 -1.16 119.74 121.56 1lb1 s LYS 912 Ca 0.25 -0.24 -0.21 0.00 0.02 0.00 0.00 55.97 55.80 1lb1 s LYS 912 Cb 0.19 -2.88 0.05 0.00 -0.52 0.00 0.00 37.83 34.67 1lb1 s LYS 912 CO 0.48 0.47 0.52 -0.59 -0.92 0.00 0.00 175.35 175.30 1lb1 s PHE 913 N -1.70 -0.50 -0.13 3.18 -0.12 -0.96 -4.32 117.98 113.43 1lb1 s PHE 913 Ca 0.39 1.04 -0.03 0.00 -0.05 0.00 0.00 56.93 58.28 1lb1 s PHE 913 Cb -0.12 0.23 -0.03 0.00 -0.63 0.00 0.00 43.02 42.47 1lb1 s PHE 913 CO 0.27 -0.40 -0.02 -1.21 -0.05 0.00 0.00 175.22 173.81 1lb1 s GLU 914 N -0.55 3.43 -0.43 1.99 2.02 -0.33 -0.50 118.70 124.34 1lb1 s GLU 914 Ca -0.07 -0.47 -0.07 0.00 0.02 0.00 0.00 54.97 54.38 1lb1 s GLU 914 Cb -0.03 -2.88 0.11 0.00 0.10 0.00 0.00 34.13 31.43 1lb1 s GLU 914 CO 0.04 0.41 0.27 0.42 0.02 0.00 0.00 175.26 176.42 1lb1 s ILE 915 N -0.09 3.85 0.39 -1.63 1.01 0.28 -0.83 121.20 124.18 1lb1 s ILE 915 Ca 0.03 -1.80 0.07 0.00 0.00 0.00 0.00 60.65 58.95 1lb1 s ILE 915 Cb -0.13 -3.53 0.00 0.00 0.01 0.00 0.00 42.46 38.82 1lb1 s ILE 915 CO 0.02 -0.68 0.52 -1.66 0.00 0.00 0.00 174.94 173.15 1lb1 s TRP 916 N 1.29 2.92 0.09 3.97 1.48 -0.69 -2.10 118.94 125.91 1lb1 s TRP 916 Ca 0.06 -0.34 0.04 0.00 -1.06 0.00 0.00 56.10 54.80 1lb1 s TRP 916 Cb -0.24 -2.23 -0.03 0.00 -1.16 0.00 0.00 33.47 29.80 1lb1 s TRP 916 CO -0.01 -0.26 -0.11 -0.47 -4.06 0.00 0.00 176.95 172.04 1lb1 s TYR 917 N -2.29 1.09 -0.07 1.66 5.04 0.17 -1.53 117.35 121.41 1lb1 s TYR 917 Ca 0.51 -0.62 -0.06 0.00 -2.44 0.00 0.00 57.07 54.46 1lb1 s TYR 917 Cb -0.10 -0.59 0.01 0.00 0.35 0.00 0.00 41.96 41.63 1lb1 s TYR 917 CO 0.32 0.01 0.10 0.09 -1.34 0.00 0.00 175.55 174.74 1lb1 n ASN 918 N 0.66 -5.00 -1.33 4.32 3.02 -0.86 -1.43 115.26 114.65 1lb1 n ASN 918 Ca -0.17 0.23 -0.11 0.00 -0.03 0.00 0.00 54.58 54.50 1lb1 n ASN 918 Cb 0.57 -1.24 -0.05 0.00 -0.61 0.00 0.00 39.78 38.46 1lb1 n ASN 918 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1lb1 n ALA 919 N 0.87 -0.17 -1.59 5.41 0.00 -1.26 -0.70 120.51 123.07 1lb1 n ALA 919 Ca -0.01 0.17 -0.02 0.00 0.00 0.00 0.00 53.44 53.58 1lb1 n ALA 919 Cb 0.42 -1.19 -0.01 0.00 0.00 0.00 0.00 19.45 18.68 1lb1 n ALA 919 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1lb1 n ARG 920 N -1.73 -0.18 0.00 0.00 0.63 -0.51 -4.90 116.66 109.97 1lb1 n ARG 920 Ca -0.11 0.34 0.14 0.00 -0.92 0.00 0.00 57.85 57.30 1lb1 n ARG 920 Cb 0.36 -3.96 0.66 0.00 0.45 0.00 0.00 32.46 29.97 1lb1 n ARG 920 CO 0.00 0.00 0.00 -0.85 -2.51 0.00 0.00 177.63 174.27 1lb1 n GLU 921 N -2.03 1.01 -3.52 -0.14 0.28 0.12 -4.55 120.64 111.81 1lb1 n GLU 921 Ca -0.03 -0.37 -0.18 0.00 -0.16 0.00 0.00 57.16 56.42 1lb1 n GLU 921 Cb 0.31 -1.49 -0.13 0.00 1.43 0.00 0.00 31.44 31.56 1lb1 n GLU 921 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 1lb1 s GLU 922 N -2.25 0.17 -0.11 3.44 2.12 -1.14 -1.26 118.70 119.67 1lb1 s GLU 922 Ca 0.35 0.27 0.03 0.00 0.36 0.00 0.00 54.97 55.98 1lb1 s GLU 922 Cb 0.21 -1.06 -0.00 0.00 0.26 0.00 0.00 34.13 33.54 1lb1 s GLU 922 CO 0.42 -0.60 -0.20 0.08 -0.54 0.00 0.00 175.26 174.41 1lb1 s VAL 923 N 2.33 2.40 -0.19 3.70 1.01 -1.26 0.43 120.40 128.82 1lb1 s VAL 923 Ca 0.06 -0.90 -0.01 0.00 0.00 0.00 0.00 61.98 61.14 1lb1 s VAL 923 Cb -0.15 -1.95 0.01 0.00 0.00 0.00 0.00 36.38 34.29 1lb1 s VAL 923 CO -0.11 0.55 -0.15 -0.31 0.00 0.00 0.00 175.10 175.08 1lb1 s TYR 924 N 0.36 2.84 -0.33 5.22 1.51 -0.89 -0.79 117.35 125.26 1lb1 s TYR 924 Ca -0.16 -1.40 -0.18 0.00 -1.01 0.00 0.00 57.07 54.33 1lb1 s TYR 924 Cb -0.17 -1.98 -0.01 0.00 -0.11 0.00 0.00 41.96 39.69 1lb1 s TYR 924 CO 0.08 -0.71 0.50 0.42 -1.11 0.00 0.00 175.55 174.73 1lb1 s ILE 925 N 1.33 5.04 -0.16 2.71 1.01 0.97 -0.55 121.20 131.53 1lb1 s ILE 925 Ca 0.05 0.45 -0.12 0.00 0.00 0.00 0.00 60.65 61.03 1lb1 s ILE 925 Cb -0.13 -3.92 -0.05 0.00 0.01 0.00 0.00 42.46 38.37 1lb1 s ILE 925 CO -0.09 -0.14 0.23 -0.63 0.00 0.00 0.00 174.94 174.31 1lb1 s ILE 926 N 2.36 5.35 -0.68 2.92 -1.09 0.35 -1.43 121.20 128.97 1lb1 s ILE 926 Ca 0.19 0.41 -0.16 0.00 -2.23 0.00 0.00 60.65 58.85 1lb1 s ILE 926 Cb -0.15 -3.56 0.15 0.00 -1.58 0.00 0.00 42.46 37.32 1lb1 s ILE 926 CO 0.12 0.44 0.69 -1.58 -1.23 0.00 0.00 174.94 173.38 1lb1 s GLN 927 N 0.23 3.25 0.01 2.79 2.00 -0.76 -2.28 119.66 124.90 1lb1 s GLN 927 Ca 0.14 -1.86 -0.30 0.00 -2.00 0.00 0.00 55.36 51.34 1lb1 s GLN 927 Cb -0.12 -4.38 -0.05 0.00 0.80 0.00 0.00 33.01 29.26 1lb1 s GLN 927 CO 0.02 -1.41 1.18 0.00 -0.50 0.00 0.00 175.29 174.59 1lb1 s ALA 928 N 1.50 3.41 0.53 1.58 0.00 -0.31 -4.09 121.76 124.38 1lb1 s ALA 928 Ca 0.12 0.74 0.23 0.00 0.00 0.00 0.00 51.96 53.05 1lb1 s ALA 928 Cb -0.20 -3.46 1.51 0.00 0.00 0.00 0.00 23.12 20.97 1lb1 s ALA 928 CO -0.01 -0.53 2.17 -1.00 0.00 0.00 0.00 175.76 176.39 1lb1 h PRO 929 N 7.05 0.00 -3.87 0.00 0.13 -1.91 -3.45 132.00 129.95 1lb1 h PRO 929 Ca -0.39 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.64 1lb1 h PRO 929 Cb 1.20 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.20 1lb1 h PRO 929 CO 0.83 0.03 -0.30 0.95 -0.23 0.00 0.00 178.00 179.28 1lb1 s THR 930 N -4.73 0.06 0.20 1.56 -4.23 -1.26 -5.06 115.64 102.18 1lb1 s THR 930 Ca -0.05 -1.38 -0.09 0.00 -1.18 0.00 0.00 61.69 59.00 1lb1 s THR 930 Cb 0.16 -1.86 0.13 0.00 1.34 0.00 0.00 72.50 72.26 1lb1 s THR 930 CO 0.61 -0.27 1.74 -0.65 -0.54 0.00 0.00 174.62 175.51 1lb1 h PRO 931 N 2.52 1.14 -0.54 3.99 0.11 -1.93 -2.30 132.00 134.98 1lb1 h PRO 931 Ca -0.31 -0.24 0.05 0.00 0.11 0.00 0.00 66.00 65.60 1lb1 h PRO 931 Cb 1.23 -0.16 -0.05 0.00 0.11 0.00 0.00 31.00 32.13 1lb1 h PRO 931 CO 0.47 0.97 0.27 0.93 -0.21 0.00 0.00 178.00 180.43 1lb1 h GLU 932 N 1.08 0.50 -0.38 1.05 3.07 -1.99 0.33 114.58 118.24 1lb1 h GLU 932 Ca 0.24 -0.03 -0.06 0.00 -0.50 0.00 0.00 59.36 59.00 1lb1 h GLU 932 Cb 0.31 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.09 1lb1 h GLU 932 CO -0.01 0.33 -0.01 0.82 -1.40 0.00 0.00 179.01 178.74 1lb1 h ILE 933 N 0.52 1.26 -0.20 3.13 2.04 -1.94 -0.72 117.51 121.60 1lb1 h ILE 933 Ca 0.25 -1.02 0.04 0.00 1.00 0.00 0.00 64.86 65.12 1lb1 h ILE 933 Cb 0.17 1.17 -0.03 0.00 -0.74 0.00 0.00 36.82 37.38 1lb1 h ILE 933 CO -0.18 0.34 -0.02 0.50 0.00 0.00 0.00 178.15 178.79 1lb1 h LYS 934 N 0.50 0.04 -0.30 2.37 3.64 -0.97 -1.44 116.57 120.42 1lb1 h LYS 934 Ca 0.11 -0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.52 1lb1 h LYS 934 Cb 0.49 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.27 1lb1 h LYS 934 CO 0.02 0.02 0.10 0.00 -2.27 0.00 0.00 179.45 177.32 1lb1 h ALA 935 N 1.18 0.33 -0.33 5.00 0.00 -0.74 0.60 119.26 125.30 1lb1 h ALA 935 Ca 0.09 0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.07 1lb1 h ALA 935 Cb 0.13 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1lb1 h ALA 935 CO -0.18 -0.31 0.14 0.00 0.00 0.00 0.00 179.25 178.91 1lb1 h ALA 936 N 1.19 0.40 -0.21 0.00 0.00 -0.77 0.85 119.26 120.72 1lb1 h ALA 936 Ca 0.13 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1lb1 h ALA 936 Cb 0.11 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1lb1 h ALA 936 CO -0.14 -0.24 0.07 -1.49 0.00 0.00 0.00 179.25 177.45 1lb1 h TRP 937 N 0.30 0.34 -0.41 0.00 4.06 -0.91 -0.88 115.95 118.45 1lb1 h TRP 937 Ca 0.14 -0.03 0.04 0.00 2.06 0.00 0.00 58.89 61.10 1lb1 h TRP 937 Cb 0.09 -0.10 -0.04 0.00 -1.00 0.00 0.00 29.16 28.11 1lb1 h TRP 937 CO -0.12 0.40 0.19 0.28 -3.56 0.00 0.00 178.44 175.63 1lb1 h VAL 938 N 0.18 0.95 -0.25 1.49 2.07 -0.58 -0.37 116.25 119.73 1lb1 h VAL 938 Ca 0.07 -0.13 0.01 0.00 0.82 0.00 0.00 66.70 67.46 1lb1 h VAL 938 Cb 0.21 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 1lb1 h VAL 938 CO -0.00 0.07 0.15 0.78 0.02 0.00 0.00 177.57 178.59 1lb1 h ASN 939 N 0.39 0.25 -0.72 0.57 4.21 -0.69 -1.09 115.58 118.49 1lb1 h ASN 939 Ca 0.18 -0.00 -0.04 0.00 1.21 0.00 0.00 56.30 57.65 1lb1 h ASN 939 Cb 0.11 -0.05 -0.03 0.00 -1.12 0.00 0.00 38.32 37.23 1lb1 h ASN 939 CO -0.14 0.18 0.31 -0.33 -1.29 0.00 0.00 177.43 176.16 1lb1 h GLU 940 N 0.31 1.07 -0.02 0.81 4.39 -0.83 -0.58 114.58 119.72 1lb1 h GLU 940 Ca 0.10 -0.18 -0.00 0.00 0.34 0.00 0.00 59.36 59.61 1lb1 h GLU 940 Cb -0.01 -0.18 -0.00 0.00 -0.10 0.00 0.00 28.75 28.46 1lb1 h GLU 940 CO -0.04 0.86 0.01 0.82 -1.16 0.00 0.00 179.01 179.51 1lb1 h ILE 941 N 1.03 1.05 -0.76 3.13 1.08 -0.83 -2.32 117.51 119.89 1lb1 h ILE 941 Ca 0.24 -0.14 -0.02 0.00 -0.39 0.00 0.00 64.86 64.56 1lb1 h ILE 941 Cb 0.18 1.10 -0.04 0.00 -3.07 0.00 0.00 36.82 34.99 1lb1 h ILE 941 CO -0.02 0.04 0.41 0.03 -0.69 0.00 0.00 178.15 177.92 1lb1 h ARG 942 N -0.02 1.05 -0.30 2.37 3.08 -0.98 0.86 114.38 120.43 1lb1 h ARG 942 Ca 0.01 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 59.94 1lb1 h ARG 942 Cb 0.05 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 29.88 1lb1 h ARG 942 CO -0.00 0.77 0.19 0.87 -1.07 0.00 0.00 179.97 180.73 1lb1 h LYS 943 N 1.05 0.39 -0.31 0.04 1.57 -0.90 0.19 116.57 118.61 1lb1 h LYS 943 Ca 0.27 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 59.02 1lb1 h LYS 943 Cb 0.03 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 1lb1 h LYS 943 CO -0.04 0.27 0.19 0.28 -0.57 0.00 0.00 179.45 179.58 1lb1 h VAL 944 N 0.39 1.11 -0.12 0.50 2.07 -0.88 -0.95 116.25 118.37 1lb1 h VAL 944 Ca 0.11 -0.27 -0.04 0.00 0.82 0.00 0.00 66.70 67.33 1lb1 h VAL 944 Cb -0.03 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 1lb1 h VAL 944 CO -0.02 0.11 -0.09 -0.07 0.02 0.00 0.00 177.57 177.52 1lb1 h LEU 945 N 0.40 0.17 -0.39 2.57 3.38 -0.57 -1.27 115.31 119.59 1lb1 h LEU 945 Ca 0.11 -0.03 -0.17 0.00 0.09 0.00 0.00 57.88 57.88 1lb1 h LEU 945 Cb 0.02 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 1lb1 h LEU 945 CO -0.02 0.29 -0.53 0.74 0.09 0.00 0.00 178.44 179.01 1lb1 h THR 946 N 0.18 1.29 -0.32 0.22 2.02 0.08 -2.80 112.91 113.57 1lb1 h THR 946 Ca 0.04 -1.73 -0.07 0.00 0.77 0.00 0.00 66.41 65.42 1lb1 h THR 946 Cb 0.28 1.65 -0.01 0.00 -1.74 0.00 0.00 68.15 68.32 1lb1 h THR 946 CO 0.01 0.56 -0.06 0.28 0.37 0.00 0.00 175.52 176.68 1lb1 h SER 947 N 0.59 0.62 -0.76 4.18 0.02 -0.59 -2.31 113.55 115.31 1lb1 h SER 947 Ca 0.02 -0.35 0.16 0.00 -0.84 0.00 0.00 61.79 60.77 1lb1 h SER 947 Cb 1.11 -0.17 -0.10 0.00 0.14 0.00 0.00 62.40 63.38 1lb1 h SER 947 CO 0.11 0.83 0.26 -0.61 -1.14 0.00 0.00 176.83 176.28 1lb1 h GLN 948 N 0.40 0.36 0.28 3.45 4.15 -1.25 0.39 115.11 122.88 1lb1 h GLN 948 Ca 0.08 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.47 1lb1 h GLN 948 Cb 0.55 -0.08 -0.00 0.00 0.21 0.00 0.00 27.48 28.16 1lb1 h GLN 948 CO 0.03 0.24 -0.17 1.25 -1.93 0.00 0.00 178.83 178.24 1lb1 h LEU 949 N 0.37 -0.43 -0.41 -2.39 5.85 -1.21 0.20 115.31 117.29 1lb1 h LEU 949 Ca 0.43 0.02 0.00 0.00 0.84 0.00 0.00 57.88 59.17 1lb1 h LEU 949 Cb 0.69 0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.85 1lb1 h LEU 949 CO -0.46 -0.26 0.16 1.67 -0.34 0.00 0.00 178.44 179.21 1lb1 n GLN 950 N -3.30 0.04 -0.07 1.25 -0.06 -0.84 -0.83 117.38 113.57 1lb1 n GLN 950 Ca -0.05 0.45 -0.05 0.00 -2.00 0.00 0.00 57.00 55.35 1lb1 n GLN 950 Cb 0.17 -1.80 -0.14 0.00 -4.06 0.00 0.00 30.24 24.42 1lb1 n GLN 950 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1lb1 n ALA 951 N -1.47 1.78 0.87 1.69 0.00 0.07 -4.38 120.51 119.07 1lb1 n ALA 951 Ca -0.00 -1.02 0.00 0.00 0.00 0.00 0.00 53.44 52.42 1lb1 n ALA 951 Cb 0.17 -0.22 0.00 0.00 0.00 0.00 0.00 19.45 19.40 1lb1 n ALA 951 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50