#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rj2 h GLU 625 N 0.00 -0.65 0.00 5.31 5.08 -2.04 -0.63 114.58 121.65 1rj2 h GLU 625 Ca 0.00 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1rj2 h GLU 625 Cb 0.00 0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1rj2 h GLU 625 CO 0.00 -0.43 0.41 -1.91 -1.00 0.00 0.00 179.01 176.07 1rj2 n GLU 626 N -4.48 0.06 -0.08 2.33 4.07 -1.26 -0.81 120.64 120.47 1rj2 n GLU 626 Ca -0.08 0.50 -0.13 0.00 -0.06 0.00 0.00 57.16 57.39 1rj2 n GLU 626 Cb 0.31 -2.10 -0.06 0.00 -0.06 0.00 0.00 31.44 29.52 1rj2 n GLU 626 CO 0.00 0.00 0.00 1.49 -0.06 0.00 0.00 177.13 178.56 1rj2 h GLU 627 N 0.00 0.00 0.14 5.31 4.57 -1.58 -3.14 114.58 119.88 1rj2 h GLU 627 Ca 0.00 0.00 0.01 0.00 -1.18 0.00 0.00 59.36 58.19 1rj2 h GLU 627 Cb 0.82 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.39 1rj2 h GLU 627 CO 0.00 0.50 -0.18 0.66 -1.18 0.00 0.00 179.01 178.81 1rj2 h SER 628 N -1.00 -0.49 -0.75 1.04 4.64 -0.50 -2.43 113.55 114.06 1rj2 h SER 628 Ca -0.16 0.05 0.16 0.00 -0.47 0.00 0.00 61.79 61.37 1rj2 h SER 628 Cb 0.86 0.18 -0.14 0.00 -0.31 0.00 0.00 62.40 62.99 1rj2 h SER 628 CO -0.10 -0.26 -0.10 -0.07 -0.87 0.00 0.00 176.83 175.43 1rj2 h LEU 629 N -0.37 -0.54 -1.22 5.97 3.38 -1.16 0.16 115.31 121.53 1rj2 h LEU 629 Ca 0.01 0.21 0.04 0.00 0.09 0.00 0.00 57.88 58.24 1rj2 h LEU 629 Cb 0.37 0.41 -0.05 0.00 0.09 0.00 0.00 40.66 41.48 1rj2 h LEU 629 CO -0.07 -0.22 0.54 0.00 0.09 0.00 0.00 178.44 178.78 1rj2 h ALA 630 N 1.73 1.52 -0.16 1.53 0.00 -1.39 0.01 119.26 122.50 1rj2 h ALA 630 Ca 0.38 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.16 1rj2 h ALA 630 Cb 0.63 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1rj2 h ALA 630 CO -0.72 0.38 -0.29 0.97 0.00 0.00 0.00 179.25 179.59 1rj2 h ILE 631 N 0.99 1.35 -0.85 0.00 2.10 -0.44 -2.59 117.51 118.07 1rj2 h ILE 631 Ca 0.34 -1.54 0.14 0.00 1.08 0.00 0.00 64.86 64.87 1rj2 h ILE 631 Cb 0.09 1.96 -0.09 0.00 -1.09 0.00 0.00 36.82 37.69 1rj2 h ILE 631 CO -0.11 0.46 0.45 -0.07 -1.08 0.00 0.00 178.15 177.81 1rj2 h LEU 632 N 0.11 0.58 -0.87 2.19 3.38 -0.25 0.68 115.31 121.13 1rj2 h LEU 632 Ca 0.01 0.08 0.14 0.00 0.09 0.00 0.00 57.88 58.20 1rj2 h LEU 632 Cb 0.88 -0.02 -0.09 0.00 0.09 0.00 0.00 40.66 41.53 1rj2 h LEU 632 CO 0.07 0.27 0.47 0.03 0.09 0.00 0.00 178.44 179.37 1rj2 h ARG 633 N 0.67 0.67 -0.21 1.13 3.08 -0.80 -0.21 114.38 118.72 1rj2 h ARG 633 Ca 0.45 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.47 1rj2 h ARG 633 Cb 0.59 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 1rj2 h ARG 633 CO -0.33 0.44 0.12 -0.09 -1.07 0.00 0.00 179.97 179.03 1rj2 h ARG 634 N 0.69 0.23 -0.29 0.04 9.65 0.69 0.44 114.38 125.83 1rj2 h ARG 634 Ca 0.47 -0.01 0.04 0.00 -1.10 0.00 0.00 59.98 59.37 1rj2 h ARG 634 Cb 0.62 -0.05 -0.04 0.00 -1.39 0.00 0.00 29.97 29.11 1rj2 h ARG 634 CO -0.34 0.16 0.05 0.45 2.80 0.00 0.00 179.97 183.09 1rj2 h HIS 635 N 0.24 0.09 0.39 2.20 3.86 0.27 0.44 115.15 122.64 1rj2 h HIS 635 Ca 0.08 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.30 1rj2 h HIS 635 Cb 0.00 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.46 1rj2 h HIS 635 CO -0.08 0.02 -0.30 0.28 0.86 0.00 0.00 177.93 178.71 1rj2 h VAL 636 N 0.16 0.38 -0.83 2.45 2.07 -0.81 -0.60 116.25 119.07 1rj2 h VAL 636 Ca 0.14 0.00 0.23 0.00 0.82 0.00 0.00 66.70 67.88 1rj2 h VAL 636 Cb 0.15 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 30.26 1rj2 h VAL 636 CO -0.18 0.00 0.58 -0.03 0.02 0.00 0.00 177.57 177.96 1rj2 h MET 637 N -0.69 0.08 -0.01 1.57 -1.53 -0.32 0.13 114.93 114.17 1rj2 h MET 637 Ca -0.04 -0.00 -0.20 0.00 -3.44 0.00 0.00 59.70 56.02 1rj2 h MET 637 Cb 0.59 -0.02 0.02 0.00 -0.55 0.00 0.00 31.60 31.64 1rj2 h MET 637 CO -0.00 0.05 -0.79 -0.91 0.14 0.00 0.00 176.91 175.40 1rj2 h ASN 638 N 0.09 0.71 -0.77 1.39 2.35 0.94 -2.54 115.58 117.75 1rj2 h ASN 638 Ca 0.40 -0.74 -0.04 0.00 -0.55 0.00 0.00 56.30 55.37 1rj2 h ASN 638 Cb 1.46 -0.22 -0.04 0.00 0.05 0.00 0.00 38.32 39.58 1rj2 h ASN 638 CO -0.04 1.36 0.34 -0.08 -1.65 0.00 0.00 177.43 177.36 1rj2 h GLU 639 N 0.14 1.14 -0.26 0.81 4.81 0.40 -0.72 114.58 120.90 1rj2 h GLU 639 Ca -0.10 -0.18 0.02 0.00 -0.13 0.00 0.00 59.36 58.97 1rj2 h GLU 639 Cb 1.47 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 30.63 1rj2 h GLU 639 CO 0.16 0.90 0.11 1.25 -0.73 0.00 0.00 179.01 180.69 1rj2 h LEU 640 N 1.12 0.14 -0.18 1.64 5.85 -1.02 -1.07 115.31 121.79 1rj2 h LEU 640 Ca 0.26 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.96 1rj2 h LEU 640 Cb 0.17 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 1rj2 h LEU 640 CO -0.03 0.12 -0.06 -0.07 -0.34 0.00 0.00 178.44 178.05 1rj2 h LEU 641 N 0.24 0.37 0.69 2.25 4.07 -1.08 -0.77 115.31 121.08 1rj2 h LEU 641 Ca 0.11 -0.39 -0.03 0.00 0.08 0.00 0.00 57.88 57.65 1rj2 h LEU 641 Cb 0.06 -0.10 -0.01 0.00 1.08 0.00 0.00 40.66 41.69 1rj2 h LEU 641 CO -0.10 0.67 -0.45 0.44 -1.08 0.00 0.00 178.44 177.93 1rj2 h ASP 642 N 0.06 -1.15 -0.93 -0.43 3.32 -1.03 -1.65 116.42 114.60 1rj2 h ASP 642 Ca 0.04 0.07 0.21 0.00 0.02 0.00 0.00 57.03 57.37 1rj2 h ASP 642 Cb 0.52 0.34 -0.07 0.00 0.22 0.00 0.00 39.33 40.34 1rj2 h ASP 642 CO 0.02 -0.68 0.61 0.71 -1.72 0.00 0.00 179.24 178.18 1rj2 h THR 643 N -1.07 0.67 -0.54 0.35 1.35 -1.26 0.30 112.91 112.70 1rj2 h THR 643 Ca -0.09 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 65.62 1rj2 h THR 643 Cb 0.87 0.18 -0.03 0.00 -1.73 0.00 0.00 68.15 67.44 1rj2 h THR 643 CO 0.08 0.08 0.35 -0.08 -0.25 0.00 0.00 175.52 175.70 1rj2 h GLU 644 N 0.45 0.71 0.35 4.72 4.57 -0.37 0.25 114.58 125.26 1rj2 h GLU 644 Ca 0.49 -0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.61 1rj2 h GLU 644 Cb 1.17 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 29.60 1rj2 h GLU 644 CO -0.21 0.48 -0.17 0.00 -1.18 0.00 0.00 179.01 177.94 1rj2 h ARG 645 N 0.73 -0.45 -0.99 1.92 3.08 -0.25 -1.86 114.38 116.56 1rj2 h ARG 645 Ca 0.20 0.03 0.16 0.00 0.07 0.00 0.00 59.98 60.43 1rj2 h ARG 645 Cb -0.07 0.10 -0.16 0.00 0.08 0.00 0.00 29.97 29.93 1rj2 h ARG 645 CO -0.04 -0.14 -0.38 0.00 -1.07 0.00 0.00 179.97 178.34 1rj2 n ALA 646 N -2.51 -0.10 0.08 0.04 0.00 -0.06 -0.44 120.51 117.52 1rj2 n ALA 646 Ca -0.10 0.99 -0.11 0.00 0.00 0.00 0.00 53.44 54.22 1rj2 n ALA 646 Cb 0.27 -0.45 -0.07 0.00 0.00 0.00 0.00 19.45 19.20 1rj2 n ALA 646 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1rj2 h TYR 647 N 0.00 -1.03 -0.75 0.00 3.20 -0.35 0.23 116.97 118.27 1rj2 h TYR 647 Ca 0.35 0.03 0.17 0.00 3.14 0.00 0.00 58.73 62.42 1rj2 h TYR 647 Cb 0.60 0.44 -0.12 0.00 1.54 0.00 0.00 36.73 39.19 1rj2 h TYR 647 CO -0.86 -0.41 0.12 0.28 -1.64 0.00 0.00 178.16 175.65 1rj2 h VAL 648 N -0.52 0.43 0.42 1.81 2.07 -0.17 0.03 116.25 120.32 1rj2 h VAL 648 Ca -0.01 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 1rj2 h VAL 648 Cb 0.52 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 1rj2 h VAL 648 CO -0.18 0.04 -0.40 -0.33 0.02 0.00 0.00 177.57 176.71 1rj2 h GLU 649 N 0.19 -0.81 -0.24 1.57 5.08 0.00 -1.81 114.58 118.57 1rj2 h GLU 649 Ca 0.43 0.05 0.04 0.00 -1.00 0.00 0.00 59.36 58.89 1rj2 h GLU 649 Cb 0.76 0.18 -0.04 0.00 0.50 0.00 0.00 28.75 30.15 1rj2 h GLU 649 CO -0.58 -0.54 -0.03 0.93 -1.00 0.00 0.00 179.01 177.79 1rj2 h GLU 650 N -0.84 0.03 -0.64 2.33 5.08 0.80 -1.62 114.58 119.73 1rj2 h GLU 650 Ca -0.04 -0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.38 1rj2 h GLU 650 Cb 0.74 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.94 1rj2 h GLU 650 CO -0.05 0.02 0.43 -0.07 -1.00 0.00 0.00 179.01 178.34 1rj2 h LEU 651 N 0.04 0.58 0.64 1.33 3.38 -1.00 -2.94 115.31 117.33 1rj2 h LEU 651 Ca 0.11 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 1rj2 h LEU 651 Cb 0.16 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 40.79 1rj2 h LEU 651 CO -0.22 0.38 -0.31 0.25 0.09 0.00 0.00 178.44 178.64 1rj2 h LEU 652 N 0.67 -0.73 -0.48 1.67 5.85 -0.59 -2.28 115.31 119.43 1rj2 h LEU 652 Ca 0.27 0.03 0.00 0.00 0.84 0.00 0.00 57.88 59.02 1rj2 h LEU 652 Cb 0.23 0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.45 1rj2 h LEU 652 CO -0.08 -0.34 0.20 0.00 -0.34 0.00 0.00 178.44 177.88 1rj2 n VAL 654 N -1.70 1.30 -0.36 0.00 0.31 -1.12 -1.65 118.33 115.11 1rj2 n VAL 654 Ca -0.00 -0.64 -0.01 0.00 -0.01 0.00 0.00 64.34 63.67 1rj2 n VAL 654 Cb 0.21 -0.93 0.11 0.00 -0.91 0.00 0.00 33.84 32.33 1rj2 n VAL 654 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1rj2 h LEU 655 N 0.00 1.07 0.13 7.52 3.38 -0.35 0.16 115.31 127.21 1rj2 h LEU 655 Ca -0.51 -0.02 -0.30 0.00 0.09 0.00 0.00 57.88 57.14 1rj2 h LEU 655 Cb 1.97 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 42.46 1rj2 h LEU 655 CO -0.03 0.75 -1.53 -0.33 0.09 0.00 0.00 178.44 177.40 1rj2 h GLU 656 N 1.25 0.28 0.00 1.13 5.08 -1.53 1.30 114.58 122.08 1rj2 h GLU 656 Ca 0.36 -0.47 -0.05 0.00 -1.00 0.00 0.00 59.36 58.20 1rj2 h GLU 656 Cb -0.08 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1rj2 h GLU 656 CO -0.10 1.23 -0.22 0.78 -1.00 0.00 0.00 179.01 179.69 1rj2 h GLY 657 N 0.26 0.00 0.00 -3.84 0.00 -1.19 -3.32 103.07 94.98 1rj2 h GLY 657 Ca -0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.01 1rj2 h GLY 657 CO 0.09 0.00 0.00 -1.72 0.00 0.00 0.00 176.54 174.91 1rj2 n TYR 658 N -3.99 -0.59 0.23 5.60 4.02 0.52 -4.70 117.16 118.25 1rj2 n TYR 658 Ca -0.02 0.10 -0.15 0.00 -0.01 0.00 0.00 57.90 57.82 1rj2 n TYR 658 Cb 0.30 0.17 -0.08 0.00 -0.02 0.00 0.00 39.34 39.72 1rj2 n TYR 658 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1rj2 h ALA 659 N 0.00 -0.73 0.00 -0.72 0.00 -1.28 0.43 119.26 116.96 1rj2 h ALA 659 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1rj2 h ALA 659 Cb 0.00 0.47 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1rj2 h ALA 659 CO 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 179.25 178.31 1rj2 h ALA 660 N -0.23 1.00 0.00 0.00 0.00 0.15 0.47 119.26 120.65 1rj2 h ALA 660 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1rj2 h ALA 660 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1rj2 h ALA 660 CO -0.04 0.00 -0.46 0.39 0.00 0.00 0.00 179.25 179.14 1rj2 n GLU 661 N -2.47 0.24 0.07 0.00 -0.58 0.07 -3.72 120.64 114.25 1rj2 n GLU 661 Ca -0.02 0.10 -0.15 0.00 -0.42 0.00 0.00 57.16 56.67 1rj2 n GLU 661 Cb 0.05 -1.68 -0.07 0.00 -0.57 0.00 0.00 31.44 29.17 1rj2 n GLU 661 CO 0.00 0.00 0.00 0.52 -0.48 0.00 0.00 177.13 177.17 1rj2 h MET 662 N 0.00 0.43 0.00 3.49 2.86 -0.08 -2.89 114.93 118.74 1rj2 h MET 662 Ca 0.00 -0.50 0.00 0.00 -2.06 0.00 0.00 59.70 57.14 1rj2 h MET 662 Cb 0.70 0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.51 1rj2 h MET 662 CO 0.00 1.16 0.00 -0.25 1.06 0.00 0.00 176.91 178.88 1rj2 n ASP 663 N -3.73 0.00 -4.49 1.22 9.92 -1.23 -4.69 116.55 113.55 1rj2 n ASP 663 Ca -0.08 -1.66 -0.43 0.00 -0.53 0.00 0.00 54.79 52.10 1rj2 n ASP 663 Cb 0.87 0.00 -0.04 0.00 -0.64 0.00 0.00 41.12 41.31 1rj2 n ASP 663 CO 0.00 0.00 0.00 0.21 0.13 0.00 0.00 177.20 177.54 1rj2 s ASN 664 N -1.27 6.25 0.42 -2.24 3.04 -1.09 -4.91 114.94 115.15 1rj2 s ASN 664 Ca 0.09 -0.67 0.29 0.00 0.04 0.00 0.00 52.86 52.62 1rj2 s ASN 664 Cb 0.04 -2.42 1.45 0.00 -1.54 0.00 0.00 41.25 38.78 1rj2 s ASN 664 CO 0.07 -1.32 1.58 -0.65 -3.04 0.00 0.00 177.10 173.74 1rj2 h PRO 665 N 9.43 0.02 0.00 0.43 0.11 -1.89 1.00 132.00 141.10 1rj2 h PRO 665 Ca -0.27 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.83 1rj2 h PRO 665 Cb 1.07 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 1rj2 h PRO 665 CO 1.13 0.01 -0.02 1.25 -0.21 0.00 0.00 178.00 180.16 1rj2 h LEU 666 N 0.02 0.00 0.00 2.35 6.46 -1.94 -3.16 115.31 119.04 1rj2 h LEU 666 Ca 0.87 0.00 -0.33 0.00 -0.12 0.00 0.00 57.88 58.29 1rj2 h LEU 666 Cb 2.66 0.00 -0.06 0.00 -0.73 0.00 0.00 40.66 42.53 1rj2 h LEU 666 CO -0.54 0.02 -2.26 0.23 -0.62 0.00 0.00 178.44 175.28 1rj2 n MET 667 N -3.18 0.91 0.00 1.25 2.81 0.34 -4.70 117.12 114.56 1rj2 n MET 667 Ca -0.01 0.04 0.00 0.00 -1.81 0.00 0.00 57.70 55.91 1rj2 n MET 667 Cb 0.21 -1.46 0.00 0.00 -0.71 0.00 0.00 33.22 31.26 1rj2 n MET 667 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1rj2 n ALA 668 N -2.83 0.00 1.55 3.04 0.00 -0.96 0.27 120.51 121.59 1rj2 n ALA 668 Ca -0.33 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.13 1rj2 n ALA 668 Cb 1.04 0.00 0.14 0.00 0.00 0.00 0.00 19.45 20.63 1rj2 n ALA 668 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 1rj2 n HIS 669 N -2.85 0.00 -0.03 0.00 1.44 -1.26 -2.91 115.22 109.60 1rj2 n HIS 669 Ca 0.00 0.00 -0.03 0.00 -2.01 0.00 0.00 57.72 55.68 1rj2 n HIS 669 Cb 0.00 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.05 1rj2 n HIS 669 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1rj2 n LEU 670 N -0.60 0.00 -4.68 2.39 4.77 0.14 -4.96 117.00 114.07 1rj2 n LEU 670 Ca 0.04 -0.00 -0.47 0.00 -0.03 0.00 0.00 56.01 55.54 1rj2 n LEU 670 Cb 0.02 0.17 -0.04 0.00 -2.33 0.00 0.00 43.42 41.23 1rj2 n LEU 670 CO 0.03 0.17 1.50 -0.38 -1.33 0.00 0.00 177.39 177.38 1rj2 n ILE 671 N -2.26 0.59 -0.45 -0.08 2.08 -1.15 -3.87 119.36 114.22 1rj2 n ILE 671 Ca -0.11 -0.11 -0.03 0.00 0.56 0.00 0.00 62.75 63.06 1rj2 n ILE 671 Cb 0.73 -1.93 0.03 0.00 -0.75 0.00 0.00 39.64 37.71 1rj2 n ILE 671 CO 0.00 0.00 0.00 -1.54 0.56 0.00 0.00 176.55 175.57 1rj2 n SER 672 N 6.68 -1.34 -0.09 4.38 3.41 -1.26 -4.78 113.62 120.63 1rj2 n SER 672 Ca 0.22 -0.48 -0.19 0.00 -0.26 0.00 0.00 58.87 58.17 1rj2 n SER 672 Cb 0.31 -0.11 -0.12 0.00 -0.26 0.00 0.00 64.21 64.03 1rj2 n SER 672 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1rj2 h THR 673 N -1.74 1.28 0.00 6.66 2.02 -1.95 -2.69 112.91 116.48 1rj2 h THR 673 Ca -0.04 -2.25 0.00 0.00 0.77 0.00 0.00 66.41 64.89 1rj2 h THR 673 Cb 0.13 2.70 0.00 0.00 -1.74 0.00 0.00 68.15 69.25 1rj2 h THR 673 CO 0.03 0.43 0.00 1.23 0.37 0.00 0.00 175.52 177.58 1rj2 h GLY 674 N -1.00 0.00 0.32 2.16 0.00 -2.00 -2.58 103.07 99.97 1rj2 h GLY 674 Ca -0.21 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 46.86 1rj2 h GLY 674 CO -0.12 0.00 -1.39 -2.00 0.00 0.00 0.00 176.54 173.02 1rj2 h LEU 675 N 0.00 0.22 -9.23 3.11 7.12 -1.94 -3.47 115.31 111.11 1rj2 h LEU 675 Ca 0.00 -0.75 -0.67 0.00 0.13 0.00 0.00 57.88 56.60 1rj2 h LEU 675 Cb 0.08 -0.07 0.09 0.00 -0.53 0.00 0.00 40.66 40.23 1rj2 h LEU 675 CO 0.00 1.58 0.02 1.67 -0.13 0.00 0.00 178.44 181.59 1rj2 n GLN 676 N -4.07 0.75 -1.96 1.25 7.27 -0.97 -2.41 117.38 117.23 1rj2 n GLN 676 Ca -0.28 0.27 -0.15 0.00 0.07 0.00 0.00 57.00 56.91 1rj2 n GLN 676 Cb 0.82 -1.62 -0.03 0.00 2.41 0.00 0.00 30.24 31.82 1rj2 n GLN 676 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1rj2 n ASN 677 N 1.81 -4.57 -1.70 1.69 4.13 -1.26 -4.91 115.26 110.44 1rj2 n ASN 677 Ca 0.15 0.13 -0.01 0.00 1.68 0.00 0.00 54.58 56.53 1rj2 n ASN 677 Cb 0.24 -3.59 0.07 0.00 -1.54 0.00 0.00 39.78 34.96 1rj2 n ASN 677 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1rj2 n LYS 678 N -2.47 1.38 0.42 3.52 5.02 -1.01 -4.86 118.16 120.16 1rj2 n LYS 678 Ca -0.16 -3.03 -0.19 0.00 -2.02 0.00 0.00 58.31 52.91 1rj2 n LYS 678 Cb 0.58 -1.14 -0.10 0.00 -0.02 0.00 0.00 35.03 34.35 1rj2 n LYS 678 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 1rj2 h LYS 679 N 1.59 -1.13 0.00 1.97 3.64 -1.91 -0.29 116.57 120.44 1rj2 h LYS 679 Ca -0.06 0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1rj2 h LYS 679 Cb 1.48 0.26 0.00 0.00 -0.41 0.00 0.00 32.23 33.55 1rj2 h LYS 679 CO 0.20 -0.75 0.24 0.09 -2.27 0.00 0.00 179.45 176.96 1rj2 n ASN 680 N -5.47 0.30 -0.08 4.20 3.02 -1.26 -0.97 115.26 115.00 1rj2 n ASN 680 Ca -0.14 0.54 -0.10 0.00 -0.03 0.00 0.00 54.58 54.84 1rj2 n ASN 680 Cb 0.49 -0.51 -0.04 0.00 -0.61 0.00 0.00 39.78 39.10 1rj2 n ASN 680 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1rj2 n ILE 681 N -1.94 1.46 -0.33 2.41 5.41 -0.71 -1.66 119.36 123.99 1rj2 n ILE 681 Ca -0.01 0.13 0.11 0.00 1.00 0.00 0.00 62.75 63.98 1rj2 n ILE 681 Cb 0.26 -2.28 0.29 0.00 -0.71 0.00 0.00 39.64 37.19 1rj2 n ILE 681 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 176.55 176.80 1rj2 h LEU 682 N -1.00 0.70 0.00 1.39 5.85 0.00 -2.87 115.31 119.38 1rj2 h LEU 682 Ca -0.11 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.70 1rj2 h LEU 682 Cb 0.79 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.80 1rj2 h LEU 682 CO -0.07 0.25 -1.71 0.49 -0.34 0.00 0.00 178.44 177.07 1rj2 n PHE 683 N -4.81 0.14 -3.83 1.25 3.01 -0.15 -4.87 117.46 108.22 1rj2 n PHE 683 Ca 0.21 0.04 0.00 0.00 1.01 0.00 0.00 57.45 58.71 1rj2 n PHE 683 Cb 0.53 -0.51 0.00 0.00 -0.01 0.00 0.00 39.48 39.49 1rj2 n PHE 683 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1rj2 n GLY 684 N 1.28 0.92 1.18 1.37 0.00 -0.66 -2.19 105.19 107.08 1rj2 n GLY 684 Ca -0.02 -0.73 -0.04 0.00 0.00 0.00 0.00 46.02 45.23 1rj2 n GLY 684 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1rj2 n ASN 685 N -3.23 3.06 -0.07 1.61 2.04 -1.26 -4.56 115.26 112.84 1rj2 n ASN 685 Ca 0.00 -2.25 -0.04 0.00 -0.44 0.00 0.00 54.58 51.85 1rj2 n ASN 685 Cb 0.00 -0.55 -0.03 0.00 -2.53 0.00 0.00 39.78 36.67 1rj2 n ASN 685 CO 0.00 0.00 0.00 -0.03 -0.44 0.00 0.00 177.26 176.79 1rj2 h MET 686 N 0.18 -0.07 -0.91 -3.83 4.05 -1.84 0.93 114.93 113.44 1rj2 h MET 686 Ca 0.10 0.00 0.18 0.00 -0.28 0.00 0.00 59.70 59.71 1rj2 h MET 686 Cb 1.28 0.02 -0.17 0.00 -0.80 0.00 0.00 31.60 31.92 1rj2 h MET 686 CO 0.17 -0.04 -0.23 -1.91 0.23 0.00 0.00 176.91 175.13 1rj2 n GLU 687 N -3.54 -0.08 0.04 0.39 2.13 -1.26 0.08 120.64 118.39 1rj2 n GLU 687 Ca -0.00 1.42 -0.11 0.00 0.66 0.00 0.00 57.16 59.13 1rj2 n GLU 687 Cb 0.09 -2.12 -0.04 0.00 0.27 0.00 0.00 31.44 29.63 1rj2 n GLU 687 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1rj2 h GLU 688 N 0.00 -0.18 0.05 5.31 4.81 -1.22 -1.31 114.58 122.04 1rj2 h GLU 688 Ca 0.44 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.70 1rj2 h GLU 688 Cb 0.67 0.04 -0.05 0.00 0.63 0.00 0.00 28.75 30.03 1rj2 h GLU 688 CO -0.94 -0.12 -0.44 0.82 -0.73 0.00 0.00 179.01 177.60 1rj2 h ILE 689 N -0.19 0.12 -0.85 2.32 2.04 1.00 -2.47 117.51 119.48 1rj2 h ILE 689 Ca 0.05 0.00 0.22 0.00 1.00 0.00 0.00 64.86 66.13 1rj2 h ILE 689 Cb 0.26 0.12 -0.13 0.00 -0.74 0.00 0.00 36.82 36.32 1rj2 h ILE 689 CO -0.14 0.00 0.25 0.22 0.00 0.00 0.00 178.15 178.48 1rj2 h TYR 690 N -0.63 0.39 -0.41 1.37 3.20 -0.51 0.46 116.97 120.85 1rj2 h TYR 690 Ca 0.03 0.05 -0.03 0.00 3.14 0.00 0.00 58.73 61.92 1rj2 h TYR 690 Cb 0.68 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.90 1rj2 h TYR 690 CO -0.42 -0.16 0.14 0.45 -1.64 0.00 0.00 178.16 176.54 1rj2 h HIS 691 N 0.25 0.64 -0.54 -3.82 3.86 -0.80 0.63 115.15 115.37 1rj2 h HIS 691 Ca 0.52 -0.06 0.10 0.00 -1.16 0.00 0.00 60.37 59.78 1rj2 h HIS 691 Cb 1.02 -0.19 -0.08 0.00 1.06 0.00 0.00 27.41 29.22 1rj2 h HIS 691 CO -0.24 0.58 0.06 0.35 0.86 0.00 0.00 177.93 179.53 1rj2 h PHE 692 N 0.51 0.07 -0.12 2.45 3.57 -0.60 1.57 116.94 124.40 1rj2 h PHE 692 Ca 0.13 0.04 -0.11 0.00 3.53 0.00 0.00 57.97 61.56 1rj2 h PHE 692 Cb 0.23 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 1rj2 h PHE 692 CO 0.01 -0.08 -0.42 0.45 -2.23 0.00 0.00 178.31 176.03 1rj2 h HIS 693 N 0.18 0.32 0.06 0.41 3.86 -1.14 0.16 115.15 119.00 1rj2 h HIS 693 Ca 0.28 -0.09 -0.10 0.00 -1.16 0.00 0.00 60.37 59.29 1rj2 h HIS 693 Cb 0.41 -0.07 0.01 0.00 1.06 0.00 0.00 27.41 28.82 1rj2 h HIS 693 CO -0.28 0.66 -0.48 -0.97 0.86 0.00 0.00 177.93 177.71 1rj2 h ASN 694 N 0.23 0.21 0.84 2.45 -0.73 0.12 -2.60 115.58 116.09 1rj2 h ASN 694 Ca 0.02 -0.94 -0.20 0.00 1.87 0.00 0.00 56.30 57.05 1rj2 h ASN 694 Cb 0.85 -0.07 -0.02 0.00 0.27 0.00 0.00 38.32 39.35 1rj2 h ASN 694 CO 0.07 1.22 -0.93 0.03 -0.37 0.00 0.00 177.43 177.45 1rj2 h ARG 695 N -0.71 0.05 0.00 6.67 3.08 0.21 -3.45 114.38 120.23 1rj2 h ARG 695 Ca -0.10 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.89 1rj2 h ARG 695 Cb 1.32 0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.39 1rj2 h ARG 695 CO 0.05 0.94 0.00 -0.89 -1.07 0.00 0.00 179.97 179.00 1rj2 n ILE 696 N -3.50 0.51 0.19 2.04 -0.00 0.44 -4.86 119.36 114.17 1rj2 n ILE 696 Ca -0.01 0.17 -0.15 0.00 -0.00 0.00 0.00 62.75 62.75 1rj2 n ILE 696 Cb 0.86 -1.21 -0.08 0.00 -0.00 0.00 0.00 39.64 39.21 1rj2 n ILE 696 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.55 176.70 1rj2 h PHE 697 N 0.00 -1.07 -0.71 1.39 3.57 -1.29 0.35 116.94 119.19 1rj2 h PHE 697 Ca 0.00 0.02 0.15 0.00 3.53 0.00 0.00 57.97 61.67 1rj2 h PHE 697 Cb 0.00 0.43 -0.13 0.00 2.79 0.00 0.00 35.95 39.04 1rj2 h PHE 697 CO 0.00 -0.52 -0.09 1.25 -2.23 0.00 0.00 178.31 176.72 1rj2 h LEU 698 N -0.72 -0.50 0.19 0.59 6.46 -1.72 0.89 115.31 120.49 1rj2 h LEU 698 Ca -0.01 0.20 0.01 0.00 -0.12 0.00 0.00 57.88 57.96 1rj2 h LEU 698 Cb 0.69 0.38 -0.03 0.00 -0.73 0.00 0.00 40.66 40.97 1rj2 h LEU 698 CO -0.13 -0.20 -0.27 0.03 -0.62 0.00 0.00 178.44 177.24 1rj2 h ARG 699 N 0.05 -0.51 0.00 1.25 3.08 -1.72 0.10 114.38 116.64 1rj2 h ARG 699 Ca 0.36 0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.44 1rj2 h ARG 699 Cb 0.59 0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.76 1rj2 h ARG 699 CO -0.68 -0.34 -0.01 0.93 -1.07 0.00 0.00 179.97 178.80 1rj2 h GLU 700 N -0.53 0.00 0.07 0.04 5.08 0.17 -2.48 114.58 116.94 1rj2 h GLU 700 Ca 0.01 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.22 1rj2 h GLU 700 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1rj2 h GLU 700 CO -0.11 0.01 -0.76 -0.07 -1.00 0.00 0.00 179.01 177.07 1rj2 h LEU 701 N 0.00 0.24 -1.15 1.33 3.38 0.17 -3.28 115.31 115.99 1rj2 h LEU 701 Ca -0.00 -0.88 0.00 0.00 0.09 0.00 0.00 57.88 57.08 1rj2 h LEU 701 Cb 0.15 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1rj2 h LEU 701 CO 0.00 1.34 0.13 -0.62 0.09 0.00 0.00 178.44 179.38 1rj2 n GLU 702 N -4.27 0.11 0.10 1.13 1.02 0.26 -0.71 120.64 118.28 1rj2 n GLU 702 Ca -0.18 0.60 0.12 0.00 -0.02 0.00 0.00 57.16 57.68 1rj2 n GLU 702 Cb 0.72 -2.00 0.46 0.00 -0.02 0.00 0.00 31.44 30.59 1rj2 n GLU 702 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1rj2 n SER 703 N -2.14 0.63 -1.49 1.62 3.41 -1.10 -2.44 113.62 112.11 1rj2 n SER 703 Ca -0.01 0.61 0.09 0.00 -0.26 0.00 0.00 58.87 59.30 1rj2 n SER 703 Cb 0.15 -0.76 0.34 0.00 -0.26 0.00 0.00 64.21 63.68 1rj2 n SER 703 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rj2 h ILE 705 N 3.69 0.22 -0.61 0.00 6.09 -1.62 -0.83 117.51 124.45 1rj2 h ILE 705 Ca 0.00 0.00 -0.36 0.00 -1.37 0.00 0.00 64.86 63.13 1rj2 h ILE 705 Cb 1.48 0.22 -0.18 0.00 0.47 0.00 0.00 36.82 38.80 1rj2 h ILE 705 CO 0.25 0.00 0.46 0.47 -3.07 0.00 0.00 178.15 176.26 1rj2 n ASP 706 N -5.42 4.94 -2.67 2.19 8.00 -1.26 -4.25 116.55 118.07 1rj2 n ASP 706 Ca 0.03 -3.10 -0.03 0.00 0.71 0.00 0.00 54.79 52.40 1rj2 n ASP 706 Cb 0.34 -0.85 0.11 0.00 -0.02 0.00 0.00 41.12 40.70 1rj2 n ASP 706 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1rj2 h PRO 708 N 2.22 0.66 -0.26 0.00 0.13 -1.69 -1.52 132.00 131.54 1rj2 h PRO 708 Ca -0.31 -0.04 0.08 0.00 -0.87 0.00 0.00 66.00 64.86 1rj2 h PRO 708 Cb 1.21 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 32.18 1rj2 h PRO 708 CO -0.00 0.43 0.41 0.93 -0.23 0.00 0.00 178.00 179.55 1rj2 h GLU 709 N 0.68 0.00 -0.00 0.86 3.07 -1.90 0.35 114.58 117.64 1rj2 h GLU 709 Ca 0.51 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.37 1rj2 h GLU 709 Cb 0.75 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.66 1rj2 h GLU 709 CO -0.38 0.00 -0.20 1.28 -1.40 0.00 0.00 179.01 178.31 1rj2 n LEU 710 N -3.41 0.60 0.21 1.33 4.77 -0.57 -3.99 117.00 115.94 1rj2 n LEU 710 Ca 0.04 -0.03 0.18 0.00 -0.03 0.00 0.00 56.01 56.17 1rj2 n LEU 710 Cb 0.54 -0.20 0.84 0.00 -2.33 0.00 0.00 43.42 42.27 1rj2 n LEU 710 CO 0.22 0.12 1.16 1.62 -1.33 0.00 0.00 177.39 179.17 1rj2 h VAL 711 N 0.63 0.34 -0.30 4.08 3.04 -0.39 0.79 116.25 124.45 1rj2 h VAL 711 Ca 0.00 0.00 0.09 0.00 -1.01 0.00 0.00 66.70 65.78 1rj2 h VAL 711 Cb 0.43 0.78 -0.01 0.00 -2.01 0.00 0.00 31.29 30.48 1rj2 h VAL 711 CO 0.00 0.00 0.24 1.23 -1.01 0.00 0.00 177.57 178.03 1rj2 h GLY 712 N 0.00 0.00 0.90 3.17 0.00 -1.77 -2.50 103.07 102.87 1rj2 h GLY 712 Ca 0.09 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.41 1rj2 h GLY 712 CO -0.00 0.00 -0.09 -0.09 0.00 0.00 0.00 176.54 176.36 1rj2 h ARG 713 N 0.00 -0.24 -0.75 4.80 9.65 -1.14 -3.10 114.38 123.60 1rj2 h ARG 713 Ca 0.14 0.02 0.13 0.00 -1.10 0.00 0.00 59.98 59.17 1rj2 h ARG 713 Cb 0.62 0.06 -0.14 0.00 -1.39 0.00 0.00 29.97 29.12 1rj2 h ARG 713 CO -0.00 -0.08 -0.30 0.00 2.80 0.00 0.00 179.97 182.39 1rj2 h PHE 715 N -0.07 1.17 -0.16 0.00 -1.00 -1.65 -2.05 116.94 113.17 1rj2 h PHE 715 Ca 0.31 0.03 -0.12 0.00 2.81 0.00 0.00 57.97 60.99 1rj2 h PHE 715 Cb 0.57 -0.39 -0.01 0.00 3.61 0.00 0.00 35.95 39.74 1rj2 h PHE 715 CO -0.69 0.64 -0.44 -0.07 -1.61 0.00 0.00 178.31 176.14 1rj2 h LEU 716 N 1.17 0.42 0.00 1.54 3.38 -0.80 -1.45 115.31 119.56 1rj2 h LEU 716 Ca 0.40 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1rj2 h LEU 716 Cb 0.10 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1rj2 h LEU 716 CO -0.14 0.80 0.00 -0.62 0.09 0.00 0.00 178.44 178.57 1rj2 n GLU 717 N -4.01 0.93 -0.14 1.13 1.02 -0.12 -3.30 120.64 116.16 1rj2 n GLU 717 Ca -0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 1rj2 n GLU 717 Cb 0.52 -1.17 0.00 0.00 -0.02 0.00 0.00 31.44 30.77 1rj2 n GLU 717 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1rj2 n ARG 718 N -0.67 0.00 -0.02 3.49 5.12 -0.96 -4.86 116.66 118.76 1rj2 n ARG 718 Ca 0.08 -0.59 0.21 0.00 -1.93 0.00 0.00 57.85 55.61 1rj2 n ARG 718 Cb 0.03 -0.46 0.69 0.00 -1.16 0.00 0.00 32.46 31.56 1rj2 n ARG 718 CO 0.00 0.00 0.00 0.52 -1.93 0.00 0.00 177.63 176.22 1rj2 h MET 719 N 0.00 0.00 -0.13 5.56 2.86 -1.27 0.41 114.93 122.36 1rj2 h MET 719 Ca 0.00 -0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.54 1rj2 h MET 719 Cb 1.10 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.77 1rj2 h MET 719 CO 0.00 0.00 -0.33 1.49 1.06 0.00 0.00 176.91 179.13 1rj2 h GLU 720 N 0.00 0.45 -0.73 1.72 4.81 -1.88 -3.01 114.58 115.95 1rj2 h GLU 720 Ca 0.27 -0.31 0.06 0.00 -0.13 0.00 0.00 59.36 59.25 1rj2 h GLU 720 Cb 1.07 0.05 -0.06 0.00 0.63 0.00 0.00 28.75 30.44 1rj2 h GLU 720 CO -0.00 0.92 0.42 0.93 -0.73 0.00 0.00 179.01 180.55 1rj2 h GLU 721 N 0.05 0.75 0.00 1.92 3.07 -0.85 -1.11 114.58 118.41 1rj2 h GLU 721 Ca -0.00 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.81 1rj2 h GLU 721 Cb 0.94 -0.17 0.00 0.00 -0.84 0.00 0.00 28.75 28.68 1rj2 h GLU 721 CO 0.07 0.50 0.09 0.74 -1.40 0.00 0.00 179.01 179.01 1rj2 h PHE 722 N 0.77 0.00 -0.31 4.33 -1.00 -0.26 -2.05 116.94 118.42 1rj2 h PHE 722 Ca 0.32 0.00 0.09 0.00 2.81 0.00 0.00 57.97 61.19 1rj2 h PHE 722 Cb 0.19 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.74 1rj2 h PHE 722 CO -0.06 0.00 0.44 1.96 -1.61 0.00 0.00 178.31 179.04 1rj2 h GLN 723 N 0.00 0.00 -0.21 1.51 4.20 -1.15 0.29 115.11 119.76 1rj2 h GLN 723 Ca 0.00 0.00 0.06 0.00 0.06 0.00 0.00 58.65 58.77 1rj2 h GLN 723 Cb 0.18 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 1rj2 h GLN 723 CO 0.00 0.00 0.18 -0.84 -0.67 0.00 0.00 178.83 177.50 1rj2 h ILE 724 N 0.00 0.66 -0.10 2.54 3.07 -1.57 -0.13 117.51 121.98 1rj2 h ILE 724 Ca 0.15 0.00 -0.14 0.00 1.55 0.00 0.00 64.86 66.41 1rj2 h ILE 724 Cb 1.02 0.86 -0.01 0.00 -0.27 0.00 0.00 36.82 38.43 1rj2 h ILE 724 CO -0.00 0.00 -0.56 1.88 -1.05 0.00 0.00 178.15 178.42 1rj2 h TYR 725 N 0.00 0.37 0.11 0.16 -1.99 -0.66 -1.80 116.97 113.16 1rj2 h TYR 725 Ca 0.10 -0.13 0.00 0.00 2.00 0.00 0.00 58.73 60.70 1rj2 h TYR 725 Cb 0.46 -0.07 -0.01 0.00 2.00 0.00 0.00 36.73 39.11 1rj2 h TYR 725 CO 0.00 0.79 -0.11 0.93 -0.00 0.00 0.00 178.16 179.77 1rj2 h GLU 726 N 0.23 -0.23 -0.48 4.88 5.08 -1.16 0.24 114.58 123.13 1rj2 h GLU 726 Ca 0.00 0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.47 1rj2 h GLU 726 Cb 1.06 0.05 -0.10 0.00 0.50 0.00 0.00 28.75 30.26 1rj2 h GLU 726 CO 0.09 -0.15 -0.33 -0.22 -1.00 0.00 0.00 179.01 177.39 1rj2 h LYS 727 N -0.24 -0.21 -0.30 2.33 3.64 -1.33 0.35 116.57 120.82 1rj2 h LYS 727 Ca 0.01 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.43 1rj2 h LYS 727 Cb 0.23 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.07 1rj2 h LYS 727 CO -0.03 -0.14 0.11 -0.92 -2.27 0.00 0.00 179.45 176.20 1rj2 h TYR 728 N -0.21 0.21 -0.65 1.91 3.20 -0.78 -2.96 116.97 117.68 1rj2 h TYR 728 Ca 0.20 0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.99 1rj2 h TYR 728 Cb 0.54 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.74 1rj2 h TYR 728 CO -0.59 0.10 0.06 0.00 -1.64 0.00 0.00 178.16 176.10 1rj2 h GLN 730 N 1.02 0.00 0.00 0.00 4.20 -0.26 -1.88 115.11 118.20 1rj2 h GLN 730 Ca 0.19 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.90 1rj2 h GLN 730 Cb 0.50 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.28 1rj2 h GLN 730 CO 0.02 0.02 -1.25 -1.71 -0.67 0.00 0.00 178.83 175.24 1rj2 n ASN 731 N -3.18 0.70 -0.02 1.46 2.85 -0.95 -4.61 115.26 111.51 1rj2 n ASN 731 Ca -0.02 -0.66 -0.09 0.00 -0.11 0.00 0.00 54.58 53.70 1rj2 n ASN 731 Cb 0.17 1.23 -0.03 0.00 1.24 0.00 0.00 39.78 42.39 1rj2 n ASN 731 CO 0.00 0.00 0.00 0.50 -2.11 0.00 0.00 177.26 175.65 1rj2 h LYS 732 N 0.00 -0.30 -0.54 1.20 1.63 -0.45 -1.59 116.57 116.51 1rj2 h LYS 732 Ca 0.00 0.02 0.10 0.00 -0.85 0.00 0.00 60.65 59.93 1rj2 h LYS 732 Cb 0.65 0.07 -0.09 0.00 -0.60 0.00 0.00 32.23 32.26 1rj2 h LYS 732 CO 0.00 -0.20 0.04 -1.00 -3.45 0.00 0.00 179.45 174.83 1rj2 h PRO 733 N -0.32 0.15 -0.15 1.90 0.13 -1.82 0.36 132.00 132.26 1rj2 h PRO 733 Ca 0.11 -0.01 0.03 0.00 -0.87 0.00 0.00 66.00 65.26 1rj2 h PRO 733 Cb 0.49 -0.03 -0.06 0.00 0.13 0.00 0.00 31.00 31.52 1rj2 h PRO 733 CO -0.35 0.10 -0.51 -0.09 -0.23 0.00 0.00 178.00 176.92 1rj2 h ARG 734 N 0.16 -0.51 -0.94 0.86 2.43 -1.72 0.63 114.38 115.29 1rj2 h ARG 734 Ca 0.28 0.03 0.07 0.00 -0.81 0.00 0.00 59.98 59.55 1rj2 h ARG 734 Cb 0.42 0.12 -0.07 0.00 -0.42 0.00 0.00 29.97 30.02 1rj2 h ARG 734 CO -0.42 -0.34 0.59 1.03 -1.51 0.00 0.00 179.97 179.32 1rj2 h SER 735 N -0.53 0.94 -0.76 -3.80 0.87 -0.30 -0.35 113.55 109.62 1rj2 h SER 735 Ca 0.03 0.02 -0.04 0.00 -1.23 0.00 0.00 61.79 60.57 1rj2 h SER 735 Cb 0.63 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 62.38 1rj2 h SER 735 CO -0.42 0.59 0.30 -0.33 -0.53 0.00 0.00 176.83 176.43 1rj2 h GLU 736 N 1.07 1.14 -0.31 2.24 5.08 0.99 0.15 114.58 124.94 1rj2 h GLU 736 Ca 0.41 -0.21 0.07 0.00 -1.00 0.00 0.00 59.36 58.63 1rj2 h GLU 736 Cb 0.20 -0.18 -0.07 0.00 0.50 0.00 0.00 28.75 29.20 1rj2 h GLU 736 CO -0.18 0.93 -0.13 0.77 -1.00 0.00 0.00 179.01 179.40 1rj2 h SER 737 N 1.10 -0.43 0.38 1.42 0.02 0.19 -0.50 113.55 115.73 1rj2 h SER 737 Ca 0.25 0.11 -0.02 0.00 -0.84 0.00 0.00 61.79 61.30 1rj2 h SER 737 Cb 0.22 0.25 -0.00 0.00 0.14 0.00 0.00 62.40 63.01 1rj2 h SER 737 CO -0.02 -0.16 -0.22 0.25 -1.14 0.00 0.00 176.83 175.55 1rj2 h LEU 738 N -0.07 -0.53 -0.81 5.07 5.85 -0.50 -2.28 115.31 122.05 1rj2 h LEU 738 Ca 0.16 0.03 0.15 0.00 0.84 0.00 0.00 57.88 59.05 1rj2 h LEU 738 Cb 0.31 0.15 -0.10 0.00 0.37 0.00 0.00 40.66 41.39 1rj2 h LEU 738 CO -0.36 -0.35 0.37 -0.25 -0.34 0.00 0.00 178.44 177.51 1rj2 h TRP 739 N -0.56 0.64 -0.82 1.25 2.91 -0.32 0.23 115.95 119.29 1rj2 h TRP 739 Ca -0.05 0.04 0.05 0.00 1.13 0.00 0.00 58.89 60.06 1rj2 h TRP 739 Cb 0.45 -0.16 -0.05 0.00 -0.51 0.00 0.00 29.16 28.89 1rj2 h TRP 739 CO -0.07 0.11 0.54 -0.09 -1.03 0.00 0.00 178.44 177.90 1rj2 h ARG 740 N 0.53 0.91 0.28 2.65 2.43 -0.80 0.13 114.38 120.51 1rj2 h ARG 740 Ca 0.45 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.55 1rj2 h ARG 740 Cb 0.67 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 1rj2 h ARG 740 CO -0.39 0.60 -0.13 0.37 -1.51 0.00 0.00 179.97 178.91 1rj2 h GLN 741 N 0.94 -0.36 -1.20 0.20 5.75 -0.02 -3.39 115.11 117.03 1rj2 h GLN 741 Ca 0.34 0.02 -0.54 0.00 -0.15 0.00 0.00 58.65 58.33 1rj2 h GLN 741 Cb 0.16 0.08 -0.42 0.00 1.07 0.00 0.00 27.48 28.38 1rj2 h GLN 741 CO -0.12 -0.02 -0.83 0.00 -2.65 0.00 0.00 178.83 175.22 1rj2 h SER 743 N 2.52 0.46 0.00 0.00 4.64 -1.17 -3.20 113.55 116.80 1rj2 h SER 743 Ca 0.25 -0.40 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 1rj2 h SER 743 Cb 1.13 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 1rj2 h SER 743 CO 0.75 1.23 0.00 -0.90 -0.87 0.00 0.00 176.83 177.04 1rj2 n ASP 744 N -3.67 0.00 -4.75 4.97 3.85 -1.26 -4.74 116.55 110.94 1rj2 n ASP 744 Ca -0.07 -1.19 -0.39 0.00 -0.71 0.00 0.00 54.79 52.43 1rj2 n ASP 744 Cb 0.89 0.00 0.04 0.00 -1.35 0.00 0.00 41.12 40.69 1rj2 n ASP 744 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1rj2 h PRO 746 N 1.66 0.53 -0.45 0.00 0.11 -1.90 -2.79 132.00 129.16 1rj2 h PRO 746 Ca -0.51 -0.03 0.09 0.00 0.11 0.00 0.00 66.00 65.66 1rj2 h PRO 746 Cb 1.29 -0.12 -0.08 0.00 0.11 0.00 0.00 31.00 32.20 1rj2 h PRO 746 CO 0.58 0.35 -0.06 0.35 -0.21 0.00 0.00 178.00 179.01 1rj2 h PHE 747 N 0.55 -0.14 0.42 0.65 3.57 -1.92 0.18 116.94 120.24 1rj2 h PHE 747 Ca 0.36 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.88 1rj2 h PHE 747 Cb 0.43 0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.31 1rj2 h PHE 747 CO -0.13 -0.15 -0.20 0.74 -2.23 0.00 0.00 178.31 176.34 1rj2 h PHE 748 N 0.05 -0.52 -1.04 0.41 0.05 -1.85 -0.87 116.94 113.17 1rj2 h PHE 748 Ca 0.22 -0.01 0.28 0.00 3.82 0.00 0.00 57.97 62.28 1rj2 h PHE 748 Cb 0.33 0.17 -0.07 0.00 2.00 0.00 0.00 35.95 38.39 1rj2 h PHE 748 CO -0.34 -0.27 0.71 1.96 -0.18 0.00 0.00 178.31 180.19 1rj2 h GLN 749 N -0.67 0.19 0.06 1.51 4.20 -1.11 -1.41 115.11 117.89 1rj2 h GLN 749 Ca -0.06 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.64 1rj2 h GLN 749 Cb 0.49 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.22 1rj2 h GLN 749 CO 0.09 0.13 -0.03 1.49 -0.67 0.00 0.00 178.83 179.84 1rj2 h GLU 750 N 0.20 -0.08 -1.46 1.46 4.57 -0.23 -3.20 114.58 115.83 1rj2 h GLU 750 Ca 0.54 0.01 0.45 0.00 -1.18 0.00 0.00 59.36 59.18 1rj2 h GLU 750 Cb 1.73 0.02 -0.11 0.00 -0.16 0.00 0.00 28.75 30.23 1rj2 h GLU 750 CO -0.14 -0.05 0.99 0.00 -1.18 0.00 0.00 179.01 178.62 1rj2 h GLN 752 N 0.07 -0.73 -0.51 0.00 4.15 -1.37 -2.16 115.11 114.55 1rj2 h GLN 752 Ca 0.81 0.05 0.07 0.00 0.77 0.00 0.00 58.65 60.36 1rj2 h GLN 752 Cb 2.80 0.17 -0.06 0.00 0.21 0.00 0.00 27.48 30.60 1rj2 h GLN 752 CO -0.27 -0.43 0.16 -0.22 -1.93 0.00 0.00 178.83 176.15 1rj2 h LYS 753 N -1.07 0.32 0.00 1.69 3.64 -1.05 0.43 116.57 120.52 1rj2 h LYS 753 Ca -0.08 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 1rj2 h LYS 753 Cb 0.64 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 1rj2 h LYS 753 CO 0.13 0.21 0.31 0.87 -2.27 0.00 0.00 179.45 178.70 1rj2 h LYS 754 N 0.33 0.00 0.00 1.90 1.57 -0.78 0.39 116.57 119.98 1rj2 h LYS 754 Ca 0.25 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 1rj2 h LYS 754 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.60 1rj2 h LYS 754 CO -0.27 0.00 -0.60 1.28 -0.57 0.00 0.00 179.45 179.29 1rj2 n LEU 755 N -2.67 0.49 -3.39 2.94 4.77 0.12 -5.00 117.00 114.26 1rj2 n LEU 755 Ca -0.02 -0.47 -0.17 0.00 -0.03 0.00 0.00 56.01 55.33 1rj2 n LEU 755 Cb 0.35 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.53 1rj2 n LEU 755 CO 0.11 0.12 0.08 -0.67 -1.33 0.00 0.00 177.39 175.71 1rj2 n ASP 756 N -1.31 -3.41 -4.46 -1.43 4.64 0.14 -4.95 116.55 105.77 1rj2 n ASP 756 Ca 0.02 -0.65 -0.40 0.00 -1.38 0.00 0.00 54.79 52.37 1rj2 n ASP 756 Cb 0.18 -5.11 -0.11 0.00 -1.04 0.00 0.00 41.12 35.04 1rj2 n ASP 756 CO 0.00 0.00 0.00 -1.00 -0.82 0.00 0.00 177.20 175.38 1rj2 s HIS 757 N -3.38 3.21 0.54 -0.67 3.76 -1.03 -4.94 115.29 112.79 1rj2 s HIS 757 Ca 0.14 -0.53 0.24 0.00 -0.15 0.00 0.00 55.06 54.76 1rj2 s HIS 757 Cb -0.02 -2.43 1.42 0.00 1.11 0.00 0.00 32.58 32.66 1rj2 s HIS 757 CO 0.74 -0.47 2.05 -0.22 -0.85 0.00 0.00 174.74 175.99 1rj2 h LYS 758 N 8.44 0.00 -6.34 1.40 3.64 -1.92 -3.42 116.57 118.36 1rj2 h LYS 758 Ca -0.30 0.00 -0.68 0.00 -1.27 0.00 0.00 60.65 58.40 1rj2 h LYS 758 Cb 1.14 0.00 -0.18 0.00 -0.41 0.00 0.00 32.23 32.78 1rj2 h LYS 758 CO 0.64 0.00 -0.73 -0.51 -2.27 0.00 0.00 179.45 176.59 1rj2 s LEU 759 N -8.56 3.04 0.52 5.20 1.43 -1.26 -5.12 118.68 113.93 1rj2 s LEU 759 Ca -0.05 -0.20 -0.19 0.00 -1.03 0.00 0.00 54.13 52.66 1rj2 s LEU 759 Cb 0.18 -1.75 -0.07 0.00 0.03 0.00 0.00 46.19 44.59 1rj2 s LEU 759 CO 0.67 0.28 1.07 -0.94 0.23 0.00 0.00 176.35 177.66 1rj2 s SER 760 N -1.37 6.08 0.29 2.29 1.04 -1.26 -4.94 113.70 115.82 1rj2 s SER 760 Ca 0.16 1.98 -0.02 0.00 0.48 0.00 0.00 55.95 58.55 1rj2 s SER 760 Cb -0.11 -2.56 0.62 0.00 0.10 0.00 0.00 66.02 64.07 1rj2 s SER 760 CO 0.07 -0.97 1.50 -0.11 0.98 0.00 0.00 173.24 174.71 1rj2 n LEU 761 N -1.24 -0.20 -0.32 2.42 7.94 -1.26 -1.79 117.00 122.55 1rj2 n LEU 761 Ca 0.10 1.64 0.28 0.00 -1.11 0.00 0.00 56.01 56.92 1rj2 n LEU 761 Cb 0.52 -0.56 0.53 0.00 0.53 0.00 0.00 43.42 44.44 1rj2 n LEU 761 CO 0.41 -1.63 1.00 -0.90 -1.11 0.00 0.00 177.39 175.17 1rj2 n ASP 762 N -5.48 0.26 0.13 1.96 5.75 -1.26 0.79 116.55 118.69 1rj2 n ASP 762 Ca 0.20 1.66 0.04 0.00 -0.01 0.00 0.00 54.79 56.69 1rj2 n ASP 762 Cb 0.64 -0.77 0.47 0.00 -1.03 0.00 0.00 41.12 40.44 1rj2 n ASP 762 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 1rj2 h SER 763 N 0.00 0.22 0.69 -1.12 4.64 -1.72 -1.37 113.55 114.89 1rj2 h SER 763 Ca 0.80 -0.02 -0.26 0.00 -0.47 0.00 0.00 61.79 61.83 1rj2 h SER 763 Cb 2.04 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 64.06 1rj2 h SER 763 CO -0.80 0.26 -1.28 1.88 -0.87 0.00 0.00 176.83 176.02 1rj2 h TYR 764 N 0.24 0.30 0.00 4.77 -1.99 0.21 -3.07 116.97 117.43 1rj2 h TYR 764 Ca 0.06 -0.22 0.00 0.00 2.00 0.00 0.00 58.73 60.57 1rj2 h TYR 764 Cb 0.15 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 38.87 1rj2 h TYR 764 CO 0.00 1.20 0.00 -0.07 -0.00 0.00 0.00 178.16 179.30 1rj2 h LEU 765 N 0.05 0.00 0.03 3.88 3.38 -0.26 -2.10 115.31 120.28 1rj2 h LEU 765 Ca -0.14 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.57 1rj2 h LEU 765 Cb 1.93 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.64 1rj2 h LEU 765 CO 0.16 0.00 -1.40 0.25 0.09 0.00 0.00 178.44 177.55 1rj2 h LEU 766 N 0.00 0.09 -0.88 1.67 5.85 -1.19 -3.41 115.31 117.43 1rj2 h LEU 766 Ca 0.00 -0.13 0.13 0.00 0.84 0.00 0.00 57.88 58.73 1rj2 h LEU 766 Cb 0.14 -0.03 -0.14 0.00 0.37 0.00 0.00 40.66 41.00 1rj2 h LEU 766 CO 0.00 1.11 -0.36 0.29 -0.34 0.00 0.00 178.44 179.14 1rj2 n LYS 767 N -3.26 -0.22 0.01 1.25 4.76 -0.79 -0.22 118.16 119.69 1rj2 n LYS 767 Ca -0.10 1.35 0.16 0.00 -2.87 0.00 0.00 58.31 56.85 1rj2 n LYS 767 Cb 1.01 -2.01 0.63 0.00 -1.84 0.00 0.00 35.03 32.82 1rj2 n LYS 767 CO 0.00 0.00 0.00 -1.35 -1.37 0.00 0.00 177.40 174.68 1rj2 h PRO 768 N 0.00 0.11 -0.14 1.97 0.11 -1.79 0.31 132.00 132.56 1rj2 h PRO 768 Ca 0.29 -0.01 -0.12 0.00 0.11 0.00 0.00 66.00 66.28 1rj2 h PRO 768 Cb 0.51 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.60 1rj2 h PRO 768 CO -0.87 0.07 -0.37 0.28 -0.21 0.00 0.00 178.00 176.91 1rj2 h VAL 769 N 0.12 1.36 -0.14 3.15 2.07 -0.89 -3.00 116.25 118.92 1rj2 h VAL 769 Ca 0.23 -1.64 -0.07 0.00 0.82 0.00 0.00 66.70 66.04 1rj2 h VAL 769 Cb 0.76 2.04 -0.01 0.00 -1.52 0.00 0.00 31.29 32.55 1rj2 h VAL 769 CO -0.03 0.49 -0.22 1.56 0.02 0.00 0.00 177.57 179.40 1rj2 h GLN 770 N 0.12 0.23 -0.56 1.57 4.20 -0.57 -2.78 115.11 117.32 1rj2 h GLN 770 Ca -0.01 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.61 1rj2 h GLN 770 Cb 0.98 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.71 1rj2 h GLN 770 CO 0.08 0.45 0.25 -0.09 -0.67 0.00 0.00 178.83 178.85 1rj2 h ARG 771 N 0.21 0.81 0.00 1.46 9.65 -0.40 -0.01 114.38 126.11 1rj2 h ARG 771 Ca 0.04 -0.13 0.00 0.00 -1.10 0.00 0.00 59.98 58.79 1rj2 h ARG 771 Cb 0.52 -0.14 0.00 0.00 -1.39 0.00 0.00 29.97 28.96 1rj2 h ARG 771 CO 0.04 0.68 0.08 0.97 2.80 0.00 0.00 179.97 184.54 1rj2 h ILE 772 N 0.75 0.00 0.05 1.20 6.09 -1.35 -1.05 117.51 123.20 1rj2 h ILE 772 Ca 0.19 0.00 -0.32 0.00 -1.37 0.00 0.00 64.86 63.36 1rj2 h ILE 772 Cb 0.15 0.86 -0.03 0.00 0.47 0.00 0.00 36.82 38.27 1rj2 h ILE 772 CO -0.02 0.00 -1.79 0.41 -3.07 0.00 0.00 178.15 173.68 1rj2 n THR 773 N -2.94 1.62 -0.34 2.19 -1.04 -0.19 -3.18 114.28 110.41 1rj2 n THR 773 Ca -0.03 -0.35 0.02 0.00 -2.04 0.00 0.00 64.05 61.66 1rj2 n THR 773 Cb 0.15 -1.86 0.19 0.00 -1.82 0.00 0.00 70.33 66.99 1rj2 n THR 773 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 1rj2 h LYS 774 N -0.52 1.11 -0.15 -2.82 1.79 -0.67 0.22 116.57 115.53 1rj2 h LYS 774 Ca -0.44 -0.07 0.01 0.00 -2.18 0.00 0.00 60.65 57.98 1rj2 h LYS 774 Cb 1.67 -0.25 -0.02 0.00 -1.58 0.00 0.00 32.23 32.05 1rj2 h LYS 774 CO -0.11 0.74 0.05 1.88 -1.08 0.00 0.00 179.45 180.92 1rj2 h TYR 775 N 1.14 0.10 -0.13 -1.35 0.99 -1.35 0.49 116.97 116.85 1rj2 h TYR 775 Ca 0.40 0.01 0.01 0.00 2.00 0.00 0.00 58.73 61.14 1rj2 h TYR 775 Cb 0.10 -0.02 -0.01 0.00 1.00 0.00 0.00 36.73 37.80 1rj2 h TYR 775 CO -0.00 0.05 0.06 1.96 -0.00 0.00 0.00 178.16 180.23 1rj2 h GLN 776 N 0.13 0.12 -0.66 4.88 4.20 -1.22 -0.45 115.11 122.11 1rj2 h GLN 776 Ca 0.06 -0.01 -0.07 0.00 0.06 0.00 0.00 58.65 58.69 1rj2 h GLN 776 Cb 0.03 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.76 1rj2 h GLN 776 CO -0.06 0.08 0.13 -0.07 -0.67 0.00 0.00 178.83 178.24 1rj2 h LEU 777 N 0.13 1.03 -0.31 1.46 3.38 -0.04 -1.08 115.31 119.89 1rj2 h LEU 777 Ca 0.05 -0.23 -0.15 0.00 0.09 0.00 0.00 57.88 57.64 1rj2 h LEU 777 Cb 0.02 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 1rj2 h LEU 777 CO -0.04 1.01 -0.72 -0.07 0.09 0.00 0.00 178.44 178.71 1rj2 h LEU 778 N 1.02 0.00 -0.56 1.67 3.38 0.02 -1.61 115.31 119.23 1rj2 h LEU 778 Ca 0.21 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.02 1rj2 h LEU 778 Cb 0.41 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 1rj2 h LEU 778 CO 0.01 0.72 -0.71 -0.07 0.09 0.00 0.00 178.44 178.48 1rj2 h LEU 779 N 0.00 0.08 -0.07 1.67 3.38 -0.93 -1.19 115.31 118.24 1rj2 h LEU 779 Ca -0.01 -0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.81 1rj2 h LEU 779 Cb 1.41 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.14 1rj2 h LEU 779 CO 0.09 0.76 -0.33 0.50 0.09 0.00 0.00 178.44 179.55 1rj2 h LYS 780 N 0.04 0.35 -0.36 1.13 3.64 -1.07 -1.69 116.57 118.62 1rj2 h LYS 780 Ca -0.01 -0.28 -0.05 0.00 -1.27 0.00 0.00 60.65 59.03 1rj2 h LYS 780 Cb 1.26 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 33.12 1rj2 h LYS 780 CO 0.10 0.92 -0.01 1.49 -2.27 0.00 0.00 179.45 179.68 1rj2 h GLU 781 N -0.13 0.56 -0.49 1.90 4.81 -1.28 -2.04 114.58 117.91 1rj2 h GLU 781 Ca -0.02 -0.13 -0.13 0.00 -0.13 0.00 0.00 59.36 58.95 1rj2 h GLU 781 Cb 0.98 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.27 1rj2 h GLU 781 CO 0.07 0.59 -0.19 1.98 -0.73 0.00 0.00 179.01 180.73 1rj2 h MET 782 N 0.54 0.99 -0.29 1.92 4.05 -1.15 -2.64 114.93 118.35 1rj2 h MET 782 Ca 0.11 -0.41 -0.10 0.00 -0.28 0.00 0.00 59.70 59.03 1rj2 h MET 782 Cb 0.36 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.10 1rj2 h MET 782 CO 0.01 1.08 -0.22 1.25 0.23 0.00 0.00 176.91 179.26 1rj2 h LEU 783 N 0.86 0.55 -2.00 3.39 5.85 -1.08 -1.38 115.31 121.50 1rj2 h LEU 783 Ca 0.12 -0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.63 1rj2 h LEU 783 Cb 0.77 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.65 1rj2 h LEU 783 CO 0.06 0.77 -0.10 0.50 -0.34 0.00 0.00 178.44 179.34 1rj2 h LYS 784 N 0.49 0.00 0.00 1.25 3.64 -1.02 -2.05 116.57 118.88 1rj2 h LYS 784 Ca 0.07 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1rj2 h LYS 784 Cb 0.65 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.47 1rj2 h LYS 784 CO 0.05 0.10 -1.53 0.66 -2.27 0.00 0.00 179.45 176.46 1rj2 n TYR 785 N -3.67 0.11 -1.65 1.91 0.53 -0.89 -4.12 117.16 109.38 1rj2 n TYR 785 Ca -0.02 0.03 -0.24 0.00 -1.02 0.00 0.00 57.90 56.65 1rj2 n TYR 785 Cb 0.21 -0.40 0.08 0.00 -1.03 0.00 0.00 39.34 38.21 1rj2 n TYR 785 CO 0.00 0.00 0.00 0.43 -1.02 0.00 0.00 176.86 176.27 1rj2 n SER 786 N -2.05 5.43 0.17 7.72 7.64 -0.57 -4.77 113.62 127.19 1rj2 n SER 786 Ca -0.01 -3.77 0.10 0.00 1.01 0.00 0.00 58.87 56.21 1rj2 n SER 786 Cb 0.49 -0.64 0.55 0.00 -1.01 0.00 0.00 64.21 63.60 1rj2 n SER 786 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1rj2 h LYS 787 N 1.86 0.00 0.00 1.43 1.79 -1.54 -3.04 116.57 117.07 1rj2 h LYS 787 Ca 0.44 0.00 -0.16 0.00 -2.18 0.00 0.00 60.65 58.75 1rj2 h LYS 787 Cb 1.35 0.00 -0.33 0.00 -1.58 0.00 0.00 32.23 31.67 1rj2 h LYS 787 CO 1.00 0.00 -0.92 0.72 -1.08 0.00 0.00 179.45 179.17 1rj2 n HIS 788 N -2.23 0.00 -4.35 -1.35 8.25 -1.26 -5.03 115.22 109.24 1rj2 n HIS 788 Ca -0.01 -0.45 -0.24 0.00 -0.26 0.00 0.00 57.72 56.76 1rj2 n HIS 788 Cb 0.11 -0.09 -0.12 0.00 1.12 0.00 0.00 29.99 31.01 1rj2 n HIS 788 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1rj2 n GLU 790 N 0.51 1.07 0.00 0.00 1.02 -1.26 -0.67 120.64 121.32 1rj2 n GLU 790 Ca -0.15 0.39 0.00 0.00 -0.02 0.00 0.00 57.16 57.38 1rj2 n GLU 790 Cb 0.56 -2.05 0.00 0.00 -0.02 0.00 0.00 31.44 29.93 1rj2 n GLU 790 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1rj2 n GLY 791 N 3.53 1.70 0.44 0.62 0.00 -1.26 -4.55 105.19 105.66 1rj2 n GLY 791 Ca 0.24 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.10 1rj2 n GLY 791 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rj2 h ALA 792 N 0.00 -0.86 -0.37 4.61 0.00 -1.12 -0.67 119.26 120.85 1rj2 h ALA 792 Ca 0.00 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 54.87 1rj2 h ALA 792 Cb 0.00 0.71 -0.09 0.00 0.00 0.00 0.00 17.79 18.41 1rj2 h ALA 792 CO 0.00 -1.04 -0.40 0.93 0.00 0.00 0.00 179.25 178.74 1rj2 h GLU 793 N -0.75 -0.32 -0.57 0.00 5.08 -1.93 -1.27 114.58 114.83 1rj2 h GLU 793 Ca -0.00 0.02 0.12 0.00 -1.00 0.00 0.00 59.36 58.49 1rj2 h GLU 793 Cb 0.73 0.07 -0.10 0.00 0.50 0.00 0.00 28.75 29.95 1rj2 h GLU 793 CO -0.19 -0.21 -0.00 -0.44 -1.00 0.00 0.00 179.01 177.16 1rj2 h ASP 794 N -0.33 -0.26 -0.52 1.42 3.32 -1.87 0.29 116.42 118.48 1rj2 h ASP 794 Ca 0.14 0.14 0.10 0.00 0.02 0.00 0.00 57.03 57.43 1rj2 h ASP 794 Cb 0.58 0.25 -0.10 0.00 0.22 0.00 0.00 39.33 40.28 1rj2 h ASP 794 CO -0.55 -0.10 -0.09 -0.07 -1.72 0.00 0.00 179.24 176.71 1rj2 h LEU 795 N 0.11 -0.41 0.09 1.55 3.38 0.05 0.65 115.31 120.73 1rj2 h LEU 795 Ca 0.29 0.15 -0.00 0.00 0.09 0.00 0.00 57.88 58.41 1rj2 h LEU 795 Cb 0.46 0.30 0.00 0.00 0.09 0.00 0.00 40.66 41.51 1rj2 h LEU 795 CO -0.49 -0.15 -0.05 -0.61 0.09 0.00 0.00 178.44 177.24 1rj2 h GLN 796 N 0.03 -0.12 -0.25 1.13 5.75 -0.50 0.56 115.11 121.72 1rj2 h GLN 796 Ca 0.26 0.01 0.06 0.00 -0.15 0.00 0.00 58.65 58.82 1rj2 h GLN 796 Cb 0.39 0.03 -0.08 0.00 1.07 0.00 0.00 27.48 28.90 1rj2 h GLN 796 CO -0.51 -0.03 -0.39 0.93 -2.65 0.00 0.00 178.83 176.18 1rj2 h GLU 797 N -0.18 -0.38 -0.52 1.69 4.39 0.85 0.72 114.58 121.14 1rj2 h GLU 797 Ca -0.01 0.03 0.07 0.00 0.34 0.00 0.00 59.36 59.78 1rj2 h GLU 797 Cb 0.15 0.09 -0.06 0.00 -0.10 0.00 0.00 28.75 28.82 1rj2 h GLU 797 CO 0.02 -0.25 0.19 0.00 -1.16 0.00 0.00 179.01 177.81 1rj2 h ALA 798 N 0.36 0.65 -0.85 3.43 0.00 0.41 -0.50 119.26 122.76 1rj2 h ALA 798 Ca 0.11 0.07 0.08 0.00 0.00 0.00 0.00 54.91 55.17 1rj2 h ALA 798 Cb 0.59 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.35 1rj2 h ALA 798 CO -0.46 -0.21 0.51 1.25 0.00 0.00 0.00 179.25 180.35 1rj2 h LEU 799 N 0.37 0.78 -0.17 0.00 5.85 0.72 -1.08 115.31 121.78 1rj2 h LEU 799 Ca 0.25 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.98 1rj2 h LEU 799 Cb 0.27 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 1rj2 h LEU 799 CO -0.25 0.48 0.02 0.77 -0.34 0.00 0.00 178.44 179.11 1rj2 h SER 800 N 0.90 0.27 -0.41 1.25 4.64 0.36 -2.18 113.55 118.38 1rj2 h SER 800 Ca 0.39 -0.27 0.08 0.00 -0.47 0.00 0.00 61.79 61.51 1rj2 h SER 800 Cb 0.25 -0.07 -0.07 0.00 -0.31 0.00 0.00 62.40 62.21 1rj2 h SER 800 CO -0.20 0.47 -0.01 0.28 -0.87 0.00 0.00 176.83 176.49 1rj2 h SER 801 N 0.06 -0.20 -0.11 4.97 0.02 -0.53 0.71 113.55 118.47 1rj2 h SER 801 Ca 0.05 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 1rj2 h SER 801 Cb 0.32 0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.03 1rj2 h SER 801 CO 0.00 -0.06 0.05 0.40 -1.14 0.00 0.00 176.83 176.09 1rj2 h ILE 802 N 0.09 1.00 -0.73 3.27 2.04 -1.18 0.09 117.51 122.09 1rj2 h ILE 802 Ca 0.20 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 66.02 1rj2 h ILE 802 Cb 0.29 0.88 -0.04 0.00 -0.74 0.00 0.00 36.82 37.21 1rj2 h ILE 802 CO -0.35 0.02 0.48 0.25 0.00 0.00 0.00 178.15 178.55 1rj2 h LEU 803 N 0.12 0.85 -1.75 1.44 7.12 -0.69 -0.17 115.31 122.23 1rj2 h LEU 803 Ca 0.04 -0.03 0.14 0.00 0.13 0.00 0.00 57.88 58.17 1rj2 h LEU 803 Cb 0.00 -0.21 -0.04 0.00 -0.53 0.00 0.00 40.66 39.88 1rj2 h LEU 803 CO -0.03 0.62 0.44 1.23 -0.13 0.00 0.00 178.44 180.58 1rj2 h GLY 804 N 1.00 0.42 0.85 3.75 0.00 0.23 -1.59 103.07 107.73 1rj2 h GLY 804 Ca 0.27 -0.11 -0.01 0.00 0.00 0.00 0.00 47.33 47.48 1rj2 h GLY 804 CO -0.06 0.04 -0.27 -2.22 0.00 0.00 0.00 176.54 174.04 1rj2 h ILE 805 N 0.25 0.44 -0.32 2.60 1.08 0.25 0.11 117.51 121.93 1rj2 h ILE 805 Ca 0.31 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.79 1rj2 h ILE 805 Cb 0.87 0.44 -0.02 0.00 -3.07 0.00 0.00 36.82 35.05 1rj2 h ILE 805 CO -0.07 0.00 0.21 -0.07 -0.69 0.00 0.00 178.15 177.53 1rj2 h LEU 806 N -0.66 0.36 0.69 1.44 4.07 -1.34 -0.58 115.31 119.30 1rj2 h LEU 806 Ca -0.04 -0.01 -0.03 0.00 0.08 0.00 0.00 57.88 57.87 1rj2 h LEU 806 Cb 0.55 -0.09 0.01 0.00 1.08 0.00 0.00 40.66 42.20 1rj2 h LEU 806 CO 0.03 0.26 -0.33 0.50 -1.08 0.00 0.00 178.44 177.83 1rj2 h LYS 807 N 0.43 -0.89 -0.85 1.13 3.64 -0.83 0.73 116.57 119.94 1rj2 h LYS 807 Ca 0.12 0.06 0.22 0.00 -1.27 0.00 0.00 60.65 59.77 1rj2 h LYS 807 Cb -0.05 0.20 -0.14 0.00 -0.41 0.00 0.00 32.23 31.83 1rj2 h LYS 807 CO -0.03 -0.59 0.11 0.00 -2.27 0.00 0.00 179.45 176.68 1rj2 h ALA 808 N -1.44 1.07 0.62 5.00 0.00 -0.36 0.94 119.26 125.09 1rj2 h ALA 808 Ca -0.09 0.25 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1rj2 h ALA 808 Cb 0.71 0.40 0.01 0.00 0.00 0.00 0.00 17.79 18.90 1rj2 h ALA 808 CO 0.15 -0.47 -0.30 0.28 0.00 0.00 0.00 179.25 178.92 1rj2 h VAL 809 N 0.14 0.17 -0.54 0.00 2.07 -0.99 -2.29 116.25 114.81 1rj2 h VAL 809 Ca 0.51 -0.35 0.13 0.00 0.82 0.00 0.00 66.70 67.81 1rj2 h VAL 809 Cb 0.98 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 1rj2 h VAL 809 CO -0.70 0.02 0.38 -1.13 0.02 0.00 0.00 177.57 176.16 1rj2 h ASN 810 N -1.13 0.13 0.57 0.57 -1.24 0.24 -2.22 115.58 112.49 1rj2 h ASN 810 Ca -0.09 0.00 -0.03 0.00 0.71 0.00 0.00 56.30 56.90 1rj2 h ASN 810 Cb 0.68 -0.02 0.01 0.00 0.73 0.00 0.00 38.32 39.72 1rj2 h ASN 810 CO 0.14 0.07 -0.27 0.44 -1.29 0.00 0.00 177.43 176.52 1rj2 h ASP 811 N 0.14 -0.64 -0.68 1.15 3.32 0.93 -3.24 116.42 117.39 1rj2 h ASP 811 Ca 0.26 -0.04 0.10 0.00 0.02 0.00 0.00 57.03 57.36 1rj2 h ASP 811 Cb 0.83 0.17 -0.12 0.00 0.22 0.00 0.00 39.33 40.43 1rj2 h ASP 811 CO -0.03 -0.30 -0.43 0.28 -1.72 0.00 0.00 179.24 177.03 1rj2 h SER 812 N -1.02 -1.52 -1.54 6.45 0.02 -0.84 0.30 113.55 115.40 1rj2 h SER 812 Ca -0.08 0.26 0.49 0.00 -0.84 0.00 0.00 61.79 61.62 1rj2 h SER 812 Cb 0.65 0.71 -0.10 0.00 0.14 0.00 0.00 62.40 63.79 1rj2 h SER 812 CO 0.13 -0.32 1.05 0.23 -1.14 0.00 0.00 176.83 176.78 1rj2 n MET 813 N -5.40 -0.02 -0.08 3.45 2.81 -0.91 -0.48 117.12 116.49 1rj2 n MET 813 Ca 0.03 1.09 -0.15 0.00 -1.81 0.00 0.00 57.70 56.87 1rj2 n MET 813 Cb 0.35 -2.31 -0.11 0.00 -0.71 0.00 0.00 33.22 30.44 1rj2 n MET 813 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1rj2 h HIS 814 N 0.00 0.00 -0.88 2.03 -0.00 -0.47 -3.34 115.15 112.50 1rj2 h HIS 814 Ca 0.85 0.00 0.23 0.00 -0.00 0.00 0.00 60.37 61.45 1rj2 h HIS 814 Cb 3.04 0.00 -0.14 0.00 -0.00 0.00 0.00 27.41 30.31 1rj2 h HIS 814 CO -0.00 1.02 0.26 1.25 -0.00 0.00 0.00 177.93 180.46 1rj2 h LEU 815 N -1.00 0.05 -1.87 2.43 5.85 -0.23 0.39 115.31 120.93 1rj2 h LEU 815 Ca -0.10 0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 1rj2 h LEU 815 Cb 0.99 0.24 -0.00 0.00 0.37 0.00 0.00 40.66 42.26 1rj2 h LEU 815 CO -0.06 -0.13 -0.11 0.16 -0.34 0.00 0.00 178.44 177.95 1rj2 h ILE 816 N 0.23 0.91 0.00 4.05 -0.00 -1.53 -1.05 117.51 120.12 1rj2 h ILE 816 Ca 0.55 -0.42 0.00 0.00 -0.00 0.00 0.00 64.86 64.99 1rj2 h ILE 816 Cb 1.11 1.24 0.00 0.00 -0.00 0.00 0.00 36.82 39.16 1rj2 h ILE 816 CO -0.63 0.11 0.00 0.00 -0.00 0.00 0.00 178.15 177.63 1rj2 n ALA 817 N -2.44 2.28 -2.35 0.16 0.00 0.14 -4.74 120.51 113.56 1rj2 n ALA 817 Ca -0.02 -0.10 -0.41 0.00 0.00 0.00 0.00 53.44 52.90 1rj2 n ALA 817 Cb 0.20 -1.26 -0.04 0.00 0.00 0.00 0.00 19.45 18.34 1rj2 n ALA 817 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1rj2 s ILE 818 N -2.00 4.57 0.19 0.00 1.01 -0.40 -1.42 121.20 123.15 1rj2 s ILE 818 Ca 0.24 2.06 0.07 0.00 0.00 0.00 0.00 60.65 63.02 1rj2 s ILE 818 Cb 0.11 -4.32 -0.05 0.00 0.01 0.00 0.00 42.46 38.22 1rj2 s ILE 818 CO 0.19 0.29 -0.14 0.42 0.00 0.00 0.00 174.94 175.70 1rj2 s THR 819 N 0.17 1.62 -0.22 2.92 -4.23 -0.08 -4.84 115.64 110.98 1rj2 s THR 819 Ca 0.47 -2.12 0.00 0.00 -1.18 0.00 0.00 61.69 58.86 1rj2 s THR 819 Cb -0.23 -1.95 0.00 0.00 1.34 0.00 0.00 72.50 71.66 1rj2 s THR 819 CO 0.29 -0.58 0.00 0.61 -0.54 0.00 0.00 174.62 174.40 1rj2 n GLY 820 N -0.22 0.44 3.38 3.99 0.00 -1.26 0.82 105.19 112.35 1rj2 n GLY 820 Ca -0.09 -0.91 -0.44 0.00 0.00 0.00 0.00 46.02 44.58 1rj2 n GLY 820 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1rj2 s TYR 821 N -2.10 3.25 -0.76 1.61 5.04 -1.26 -4.69 117.35 118.45 1rj2 s TYR 821 Ca 0.00 -0.95 -0.25 0.00 -2.44 0.00 0.00 57.07 53.43 1rj2 s TYR 821 Cb 0.00 -3.09 -0.05 0.00 0.35 0.00 0.00 41.96 39.17 1rj2 s TYR 821 CO 0.00 -0.78 2.01 -0.51 -1.34 0.00 0.00 175.55 174.93 1rj2 s ASP 822 N 2.46 4.98 0.00 4.32 1.01 -1.26 -4.72 116.67 123.45 1rj2 s ASP 822 Ca 0.04 -0.13 0.00 0.00 0.71 0.00 0.00 52.55 53.17 1rj2 s ASP 822 Cb -0.24 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.15 1rj2 s ASP 822 CO 0.07 -2.78 0.00 0.61 0.21 0.00 0.00 175.17 173.28 1rj2 n GLY 823 N 6.41 1.74 3.31 0.21 0.00 -1.26 -4.99 105.19 110.61 1rj2 n GLY 823 Ca 0.34 -1.99 -0.46 0.00 0.00 0.00 0.00 46.02 43.91 1rj2 n GLY 823 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1rj2 s ASN 824 N 0.00 6.39 0.65 1.61 2.47 -1.26 -4.89 114.94 119.90 1rj2 s ASN 824 Ca 0.00 -2.16 0.17 0.00 0.42 0.00 0.00 52.86 51.29 1rj2 s ASN 824 Cb 0.00 -2.20 0.83 0.00 -1.45 0.00 0.00 41.25 38.43 1rj2 s ASN 824 CO 0.00 -0.74 1.44 0.17 -3.72 0.00 0.00 177.10 174.25 1rj2 h LEU 825 N 8.42 0.00 -2.41 3.21 -0.00 -1.94 0.88 115.31 123.48 1rj2 h LEU 825 Ca -0.13 0.00 0.02 0.00 -0.00 0.00 0.00 57.88 57.76 1rj2 h LEU 825 Cb 1.07 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.73 1rj2 h LEU 825 CO 0.92 0.00 0.19 1.23 -0.00 0.00 0.00 178.44 180.77 1rj2 h GLY 826 N 0.00 0.00 2.00 0.17 0.00 -1.96 0.66 103.07 103.94 1rj2 h GLY 826 Ca 0.10 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.40 1rj2 h GLY 826 CO -0.00 0.00 -0.16 -0.55 0.00 0.00 0.00 176.54 175.83 1rj2 h ASP 827 N 0.00 0.00 -3.60 0.19 5.19 0.39 -3.43 116.42 115.17 1rj2 h ASP 827 Ca 0.03 0.00 -0.51 0.00 -0.62 0.00 0.00 57.03 55.92 1rj2 h ASP 827 Cb 0.40 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.89 1rj2 h ASP 827 CO -0.00 0.16 0.38 -0.76 -3.12 0.00 0.00 179.24 175.90 1rj2 s LEU 828 N -7.17 4.52 0.00 1.55 1.43 0.22 -4.94 118.68 114.29 1rj2 s LEU 828 Ca -0.02 1.88 0.00 0.00 -1.03 0.00 0.00 54.13 54.96 1rj2 s LEU 828 Cb 0.12 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.75 1rj2 s LEU 828 CO 0.60 -0.06 0.00 0.61 0.23 0.00 0.00 176.35 177.73 1rj2 n GLY 829 N 2.08 0.00 3.50 -3.19 0.00 -1.26 -4.77 105.19 101.56 1rj2 n GLY 829 Ca 0.02 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.89 1rj2 n GLY 829 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rj2 s LYS 830 N 0.00 1.01 -0.60 1.61 -2.85 -1.26 -4.81 119.74 112.83 1rj2 s LYS 830 Ca 0.00 0.00 -0.27 0.00 -1.00 0.00 0.00 55.97 54.70 1rj2 s LYS 830 Cb 0.00 0.47 -0.01 0.00 -2.06 0.00 0.00 37.83 36.23 1rj2 s LYS 830 CO 0.00 -0.36 1.78 -1.17 0.10 0.00 0.00 175.35 175.70 1rj2 s LEU 831 N -1.70 3.30 -0.05 2.77 0.20 -1.26 -2.83 118.68 119.10 1rj2 s LEU 831 Ca -0.05 0.32 -0.17 0.00 0.69 0.00 0.00 54.13 54.92 1rj2 s LEU 831 Cb -0.00 -2.62 -0.31 0.00 -0.43 0.00 0.00 46.19 42.83 1rj2 s LEU 831 CO 0.01 -2.26 0.77 -0.07 -0.29 0.00 0.00 176.35 174.51 1rj2 h LEU 832 N 15.80 0.54 -7.45 -0.68 4.07 -1.19 -3.49 115.31 122.91 1rj2 h LEU 832 Ca -0.27 -0.91 -0.05 0.00 0.08 0.00 0.00 57.88 56.73 1rj2 h LEU 832 Cb 1.15 -0.18 -0.13 0.00 1.08 0.00 0.00 40.66 42.59 1rj2 h LEU 832 CO 1.21 1.59 -0.09 -0.04 -1.08 0.00 0.00 178.44 180.04 1rj2 s MET 833 N -2.50 1.08 -0.07 1.13 -1.94 -1.12 -5.03 119.30 110.85 1rj2 s MET 833 Ca -0.15 -0.74 -0.29 0.00 -1.71 0.00 0.00 55.69 52.80 1rj2 s MET 833 Cb 0.03 0.46 0.07 0.00 2.01 0.00 0.00 34.83 37.40 1rj2 s MET 833 CO 0.84 -0.42 0.66 1.14 -0.01 0.00 0.00 175.02 177.22 1rj2 s GLN 834 N -3.82 1.00 0.00 2.03 1.03 -1.26 -0.54 119.66 118.11 1rj2 s GLN 834 Ca 0.04 0.32 0.00 0.00 0.04 0.00 0.00 55.36 55.75 1rj2 s GLN 834 Cb 0.02 0.47 0.00 0.00 0.03 0.00 0.00 33.01 33.53 1rj2 s GLN 834 CO -0.11 -0.29 0.00 0.41 -2.54 0.00 0.00 175.29 172.76 1rj2 n GLY 835 N 1.16 0.21 3.86 2.60 0.00 -0.86 -5.00 105.19 107.16 1rj2 n GLY 835 Ca -0.19 -0.90 -0.35 0.00 0.00 0.00 0.00 46.02 44.58 1rj2 n GLY 835 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1rj2 s SER 836 N 0.00 6.66 0.16 1.61 0.15 -1.26 -1.11 113.70 119.91 1rj2 s SER 836 Ca 0.00 0.82 -0.10 0.00 0.70 0.00 0.00 55.95 57.36 1rj2 s SER 836 Cb 0.00 -2.19 -0.00 0.00 -1.71 0.00 0.00 66.02 62.12 1rj2 s SER 836 CO 0.00 0.17 0.31 -0.36 1.20 0.00 0.00 173.24 174.57 1rj2 s PHE 837 N -1.39 0.31 -0.12 3.44 0.40 -0.54 -4.74 117.98 115.33 1rj2 s PHE 837 Ca 0.33 -0.67 -0.11 0.00 -0.60 0.00 0.00 56.93 55.89 1rj2 s PHE 837 Cb -0.14 0.01 -0.05 0.00 0.51 0.00 0.00 43.02 43.35 1rj2 s PHE 837 CO 0.18 -0.74 0.22 -1.12 0.70 0.00 0.00 175.22 174.46 1rj2 s SER 838 N -2.95 6.44 -0.06 1.36 0.01 -1.21 -2.00 113.70 115.29 1rj2 s SER 838 Ca 0.15 0.52 0.03 0.00 1.31 0.00 0.00 55.95 57.96 1rj2 s SER 838 Cb 0.03 -2.13 0.00 0.00 0.21 0.00 0.00 66.02 64.13 1rj2 s SER 838 CO -0.01 0.28 -0.16 -0.69 0.41 0.00 0.00 173.24 173.07 1rj2 s VAL 839 N -0.42 1.37 0.25 3.43 1.01 0.25 -1.86 120.40 124.43 1rj2 s VAL 839 Ca 0.15 -0.65 0.11 0.00 0.00 0.00 0.00 61.98 61.60 1rj2 s VAL 839 Cb -0.13 -1.20 -0.05 0.00 0.00 0.00 0.00 36.38 35.00 1rj2 s VAL 839 CO 0.04 0.40 -0.18 0.26 0.00 0.00 0.00 175.10 175.62 1rj2 s TRP 840 N 0.30 2.36 -0.29 5.22 0.51 -0.32 -0.55 118.94 126.18 1rj2 s TRP 840 Ca -0.09 -0.32 -0.01 0.00 -2.12 0.00 0.00 56.10 53.56 1rj2 s TRP 840 Cb -0.14 -1.07 0.09 0.00 -0.81 0.00 0.00 33.47 31.54 1rj2 s TRP 840 CO 0.03 0.64 0.08 0.95 -0.51 0.00 0.00 176.95 178.14 1rj2 s THR 841 N -2.22 0.85 -1.18 2.01 -4.23 -0.88 -0.28 115.64 109.71 1rj2 s THR 841 Ca 0.27 -1.25 -0.06 0.00 -1.18 0.00 0.00 61.69 59.48 1rj2 s THR 841 Cb -0.06 -1.57 0.23 0.00 1.34 0.00 0.00 72.50 72.44 1rj2 s THR 841 CO 0.14 -0.57 1.81 -0.67 -0.54 0.00 0.00 174.62 174.80 1rj2 n ASP 842 N 4.87 6.33 -4.34 3.99 2.03 -1.13 -4.50 116.55 123.81 1rj2 n ASP 842 Ca -0.04 -3.30 -0.29 0.00 0.52 0.00 0.00 54.79 51.68 1rj2 n ASP 842 Cb 0.43 -1.34 0.19 0.00 -0.72 0.00 0.00 41.12 39.67 1rj2 n ASP 842 CO 0.00 0.00 0.00 -1.00 -1.92 0.00 0.00 177.20 174.28 1rj2 s HIS 843 N -1.63 1.62 -0.16 -0.67 3.76 -1.26 -3.77 115.29 113.18 1rj2 s HIS 843 Ca 0.39 0.67 -0.12 0.00 -0.15 0.00 0.00 55.06 55.85 1rj2 s HIS 843 Cb 0.11 -3.51 -0.05 0.00 1.11 0.00 0.00 32.58 30.24 1rj2 s HIS 843 CO 0.01 -3.02 0.22 0.21 -0.85 0.00 0.00 174.74 171.32 1rj2 s LYS 844 N -5.36 4.12 -0.37 1.40 2.47 0.31 -4.86 119.74 117.44 1rj2 s LYS 844 Ca 0.68 -0.03 -0.29 0.00 -1.56 0.00 0.00 55.97 54.77 1rj2 s LYS 844 Cb -0.12 -3.39 0.00 0.00 -1.46 0.00 0.00 37.83 32.87 1rj2 s LYS 844 CO 0.55 0.35 1.41 -1.59 0.16 0.00 0.00 175.35 176.23 1rj2 s LYS 845 N 0.17 3.66 -1.84 4.03 0.00 -1.26 -4.88 119.74 119.63 1rj2 s LYS 845 Ca 0.14 1.08 0.00 0.00 0.00 0.00 0.00 55.97 57.19 1rj2 s LYS 845 Cb -0.12 -4.00 0.00 0.00 0.00 0.00 0.00 37.83 33.71 1rj2 s LYS 845 CO 0.02 -1.45 0.00 -0.85 0.00 0.00 0.00 175.35 173.07 1rj2 n GLU 852 N 7.87 -1.62 -4.45 1.78 0.28 -1.26 -5.21 120.64 118.04 1rj2 n GLU 852 Ca 0.16 1.04 -0.22 0.00 -0.16 0.00 0.00 57.16 57.99 1rj2 n GLU 852 Cb 0.47 -5.65 -0.11 0.00 1.43 0.00 0.00 31.44 27.59 1rj2 n GLU 852 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1rj2 s LEU 853 N -5.77 2.40 -0.34 -1.84 1.43 -1.26 -4.98 118.68 108.32 1rj2 s LEU 853 Ca 0.00 -1.28 -0.06 0.00 -1.03 0.00 0.00 54.13 51.76 1rj2 s LEU 853 Cb 0.00 -0.55 0.22 0.00 0.03 0.00 0.00 46.19 45.89 1rj2 s LEU 853 CO 0.00 -0.46 1.13 0.00 0.23 0.00 0.00 176.35 177.24 1rj2 n ALA 854 N -0.66 -3.76 0.04 4.21 0.00 -1.26 -4.88 120.51 114.20 1rj2 n ALA 854 Ca -0.04 0.02 -0.13 0.00 0.00 0.00 0.00 53.44 53.28 1rj2 n ALA 854 Cb 0.65 -3.30 -0.14 0.00 0.00 0.00 0.00 19.45 16.66 1rj2 n ALA 854 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1rj2 h ARG 855 N 4.02 0.15 0.00 0.00 9.65 -1.94 -2.34 114.38 123.91 1rj2 h ARG 855 Ca -0.04 -0.26 0.00 0.00 -1.10 0.00 0.00 59.98 58.58 1rj2 h ARG 855 Cb 1.17 0.10 0.00 0.00 -1.39 0.00 0.00 29.97 29.85 1rj2 h ARG 855 CO -0.12 0.97 0.00 1.19 2.80 0.00 0.00 179.97 184.81 1rj2 n PHE 856 N -3.35 0.00 -2.69 2.20 3.01 -1.26 -4.97 117.46 110.39 1rj2 n PHE 856 Ca -0.14 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 57.90 1rj2 n PHE 856 Cb 1.02 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.47 1rj2 n PHE 856 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 1rj2 s LYS 857 N -0.91 4.02 0.61 -1.08 2.20 -1.26 -5.02 119.74 118.31 1rj2 s LYS 857 Ca 0.00 0.95 -0.17 0.00 -0.36 0.00 0.00 55.97 56.39 1rj2 s LYS 857 Cb 0.00 -3.75 -0.03 0.00 -1.51 0.00 0.00 37.83 32.55 1rj2 s LYS 857 CO 0.00 -0.89 1.14 -1.25 -0.36 0.00 0.00 175.35 173.99 1rj2 s PRO 858 N 3.56 3.01 0.10 4.03 0.04 -1.26 -4.77 135.00 139.70 1rj2 s PRO 858 Ca 0.43 1.56 -0.13 0.00 0.04 0.00 0.00 61.00 62.89 1rj2 s PRO 858 Cb -0.12 -1.96 -0.06 0.00 0.04 0.00 0.00 34.50 32.39 1rj2 s PRO 858 CO 0.16 -1.12 0.49 -1.64 0.04 0.00 0.00 177.00 174.93 1rj2 s MET 859 N -3.65 3.93 -0.35 4.56 -1.94 0.29 -4.75 119.30 117.39 1rj2 s MET 859 Ca 0.71 0.41 -0.13 0.00 -1.71 0.00 0.00 55.69 54.97 1rj2 s MET 859 Cb -0.24 -3.01 -0.01 0.00 2.01 0.00 0.00 34.83 33.58 1rj2 s MET 859 CO 0.35 0.54 0.27 -0.65 -0.01 0.00 0.00 175.02 175.52 1rj2 s GLN 860 N -1.76 3.47 0.12 2.03 -1.52 -1.26 0.84 119.66 121.59 1rj2 s GLN 860 Ca 0.34 -0.63 0.07 0.00 -1.95 0.00 0.00 55.36 53.18 1rj2 s GLN 860 Cb -0.15 -3.82 -0.04 0.00 -0.22 0.00 0.00 33.01 28.78 1rj2 s GLN 860 CO 0.18 -0.48 -0.16 1.03 -0.25 0.00 0.00 175.29 175.61 1rj2 s ARG 861 N 1.77 1.07 -0.31 2.91 1.81 -0.85 -4.64 118.95 120.71 1rj2 s ARG 861 Ca 0.07 -1.24 -0.07 0.00 -1.72 0.00 0.00 55.73 52.77 1rj2 s ARG 861 Cb -0.17 -1.03 0.02 0.00 -0.45 0.00 0.00 34.95 33.31 1rj2 s ARG 861 CO 0.11 0.21 0.10 -1.58 -0.68 0.00 0.00 175.30 173.45 1rj2 s HIS 862 N -1.95 3.18 0.22 -0.53 2.46 0.14 -1.47 115.29 117.34 1rj2 s HIS 862 Ca 0.09 -1.11 -0.12 0.00 0.47 0.00 0.00 55.06 54.39 1rj2 s HIS 862 Cb -0.06 -2.27 -0.07 0.00 -0.13 0.00 0.00 32.58 30.04 1rj2 s HIS 862 CO 0.04 -0.63 0.59 -0.51 -2.47 0.00 0.00 174.74 171.76 1rj2 s LEU 863 N 1.47 4.21 -0.23 8.88 1.43 -0.27 -1.58 118.68 132.59 1rj2 s LEU 863 Ca 0.01 1.05 -0.01 0.00 -1.03 0.00 0.00 54.13 54.15 1rj2 s LEU 863 Cb -0.18 -3.62 0.07 0.00 0.03 0.00 0.00 46.19 42.49 1rj2 s LEU 863 CO 0.03 -0.04 -0.00 -0.36 0.23 0.00 0.00 176.35 176.21 1rj2 s PHE 864 N -1.72 1.90 -0.44 0.29 0.08 -0.67 -2.03 117.98 115.38 1rj2 s PHE 864 Ca 0.45 -1.49 -0.18 0.00 0.12 0.00 0.00 56.93 55.83 1rj2 s PHE 864 Cb -0.12 -1.45 0.03 0.00 -0.57 0.00 0.00 43.02 40.91 1rj2 s PHE 864 CO 0.20 -0.74 0.51 -1.17 -0.10 0.00 0.00 175.22 173.93 1rj2 s LEU 865 N 1.56 4.84 0.53 -0.37 1.98 0.30 -0.88 118.68 126.64 1rj2 s LEU 865 Ca -0.02 -0.68 0.07 0.00 -2.89 0.00 0.00 54.13 50.61 1rj2 s LEU 865 Cb -0.18 -2.46 0.04 0.00 0.66 0.00 0.00 46.19 44.25 1rj2 s LEU 865 CO -0.09 -0.68 0.50 -1.00 -1.89 0.00 0.00 176.35 173.19 1rj2 s HIS 866 N 2.35 1.79 -0.08 5.38 3.76 0.01 -0.60 115.29 127.90 1rj2 s HIS 866 Ca 0.14 -0.74 0.13 0.00 -0.15 0.00 0.00 55.06 54.45 1rj2 s HIS 866 Cb -0.17 -2.04 0.03 0.00 1.11 0.00 0.00 32.58 31.51 1rj2 s HIS 866 CO 0.14 -0.57 1.42 0.93 -0.85 0.00 0.00 174.74 175.81 1rj2 h GLU 867 N 0.66 0.00 0.00 1.40 5.08 -1.83 -3.29 114.58 116.60 1rj2 h GLU 867 Ca -0.36 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 57.74 1rj2 h GLU 867 Cb 1.29 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.50 1rj2 h GLU 867 CO 0.53 0.61 -1.48 0.87 -1.00 0.00 0.00 179.01 178.54 1rj2 h LYS 868 N 0.00 0.00 0.00 2.33 1.79 -1.88 -3.44 116.57 115.37 1rj2 h LYS 868 Ca -0.01 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 1rj2 h LYS 868 Cb 1.45 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.10 1rj2 h LYS 868 CO 0.08 0.65 0.00 0.00 -1.08 0.00 0.00 179.45 179.10 1rj2 n ALA 869 N -2.49 0.00 -3.63 3.86 0.00 -1.24 0.11 120.51 117.12 1rj2 n ALA 869 Ca -0.11 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.07 1rj2 n ALA 869 Cb 1.02 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 20.30 1rj2 n ALA 869 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1rj2 s VAL 870 N -2.90 0.00 0.19 0.00 1.01 0.05 -0.81 120.40 117.93 1rj2 s VAL 870 Ca 0.00 -0.20 -0.10 0.00 0.00 0.00 0.00 61.98 61.68 1rj2 s VAL 870 Cb 0.00 -0.62 -0.07 0.00 0.00 0.00 0.00 36.38 35.69 1rj2 s VAL 870 CO 0.00 -0.25 0.51 -0.76 0.00 0.00 0.00 175.10 174.60 1rj2 s LEU 871 N 2.10 4.23 -0.13 3.92 1.02 -0.06 -0.14 118.68 129.62 1rj2 s LEU 871 Ca 0.02 0.91 0.02 0.00 0.02 0.00 0.00 54.13 55.09 1rj2 s LEU 871 Cb -0.16 -3.48 0.00 0.00 0.02 0.00 0.00 46.19 42.58 1rj2 s LEU 871 CO -0.09 0.01 -0.20 -0.36 0.02 0.00 0.00 176.35 175.73 1rj2 s PHE 872 N -1.68 2.68 0.12 0.29 0.08 0.25 -1.67 117.98 118.05 1rj2 s PHE 872 Ca 0.43 -1.15 0.05 0.00 0.12 0.00 0.00 56.93 56.38 1rj2 s PHE 872 Cb -0.12 -1.81 -0.04 0.00 -0.57 0.00 0.00 43.02 40.48 1rj2 s PHE 872 CO 0.21 -0.50 -0.12 0.00 -0.10 0.00 0.00 175.22 174.71 1rj2 s LYS 874 N -2.93 2.34 0.59 0.00 2.20 -0.87 0.24 119.74 121.32 1rj2 s LYS 874 Ca 0.09 -1.32 -0.20 0.00 -0.36 0.00 0.00 55.97 54.18 1rj2 s LYS 874 Cb -0.03 -3.11 -0.03 0.00 -1.51 0.00 0.00 37.83 33.15 1rj2 s LYS 874 CO 0.02 -0.63 1.34 0.21 -0.36 0.00 0.00 175.35 175.93 1rj2 s LYS 875 N 1.20 2.85 -0.33 4.03 2.20 -1.26 -2.50 119.74 125.93 1rj2 s LYS 875 Ca -0.06 2.17 -0.06 0.00 -0.36 0.00 0.00 55.97 57.66 1rj2 s LYS 875 Cb -0.20 -2.07 0.04 0.00 -1.51 0.00 0.00 37.83 34.09 1rj2 s LYS 875 CO -0.02 -1.39 0.10 1.03 -0.36 0.00 0.00 175.35 174.70 1rj2 s ARG 876 N -3.13 2.66 0.00 4.03 0.52 0.17 -4.88 118.95 118.32 1rj2 s ARG 876 Ca 0.77 -1.15 0.00 0.00 -0.52 0.00 0.00 55.73 54.83 1rj2 s ARG 876 Cb -0.39 -3.45 0.00 0.00 0.52 0.00 0.00 34.95 31.62 1rj2 s ARG 876 CO 0.44 -0.65 0.77 -1.91 0.02 0.00 0.00 175.30 173.98 1rj2 n GLU 877 N 4.82 0.00 -1.57 3.54 4.07 -1.26 -3.81 120.64 126.42 1rj2 n GLU 877 Ca -0.13 0.68 -0.36 0.00 -0.06 0.00 0.00 57.16 57.30 1rj2 n GLU 877 Cb 0.45 -1.27 0.08 0.00 -0.06 0.00 0.00 31.44 30.64 1rj2 n GLU 877 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 1rj2 s GLU 878 N -2.09 2.31 0.48 5.31 2.02 -1.26 -4.39 118.70 121.08 1rj2 s GLU 878 Ca 0.00 1.94 0.00 0.00 0.02 0.00 0.00 54.97 56.93 1rj2 s GLU 878 Cb 0.00 -1.83 0.00 0.00 0.10 0.00 0.00 34.13 32.40 1rj2 s GLU 878 CO 0.00 -1.75 0.00 1.63 0.02 0.00 0.00 175.26 175.16 1rj2 n LYS 885 N -2.32 0.00 -3.62 1.61 4.01 -1.26 -4.38 118.16 112.20 1rj2 n LYS 885 Ca 0.15 0.00 -0.23 0.00 -0.51 0.00 0.00 58.31 57.72 1rj2 n LYS 885 Cb 0.49 0.00 -0.17 0.00 -0.51 0.00 0.00 35.03 34.84 1rj2 n LYS 885 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1rj2 s ALA 886 N -1.24 0.27 0.00 7.82 0.00 -1.26 -5.10 121.76 122.24 1rj2 s ALA 886 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 51.96 51.90 1rj2 s ALA 886 Cb 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 23.12 22.18 1rj2 s ALA 886 CO 0.00 -0.96 0.00 -2.30 0.00 0.00 0.00 175.76 172.50 1rj2 n PRO 887 N 5.29 0.00 -4.11 0.00 -0.02 -1.26 -4.98 135.00 129.92 1rj2 n PRO 887 Ca -0.06 0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.28 1rj2 n PRO 887 Cb 0.49 0.00 -0.13 0.00 -0.02 0.00 0.00 33.50 33.85 1rj2 n PRO 887 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1rj2 s SER 888 N 0.00 0.75 -0.19 2.55 0.15 -1.25 -4.91 113.70 110.81 1rj2 s SER 888 Ca 0.00 -0.34 -0.03 0.00 0.70 0.00 0.00 55.95 56.28 1rj2 s SER 888 Cb 0.00 -0.01 -0.01 0.00 -1.71 0.00 0.00 66.02 64.28 1rj2 s SER 888 CO 0.00 -0.08 -0.06 -0.31 1.20 0.00 0.00 173.24 173.99 1rj2 s TYR 889 N -0.80 2.94 -0.29 3.44 1.51 -0.51 0.45 117.35 124.08 1rj2 s TYR 889 Ca -0.04 -0.73 -0.18 0.00 -1.01 0.00 0.00 57.07 55.10 1rj2 s TYR 889 Cb -0.06 -2.02 -0.02 0.00 -0.11 0.00 0.00 41.96 39.75 1rj2 s TYR 889 CO 0.00 -0.37 0.51 -1.54 -1.11 0.00 0.00 175.55 173.05 1rj2 s SER 890 N 1.00 6.39 0.28 2.29 1.04 -1.04 -0.90 113.70 122.76 1rj2 s SER 890 Ca 0.00 0.32 -0.27 0.00 0.48 0.00 0.00 55.95 56.48 1rj2 s SER 890 Cb -0.15 -2.28 -0.15 0.00 0.10 0.00 0.00 66.02 63.55 1rj2 s SER 890 CO 0.00 -0.36 0.68 0.00 0.98 0.00 0.00 173.24 174.54 1rj2 n TYR 891 N 5.63 0.05 0.03 5.02 9.36 0.24 -2.04 117.16 135.45 1rj2 n TYR 891 Ca -0.04 0.80 -0.01 0.00 3.32 0.00 0.00 57.90 61.97 1rj2 n TYR 891 Cb 0.49 -2.06 -0.00 0.00 -0.63 0.00 0.00 39.34 37.14 1rj2 n TYR 891 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 1rj2 n LYS 892 N 0.85 0.03 -3.49 2.98 4.76 0.15 -4.79 118.16 118.66 1rj2 n LYS 892 Ca 0.14 0.01 -0.09 0.00 -2.87 0.00 0.00 58.31 55.50 1rj2 n LYS 892 Cb 0.31 -0.56 -0.02 0.00 -1.84 0.00 0.00 35.03 32.92 1rj2 n LYS 892 CO 0.00 0.00 0.00 1.14 -1.37 0.00 0.00 177.40 177.17 1rj2 s GLN 893 N -2.05 0.98 0.38 1.97 -2.07 -0.84 -4.98 119.66 113.04 1rj2 s GLN 893 Ca -0.02 -0.37 0.08 0.00 -1.82 0.00 0.00 55.36 53.23 1rj2 s GLN 893 Cb 0.00 0.44 -0.04 0.00 -1.09 0.00 0.00 33.01 32.33 1rj2 s GLN 893 CO 0.03 -0.43 0.21 -1.12 -1.32 0.00 0.00 175.29 172.66 1rj2 s SER 894 N -2.58 4.73 -0.30 12.60 0.01 -1.26 0.84 113.70 127.75 1rj2 s SER 894 Ca 0.04 -0.83 -0.03 0.00 1.31 0.00 0.00 55.95 56.43 1rj2 s SER 894 Cb -0.01 -0.65 0.10 0.00 0.21 0.00 0.00 66.02 65.68 1rj2 s SER 894 CO -0.10 -0.44 0.13 -0.76 0.41 0.00 0.00 173.24 172.48 1rj2 s LEU 895 N -3.93 0.73 -0.28 2.44 1.43 0.79 -4.92 118.68 114.94 1rj2 s LEU 895 Ca 0.41 -1.37 -0.38 0.00 -1.03 0.00 0.00 54.13 51.76 1rj2 s LEU 895 Cb -0.01 -0.40 -0.14 0.00 0.03 0.00 0.00 46.19 45.67 1rj2 s LEU 895 CO 0.24 -0.43 1.93 -3.20 0.23 0.00 0.00 176.35 175.11 1rj2 n ASN 896 N 5.14 2.45 -0.17 2.29 4.05 -1.26 -0.77 115.26 126.99 1rj2 n ASN 896 Ca -0.05 0.84 0.00 0.00 0.45 0.00 0.00 54.58 55.82 1rj2 n ASN 896 Cb 0.42 -1.21 0.00 0.00 1.23 0.00 0.00 39.78 40.22 1rj2 n ASN 896 CO 0.00 0.00 0.00 0.80 -3.05 0.00 0.00 177.26 175.01 1rj2 n MET 897 N 6.58 0.03 0.00 1.20 0.00 0.31 -3.32 117.12 121.92 1rj2 n MET 897 Ca 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 58.01 1rj2 n MET 897 Cb 0.18 -1.01 0.00 0.00 0.00 0.00 0.00 33.22 32.40 1rj2 n MET 897 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38 1rj2 n THR 898 N -0.17 0.00 0.58 1.12 -1.04 -1.26 -4.30 114.28 109.21 1rj2 n THR 898 Ca 0.00 0.38 0.00 0.00 -2.04 0.00 0.00 64.05 62.39 1rj2 n THR 898 Cb 0.00 -1.25 0.00 0.00 -1.82 0.00 0.00 70.33 67.26 1rj2 n THR 898 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1rj2 n ALA 899 N -1.92 2.03 -2.54 2.41 0.00 -1.21 -4.81 120.51 114.48 1rj2 n ALA 899 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.06 1rj2 n ALA 899 Cb 0.00 -1.00 -0.06 0.00 0.00 0.00 0.00 19.45 18.39 1rj2 n ALA 899 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1rj2 s VAL 900 N 0.08 5.02 0.35 0.00 1.01 -1.25 -3.31 120.40 122.29 1rj2 s VAL 900 Ca 0.00 0.98 0.06 0.00 0.00 0.00 0.00 61.98 63.02 1rj2 s VAL 900 Cb 0.00 -3.80 -0.07 0.00 0.00 0.00 0.00 36.38 32.51 1rj2 s VAL 900 CO 0.00 0.47 0.00 -0.83 0.00 0.00 0.00 175.10 174.74 1rj2 s GLY 901 N -0.41 2.20 0.02 4.51 0.00 0.19 -4.96 107.32 108.87 1rj2 s GLY 901 Ca 0.26 -2.13 -0.08 0.00 0.00 0.00 0.00 44.72 42.78 1rj2 s GLY 901 CO 0.14 -1.95 0.14 -0.42 0.00 0.00 0.00 173.10 171.01 1rj2 s ILE 902 N -2.95 0.10 -0.39 0.90 -1.09 -1.26 -1.97 121.20 114.55 1rj2 s ILE 902 Ca 0.34 -0.86 0.01 0.00 -2.23 0.00 0.00 60.65 57.91 1rj2 s ILE 902 Cb 0.08 -0.70 0.12 0.00 -1.58 0.00 0.00 42.46 40.37 1rj2 s ILE 902 CO 0.16 -0.47 0.17 -0.89 -1.23 0.00 0.00 174.94 172.68 1rj2 s THR 903 N -2.07 1.38 0.45 2.92 2.01 -0.40 -4.98 115.64 114.95 1rj2 s THR 903 Ca -0.09 -2.19 0.24 0.00 0.31 0.00 0.00 61.69 59.96 1rj2 s THR 903 Cb -0.04 -2.00 0.24 0.00 0.01 0.00 0.00 72.50 70.71 1rj2 s THR 903 CO -0.02 -0.79 1.69 -0.08 -0.69 0.00 0.00 174.62 174.74 1rj2 h GLU 904 N 7.26 0.00 -2.17 4.92 4.81 -1.94 -2.63 114.58 124.83 1rj2 h GLU 904 Ca -0.06 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.19 1rj2 h GLU 904 Cb 0.96 0.00 -0.22 0.00 0.63 0.00 0.00 28.75 30.12 1rj2 h GLU 904 CO 0.49 0.00 -0.18 -0.80 -0.73 0.00 0.00 179.01 177.79 1rj2 s ASN 905 N -4.06 -0.86 -0.16 1.04 0.02 -1.26 -4.81 114.94 104.86 1rj2 s ASN 905 Ca -0.03 1.38 -0.07 0.00 -1.02 0.00 0.00 52.86 53.13 1rj2 s ASN 905 Cb 0.07 1.85 -0.04 0.00 0.02 0.00 0.00 41.25 43.15 1rj2 s ASN 905 CO 0.21 -0.22 0.08 0.68 0.02 0.00 0.00 177.10 177.87 1rj2 s VAL 906 N 2.57 4.95 -0.25 1.60 -7.23 -1.21 -5.03 120.40 115.81 1rj2 s VAL 906 Ca -0.06 0.02 -0.29 0.00 -1.81 0.00 0.00 61.98 59.84 1rj2 s VAL 906 Cb -0.11 -3.20 -0.02 0.00 0.56 0.00 0.00 36.38 33.61 1rj2 s VAL 906 CO -0.17 0.51 1.57 -0.54 -0.31 0.00 0.00 175.10 176.16 1rj2 s LYS 907 N -0.09 3.78 0.00 4.82 -0.14 -1.26 -2.98 119.74 123.87 1rj2 s LYS 907 Ca 0.08 1.56 0.00 0.00 -1.36 0.00 0.00 55.97 56.24 1rj2 s LYS 907 Cb -0.12 -4.02 0.00 0.00 -1.68 0.00 0.00 37.83 32.01 1rj2 s LYS 907 CO 0.01 -1.31 0.00 0.41 -0.76 0.00 0.00 175.35 173.69 1rj2 n GLY 908 N 4.67 1.25 3.52 -3.33 0.00 -1.26 -5.11 105.19 104.93 1rj2 n GLY 908 Ca 0.18 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.09 1rj2 n GLY 908 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1rj2 s ASP 909 N -0.33 -0.72 0.00 1.61 3.68 -1.16 -5.01 116.67 114.74 1rj2 s ASP 909 Ca 0.00 1.28 0.18 0.00 2.13 0.00 0.00 52.55 56.14 1rj2 s ASP 909 Cb 0.00 1.23 1.08 0.00 -1.45 0.00 0.00 42.92 43.78 1rj2 s ASP 909 CO 0.00 -0.22 1.66 0.35 0.13 0.00 0.00 175.17 177.09 1rj2 n THR 910 N 3.43 0.00 0.10 1.71 -2.24 -1.26 -3.47 114.28 112.55 1rj2 n THR 910 Ca -0.17 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.62 1rj2 n THR 910 Cb 0.57 -0.33 0.00 0.00 -2.10 0.00 0.00 70.33 68.47 1rj2 n THR 910 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1rj2 n LYS 911 N -0.80 2.29 -3.83 -0.78 5.02 -1.26 -4.29 118.16 114.51 1rj2 n LYS 911 Ca 0.14 -0.37 -0.36 0.00 -2.02 0.00 0.00 58.31 55.69 1rj2 n LYS 911 Cb 0.06 -0.86 -0.06 0.00 -0.02 0.00 0.00 35.03 34.16 1rj2 n LYS 911 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1rj2 s LYS 912 N -0.63 3.51 0.15 1.97 1.02 -1.23 0.14 119.74 124.68 1rj2 s LYS 912 Ca 0.02 -0.09 -0.08 0.00 0.02 0.00 0.00 55.97 55.84 1rj2 s LYS 912 Cb 0.02 -3.17 -0.01 0.00 -0.52 0.00 0.00 37.83 34.15 1rj2 s LYS 912 CO 0.06 0.75 0.25 -0.59 -0.92 0.00 0.00 175.35 174.89 1rj2 s PHE 913 N -1.10 0.42 0.00 3.18 -0.12 -0.61 -3.35 117.98 116.41 1rj2 s PHE 913 Ca 0.19 -0.79 0.00 0.00 -0.05 0.00 0.00 56.93 56.28 1rj2 s PHE 913 Cb -0.13 -0.10 -0.01 0.00 -0.63 0.00 0.00 43.02 42.16 1rj2 s PHE 913 CO 0.08 -0.68 -0.02 -1.83 -0.05 0.00 0.00 175.22 172.72 1rj2 s GLU 914 N -3.96 0.13 -0.18 1.99 -1.05 -0.99 -1.39 118.70 113.24 1rj2 s GLU 914 Ca 0.17 -0.17 -0.07 0.00 -0.15 0.00 0.00 54.97 54.75 1rj2 s GLU 914 Cb 0.04 -0.04 -0.04 0.00 -0.44 0.00 0.00 34.13 33.65 1rj2 s GLU 914 CO -0.01 0.01 0.05 0.42 0.95 0.00 0.00 175.26 176.68 1rj2 s ILE 915 N -0.35 4.64 0.04 1.83 1.01 -0.86 -1.27 121.20 126.24 1rj2 s ILE 915 Ca -0.03 -0.09 -0.05 0.00 0.00 0.00 0.00 60.65 60.49 1rj2 s ILE 915 Cb -0.03 -3.09 -0.02 0.00 0.01 0.00 0.00 42.46 39.34 1rj2 s ILE 915 CO -0.00 0.46 0.07 -1.66 0.00 0.00 0.00 174.94 173.81 1rj2 s TRP 916 N 0.44 0.26 0.27 3.97 1.48 -0.83 -1.28 118.94 123.25 1rj2 s TRP 916 Ca 0.02 -0.62 0.11 0.00 -1.06 0.00 0.00 56.10 54.54 1rj2 s TRP 916 Cb -0.13 -0.18 -0.05 0.00 -1.16 0.00 0.00 33.47 31.95 1rj2 s TRP 916 CO 0.01 -0.38 -0.09 0.71 -4.06 0.00 0.00 176.95 173.14 1rj2 s TYR 917 N -2.93 2.52 0.00 1.66 1.51 -0.53 0.53 117.35 120.11 1rj2 s TYR 917 Ca -0.02 -0.28 0.00 0.00 -1.01 0.00 0.00 57.07 55.76 1rj2 s TYR 917 Cb 0.01 -1.12 0.00 0.00 -0.11 0.00 0.00 41.96 40.74 1rj2 s TYR 917 CO -0.06 0.66 0.00 0.09 -1.11 0.00 0.00 175.55 175.13 1rj2 n ASN 918 N -0.78 0.00 -1.37 2.29 3.02 -1.21 0.33 115.26 117.54 1rj2 n ASN 918 Ca -0.06 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.49 1rj2 n ASN 918 Cb 0.60 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.77 1rj2 n ASN 918 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1rj2 n ALA 919 N 5.25 2.73 -2.34 5.41 0.00 -1.26 -4.46 120.51 125.84 1rj2 n ALA 919 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1rj2 n ALA 919 Cb 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.27 1rj2 n ALA 919 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1rj2 n ARG 920 N 1.22 -1.32 -0.09 0.00 1.74 0.98 -4.88 116.66 114.30 1rj2 n ARG 920 Ca 0.00 0.46 0.25 0.00 -0.77 0.00 0.00 57.85 57.79 1rj2 n ARG 920 Cb 0.34 -4.45 0.71 0.00 -1.02 0.00 0.00 32.46 28.03 1rj2 n ARG 920 CO 0.00 0.00 0.00 1.05 -1.52 0.00 0.00 177.63 177.16 1rj2 h GLU 921 N -0.23 0.00 -4.28 5.56 4.11 -0.26 -3.34 114.58 116.14 1rj2 h GLU 921 Ca -0.24 0.00 -0.55 0.00 0.07 0.00 0.00 59.36 58.64 1rj2 h GLU 921 Cb 1.17 0.00 -0.37 0.00 0.50 0.00 0.00 28.75 30.05 1rj2 h GLU 921 CO 0.28 0.00 -0.80 -1.21 0.07 0.00 0.00 179.01 177.34 1rj2 s GLU 922 N -4.98 1.62 -0.08 1.06 2.02 -1.25 0.11 118.70 117.20 1rj2 s GLU 922 Ca -0.05 -0.43 0.02 0.00 0.02 0.00 0.00 54.97 54.52 1rj2 s GLU 922 Cb 0.21 -1.87 -0.02 0.00 0.10 0.00 0.00 34.13 32.54 1rj2 s GLU 922 CO 0.75 -0.34 -0.12 0.08 0.02 0.00 0.00 175.26 175.65 1rj2 s VAL 923 N 1.63 3.21 -0.10 2.63 1.01 -1.25 -1.45 120.40 126.10 1rj2 s VAL 923 Ca 0.03 -0.64 0.02 0.00 0.00 0.00 0.00 61.98 61.38 1rj2 s VAL 923 Cb -0.14 -2.30 0.01 0.00 0.00 0.00 0.00 36.38 33.95 1rj2 s VAL 923 CO -0.08 0.57 -0.14 -0.31 0.00 0.00 0.00 175.10 175.13 1rj2 s TYR 924 N -0.38 1.80 -0.31 5.22 1.51 -0.41 -2.82 117.35 121.97 1rj2 s TYR 924 Ca 0.04 -0.79 -0.09 0.00 -1.01 0.00 0.00 57.07 55.22 1rj2 s TYR 924 Cb -0.12 -1.31 -0.01 0.00 -0.11 0.00 0.00 41.96 40.41 1rj2 s TYR 924 CO 0.02 -0.42 0.14 0.42 -1.11 0.00 0.00 175.55 174.61 1rj2 s ILE 925 N 0.92 4.53 -0.15 2.71 1.09 0.62 -2.03 121.20 128.89 1rj2 s ILE 925 Ca -0.09 -0.45 -0.04 0.00 -1.10 0.00 0.00 60.65 58.97 1rj2 s ILE 925 Cb -0.15 -3.31 -0.03 0.00 -1.06 0.00 0.00 42.46 37.91 1rj2 s ILE 925 CO -0.00 0.07 -0.01 -0.63 -0.10 0.00 0.00 174.94 174.27 1rj2 s ILE 926 N 1.60 4.15 -0.27 2.92 1.09 -0.49 -1.17 121.20 129.03 1rj2 s ILE 926 Ca 0.04 -0.27 -0.06 0.00 -1.10 0.00 0.00 60.65 59.26 1rj2 s ILE 926 Cb -0.17 -2.82 0.00 0.00 -1.06 0.00 0.00 42.46 38.41 1rj2 s ILE 926 CO 0.06 0.50 0.04 -1.58 -0.10 0.00 0.00 174.94 173.87 1rj2 s GLN 927 N 0.15 3.21 0.62 2.79 0.74 -0.78 -1.58 119.66 124.82 1rj2 s GLN 927 Ca 0.00 -0.77 -0.10 0.00 0.05 0.00 0.00 55.36 54.54 1rj2 s GLN 927 Cb -0.13 -3.26 -0.03 0.00 1.10 0.00 0.00 33.01 30.68 1rj2 s GLN 927 CO 0.02 -0.35 1.02 0.00 -0.55 0.00 0.00 175.29 175.43 1rj2 s ALA 928 N 1.50 3.09 -0.53 1.58 0.00 0.12 -3.35 121.76 124.17 1rj2 s ALA 928 Ca 0.04 -0.18 0.24 0.00 0.00 0.00 0.00 51.96 52.05 1rj2 s ALA 928 Cb -0.16 -3.02 0.95 0.00 0.00 0.00 0.00 23.12 20.89 1rj2 s ALA 928 CO 0.01 -0.74 1.71 -0.35 0.00 0.00 0.00 175.76 176.39 1rj2 n PRO 929 N -2.75 0.20 -3.53 0.00 -0.04 -1.26 -4.79 135.00 122.82 1rj2 n PRO 929 Ca 0.06 0.39 -0.18 0.00 -0.04 0.00 0.00 63.50 63.73 1rj2 n PRO 929 Cb 0.55 -1.85 -0.06 0.00 -0.04 0.00 0.00 33.50 32.10 1rj2 n PRO 929 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1rj2 s THR 930 N -3.28 0.00 0.44 0.52 -4.23 -1.26 -5.03 115.64 102.80 1rj2 s THR 930 Ca 0.05 -0.01 0.20 0.00 -1.18 0.00 0.00 61.69 60.75 1rj2 s THR 930 Cb 0.10 -0.99 0.40 0.00 1.34 0.00 0.00 72.50 73.35 1rj2 s THR 930 CO 0.41 -0.01 1.86 -0.65 -0.54 0.00 0.00 174.62 175.70 1rj2 h PRO 931 N 3.07 0.31 0.29 3.99 0.11 -1.87 -0.22 132.00 137.68 1rj2 h PRO 931 Ca -0.27 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.82 1rj2 h PRO 931 Cb 1.14 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 1rj2 h PRO 931 CO 0.38 0.20 -0.24 0.93 -0.21 0.00 0.00 178.00 179.07 1rj2 h GLU 932 N 0.32 -0.52 -0.68 1.05 3.07 -1.96 0.21 114.58 116.08 1rj2 h GLU 932 Ca 0.46 0.04 0.01 0.00 -0.50 0.00 0.00 59.36 59.37 1rj2 h GLU 932 Cb 1.29 0.12 -0.03 0.00 -0.84 0.00 0.00 28.75 29.28 1rj2 h GLU 932 CO -0.15 -0.35 0.45 0.82 -1.40 0.00 0.00 179.01 178.38 1rj2 h ILE 933 N -0.54 1.17 -0.19 3.13 5.03 -1.48 -1.54 117.51 123.09 1rj2 h ILE 933 Ca -0.02 -0.31 0.03 0.00 -0.12 0.00 0.00 64.86 64.44 1rj2 h ILE 933 Cb 0.48 0.18 -0.03 0.00 -3.03 0.00 0.00 36.82 34.42 1rj2 h ILE 933 CO -0.02 0.17 0.00 0.50 -0.68 0.00 0.00 178.15 178.12 1rj2 h LYS 934 N 0.91 0.06 0.14 2.37 3.64 -0.91 -0.88 116.57 121.90 1rj2 h LYS 934 Ca 0.25 -0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.63 1rj2 h LYS 934 Cb -0.10 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.68 1rj2 h LYS 934 CO -0.06 0.04 -0.41 0.00 -2.27 0.00 0.00 179.45 176.76 1rj2 h ALA 935 N 1.16 -0.93 -0.48 5.00 0.00 -0.10 0.07 119.26 123.98 1rj2 h ALA 935 Ca 0.09 -0.10 0.09 0.00 0.00 0.00 0.00 54.91 54.99 1rj2 h ALA 935 Cb 0.11 0.77 -0.10 0.00 0.00 0.00 0.00 17.79 18.57 1rj2 h ALA 935 CO -0.15 -1.02 -0.36 0.00 0.00 0.00 0.00 179.25 177.73 1rj2 h ALA 936 N -0.83 -0.20 -0.15 0.00 0.00 -1.05 0.27 119.26 117.30 1rj2 h ALA 936 Ca -0.01 0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.04 1rj2 h ALA 936 Cb 0.60 0.79 -0.03 0.00 0.00 0.00 0.00 17.79 19.16 1rj2 h ALA 936 CO -0.20 -0.75 -0.05 -1.49 0.00 0.00 0.00 179.25 176.77 1rj2 h TRP 937 N -0.24 -0.11 -0.62 0.00 4.06 -0.94 0.66 115.95 118.76 1rj2 h TRP 937 Ca 0.19 0.01 0.07 0.00 2.06 0.00 0.00 58.89 61.22 1rj2 h TRP 937 Cb 0.55 0.07 -0.06 0.00 -1.00 0.00 0.00 29.16 28.73 1rj2 h TRP 937 CO -0.60 -0.08 0.31 0.28 -3.56 0.00 0.00 178.44 174.79 1rj2 h VAL 938 N -0.02 0.90 0.28 1.49 2.07 -0.09 0.07 116.25 120.95 1rj2 h VAL 938 Ca 0.08 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 1rj2 h VAL 938 Cb 0.13 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 30.19 1rj2 h VAL 938 CO -0.17 0.10 -0.13 -1.13 0.02 0.00 0.00 177.57 176.27 1rj2 h ASN 939 N 0.57 -0.31 -0.09 0.57 -0.73 0.54 -1.06 115.58 115.06 1rj2 h ASN 939 Ca 0.29 -0.04 0.03 0.00 1.87 0.00 0.00 56.30 58.45 1rj2 h ASN 939 Cb 0.25 0.08 -0.00 0.00 0.27 0.00 0.00 38.32 38.91 1rj2 h ASN 939 CO -0.22 -0.17 0.08 -0.08 -0.37 0.00 0.00 177.43 176.68 1rj2 h GLU 940 N -0.44 0.00 -0.04 6.67 4.57 0.72 -1.01 114.58 125.05 1rj2 h GLU 940 Ca -0.04 0.00 -0.25 0.00 -1.18 0.00 0.00 59.36 57.90 1rj2 h GLU 940 Cb 0.33 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 28.94 1rj2 h GLU 940 CO 0.06 0.00 -0.93 0.82 -1.18 0.00 0.00 179.01 177.78 1rj2 h ILE 941 N 0.00 1.29 -0.11 2.32 2.04 -0.58 -2.66 117.51 119.81 1rj2 h ILE 941 Ca 0.04 -2.15 0.04 0.00 1.00 0.00 0.00 64.86 63.79 1rj2 h ILE 941 Cb 0.20 2.29 -0.04 0.00 -0.74 0.00 0.00 36.82 38.53 1rj2 h ILE 941 CO -0.00 0.67 -0.14 0.03 0.00 0.00 0.00 178.15 178.71 1rj2 h ARG 942 N 0.39 -0.17 -0.34 2.37 2.47 0.12 -0.82 114.38 118.40 1rj2 h ARG 942 Ca -0.10 0.01 0.08 0.00 -1.26 0.00 0.00 59.98 58.70 1rj2 h ARG 942 Cb 1.58 0.04 -0.08 0.00 -1.65 0.00 0.00 29.97 29.86 1rj2 h ARG 942 CO 0.19 -0.11 -0.23 0.87 0.56 0.00 0.00 179.97 181.25 1rj2 h LYS 943 N -0.18 -0.18 -0.98 0.04 1.57 -1.42 0.23 116.57 115.65 1rj2 h LYS 943 Ca 0.08 0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.93 1rj2 h LYS 943 Cb 0.30 0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.59 1rj2 h LYS 943 CO -0.22 -0.12 0.64 0.28 -0.57 0.00 0.00 179.45 179.47 1rj2 h VAL 944 N -0.18 1.13 0.30 0.50 2.07 -1.07 -0.93 116.25 118.07 1rj2 h VAL 944 Ca 0.17 -0.41 -0.01 0.00 0.82 0.00 0.00 66.70 67.27 1rj2 h VAL 944 Cb 0.45 -0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.05 1rj2 h VAL 944 CO -0.45 0.22 -0.14 -0.07 0.02 0.00 0.00 177.57 177.15 1rj2 h LEU 945 N 1.20 -0.34 -1.25 2.57 3.38 0.36 -3.17 115.31 118.07 1rj2 h LEU 945 Ca 0.41 -0.18 0.02 0.00 0.09 0.00 0.00 57.88 58.22 1rj2 h LEU 945 Cb 0.09 0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.88 1rj2 h LEU 945 CO -0.14 0.02 0.52 0.74 0.09 0.00 0.00 178.44 179.66 1rj2 h THR 946 N -0.74 1.16 0.00 0.22 2.02 -0.53 0.18 112.91 115.22 1rj2 h THR 946 Ca -0.04 -0.34 0.00 0.00 0.77 0.00 0.00 66.41 66.80 1rj2 h THR 946 Cb 0.49 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 66.97 1rj2 h THR 946 CO 0.07 0.18 0.11 -0.24 0.37 0.00 0.00 175.52 176.01 1rj2 n SER 947 N -4.44 0.20 0.02 4.18 2.88 -0.36 -0.78 113.62 115.33 1rj2 n SER 947 Ca 0.09 0.52 0.13 0.00 -1.33 0.00 0.00 58.87 58.29 1rj2 n SER 947 Cb 0.08 -0.53 0.36 0.00 -0.75 0.00 0.00 64.21 63.37 1rj2 n SER 947 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1rj2 n GLN 948 N -1.74 0.08 -0.04 -1.46 6.02 0.63 -4.08 117.38 116.79 1rj2 n GLN 948 Ca -0.01 0.04 -0.06 0.00 -0.01 0.00 0.00 57.00 56.96 1rj2 n GLN 948 Cb 0.12 -1.57 -0.04 0.00 1.02 0.00 0.00 30.24 29.78 1rj2 n GLN 948 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1rj2 n LEU 949 N -1.70 2.94 0.00 1.08 4.77 0.04 -3.54 117.00 120.59 1rj2 n LEU 949 Ca 0.06 -0.04 0.01 0.00 -0.03 0.00 0.00 56.01 56.00 1rj2 n LEU 949 Cb 0.37 -0.29 0.03 0.00 -2.33 0.00 0.00 43.42 41.20 1rj2 n LEU 949 CO 0.32 0.63 0.15 0.00 -1.33 0.00 0.00 177.39 177.17 1rj2 n GLN 950 N -2.74 0.18 0.00 3.23 3.00 -1.05 -2.21 117.38 117.80 1rj2 n GLN 950 Ca -0.15 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.84 1rj2 n GLN 950 Cb 0.66 -1.09 0.00 0.00 0.00 0.00 0.00 30.24 29.81 1rj2 n GLN 950 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1rj2 n ALA 951 N -0.59 1.87 0.12 -1.58 0.00 -1.26 -4.84 120.51 114.23 1rj2 n ALA 951 Ca 0.01 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 1rj2 n ALA 951 Cb 0.00 0.00 0.24 0.00 0.00 0.00 0.00 19.45 19.70 1rj2 n ALA 951 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rj2 n ARG 953 N -1.83 0.99 0.00 0.00 1.74 -0.94 -2.65 116.66 113.97 1rj2 n ARG 953 Ca -0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.07 1rj2 n ARG 953 Cb 0.32 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.27 1rj2 n ARG 953 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1rj2 n GLU 954 N -0.99 3.47 0.04 5.56 1.02 0.38 -4.58 120.64 125.52 1rj2 n GLU 954 Ca 0.23 0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.51 1rj2 n GLU 954 Cb 0.11 -0.35 0.46 0.00 -0.02 0.00 0.00 31.44 31.63 1rj2 n GLU 954 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1rj2 n ALA 955 N -0.15 2.55 0.38 0.62 0.00 0.61 -2.94 120.51 121.57 1rj2 n ALA 955 Ca 0.00 -0.13 0.04 0.00 0.00 0.00 0.00 53.44 53.35 1rj2 n ALA 955 Cb 0.00 -1.39 -0.03 0.00 0.00 0.00 0.00 19.45 18.03 1rj2 n ALA 955 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1rj2 n SER 956 N -1.78 0.62 0.00 0.00 3.41 -1.08 -4.28 113.62 110.50 1rj2 n SER 956 Ca 0.06 -0.81 0.09 0.00 -0.26 0.00 0.00 58.87 57.95 1rj2 n SER 956 Cb 0.38 0.82 0.42 0.00 -0.26 0.00 0.00 64.21 65.57 1rj2 n SER 956 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 1rj2 n GLN 957 N -0.89 0.09 -0.39 4.33 -0.06 -1.15 -2.56 117.38 116.74 1rj2 n GLN 957 Ca 0.02 0.16 -0.06 0.00 -2.00 0.00 0.00 57.00 55.13 1rj2 n GLN 957 Cb 0.14 -1.50 0.03 0.00 -4.06 0.00 0.00 30.24 24.85 1rj2 n GLN 957 CO 0.00 0.00 0.00 0.72 -0.20 0.00 0.00 177.06 177.58 1rj2 n HIS 958 N -1.43 0.64 -0.47 3.69 8.25 -1.25 -1.44 115.22 123.21 1rj2 n HIS 958 Ca 0.06 -0.99 0.00 0.00 -0.26 0.00 0.00 57.72 56.53 1rj2 n HIS 958 Cb 0.19 -0.49 0.00 0.00 1.12 0.00 0.00 29.99 30.81 1rj2 n HIS 958 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1rj2 n ARG 959 N 0.44 0.48 -0.10 -0.41 5.12 -1.06 -4.08 116.66 117.05 1rj2 n ARG 959 Ca 0.13 -0.06 -0.12 0.00 -1.93 0.00 0.00 57.85 55.86 1rj2 n ARG 959 Cb 0.67 -0.41 -0.12 0.00 -1.16 0.00 0.00 32.46 31.44 1rj2 n ARG 959 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1rj2 n ALA 960 N -0.09 1.54 -0.23 7.54 0.00 -0.52 -3.37 120.51 125.38 1rj2 n ALA 960 Ca 0.00 -1.07 0.03 0.00 0.00 0.00 0.00 53.44 52.40 1rj2 n ALA 960 Cb 0.12 -0.07 0.05 0.00 0.00 0.00 0.00 19.45 19.55 1rj2 n ALA 960 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1rj2 n LEU 961 N -2.89 2.26 0.00 0.00 0.00 -1.14 -4.28 117.00 110.96 1rj2 n LEU 961 Ca -0.34 -2.21 0.00 0.00 0.00 0.00 0.00 56.01 53.46 1rj2 n LEU 961 Cb 1.00 -0.12 0.00 0.00 0.00 0.00 0.00 43.42 44.30 1rj2 n LEU 961 CO 0.30 0.57 -0.26 1.21 0.00 0.00 0.00 177.39 179.22 1rj2 n GLU 962 N -0.50 1.69 0.11 1.96 4.07 -1.26 -4.72 120.64 122.00 1rj2 n GLU 962 Ca 0.05 0.00 0.12 0.00 -0.06 0.00 0.00 57.16 57.27 1rj2 n GLU 962 Cb 0.36 -0.76 0.11 0.00 -0.06 0.00 0.00 31.44 31.09 1rj2 n GLU 962 CO 0.00 0.00 0.00 1.96 -0.06 0.00 0.00 177.13 179.03 1rj2 h GLN 963 N 0.00 0.00 0.00 5.31 4.20 -1.72 -3.22 115.11 119.67 1rj2 h GLN 963 Ca 0.00 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.65 1rj2 h GLN 963 Cb 0.51 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.29 1rj2 h GLN 963 CO 0.00 0.00 -0.28 1.03 -0.67 0.00 0.00 178.83 178.91 1rj2 h SER 964 N 0.00 0.00 0.05 1.46 0.87 -1.74 -2.80 113.55 111.38 1rj2 h SER 964 Ca 0.00 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1rj2 h SER 964 Cb 0.89 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.85 1rj2 h SER 964 CO 0.00 0.28 -0.02 0.45 -0.53 0.00 0.00 176.83 177.01 1rj2 h HIS 965 N 0.00 -0.06 0.00 2.24 3.86 -1.84 -3.51 115.15 115.84 1rj2 h HIS 965 Ca -0.00 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1rj2 h HIS 965 Cb 0.58 0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.07 1rj2 h HIS 965 CO 0.00 0.25 0.00 0.43 0.86 0.00 0.00 177.93 179.47