#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rj2 n GLU 625 N 0.00 1.55 0.23 5.31 2.13 -1.26 -4.97 120.64 123.64 1rj2 n GLU 625 Ca 0.00 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.69 1rj2 n GLU 625 Cb 0.00 -0.13 -0.07 0.00 0.27 0.00 0.00 31.44 31.51 1rj2 n GLU 625 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1rj2 h GLU 626 N 0.00 -0.60 -0.76 5.31 4.57 -2.03 -2.98 114.58 118.09 1rj2 h GLU 626 Ca 0.00 0.04 0.26 0.00 -1.18 0.00 0.00 59.36 58.49 1rj2 h GLU 626 Cb 0.00 0.14 -0.14 0.00 -0.16 0.00 0.00 28.75 28.59 1rj2 h GLU 626 CO 0.00 -0.29 0.21 -1.91 -1.18 0.00 0.00 179.01 175.84 1rj2 n GLU 627 N -5.23 -0.05 0.16 1.92 2.13 -1.26 -0.21 120.64 118.10 1rj2 n GLU 627 Ca -0.10 1.09 -0.06 0.00 0.66 0.00 0.00 57.16 58.75 1rj2 n GLU 627 Cb 0.30 -1.85 -0.03 0.00 0.27 0.00 0.00 31.44 30.13 1rj2 n GLU 627 CO 0.00 0.00 0.00 0.77 -0.41 0.00 0.00 177.13 177.49 1rj2 h SER 628 N 0.00 -0.35 -0.50 4.31 0.02 -1.94 -2.52 113.55 112.58 1rj2 h SER 628 Ca 0.55 0.01 0.06 0.00 -0.84 0.00 0.00 61.79 61.58 1rj2 h SER 628 Cb 1.33 0.09 -0.09 0.00 0.14 0.00 0.00 62.40 63.87 1rj2 h SER 628 CO -0.65 -0.21 -0.54 -0.07 -1.14 0.00 0.00 176.83 174.22 1rj2 h LEU 629 N -0.49 -1.82 -0.95 5.07 3.38 -0.43 0.15 115.31 120.22 1rj2 h LEU 629 Ca -0.04 0.25 0.29 0.00 0.09 0.00 0.00 57.88 58.47 1rj2 h LEU 629 Cb 0.31 0.77 -0.16 0.00 0.09 0.00 0.00 40.66 41.67 1rj2 h LEU 629 CO 0.07 -0.37 0.28 0.00 0.09 0.00 0.00 178.44 178.51 1rj2 h ALA 630 N 0.15 1.51 -0.08 1.53 0.00 -1.07 0.88 119.26 122.18 1rj2 h ALA 630 Ca 0.10 0.26 -0.07 0.00 0.00 0.00 0.00 54.91 55.20 1rj2 h ALA 630 Cb 0.57 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1rj2 h ALA 630 CO -0.65 -0.61 -0.29 0.97 0.00 0.00 0.00 179.25 178.67 1rj2 h ILE 631 N 0.13 1.24 -0.13 0.00 2.10 -0.26 -1.79 117.51 118.79 1rj2 h ILE 631 Ca 0.65 -1.14 -0.22 0.00 1.08 0.00 0.00 64.86 65.24 1rj2 h ILE 631 Cb 1.45 1.50 0.01 0.00 -1.09 0.00 0.00 36.82 38.69 1rj2 h ILE 631 CO -0.75 0.34 -0.77 -0.07 -1.08 0.00 0.00 178.15 175.82 1rj2 h LEU 632 N 0.13 0.84 -0.72 2.19 3.38 0.14 -2.33 115.31 118.94 1rj2 h LEU 632 Ca 0.02 -0.55 -0.00 0.00 0.09 0.00 0.00 57.88 57.44 1rj2 h LEU 632 Cb 0.58 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.05 1rj2 h LEU 632 CO 0.04 1.34 0.45 0.03 0.09 0.00 0.00 178.44 180.38 1rj2 h ARG 633 N 0.48 0.97 -0.50 1.13 3.08 -0.68 -0.73 114.38 118.14 1rj2 h ARG 633 Ca -0.05 -0.08 -0.03 0.00 0.07 0.00 0.00 59.98 59.89 1rj2 h ARG 633 Cb 1.39 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 31.21 1rj2 h ARG 633 CO 0.15 0.68 0.17 -0.09 -1.07 0.00 0.00 179.97 179.81 1rj2 h ARG 634 N 0.98 0.73 -0.51 0.04 9.65 -1.29 -1.28 114.38 122.71 1rj2 h ARG 634 Ca 0.26 -0.12 -0.01 0.00 -1.10 0.00 0.00 59.98 59.01 1rj2 h ARG 634 Cb -0.05 -0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 28.38 1rj2 h ARG 634 CO -0.05 0.62 0.26 0.45 2.80 0.00 0.00 179.97 184.05 1rj2 h HIS 635 N 0.72 0.72 -0.32 2.20 3.86 -0.58 -1.48 115.15 120.27 1rj2 h HIS 635 Ca 0.17 -0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.32 1rj2 h HIS 635 Cb 0.19 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 28.42 1rj2 h HIS 635 CO 0.01 0.55 0.07 0.28 0.86 0.00 0.00 177.93 179.70 1rj2 h VAL 636 N 0.68 1.23 -0.94 2.45 2.07 -0.91 -2.44 116.25 118.38 1rj2 h VAL 636 Ca 0.18 -0.77 0.17 0.00 0.82 0.00 0.00 66.70 67.10 1rj2 h VAL 636 Cb 0.09 1.11 -0.08 0.00 -1.52 0.00 0.00 31.29 30.89 1rj2 h VAL 636 CO -0.03 0.25 0.60 -0.03 0.02 0.00 0.00 177.57 178.39 1rj2 h MET 637 N 0.36 0.64 -0.47 1.57 -1.53 -0.95 0.41 114.93 114.95 1rj2 h MET 637 Ca 0.10 -0.04 -0.03 0.00 -3.44 0.00 0.00 59.70 56.29 1rj2 h MET 637 Cb 0.31 -0.14 -0.02 0.00 -0.55 0.00 0.00 31.60 31.20 1rj2 h MET 637 CO 0.00 0.42 0.18 -0.91 0.14 0.00 0.00 176.91 176.75 1rj2 h ASN 638 N 0.66 0.66 -0.11 1.39 2.35 -0.80 -1.23 115.58 118.51 1rj2 h ASN 638 Ca 0.50 -0.18 -0.01 0.00 -0.55 0.00 0.00 56.30 56.06 1rj2 h ASN 638 Cb 0.89 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 39.08 1rj2 h ASN 638 CO -0.25 0.66 0.02 -0.08 -1.65 0.00 0.00 177.43 176.13 1rj2 h GLU 639 N 0.63 0.17 -0.60 0.81 4.81 -0.75 0.64 114.58 120.29 1rj2 h GLU 639 Ca 0.16 -0.04 0.10 0.00 -0.13 0.00 0.00 59.36 59.44 1rj2 h GLU 639 Cb 0.21 -0.02 -0.08 0.00 0.63 0.00 0.00 28.75 29.50 1rj2 h GLU 639 CO -0.01 0.37 0.20 1.25 -0.73 0.00 0.00 179.01 180.08 1rj2 h LEU 640 N -0.05 0.17 -0.20 1.64 5.85 -0.95 0.25 115.31 122.02 1rj2 h LEU 640 Ca 0.03 0.09 -0.20 0.00 0.84 0.00 0.00 57.88 58.64 1rj2 h LEU 640 Cb 0.27 0.08 0.01 0.00 0.37 0.00 0.00 40.66 41.39 1rj2 h LEU 640 CO 0.00 0.10 -0.64 -0.07 -0.34 0.00 0.00 178.44 177.49 1rj2 h LEU 641 N 0.36 0.91 0.04 2.25 4.07 -1.03 -0.77 115.31 121.14 1rj2 h LEU 641 Ca 0.31 -0.59 -0.00 0.00 0.08 0.00 0.00 57.88 57.68 1rj2 h LEU 641 Cb 0.40 -0.26 0.00 0.00 1.08 0.00 0.00 40.66 41.88 1rj2 h LEU 641 CO -0.33 1.34 -0.02 0.44 -1.08 0.00 0.00 178.44 178.79 1rj2 h ASP 642 N 0.52 -0.04 -0.51 -0.43 3.32 0.10 -1.32 116.42 118.06 1rj2 h ASP 642 Ca -0.02 -0.15 -0.08 0.00 0.02 0.00 0.00 57.03 56.79 1rj2 h ASP 642 Cb 1.26 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.80 1rj2 h ASP 642 CO 0.14 0.13 0.02 0.71 -1.72 0.00 0.00 179.24 178.52 1rj2 h THR 643 N -0.21 1.25 0.33 0.35 1.35 -0.62 -2.41 112.91 112.95 1rj2 h THR 643 Ca -0.01 -1.05 0.00 0.00 -0.55 0.00 0.00 66.41 64.80 1rj2 h THR 643 Cb 0.19 0.80 -0.03 0.00 -1.73 0.00 0.00 68.15 67.39 1rj2 h THR 643 CO 0.01 0.38 -0.43 -0.08 -0.25 0.00 0.00 175.52 175.15 1rj2 h GLU 644 N 0.86 -0.78 -0.73 4.72 4.57 -0.94 0.50 114.58 122.79 1rj2 h GLU 644 Ca 0.16 0.05 0.14 0.00 -1.18 0.00 0.00 59.36 58.53 1rj2 h GLU 644 Cb 0.48 0.18 -0.09 0.00 -0.16 0.00 0.00 28.75 29.15 1rj2 h GLU 644 CO 0.02 -0.52 0.27 0.00 -1.18 0.00 0.00 179.01 177.60 1rj2 h ARG 645 N -0.81 0.39 -0.49 1.92 3.08 -1.15 -0.32 114.38 117.01 1rj2 h ARG 645 Ca -0.02 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 1rj2 h ARG 645 Cb 0.75 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.69 1rj2 h ARG 645 CO -0.13 0.26 0.22 0.00 -1.07 0.00 0.00 179.97 179.26 1rj2 h ALA 646 N 1.54 0.63 -0.21 0.04 0.00 -0.87 -0.54 119.26 119.86 1rj2 h ALA 646 Ca 0.40 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 55.23 1rj2 h ALA 646 Cb 0.60 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.13 1rj2 h ALA 646 CO -0.41 0.21 -0.23 -0.92 0.00 0.00 0.00 179.25 177.90 1rj2 h TYR 647 N 0.64 -0.60 0.18 0.00 3.20 0.16 0.54 116.97 121.10 1rj2 h TYR 647 Ca 0.17 0.03 0.01 0.00 3.14 0.00 0.00 58.73 62.08 1rj2 h TYR 647 Cb 0.14 0.30 -0.02 0.00 1.54 0.00 0.00 36.73 38.69 1rj2 h TYR 647 CO -0.00 -0.31 -0.21 0.28 -1.64 0.00 0.00 178.16 176.28 1rj2 h VAL 648 N -0.25 0.53 -0.50 1.81 2.07 -0.99 -0.50 116.25 118.43 1rj2 h VAL 648 Ca 0.13 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.73 1rj2 h VAL 648 Cb 0.44 0.53 -0.07 0.00 -1.52 0.00 0.00 31.29 30.67 1rj2 h VAL 648 CO -0.35 0.00 0.07 -0.33 0.02 0.00 0.00 177.57 176.98 1rj2 h GLU 649 N -0.44 0.19 0.31 1.57 5.08 -0.46 -0.63 114.58 120.21 1rj2 h GLU 649 Ca 0.01 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1rj2 h GLU 649 Cb 0.42 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 1rj2 h GLU 649 CO -0.07 0.13 -0.26 0.93 -1.00 0.00 0.00 179.01 178.74 1rj2 h GLU 650 N 0.20 -0.56 -0.58 2.33 5.08 0.57 -1.17 114.58 120.45 1rj2 h GLU 650 Ca 0.25 0.04 0.07 0.00 -1.00 0.00 0.00 59.36 58.72 1rj2 h GLU 650 Cb 0.35 0.13 -0.06 0.00 0.50 0.00 0.00 28.75 29.67 1rj2 h GLU 650 CO -0.35 -0.37 0.27 -0.07 -1.00 0.00 0.00 179.01 177.48 1rj2 h LEU 651 N -0.58 0.34 -0.26 1.33 3.38 -0.85 -2.76 115.31 115.91 1rj2 h LEU 651 Ca -0.02 0.05 0.04 0.00 0.09 0.00 0.00 57.88 58.04 1rj2 h LEU 651 Cb 0.51 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.22 1rj2 h LEU 651 CO -0.02 0.22 -0.00 0.25 0.09 0.00 0.00 178.44 178.98 1rj2 h LEU 652 N 0.49 -0.11 -1.99 1.67 5.85 -0.67 -1.10 115.31 119.45 1rj2 h LEU 652 Ca 0.27 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 59.03 1rj2 h LEU 652 Cb 0.25 0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.38 1rj2 h LEU 652 CO -0.22 -0.02 -0.10 0.00 -0.34 0.00 0.00 178.44 177.75 1rj2 h VAL 654 N 0.00 1.34 -0.14 0.00 2.07 -1.10 2.02 116.25 120.44 1rj2 h VAL 654 Ca -0.00 -2.12 -0.08 0.00 0.82 0.00 0.00 66.70 65.32 1rj2 h VAL 654 Cb 0.22 2.39 -0.01 0.00 -1.52 0.00 0.00 31.29 32.37 1rj2 h VAL 654 CO 0.01 0.64 -0.28 -0.07 0.02 0.00 0.00 177.57 177.90 1rj2 h LEU 655 N 0.21 0.26 0.10 2.57 3.38 -0.55 0.47 115.31 121.74 1rj2 h LEU 655 Ca -0.09 -0.08 -0.30 0.00 0.09 0.00 0.00 57.88 57.49 1rj2 h LEU 655 Cb 1.48 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 42.15 1rj2 h LEU 655 CO 0.16 0.54 -1.59 -0.33 0.09 0.00 0.00 178.44 177.31 1rj2 h GLU 656 N 0.23 0.21 0.00 1.13 5.08 -0.98 0.87 114.58 121.12 1rj2 h GLU 656 Ca 0.03 -0.35 -0.09 0.00 -1.00 0.00 0.00 59.36 57.95 1rj2 h GLU 656 Cb 0.62 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 1rj2 h GLU 656 CO 0.04 1.17 -0.45 0.78 -1.00 0.00 0.00 179.01 179.55 1rj2 h GLY 657 N 0.22 0.00 0.00 -3.84 0.00 0.33 -3.37 103.07 96.41 1rj2 h GLY 657 Ca -0.36 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.97 1rj2 h GLY 657 CO 0.02 0.00 0.00 -1.72 0.00 0.00 0.00 176.54 174.84 1rj2 n TYR 658 N -3.55 -0.39 0.09 5.60 4.02 0.16 -4.74 117.16 118.34 1rj2 n TYR 658 Ca -0.00 0.07 -0.14 0.00 -0.01 0.00 0.00 57.90 57.82 1rj2 n TYR 658 Cb 0.56 0.13 -0.09 0.00 -0.02 0.00 0.00 39.34 39.93 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 -0.93 -0.98 -0.72 0.00 -1.41 -1.72 119.26 113.49 1rj2 h ALA 659 Ca 0.00 -0.09 0.21 0.00 0.00 0.00 0.00 54.91 55.03 1rj2 h ALA 659 Cb 0.00 0.86 -0.09 0.00 0.00 0.00 0.00 17.79 18.56 1rj2 h ALA 659 CO 0.00 -1.05 0.62 0.00 0.00 0.00 0.00 179.25 178.82 1rj2 h ALA 660 N -0.65 1.96 0.00 0.00 0.00 -1.00 0.01 119.26 119.58 1rj2 h ALA 660 Ca -0.00 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1rj2 h ALA 660 Cb 0.65 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 1rj2 h ALA 660 CO -0.27 -0.32 -0.14 0.93 0.00 0.00 0.00 179.25 179.46 1rj2 h GLU 661 N 0.57 0.00 0.00 0.00 4.39 -1.48 -2.03 114.58 116.03 1rj2 h GLU 661 Ca 0.55 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.25 1rj2 h GLU 661 Cb 1.12 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.77 1rj2 h GLU 661 CO -0.30 0.14 0.00 0.52 -1.16 0.00 0.00 179.01 178.21 1rj2 h MET 662 N 0.00 0.00 -0.41 2.33 2.86 -0.54 -1.90 114.93 117.26 1rj2 h MET 662 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1rj2 h MET 662 Cb 0.30 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.96 1rj2 h MET 662 CO 0.02 0.00 0.00 -0.25 1.06 0.00 0.00 176.91 177.74 1rj2 n ASP 663 N -3.07 3.21 -4.57 1.22 8.00 -0.77 -4.89 116.55 115.69 1rj2 n ASP 663 Ca -0.01 -1.93 -0.42 0.00 0.71 0.00 0.00 54.79 53.14 1rj2 n ASP 663 Cb 0.20 -0.27 -0.06 0.00 -0.02 0.00 0.00 41.12 40.97 1rj2 n ASP 663 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1rj2 s ASN 664 N -1.13 6.47 0.25 -2.24 3.04 -0.72 -4.95 114.94 115.66 1rj2 s ASN 664 Ca 0.33 0.16 -0.12 0.00 0.04 0.00 0.00 52.86 53.26 1rj2 s ASN 664 Cb 0.18 -2.37 0.35 0.00 -1.54 0.00 0.00 41.25 37.87 1rj2 s ASN 664 CO 0.24 -0.72 1.57 -0.65 -3.04 0.00 0.00 177.10 174.50 1rj2 h PRO 665 N 8.59 -0.01 -0.78 0.43 0.11 -1.92 0.60 132.00 139.02 1rj2 h PRO 665 Ca -0.25 0.00 0.22 0.00 0.11 0.00 0.00 66.00 66.07 1rj2 h PRO 665 Cb 1.10 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.17 1rj2 h PRO 665 CO 0.89 -0.01 0.55 -0.07 -0.21 0.00 0.00 178.00 179.16 1rj2 h LEU 666 N -0.01 0.07 0.00 2.35 3.38 -1.95 -0.34 115.31 118.81 1rj2 h LEU 666 Ca 0.40 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.38 1rj2 h LEU 666 Cb 0.64 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.38 1rj2 h LEU 666 CO -0.93 0.03 -1.03 0.23 0.09 0.00 0.00 178.44 176.83 1rj2 n MET 667 N -4.34 0.61 -0.39 1.13 2.81 0.20 -4.31 117.12 112.83 1rj2 n MET 667 Ca 0.16 0.12 0.32 0.00 -1.81 0.00 0.00 57.70 56.48 1rj2 n MET 667 Cb 0.80 -1.82 0.62 0.00 -0.71 0.00 0.00 33.22 32.11 1rj2 n MET 667 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1rj2 h ALA 668 N 1.99 2.66 0.00 3.04 0.00 -0.28 0.31 119.26 126.98 1rj2 h ALA 668 Ca -0.00 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1rj2 h ALA 668 Cb 1.01 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1rj2 h ALA 668 CO 0.00 -1.14 0.00 -2.39 0.00 0.00 0.00 179.25 175.72 1rj2 n HIS 669 N -4.54 0.00 0.00 0.00 1.44 -1.26 -1.70 115.22 109.17 1rj2 n HIS 669 Ca 0.31 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 56.02 1rj2 n HIS 669 Cb 1.21 0.00 0.00 0.00 0.12 0.00 0.00 29.99 31.32 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 -0.51 0.00 -4.55 2.39 4.77 0.11 -5.03 117.00 114.17 1rj2 n LEU 670 Ca 0.00 -0.02 -0.42 0.00 -0.03 0.00 0.00 56.01 55.54 1rj2 n LEU 670 Cb 0.00 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.03 1rj2 n LEU 670 CO 0.00 0.00 0.42 -0.51 -1.33 0.00 0.00 177.39 175.97 1rj2 s ILE 671 N -0.47 4.83 -0.38 -0.08 -1.16 -0.69 -4.05 121.20 119.20 1rj2 s ILE 671 Ca 0.00 0.45 -0.27 0.00 -0.51 0.00 0.00 60.65 60.31 1rj2 s ILE 671 Cb 0.00 -4.16 -0.04 0.00 0.61 0.00 0.00 42.46 38.88 1rj2 s ILE 671 CO 0.00 -0.46 2.07 -0.44 -2.81 0.00 0.00 174.94 173.30 1rj2 s SER 672 N 1.90 5.33 0.21 4.50 0.01 -1.26 -4.81 113.70 119.58 1rj2 s SER 672 Ca 0.25 1.25 0.17 0.00 1.31 0.00 0.00 55.95 58.93 1rj2 s SER 672 Cb -0.14 -2.52 0.71 0.00 0.21 0.00 0.00 66.02 64.29 1rj2 s SER 672 CO 0.17 -2.16 0.73 0.41 0.41 0.00 0.00 173.24 172.80 1rj2 n THR 673 N 7.61 -0.10 -0.26 1.44 -1.04 -1.26 0.31 114.28 120.98 1rj2 n THR 673 Ca 0.28 0.82 -0.05 0.00 -2.04 0.00 0.00 64.05 63.05 1rj2 n THR 673 Cb 0.49 -1.34 0.06 0.00 -1.82 0.00 0.00 70.33 67.72 1rj2 n THR 673 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 1rj2 h GLY 674 N 0.00 1.00 -0.22 3.41 0.00 -1.99 -3.03 103.07 102.25 1rj2 h GLY 674 Ca 0.42 -0.37 0.11 0.00 0.00 0.00 0.00 47.33 47.48 1rj2 h GLY 674 CO -0.18 0.37 -0.21 1.41 0.00 0.00 0.00 176.54 177.92 1rj2 h LEU 675 N 0.97 -0.75 -0.65 3.11 3.38 0.44 -2.36 115.31 119.44 1rj2 h LEU 675 Ca 0.26 0.19 0.13 0.00 0.09 0.00 0.00 57.88 58.55 1rj2 h LEU 675 Cb -0.11 0.43 -0.09 0.00 0.09 0.00 0.00 40.66 40.98 1rj2 h LEU 675 CO -0.06 -0.24 0.16 1.56 0.09 0.00 0.00 178.44 179.95 1rj2 h GLN 676 N -0.08 0.27 -1.10 1.13 4.20 -1.64 0.46 115.11 118.35 1rj2 h GLN 676 Ca 0.26 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.95 1rj2 h GLN 676 Cb 0.48 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.20 1rj2 h GLN 676 CO -0.61 0.18 0.00 0.09 -0.67 0.00 0.00 178.83 177.82 1rj2 n ASN 677 N -5.12 2.43 0.00 1.46 5.03 -0.89 -1.40 115.26 116.77 1rj2 n ASN 677 Ca 0.11 -1.74 0.00 0.00 0.87 0.00 0.00 54.58 53.81 1rj2 n ASN 677 Cb 0.36 -0.44 0.00 0.00 -1.02 0.00 0.00 39.78 38.68 1rj2 n ASN 677 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1rj2 n LYS 678 N 0.51 0.00 0.00 3.52 5.02 0.15 -4.94 118.16 122.42 1rj2 n LYS 678 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1rj2 n LYS 678 Cb 0.41 -0.12 0.00 0.00 -0.02 0.00 0.00 35.03 35.31 1rj2 n LYS 678 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1rj2 n LYS 679 N 0.00 0.00 -0.20 1.97 4.81 -0.49 -0.93 118.16 123.32 1rj2 n LYS 679 Ca 0.00 0.91 0.16 0.00 -0.87 0.00 0.00 58.31 58.51 1rj2 n LYS 679 Cb 0.07 -1.49 0.49 0.00 0.02 0.00 0.00 35.03 34.11 1rj2 n LYS 679 CO 0.00 0.00 0.00 -0.91 1.17 0.00 0.00 177.40 177.66 1rj2 h ASN 680 N 0.00 0.43 -0.75 3.14 2.35 -1.90 0.71 115.58 119.56 1rj2 h ASN 680 Ca 0.00 0.03 0.06 0.00 -0.55 0.00 0.00 56.30 55.84 1rj2 h ASN 680 Cb 0.00 -0.05 -0.05 0.00 0.05 0.00 0.00 38.32 38.27 1rj2 h ASN 680 CO 0.00 0.21 0.49 0.40 -1.65 0.00 0.00 177.43 176.88 1rj2 h ILE 681 N 0.45 1.03 0.17 2.81 1.08 -1.41 1.15 117.51 122.80 1rj2 h ILE 681 Ca 0.41 -0.27 -0.25 0.00 -0.39 0.00 0.00 64.86 64.35 1rj2 h ILE 681 Cb 0.91 0.17 0.03 0.00 -3.07 0.00 0.00 36.82 34.86 1rj2 h ILE 681 CO -0.14 0.14 -1.09 0.25 -0.69 0.00 0.00 178.15 176.62 1rj2 h LEU 682 N 0.79 0.66 0.00 1.44 5.85 0.22 -3.30 115.31 120.97 1rj2 h LEU 682 Ca 0.32 -0.92 0.00 0.00 0.84 0.00 0.00 57.88 58.13 1rj2 h LEU 682 Cb 0.25 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.07 1rj2 h LEU 682 CO -0.11 1.53 -1.25 0.49 -0.34 0.00 0.00 178.44 178.75 1rj2 n PHE 683 N -3.95 0.55 -4.96 1.25 3.01 -0.06 -4.87 117.46 108.44 1rj2 n PHE 683 Ca -0.15 0.16 0.00 0.00 1.01 0.00 0.00 57.45 58.47 1rj2 n PHE 683 Cb 0.94 -0.71 0.00 0.00 -0.01 0.00 0.00 39.48 39.69 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 1.25 0.94 1.80 1.37 0.00 0.39 -2.29 105.19 108.66 1rj2 n GLY 684 Ca -0.00 -0.68 -0.16 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.84 5.04 -0.20 1.61 2.04 -1.26 -4.53 115.26 115.12 1rj2 n ASN 685 Ca 0.00 -3.01 0.00 0.00 -0.44 0.00 0.00 54.58 51.14 1rj2 n ASN 685 Cb 0.00 -0.87 0.11 0.00 -2.53 0.00 0.00 39.78 36.49 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 1.04 0.34 -0.37 -3.83 4.05 -1.86 -0.29 114.93 114.01 1rj2 h MET 686 Ca 0.33 -0.02 0.04 0.00 -0.28 0.00 0.00 59.70 59.77 1rj2 h MET 686 Cb 1.44 -0.08 -0.04 0.00 -0.80 0.00 0.00 31.60 32.12 1rj2 h MET 686 CO 0.73 0.22 0.14 1.49 0.23 0.00 0.00 176.91 179.71 1rj2 h GLU 687 N 0.35 0.28 -0.56 0.39 4.81 -1.85 0.34 114.58 118.34 1rj2 h GLU 687 Ca 0.31 -0.02 0.08 0.00 -0.13 0.00 0.00 59.36 59.61 1rj2 h GLU 687 Cb 0.43 -0.06 -0.07 0.00 0.63 0.00 0.00 28.75 29.68 1rj2 h GLU 687 CO -0.35 0.19 0.20 1.49 -0.73 0.00 0.00 179.01 179.81 1rj2 h GLU 688 N 0.29 0.37 -0.70 1.92 4.81 -1.56 -0.14 114.58 119.57 1rj2 h GLU 688 Ca 0.17 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.31 1rj2 h GLU 688 Cb 0.14 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.41 1rj2 h GLU 688 CO -0.17 0.24 0.19 0.82 -0.73 0.00 0.00 179.01 179.37 1rj2 h ILE 689 N 0.38 1.26 0.41 2.32 2.04 -0.30 -2.51 117.51 121.12 1rj2 h ILE 689 Ca 0.27 -0.93 -0.01 0.00 1.00 0.00 0.00 64.86 65.19 1rj2 h ILE 689 Cb 0.32 0.53 -0.00 0.00 -0.74 0.00 0.00 36.82 36.93 1rj2 h ILE 689 CO -0.28 0.36 -0.25 0.22 0.00 0.00 0.00 178.15 178.20 1rj2 h TYR 690 N 1.04 -0.65 -0.86 1.37 3.20 0.11 -2.12 116.97 119.05 1rj2 h TYR 690 Ca 0.22 -0.01 0.12 0.00 3.14 0.00 0.00 58.73 62.20 1rj2 h TYR 690 Cb 0.34 0.23 -0.08 0.00 1.54 0.00 0.00 36.73 38.76 1rj2 h TYR 690 CO 0.03 -0.38 0.49 0.45 -1.64 0.00 0.00 178.16 177.10 1rj2 h HIS 691 N -0.63 0.88 0.33 -3.82 3.86 -1.03 0.14 115.15 114.89 1rj2 h HIS 691 Ca -0.05 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.19 1rj2 h HIS 691 Cb 0.51 -0.26 -0.02 0.00 1.06 0.00 0.00 27.41 28.70 1rj2 h HIS 691 CO -0.09 0.31 -0.31 0.35 0.86 0.00 0.00 177.93 179.04 1rj2 h PHE 692 N 0.76 -0.84 -0.05 2.45 3.57 -1.11 0.63 116.94 122.35 1rj2 h PHE 692 Ca 0.44 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.88 1rj2 h PHE 692 Cb 0.50 0.32 -0.01 0.00 2.79 0.00 0.00 35.95 39.55 1rj2 h PHE 692 CO -0.06 -0.45 -0.28 0.45 -2.23 0.00 0.00 178.31 175.74 1rj2 h HIS 693 N -0.67 0.09 0.20 0.41 3.86 -0.94 0.11 115.15 118.21 1rj2 h HIS 693 Ca -0.02 -0.02 -0.29 0.00 -1.16 0.00 0.00 60.37 58.89 1rj2 h HIS 693 Cb 0.60 -0.02 0.03 0.00 1.06 0.00 0.00 27.41 29.07 1rj2 h HIS 693 CO -0.18 0.36 -1.31 -0.97 0.86 0.00 0.00 177.93 176.69 1rj2 h ASN 694 N 0.08 0.67 0.53 2.45 -0.00 -0.38 -1.64 115.58 117.28 1rj2 h ASN 694 Ca 0.01 -0.93 -0.28 0.00 -0.00 0.00 0.00 56.30 55.10 1rj2 h ASN 694 Cb 0.55 -0.22 -0.05 0.00 -0.00 0.00 0.00 38.32 38.60 1rj2 h ASN 694 CO 0.04 1.62 -1.65 0.03 -0.00 0.00 0.00 177.43 177.47 1rj2 h ARG 695 N -0.06 0.00 0.00 6.67 2.47 0.28 -3.44 114.38 120.30 1rj2 h ARG 695 Ca -0.24 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.48 1rj2 h ARG 695 Cb 1.97 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 30.29 1rj2 h ARG 695 CO 0.21 0.52 0.00 -0.89 0.56 0.00 0.00 179.97 180.37 1rj2 n ILE 696 N -3.06 0.00 -0.15 2.04 -0.00 0.31 -4.78 119.36 113.71 1rj2 n ILE 696 Ca -0.15 0.08 -0.04 0.00 -0.00 0.00 0.00 62.75 62.64 1rj2 n ILE 696 Cb 1.04 -1.06 0.03 0.00 -0.00 0.00 0.00 39.64 39.64 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 -0.44 -0.04 1.39 3.57 -1.51 -1.04 116.94 118.87 1rj2 h PHE 697 Ca 0.00 0.05 0.01 0.00 3.53 0.00 0.00 57.97 61.56 1rj2 h PHE 697 Cb 0.00 0.27 -0.01 0.00 2.79 0.00 0.00 35.95 38.99 1rj2 h PHE 697 CO 0.00 -0.27 -0.04 1.25 -2.23 0.00 0.00 178.31 177.02 1rj2 h LEU 698 N -0.07 -0.11 -0.77 0.59 6.46 -1.54 0.10 115.31 119.97 1rj2 h LEU 698 Ca 0.23 0.02 0.12 0.00 -0.12 0.00 0.00 57.88 58.14 1rj2 h LEU 698 Cb 0.43 0.06 -0.08 0.00 -0.73 0.00 0.00 40.66 40.33 1rj2 h LEU 698 CO -0.54 -0.05 0.38 -0.09 -0.62 0.00 0.00 178.44 177.52 1rj2 h ARG 699 N -0.04 0.58 -0.05 1.25 1.12 -1.66 -0.06 114.38 115.51 1rj2 h ARG 699 Ca 0.03 -0.03 -0.14 0.00 -1.11 0.00 0.00 59.98 58.72 1rj2 h ARG 699 Cb 0.09 -0.13 -0.01 0.00 -0.01 0.00 0.00 29.97 29.90 1rj2 h ARG 699 CO -0.07 0.38 -0.62 0.93 -3.11 0.00 0.00 179.97 177.49 1rj2 h GLU 700 N 0.60 0.19 -0.18 0.20 5.08 -0.62 -2.94 114.58 116.90 1rj2 h GLU 700 Ca 0.40 -0.13 -0.14 0.00 -1.00 0.00 0.00 59.36 58.48 1rj2 h GLU 700 Cb 0.50 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 1rj2 h GLU 700 CO -0.32 0.74 -0.49 -0.07 -1.00 0.00 0.00 179.01 177.88 1rj2 h LEU 701 N 0.14 0.54 -1.30 1.33 3.38 0.35 -2.93 115.31 116.82 1rj2 h LEU 701 Ca -0.01 -0.26 -0.05 0.00 0.09 0.00 0.00 57.88 57.64 1rj2 h LEU 701 Cb 1.12 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 1rj2 h LEU 701 CO 0.09 0.94 -0.26 -0.33 0.09 0.00 0.00 178.44 178.97 1rj2 h GLU 702 N 0.39 0.00 -0.81 1.13 5.08 -0.95 -2.83 114.58 116.59 1rj2 h GLU 702 Ca 0.02 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.43 1rj2 h GLU 702 Cb 1.00 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.20 1rj2 h GLU 702 CO 0.09 0.26 0.53 0.66 -1.00 0.00 0.00 179.01 179.55 1rj2 h SER 703 N 0.00 0.83 0.00 1.42 4.64 -1.34 -1.29 113.55 117.81 1rj2 h SER 703 Ca -0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1rj2 h SER 703 Cb 0.67 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 1rj2 h SER 703 CO 0.03 0.55 0.00 0.00 -0.87 0.00 0.00 176.83 176.55 1rj2 h ILE 705 N 0.00 0.65 0.00 0.00 -0.00 -1.37 0.32 117.51 117.10 1rj2 h ILE 705 Ca 0.00 -0.20 0.00 0.00 -0.00 0.00 0.00 64.86 64.66 1rj2 h ILE 705 Cb 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 36.82 36.85 1rj2 h ILE 705 CO 0.00 0.10 -0.45 0.44 -0.00 0.00 0.00 178.15 178.25 1rj2 h ASP 706 N 0.57 0.00 -2.03 2.19 3.32 -1.84 -3.38 116.42 115.26 1rj2 h ASP 706 Ca 0.56 -0.14 -0.49 0.00 0.02 0.00 0.00 57.03 56.97 1rj2 h ASP 706 Cb 1.13 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 40.28 1rj2 h ASP 706 CO -0.31 0.07 -1.14 0.00 -1.72 0.00 0.00 179.24 176.14 1rj2 h PRO 708 N 3.05 0.00 -0.01 0.00 0.13 -1.40 -1.69 132.00 132.08 1rj2 h PRO 708 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1rj2 h PRO 708 Cb 0.92 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.05 1rj2 h PRO 708 CO 0.53 0.00 0.01 0.93 -0.23 0.00 0.00 178.00 179.24 1rj2 h GLU 709 N 0.00 0.00 -0.62 0.86 3.07 -1.89 -2.22 114.58 113.78 1rj2 h GLU 709 Ca 0.24 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.10 1rj2 h GLU 709 Cb 1.25 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.16 1rj2 h GLU 709 CO -0.00 0.00 0.00 1.47 -1.40 0.00 0.00 179.01 179.08 1rj2 n LEU 710 N -4.45 5.35 0.01 1.33 -0.00 -0.63 -4.31 117.00 114.29 1rj2 n LEU 710 Ca -0.03 -2.71 0.09 0.00 -0.00 0.00 0.00 56.01 53.35 1rj2 n LEU 710 Cb 0.10 -0.67 0.38 0.00 -0.00 0.00 0.00 43.42 43.23 1rj2 n LEU 710 CO 0.33 0.60 0.78 0.55 -0.00 0.00 0.00 177.39 179.66 1rj2 n VAL 711 N 0.59 0.80 0.40 1.47 3.14 -0.84 -2.27 118.33 121.63 1rj2 n VAL 711 Ca 0.26 0.20 0.12 0.00 -2.96 0.00 0.00 64.34 61.96 1rj2 n VAL 711 Cb 1.12 -0.91 0.50 0.00 -1.06 0.00 0.00 33.84 33.49 1rj2 n VAL 711 CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 1rj2 h GLY 712 N 2.97 0.00 0.89 7.55 0.00 -1.82 -3.01 103.07 109.65 1rj2 h GLY 712 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.24 1rj2 h GLY 712 CO 0.00 0.00 -0.22 -0.09 0.00 0.00 0.00 176.54 176.23 1rj2 h ARG 713 N 0.00 0.58 0.45 4.80 9.65 -1.73 -2.94 114.38 125.19 1rj2 h ARG 713 Ca 0.00 -0.29 -0.02 0.00 -1.10 0.00 0.00 59.98 58.57 1rj2 h ARG 713 Cb 0.39 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.96 1rj2 h ARG 713 CO 0.00 0.88 -0.39 0.00 2.80 0.00 0.00 179.97 183.27 1rj2 h PHE 715 N -0.82 0.06 0.85 0.00 -1.00 -1.66 -1.71 116.94 112.66 1rj2 h PHE 715 Ca -0.06 0.05 -0.04 0.00 2.81 0.00 0.00 57.97 60.73 1rj2 h PHE 715 Cb 0.69 0.09 0.01 0.00 3.61 0.00 0.00 35.95 40.35 1rj2 h PHE 715 CO -0.17 -0.19 -0.41 -0.07 -1.61 0.00 0.00 178.31 175.87 1rj2 h LEU 716 N 0.15 -0.96 0.00 1.54 3.38 -1.30 -2.59 115.31 115.53 1rj2 h LEU 716 Ca 0.41 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.41 1rj2 h LEU 716 Cb 0.71 0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.71 1rj2 h LEU 716 CO -0.60 -0.68 0.12 -0.62 0.09 0.00 0.00 178.44 176.75 1rj2 n GLU 717 N -5.08 0.00 -0.04 1.13 1.02 0.23 -1.65 120.64 116.25 1rj2 n GLU 717 Ca -0.14 0.37 0.03 0.00 -0.02 0.00 0.00 57.16 57.40 1rj2 n GLU 717 Cb 0.45 -1.62 0.05 0.00 -0.02 0.00 0.00 31.44 30.29 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 -1.37 2.14 0.32 3.49 5.12 -0.70 -4.72 116.66 120.94 1rj2 n ARG 718 Ca 0.00 -1.78 0.20 0.00 -1.93 0.00 0.00 57.85 54.34 1rj2 n ARG 718 Cb 0.12 -1.12 1.05 0.00 -1.16 0.00 0.00 32.46 31.36 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 -0.14 5.56 2.86 -0.93 0.25 114.93 122.53 1rj2 h MET 719 Ca 0.00 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.53 1rj2 h MET 719 Cb 0.73 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.39 1rj2 h MET 719 CO 0.00 0.00 -0.36 1.49 1.06 0.00 0.00 176.91 179.10 1rj2 h GLU 720 N 0.00 0.49 -0.28 1.72 4.81 -1.84 -3.01 114.58 116.47 1rj2 h GLU 720 Ca 0.01 -0.34 -0.06 0.00 -0.13 0.00 0.00 59.36 58.85 1rj2 h GLU 720 Cb 0.23 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 1rj2 h GLU 720 CO -0.00 0.95 -0.07 0.93 -0.73 0.00 0.00 179.01 180.10 1rj2 h GLU 721 N 0.11 0.45 0.00 1.92 3.07 -0.93 -2.43 114.58 116.77 1rj2 h GLU 721 Ca -0.00 -0.11 0.00 0.00 -0.50 0.00 0.00 59.36 58.75 1rj2 h GLU 721 Cb 0.96 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.81 1rj2 h GLU 721 CO 0.08 0.53 0.00 0.74 -1.40 0.00 0.00 179.01 178.96 1rj2 h PHE 722 N 0.43 0.00 -0.23 4.33 -1.00 -1.02 -2.41 116.94 117.03 1rj2 h PHE 722 Ca 0.09 0.00 0.07 0.00 2.81 0.00 0.00 57.97 60.94 1rj2 h PHE 722 Cb 0.39 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.94 1rj2 h PHE 722 CO 0.01 0.00 0.45 1.96 -1.61 0.00 0.00 178.31 179.12 1rj2 h GLN 723 N 0.00 0.00 -0.19 1.51 4.20 -1.42 0.17 115.11 119.39 1rj2 h GLN 723 Ca 0.00 0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.76 1rj2 h GLN 723 Cb 0.12 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 1rj2 h GLN 723 CO 0.00 0.00 0.15 -0.84 -0.67 0.00 0.00 178.83 177.47 1rj2 h ILE 724 N 0.00 0.77 -0.15 2.54 3.07 -1.66 0.01 117.51 122.08 1rj2 h ILE 724 Ca 0.11 0.00 -0.08 0.00 1.55 0.00 0.00 64.86 66.44 1rj2 h ILE 724 Cb 1.01 0.89 -0.01 0.00 -0.27 0.00 0.00 36.82 38.44 1rj2 h ILE 724 CO -0.00 0.00 -0.27 1.88 -1.05 0.00 0.00 178.15 178.71 1rj2 h TYR 725 N 0.00 0.31 -0.41 0.16 -1.99 -0.91 -0.89 116.97 113.25 1rj2 h TYR 725 Ca 0.09 -0.06 -0.05 0.00 2.00 0.00 0.00 58.73 60.70 1rj2 h TYR 725 Cb 0.38 -0.08 -0.02 0.00 2.00 0.00 0.00 36.73 39.02 1rj2 h TYR 725 CO 0.00 0.53 0.04 0.93 -0.00 0.00 0.00 178.16 179.67 1rj2 h GLU 726 N 0.25 0.69 -0.64 4.88 5.08 -1.14 -1.08 114.58 122.62 1rj2 h GLU 726 Ca 0.04 -0.20 -0.02 0.00 -1.00 0.00 0.00 59.36 58.18 1rj2 h GLU 726 Cb 0.62 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.76 1rj2 h GLU 726 CO 0.04 0.75 0.33 -0.22 -1.00 0.00 0.00 179.01 178.92 1rj2 h LYS 727 N 0.53 0.90 -0.55 2.33 3.64 -1.35 -1.00 116.57 121.08 1rj2 h LYS 727 Ca 0.12 -0.12 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 1rj2 h LYS 727 Cb 0.41 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 32.03 1rj2 h LYS 727 CO 0.01 0.70 0.32 -0.92 -2.27 0.00 0.00 179.45 177.29 1rj2 h TYR 728 N 0.88 0.73 -0.39 1.91 3.20 -0.81 -2.75 116.97 119.74 1rj2 h TYR 728 Ca 0.22 -0.01 -0.11 0.00 3.14 0.00 0.00 58.73 61.97 1rj2 h TYR 728 Cb 0.07 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.10 1rj2 h TYR 728 CO -0.00 0.51 -0.20 0.00 -1.64 0.00 0.00 178.16 176.83 1rj2 h GLN 730 N 0.62 0.60 -0.02 0.00 4.20 -1.00 -1.68 115.11 117.83 1rj2 h GLN 730 Ca 0.09 -0.04 -0.22 0.00 0.06 0.00 0.00 58.65 58.54 1rj2 h GLN 730 Cb 0.75 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.40 1rj2 h GLN 730 CO 0.06 0.40 -0.91 -0.97 -0.67 0.00 0.00 178.83 176.73 1rj2 h ASN 731 N 0.62 0.58 -0.68 1.46 -0.73 -1.43 -3.37 115.58 112.03 1rj2 h ASN 731 Ca 0.42 -0.45 0.13 0.00 1.87 0.00 0.00 56.30 58.27 1rj2 h ASN 731 Cb 0.54 -0.18 -0.12 0.00 0.27 0.00 0.00 38.32 38.83 1rj2 h ASN 731 CO -0.33 1.24 -0.19 1.17 -0.37 0.00 0.00 177.43 178.95 1rj2 n LYS 732 N -3.78 -0.08 -0.06 6.67 3.00 -0.63 -0.47 118.16 122.80 1rj2 n LYS 732 Ca -0.07 1.05 -0.07 0.00 -0.00 0.00 0.00 58.31 59.22 1rj2 n LYS 732 Cb 0.82 -1.57 -0.01 0.00 0.00 0.00 0.00 35.03 34.26 1rj2 n LYS 732 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.40 176.40 1rj2 h PRO 733 N 0.00 0.01 -0.67 1.64 0.13 -1.73 0.09 132.00 131.47 1rj2 h PRO 733 Ca 0.31 -0.00 0.03 0.00 -0.87 0.00 0.00 66.00 65.46 1rj2 h PRO 733 Cb 0.47 -0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.56 1rj2 h PRO 733 CO -0.69 0.01 0.42 -0.09 -0.23 0.00 0.00 178.00 177.42 1rj2 h ARG 734 N 0.01 0.80 -0.25 0.86 2.43 -1.04 -0.93 114.38 116.26 1rj2 h ARG 734 Ca 0.12 -0.05 0.06 0.00 -0.81 0.00 0.00 59.98 59.31 1rj2 h ARG 734 Cb 0.19 -0.18 -0.07 0.00 -0.42 0.00 0.00 29.97 29.48 1rj2 h ARG 734 CO -0.26 0.53 -0.28 1.03 -1.51 0.00 0.00 179.97 179.48 1rj2 h SER 735 N 0.82 -0.89 -0.88 -3.80 0.87 -0.73 0.16 113.55 109.10 1rj2 h SER 735 Ca 0.27 0.15 0.15 0.00 -1.23 0.00 0.00 61.79 61.13 1rj2 h SER 735 Cb 0.02 0.41 -0.07 0.00 -0.44 0.00 0.00 62.40 62.32 1rj2 h SER 735 CO -0.11 -0.31 0.57 -0.33 -0.53 0.00 0.00 176.83 176.12 1rj2 h GLU 736 N -0.28 0.63 -0.03 2.24 5.08 -0.02 0.42 114.58 122.62 1rj2 h GLU 736 Ca 0.14 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1rj2 h GLU 736 Cb 0.50 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.60 1rj2 h GLU 736 CO -0.41 0.42 0.01 0.77 -1.00 0.00 0.00 179.01 178.79 1rj2 h SER 737 N 0.65 0.04 -0.38 1.42 0.02 0.26 -0.49 113.55 115.08 1rj2 h SER 737 Ca 0.44 -0.20 -0.00 0.00 -0.84 0.00 0.00 61.79 61.19 1rj2 h SER 737 Cb 0.75 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 63.26 1rj2 h SER 737 CO -0.20 0.23 0.23 0.25 -1.14 0.00 0.00 176.83 176.21 1rj2 h LEU 738 N -0.15 0.45 -1.08 5.07 5.85 0.50 -2.22 115.31 123.74 1rj2 h LEU 738 Ca 0.01 -0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.64 1rj2 h LEU 738 Cb 0.20 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 1rj2 h LEU 738 CO -0.00 0.36 0.15 -0.25 -0.34 0.00 0.00 178.44 178.36 1rj2 h TRP 739 N 0.50 0.82 -0.17 1.25 2.91 -0.16 -1.68 115.95 119.42 1rj2 h TRP 739 Ca 0.14 -0.07 -0.04 0.00 1.13 0.00 0.00 58.89 60.05 1rj2 h TRP 739 Cb -0.01 -0.24 -0.01 0.00 -0.51 0.00 0.00 29.16 28.39 1rj2 h TRP 739 CO -0.04 0.68 -0.08 -0.09 -1.03 0.00 0.00 178.44 177.88 1rj2 h ARG 740 N 0.78 0.27 -0.01 2.65 2.43 -0.75 0.13 114.38 119.88 1rj2 h ARG 740 Ca 0.18 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 1rj2 h ARG 740 Cb 0.26 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 1rj2 h ARG 740 CO -0.01 0.36 -0.17 0.94 -1.51 0.00 0.00 179.97 179.59 1rj2 n GLN 741 N -4.31 0.93 -0.23 0.20 -0.06 -0.67 -4.40 117.38 108.84 1rj2 n GLN 741 Ca -0.00 -0.48 0.00 0.00 -2.00 0.00 0.00 57.00 54.52 1rj2 n GLN 741 Cb 0.24 -1.49 0.00 0.00 -4.06 0.00 0.00 30.24 24.93 1rj2 n GLN 741 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1rj2 h SER 743 N 0.00 0.00 1.46 0.00 4.64 -0.95 -1.32 113.55 117.38 1rj2 h SER 743 Ca 0.00 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.24 1rj2 h SER 743 Cb 1.08 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.15 1rj2 h SER 743 CO 0.00 0.00 -0.40 -2.24 -0.87 0.00 0.00 176.83 173.32 1rj2 h ASP 744 N 0.00 0.00 -0.60 4.97 2.03 -1.92 -3.45 116.42 117.45 1rj2 h ASP 744 Ca 0.08 0.00 -0.46 0.00 -0.73 0.00 0.00 57.03 55.92 1rj2 h ASP 744 Cb 0.41 0.00 0.04 0.00 -0.83 0.00 0.00 39.33 38.95 1rj2 h ASP 744 CO -0.00 0.40 -0.06 0.00 -1.03 0.00 0.00 179.24 178.55 1rj2 h PRO 746 N 1.48 0.30 -0.84 0.00 0.11 -1.90 -2.73 132.00 128.42 1rj2 h PRO 746 Ca -0.27 -0.02 0.10 0.00 0.11 0.00 0.00 66.00 65.92 1rj2 h PRO 746 Cb 0.86 -0.07 -0.12 0.00 0.11 0.00 0.00 31.00 31.78 1rj2 h PRO 746 CO 0.38 0.20 -0.51 0.35 -0.21 0.00 0.00 178.00 178.21 1rj2 h PHE 747 N 0.31 -1.56 -0.16 0.65 3.57 -1.88 -0.41 116.94 117.45 1rj2 h PHE 747 Ca 0.40 0.11 0.00 0.00 3.53 0.00 0.00 57.97 62.01 1rj2 h PHE 747 Cb 0.67 0.80 -0.01 0.00 2.79 0.00 0.00 35.95 40.19 1rj2 h PHE 747 CO -0.24 -0.40 0.10 0.74 -2.23 0.00 0.00 178.31 176.28 1rj2 h PHE 748 N -0.09 0.21 -0.83 0.41 -1.00 -1.83 -1.81 116.94 112.00 1rj2 h PHE 748 Ca 0.20 0.00 0.19 0.00 2.81 0.00 0.00 57.97 61.17 1rj2 h PHE 748 Cb 0.51 -0.07 -0.12 0.00 3.61 0.00 0.00 35.95 39.88 1rj2 h PHE 748 CO -0.89 0.15 0.30 1.96 -1.61 0.00 0.00 178.31 178.21 1rj2 h GLN 749 N 0.20 0.35 0.65 1.51 4.20 -1.19 0.02 115.11 120.85 1rj2 h GLN 749 Ca 0.06 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.72 1rj2 h GLN 749 Cb -0.00 -0.08 0.01 0.00 0.30 0.00 0.00 27.48 27.70 1rj2 h GLN 749 CO -0.01 0.23 -0.31 1.49 -0.67 0.00 0.00 178.83 179.55 1rj2 h GLU 750 N 0.36 -0.84 -1.05 1.46 4.57 -0.66 -2.37 114.58 116.04 1rj2 h GLU 750 Ca 0.49 0.06 0.27 0.00 -1.18 0.00 0.00 59.36 59.00 1rj2 h GLU 750 Cb 0.88 0.19 -0.10 0.00 -0.16 0.00 0.00 28.75 29.56 1rj2 h GLU 750 CO -0.51 -0.52 0.66 0.00 -1.18 0.00 0.00 179.01 177.46 1rj2 h GLN 752 N 0.42 0.87 0.70 0.00 4.15 -0.85 -1.50 115.11 118.88 1rj2 h GLN 752 Ca 0.62 -0.37 -0.03 0.00 0.77 0.00 0.00 58.65 59.64 1rj2 h GLN 752 Cb 1.50 -0.03 0.01 0.00 0.21 0.00 0.00 27.48 29.17 1rj2 h GLN 752 CO -0.34 1.01 -0.33 0.87 -1.93 0.00 0.00 178.83 178.10 1rj2 h LYS 753 N 0.75 -0.90 -0.99 1.69 1.57 -0.08 0.17 116.57 118.78 1rj2 h LYS 753 Ca 0.10 0.06 0.34 0.00 -1.87 0.00 0.00 60.65 59.27 1rj2 h LYS 753 Cb 0.78 0.20 -0.16 0.00 0.08 0.00 0.00 32.23 33.14 1rj2 h LYS 753 CO 0.06 -0.60 0.50 0.87 -0.57 0.00 0.00 179.45 179.72 1rj2 h LYS 754 N -0.94 0.21 0.00 3.15 1.57 -1.32 1.48 116.57 120.72 1rj2 h LYS 754 Ca -0.10 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1rj2 h LYS 754 Cb 0.72 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.98 1rj2 h LYS 754 CO 0.16 0.14 0.00 -0.07 -0.57 0.00 0.00 179.45 179.11 1rj2 h LEU 755 N 0.22 0.00 0.96 2.94 3.38 -0.97 -3.47 115.31 118.36 1rj2 h LEU 755 Ca 0.74 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 58.36 1rj2 h LEU 755 Cb 1.74 0.00 0.05 0.00 0.09 0.00 0.00 40.66 42.54 1rj2 h LEU 755 CO -0.67 0.00 -0.51 -0.67 0.09 0.00 0.00 178.44 176.68 1rj2 n ASP 756 N -3.00 -5.46 -4.70 -0.43 4.64 0.51 -4.95 116.55 103.15 1rj2 n ASP 756 Ca 0.04 -0.22 -0.41 0.00 -1.38 0.00 0.00 54.79 52.82 1rj2 n ASP 756 Cb 0.50 -4.32 -0.04 0.00 -1.04 0.00 0.00 41.12 36.22 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 -3.07 3.58 0.28 -0.67 3.76 -0.94 -4.93 115.29 113.30 1rj2 s HIS 757 Ca 0.23 1.43 0.05 0.00 -0.15 0.00 0.00 55.06 56.62 1rj2 s HIS 757 Cb -0.10 -2.97 0.41 0.00 1.11 0.00 0.00 32.58 31.03 1rj2 s HIS 757 CO 0.29 -0.02 1.69 -0.22 -0.85 0.00 0.00 174.74 175.63 1rj2 h LYS 758 N 6.89 0.32 -6.22 1.40 3.64 -1.92 -3.45 116.57 117.22 1rj2 h LYS 758 Ca -0.39 -0.15 -0.48 0.00 -1.27 0.00 0.00 60.65 58.36 1rj2 h LYS 758 Cb 1.19 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.98 1rj2 h LYS 758 CO 0.77 0.66 -0.44 -0.51 -2.27 0.00 0.00 179.45 177.67 1rj2 s LEU 759 N -8.34 3.75 0.26 5.20 1.43 -1.26 -5.14 118.68 114.58 1rj2 s LEU 759 Ca -0.05 -0.37 0.06 0.00 -1.03 0.00 0.00 54.13 52.74 1rj2 s LEU 759 Cb 0.13 -2.37 -0.03 0.00 0.03 0.00 0.00 46.19 43.95 1rj2 s LEU 759 CO 0.78 -0.30 0.36 -0.94 0.23 0.00 0.00 176.35 176.48 1rj2 s SER 760 N -4.00 6.16 0.40 2.29 1.04 -1.26 -5.01 113.70 113.31 1rj2 s SER 760 Ca 0.40 -0.02 0.29 0.00 0.48 0.00 0.00 55.95 57.10 1rj2 s SER 760 Cb -0.07 -1.68 1.35 0.00 0.10 0.00 0.00 66.02 65.72 1rj2 s SER 760 CO 0.27 -0.14 1.42 -0.11 0.98 0.00 0.00 173.24 175.66 1rj2 n LEU 761 N -1.43 0.20 0.08 2.42 7.94 -1.26 -1.38 117.00 123.57 1rj2 n LEU 761 Ca -0.07 1.27 0.02 0.00 -1.11 0.00 0.00 56.01 56.13 1rj2 n LEU 761 Cb 0.57 -0.63 0.39 0.00 0.53 0.00 0.00 43.42 44.29 1rj2 n LEU 761 CO 0.44 -1.39 0.97 -2.24 -1.11 0.00 0.00 177.39 174.06 1rj2 h ASP 762 N 0.00 0.32 0.90 1.96 2.03 -1.99 -1.97 116.42 117.68 1rj2 h ASP 762 Ca 0.80 -0.05 -0.03 0.00 -0.73 0.00 0.00 57.03 57.02 1rj2 h ASP 762 Cb 2.55 -0.08 -0.00 0.00 -0.83 0.00 0.00 39.33 40.96 1rj2 h ASP 762 CO -0.44 0.39 -0.14 0.77 -1.03 0.00 0.00 179.24 178.79 1rj2 h SER 763 N 0.34 0.00 0.23 4.15 4.64 -1.63 -2.99 113.55 118.30 1rj2 h SER 763 Ca 0.08 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 61.05 1rj2 h SER 763 Cb 0.25 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.35 1rj2 h SER 763 CO 0.01 0.14 -1.72 1.88 -0.87 0.00 0.00 176.83 176.27 1rj2 h TYR 764 N 0.00 0.69 0.00 4.77 -1.99 -1.55 -3.24 116.97 115.65 1rj2 h TYR 764 Ca -0.00 -0.50 0.00 0.00 2.00 0.00 0.00 58.73 60.22 1rj2 h TYR 764 Cb 0.64 -0.03 0.00 0.00 2.00 0.00 0.00 36.73 39.34 1rj2 h TYR 764 CO 0.00 1.64 0.11 -0.07 -0.00 0.00 0.00 178.16 179.84 1rj2 h LEU 765 N 0.10 0.00 0.00 3.88 3.38 -1.24 0.35 115.31 121.79 1rj2 h LEU 765 Ca -0.33 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.62 1rj2 h LEU 765 Cb 2.09 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.84 1rj2 h LEU 765 CO 0.18 0.00 -0.80 0.25 0.09 0.00 0.00 178.44 178.16 1rj2 h LEU 766 N 0.00 0.00 -0.81 1.67 5.85 -1.55 -3.39 115.31 117.07 1rj2 h LEU 766 Ca 0.00 0.00 0.19 0.00 0.84 0.00 0.00 57.88 58.91 1rj2 h LEU 766 Cb 0.22 0.00 -0.12 0.00 0.37 0.00 0.00 40.66 41.13 1rj2 h LEU 766 CO 0.00 0.08 0.25 0.11 -0.34 0.00 0.00 178.44 178.54 1rj2 h LYS 767 N 0.00 0.30 -0.45 1.25 1.79 -0.37 -2.36 116.57 116.73 1rj2 h LYS 767 Ca -0.02 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 1rj2 h LYS 767 Cb 1.07 -0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 31.64 1rj2 h LYS 767 CO 0.01 0.20 0.28 -1.35 -1.08 0.00 0.00 179.45 177.51 1rj2 h PRO 768 N 0.31 0.60 -0.38 3.15 0.11 -1.76 -1.66 132.00 132.36 1rj2 h PRO 768 Ca 0.48 -0.05 0.07 0.00 0.11 0.00 0.00 66.00 66.62 1rj2 h PRO 768 Cb 0.88 -0.13 -0.07 0.00 0.11 0.00 0.00 31.00 31.79 1rj2 h PRO 768 CO -0.54 0.42 -0.05 0.28 -0.21 0.00 0.00 178.00 177.90 1rj2 h VAL 769 N 0.60 0.67 -0.32 3.15 2.07 -1.71 -2.79 116.25 117.92 1rj2 h VAL 769 Ca 0.16 -0.02 -0.05 0.00 0.82 0.00 0.00 66.70 67.61 1rj2 h VAL 769 Cb -0.04 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 1rj2 h VAL 769 CO -0.03 0.01 -0.01 1.56 0.02 0.00 0.00 177.57 179.12 1rj2 h GLN 770 N 0.05 0.57 -1.10 1.57 4.20 -1.40 -3.19 115.11 115.81 1rj2 h GLN 770 Ca 0.19 -0.18 0.34 0.00 0.06 0.00 0.00 58.65 59.06 1rj2 h GLN 770 Cb 0.27 -0.05 -0.13 0.00 0.30 0.00 0.00 27.48 27.87 1rj2 h GLN 770 CO -0.35 0.70 0.67 -0.09 -0.67 0.00 0.00 178.83 179.09 1rj2 h ARG 771 N 0.37 0.26 -0.29 1.46 9.65 -1.02 0.21 114.38 125.02 1rj2 h ARG 771 Ca 0.09 -0.02 -0.08 0.00 -1.10 0.00 0.00 59.98 58.87 1rj2 h ARG 771 Cb 0.45 -0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 28.96 1rj2 h ARG 771 CO 0.02 0.17 -0.17 0.97 2.80 0.00 0.00 179.97 183.76 1rj2 h ILE 772 N 0.27 1.24 0.08 1.20 6.09 -1.55 -2.07 117.51 122.77 1rj2 h ILE 772 Ca 0.73 -1.12 -0.29 0.00 -1.37 0.00 0.00 64.86 62.82 1rj2 h ILE 772 Cb 1.90 1.21 0.03 0.00 0.47 0.00 0.00 36.82 40.42 1rj2 h ILE 772 CO -0.49 0.36 -1.18 0.74 -3.07 0.00 0.00 178.15 174.51 1rj2 h THR 773 N 0.46 1.29 -0.62 2.19 2.02 -0.77 -2.82 112.91 114.67 1rj2 h THR 773 Ca 0.08 -2.42 0.10 0.00 0.77 0.00 0.00 66.41 64.94 1rj2 h THR 773 Cb 0.56 2.60 -0.07 0.00 -1.74 0.00 0.00 68.15 69.50 1rj2 h THR 773 CO 0.04 0.74 0.23 0.50 0.37 0.00 0.00 175.52 177.39 1rj2 h LYS 774 N 0.30 0.39 -0.11 6.66 3.11 -1.09 0.24 116.57 126.07 1rj2 h LYS 774 Ca -0.17 -0.02 0.04 0.00 -2.81 0.00 0.00 60.65 57.70 1rj2 h LYS 774 Cb 1.84 -0.09 -0.06 0.00 -1.00 0.00 0.00 32.23 32.93 1rj2 h LYS 774 CO 0.22 0.26 -0.26 1.88 -2.81 0.00 0.00 179.45 178.75 1rj2 h TYR 775 N 0.40 -0.69 -0.10 1.91 0.99 -1.37 0.52 116.97 118.64 1rj2 h TYR 775 Ca 0.31 0.03 0.04 0.00 2.00 0.00 0.00 58.73 61.12 1rj2 h TYR 775 Cb 0.40 0.32 -0.06 0.00 1.00 0.00 0.00 36.73 38.39 1rj2 h TYR 775 CO -0.17 -0.34 -0.29 0.37 -0.00 0.00 0.00 178.16 177.72 1rj2 h GLN 776 N -0.34 -0.37 -0.31 4.88 -0.00 -0.69 0.87 115.11 119.16 1rj2 h GLN 776 Ca 0.09 0.03 0.03 0.00 -0.00 0.00 0.00 58.65 58.80 1rj2 h GLN 776 Cb 0.48 0.08 -0.03 0.00 0.00 0.00 0.00 27.48 28.01 1rj2 h GLN 776 CO -0.30 -0.25 0.11 -0.07 0.00 0.00 0.00 178.83 178.32 1rj2 h LEU 777 N -0.38 0.13 -0.33 -2.39 3.38 -0.02 0.15 115.31 115.85 1rj2 h LEU 777 Ca 0.09 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 1rj2 h LEU 777 Cb 0.52 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1rj2 h LEU 777 CO -0.31 0.11 0.14 -0.07 0.09 0.00 0.00 178.44 178.40 1rj2 h LEU 778 N 0.25 0.44 -1.07 1.67 3.38 0.75 -0.86 115.31 119.87 1rj2 h LEU 778 Ca 0.14 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1rj2 h LEU 778 Cb 0.10 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 1rj2 h LEU 778 CO -0.13 0.47 0.47 -0.07 0.09 0.00 0.00 178.44 179.26 1rj2 h LEU 779 N 0.39 0.98 -1.22 1.67 3.38 0.11 0.37 115.31 120.98 1rj2 h LEU 779 Ca 0.11 -0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.03 1rj2 h LEU 779 Cb 0.15 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.61 1rj2 h LEU 779 CO -0.01 0.77 0.53 0.50 0.09 0.00 0.00 178.44 180.32 1rj2 h LYS 780 N 1.12 1.03 -0.21 1.13 3.64 -0.24 -2.25 116.57 120.78 1rj2 h LYS 780 Ca 0.29 -0.06 -0.20 0.00 -1.27 0.00 0.00 60.65 59.40 1rj2 h LYS 780 Cb -0.01 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 31.58 1rj2 h LYS 780 CO -0.05 0.68 -0.67 1.49 -2.27 0.00 0.00 179.45 178.63 1rj2 h GLU 781 N 1.06 0.81 0.25 1.90 4.57 0.24 -2.90 114.58 120.51 1rj2 h GLU 781 Ca 0.30 -0.59 -0.01 0.00 -1.18 0.00 0.00 59.36 57.87 1rj2 h GLU 781 Cb -0.10 0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1rj2 h GLU 781 CO -0.07 1.21 -0.12 1.98 -1.18 0.00 0.00 179.01 180.83 1rj2 h MET 782 N 0.59 -0.32 -0.83 1.92 4.05 -0.58 -2.65 114.93 117.11 1rj2 h MET 782 Ca -0.02 0.02 0.12 0.00 -0.28 0.00 0.00 59.70 59.54 1rj2 h MET 782 Cb 1.29 0.07 -0.08 0.00 -0.80 0.00 0.00 31.60 32.08 1rj2 h MET 782 CO 0.14 -0.21 0.45 1.25 0.23 0.00 0.00 176.91 178.77 1rj2 h LEU 783 N -0.34 0.60 -1.01 3.39 5.85 -1.48 -1.40 115.31 120.92 1rj2 h LEU 783 Ca -0.03 0.07 0.29 0.00 0.84 0.00 0.00 57.88 59.04 1rj2 h LEU 783 Cb 0.26 -0.04 -0.14 0.00 0.37 0.00 0.00 40.66 41.11 1rj2 h LEU 783 CO 0.06 0.31 0.58 0.50 -0.34 0.00 0.00 178.44 179.55 1rj2 h LYS 784 N 0.71 0.42 -0.60 1.25 3.64 -1.26 0.49 116.57 121.22 1rj2 h LYS 784 Ca 0.42 -0.03 -0.24 0.00 -1.27 0.00 0.00 60.65 59.53 1rj2 h LYS 784 Cb 0.48 -0.09 -0.14 0.00 -0.41 0.00 0.00 32.23 32.06 1rj2 h LYS 784 CO -0.30 0.28 0.21 0.66 -2.27 0.00 0.00 179.45 178.03 1rj2 n TYR 785 N -4.98 1.94 -1.15 1.91 0.53 -0.55 -4.47 117.16 110.39 1rj2 n TYR 785 Ca 0.30 -1.42 0.00 0.00 -1.02 0.00 0.00 57.90 55.75 1rj2 n TYR 785 Cb 0.89 -0.63 0.00 0.00 -1.03 0.00 0.00 39.34 38.57 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 -0.74 0.00 -0.23 7.72 7.64 0.16 -4.73 113.62 123.45 1rj2 n SER 786 Ca 0.40 -1.00 0.32 0.00 1.01 0.00 0.00 58.87 59.59 1rj2 n SER 786 Cb 1.27 0.00 0.71 0.00 -1.01 0.00 0.00 64.21 65.18 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 0.00 0.00 -0.01 1.43 1.79 -1.60 0.99 116.57 119.17 1rj2 h LYS 787 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1rj2 h LYS 787 Cb 0.98 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.63 1rj2 h LYS 787 CO 0.00 0.00 -0.49 0.72 -1.08 0.00 0.00 179.45 178.60 1rj2 n HIS 788 N -3.90 0.00 -2.15 -1.35 8.25 -1.26 -4.90 115.22 109.91 1rj2 n HIS 788 Ca 0.22 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.38 1rj2 n HIS 788 Cb 1.18 0.00 0.01 0.00 1.12 0.00 0.00 29.99 32.30 1rj2 n HIS 788 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1rj2 s GLU 790 N -5.03 4.24 0.00 0.00 2.02 -1.26 -2.48 118.70 116.19 1rj2 s GLU 790 Ca 0.52 1.56 0.00 0.00 0.02 0.00 0.00 54.97 57.07 1rj2 s GLU 790 Cb -0.11 -3.72 0.00 0.00 0.10 0.00 0.00 34.13 30.40 1rj2 s GLU 790 CO 0.51 -0.68 0.00 0.41 0.02 0.00 0.00 175.26 175.52 1rj2 n GLY 791 N 3.51 1.71 0.40 -1.39 0.00 -1.26 -4.46 105.19 103.70 1rj2 n GLY 791 Ca 0.13 0.00 0.27 0.00 0.00 0.00 0.00 46.02 46.42 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 2.28 0.27 4.61 0.00 -1.70 0.42 119.26 125.15 1rj2 h ALA 792 Ca 0.00 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1rj2 h ALA 792 Cb 0.00 0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1rj2 h ALA 792 CO 0.00 -0.82 -0.13 1.49 0.00 0.00 0.00 179.25 179.79 1rj2 h GLU 793 N 0.29 -0.35 -0.94 0.00 4.22 -1.92 -2.06 114.58 113.82 1rj2 h GLU 793 Ca 0.70 0.02 0.02 0.00 0.08 0.00 0.00 59.36 60.19 1rj2 h GLU 793 Cb 1.86 0.08 -0.05 0.00 0.50 0.00 0.00 28.75 31.14 1rj2 h GLU 793 CO -0.43 -0.23 0.62 -0.44 -2.18 0.00 0.00 179.01 176.35 1rj2 h ASP 794 N -0.38 1.06 0.44 1.04 5.19 -0.59 -2.26 116.42 120.92 1rj2 h ASP 794 Ca -0.04 -0.02 -0.01 0.00 -0.62 0.00 0.00 57.03 56.34 1rj2 h ASP 794 Cb 0.29 -0.26 -0.01 0.00 0.18 0.00 0.00 39.33 39.53 1rj2 h ASP 794 CO 0.06 0.75 -0.33 -0.07 -3.12 0.00 0.00 179.24 176.53 1rj2 h LEU 795 N 1.24 -0.87 -0.24 1.55 3.38 -0.91 0.21 115.31 119.67 1rj2 h LEU 795 Ca 0.35 0.06 0.06 0.00 0.09 0.00 0.00 57.88 58.45 1rj2 h LEU 795 Cb -0.10 0.28 -0.07 0.00 0.09 0.00 0.00 40.66 40.85 1rj2 h LEU 795 CO -0.09 -0.50 -0.32 -0.61 0.09 0.00 0.00 178.44 177.01 1rj2 h GLN 796 N -0.76 -0.33 0.00 1.13 5.75 -1.23 0.24 115.11 119.92 1rj2 h GLN 796 Ca -0.04 0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.48 1rj2 h GLN 796 Cb 0.65 0.07 0.00 0.00 1.07 0.00 0.00 27.48 29.28 1rj2 h GLN 796 CO 0.00 -0.22 0.00 0.39 -2.65 0.00 0.00 178.83 176.35 1rj2 n GLU 797 N -5.41 0.00 -0.30 1.69 -0.58 -0.86 -0.84 120.64 114.33 1rj2 n GLU 797 Ca -0.02 0.66 0.08 0.00 -0.42 0.00 0.00 57.16 57.47 1rj2 n GLU 797 Cb 0.33 -1.34 0.20 0.00 -0.57 0.00 0.00 31.44 30.05 1rj2 n GLU 797 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1rj2 h ALA 798 N -1.56 0.88 -0.32 0.62 0.00 -0.39 0.24 119.26 118.73 1rj2 h ALA 798 Ca 0.00 0.30 0.05 0.00 0.00 0.00 0.00 54.91 55.26 1rj2 h ALA 798 Cb 0.00 0.54 -0.05 0.00 0.00 0.00 0.00 17.79 18.28 1rj2 h ALA 798 CO 0.00 -0.47 0.03 1.25 0.00 0.00 0.00 179.25 180.06 1rj2 h LEU 799 N 0.05 -0.07 -0.63 0.00 5.85 0.02 -0.24 115.31 120.29 1rj2 h LEU 799 Ca 0.49 0.06 -0.07 0.00 0.84 0.00 0.00 57.88 59.20 1rj2 h LEU 799 Cb 0.89 0.10 -0.03 0.00 0.37 0.00 0.00 40.66 42.00 1rj2 h LEU 799 CO -0.82 -0.00 0.13 -1.28 -0.34 0.00 0.00 178.44 176.13 1rj2 h SER 800 N 0.12 0.98 -0.49 1.25 0.87 0.14 -1.79 113.55 114.64 1rj2 h SER 800 Ca 0.15 -0.25 0.09 0.00 -1.23 0.00 0.00 61.79 60.55 1rj2 h SER 800 Cb 0.19 -0.26 -0.07 0.00 -0.44 0.00 0.00 62.40 61.82 1rj2 h SER 800 CO -0.23 0.98 0.09 0.28 -0.53 0.00 0.00 176.83 177.41 1rj2 h SER 801 N 0.94 -0.03 -0.60 6.23 0.02 -0.21 0.31 113.55 120.21 1rj2 h SER 801 Ca 0.19 0.09 -0.04 0.00 -0.84 0.00 0.00 61.79 61.19 1rj2 h SER 801 Cb 0.40 0.13 -0.03 0.00 0.14 0.00 0.00 62.40 63.04 1rj2 h SER 801 CO 0.01 0.02 0.23 0.40 -1.14 0.00 0.00 176.83 176.34 1rj2 h ILE 802 N 0.22 1.23 -0.73 3.27 1.08 -0.75 0.09 117.51 121.93 1rj2 h ILE 802 Ca 0.25 -0.76 -0.03 0.00 -0.39 0.00 0.00 64.86 63.93 1rj2 h ILE 802 Cb 0.34 0.50 -0.03 0.00 -3.07 0.00 0.00 36.82 34.56 1rj2 h ILE 802 CO -0.34 0.30 0.34 -0.07 -0.69 0.00 0.00 178.15 177.70 1rj2 h LEU 803 N 0.93 0.96 0.15 1.44 3.38 -0.26 -0.79 115.31 121.12 1rj2 h LEU 803 Ca 0.21 -0.14 0.01 0.00 0.09 0.00 0.00 57.88 58.06 1rj2 h LEU 803 Cb 0.23 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 1rj2 h LEU 803 CO -0.01 0.83 -0.27 1.23 0.09 0.00 0.00 178.44 180.31 1rj2 h GLY 804 N 1.02 -0.53 0.22 0.83 0.00 0.12 0.20 103.07 104.94 1rj2 h GLY 804 Ca 0.25 0.32 0.15 0.00 0.00 0.00 0.00 47.33 48.04 1rj2 h GLY 804 CO -0.03 -0.23 0.44 -2.22 0.00 0.00 0.00 176.54 174.50 1rj2 h ILE 805 N -0.50 0.73 -0.24 2.60 1.08 -0.66 0.37 117.51 120.88 1rj2 h ILE 805 Ca 0.02 -0.22 -0.01 0.00 -0.39 0.00 0.00 64.86 64.27 1rj2 h ILE 805 Cb 0.51 0.05 -0.01 0.00 -3.07 0.00 0.00 36.82 34.30 1rj2 h ILE 805 CO -0.13 0.11 0.12 -0.07 -0.69 0.00 0.00 178.15 177.49 1rj2 h LEU 806 N 0.63 0.31 0.33 1.44 3.38 0.01 -1.73 115.31 119.67 1rj2 h LEU 806 Ca 0.47 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.31 1rj2 h LEU 806 Cb 0.66 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1rj2 h LEU 806 CO -0.36 0.34 -0.16 0.50 0.09 0.00 0.00 178.44 178.85 1rj2 h LYS 807 N 0.26 -0.42 -0.90 1.13 3.64 0.91 0.11 116.57 121.29 1rj2 h LYS 807 Ca 0.08 0.03 0.16 0.00 -1.27 0.00 0.00 60.65 59.65 1rj2 h LYS 807 Cb 0.11 0.10 -0.16 0.00 -0.41 0.00 0.00 32.23 31.86 1rj2 h LYS 807 CO -0.01 -0.22 -0.32 0.00 -2.27 0.00 0.00 179.45 176.64 1rj2 h ALA 808 N 0.09 0.31 -0.38 5.00 0.00 -0.24 0.27 119.26 124.33 1rj2 h ALA 808 Ca -0.05 0.29 -0.14 0.00 0.00 0.00 0.00 54.91 55.02 1rj2 h ALA 808 Cb 0.41 0.85 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1rj2 h ALA 808 CO 0.07 -0.54 -0.31 0.28 0.00 0.00 0.00 179.25 178.76 1rj2 h VAL 809 N -0.03 1.28 -0.76 0.00 2.07 -1.18 0.24 116.25 117.87 1rj2 h VAL 809 Ca 0.37 -1.46 -0.02 0.00 0.82 0.00 0.00 66.70 66.41 1rj2 h VAL 809 Cb 0.62 1.31 -0.04 0.00 -1.52 0.00 0.00 31.29 31.67 1rj2 h VAL 809 CO -0.92 0.49 0.41 -1.13 0.02 0.00 0.00 177.57 176.43 1rj2 h ASN 810 N 0.69 0.94 0.06 0.57 -0.00 0.15 -2.35 115.58 115.65 1rj2 h ASN 810 Ca 0.08 -0.08 -0.00 0.00 -0.00 0.00 0.00 56.30 56.29 1rj2 h ASN 810 Cb 0.85 -0.24 0.00 0.00 -0.00 0.00 0.00 38.32 38.93 1rj2 h ASN 810 CO 0.07 0.76 -0.03 0.44 -0.00 0.00 0.00 177.43 178.68 1rj2 h ASP 811 N 1.06 -0.07 -0.98 1.15 3.32 -0.57 -3.32 116.42 117.01 1rj2 h ASP 811 Ca 0.27 -0.47 0.34 0.00 0.02 0.00 0.00 57.03 57.19 1rj2 h ASP 811 Cb 0.03 0.02 -0.18 0.00 0.22 0.00 0.00 39.33 39.42 1rj2 h ASP 811 CO -0.04 0.62 0.27 -1.54 -1.72 0.00 0.00 179.24 176.83 1rj2 n SER 812 N -4.78 0.11 0.13 6.45 3.41 0.06 0.13 113.62 119.14 1rj2 n SER 812 Ca -0.06 1.65 0.17 0.00 -0.26 0.00 0.00 58.87 60.36 1rj2 n SER 812 Cb 0.26 -0.70 0.74 0.00 -0.26 0.00 0.00 64.21 64.25 1rj2 n SER 812 CO 0.00 0.00 0.00 0.24 -0.16 0.00 0.00 175.04 175.12 1rj2 h MET 813 N 0.00 0.00 -0.26 4.33 2.86 -1.52 -0.75 114.93 119.59 1rj2 h MET 813 Ca 0.71 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.35 1rj2 h MET 813 Cb 1.71 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.37 1rj2 h MET 813 CO -0.84 0.00 0.00 0.72 1.06 0.00 0.00 176.91 177.85 1rj2 n HIS 814 N -4.15 0.00 0.00 -0.22 -0.00 0.36 -3.27 115.22 107.94 1rj2 n HIS 814 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.76 1rj2 n HIS 814 Cb 0.41 -0.03 0.00 0.00 -0.00 0.00 0.00 29.99 30.38 1rj2 n HIS 814 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1rj2 n LEU 815 N -0.24 1.08 0.00 2.41 4.32 -0.30 -4.79 117.00 119.48 1rj2 n LEU 815 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 1rj2 n LEU 815 Cb 0.06 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.86 1rj2 n LEU 815 CO 0.00 0.13 0.00 -0.38 -1.22 0.00 0.00 177.39 175.92 1rj2 n ILE 816 N -2.10 0.00 0.37 -0.08 5.41 -1.14 -2.11 119.36 119.72 1rj2 n ILE 816 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1rj2 n ILE 816 Cb 0.22 -0.24 0.00 0.00 -0.71 0.00 0.00 39.64 38.91 1rj2 n ILE 816 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1rj2 n ALA 817 N -1.89 1.54 -3.00 -1.39 0.00 -1.26 -4.74 120.51 109.77 1rj2 n ALA 817 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1rj2 n ALA 817 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.45 1rj2 n ALA 817 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1rj2 n ILE 818 N 0.23 0.00 -2.99 0.00 -6.64 -0.90 -4.76 119.36 104.30 1rj2 n ILE 818 Ca 0.00 0.00 -0.06 0.00 -1.77 0.00 0.00 62.75 60.92 1rj2 n ILE 818 Cb 0.07 0.00 0.03 0.00 -1.44 0.00 0.00 39.64 38.30 1rj2 n ILE 818 CO 0.00 0.00 0.00 0.41 -1.77 0.00 0.00 176.55 175.19 1rj2 n THR 819 N 0.00 -8.91 -3.22 7.28 -1.04 -1.25 -4.67 114.28 102.47 1rj2 n THR 819 Ca 0.00 -0.67 -0.44 0.00 -2.04 0.00 0.00 64.05 60.90 1rj2 n THR 819 Cb 0.00 -6.43 -0.07 0.00 -1.82 0.00 0.00 70.33 62.02 1rj2 n THR 819 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1rj2 s GLY 820 N -3.10 1.84 -0.30 3.41 0.00 -1.26 -4.82 107.32 103.09 1rj2 s GLY 820 Ca 0.19 -1.81 -0.18 0.00 0.00 0.00 0.00 44.72 42.92 1rj2 s GLY 820 CO 0.67 1.36 1.22 -2.52 0.00 0.00 0.00 173.10 173.83 1rj2 s TYR 821 N 2.37 -0.19 0.11 1.90 -0.85 -1.26 -3.68 117.35 115.76 1rj2 s TYR 821 Ca 0.12 0.39 0.00 0.00 -0.52 0.00 0.00 57.07 57.06 1rj2 s TYR 821 Cb -0.20 0.18 0.00 0.00 0.38 0.00 0.00 41.96 42.32 1rj2 s TYR 821 CO 0.11 -0.09 0.00 -0.25 -1.52 0.00 0.00 175.55 173.80 1rj2 n ASP 822 N 2.96 -4.07 -1.16 -0.18 8.00 -1.26 -4.59 116.55 116.26 1rj2 n ASP 822 Ca -0.16 0.52 0.02 0.00 0.71 0.00 0.00 54.79 55.88 1rj2 n ASP 822 Cb 0.57 -1.61 0.12 0.00 -0.02 0.00 0.00 41.12 40.18 1rj2 n ASP 822 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1rj2 n GLY 823 N -1.56 3.73 0.00 0.44 0.00 -1.26 -4.81 105.19 101.73 1rj2 n GLY 823 Ca 0.00 -1.27 0.01 0.00 0.00 0.00 0.00 46.02 44.76 1rj2 n GLY 823 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1rj2 n ASN 824 N -0.53 0.00 0.00 1.61 3.02 -1.26 -4.86 115.26 113.25 1rj2 n ASN 824 Ca 0.16 -0.62 0.00 0.00 -0.03 0.00 0.00 54.58 54.10 1rj2 n ASN 824 Cb 0.87 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 40.04 1rj2 n ASN 824 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1rj2 n LEU 825 N -0.57 0.00 0.00 3.41 4.77 -1.26 -4.67 117.00 118.68 1rj2 n LEU 825 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 1rj2 n LEU 825 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1rj2 n LEU 825 CO 0.01 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.68 1rj2 n GLY 826 N 0.00 3.69 0.60 -0.72 0.00 -1.26 -5.06 105.19 102.45 1rj2 n GLY 826 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1rj2 n GLY 826 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1rj2 n ASP 827 N 0.00 -0.85 -4.05 1.61 8.00 -1.26 -5.13 116.55 114.87 1rj2 n ASP 827 Ca 0.00 0.00 -0.27 0.00 0.71 0.00 0.00 54.79 55.23 1rj2 n ASP 827 Cb 0.00 -0.21 -0.07 0.00 -0.02 0.00 0.00 41.12 40.82 1rj2 n ASP 827 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1rj2 n LEU 828 N -0.60 0.00 0.00 0.64 7.94 -1.26 -4.95 117.00 118.77 1rj2 n LEU 828 Ca 0.00 -3.15 0.00 0.00 -1.11 0.00 0.00 56.01 51.75 1rj2 n LEU 828 Cb 0.21 0.90 0.00 0.00 0.53 0.00 0.00 43.42 45.06 1rj2 n LEU 828 CO 0.00 -0.48 0.00 0.61 -1.11 0.00 0.00 177.39 176.41 1rj2 n GLY 829 N -0.87 4.27 3.91 -3.96 0.00 -1.26 -4.96 105.19 102.31 1rj2 n GLY 829 Ca -0.09 -1.84 -0.28 0.00 0.00 0.00 0.00 46.02 43.82 1rj2 n GLY 829 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1rj2 s LYS 830 N 2.50 2.91 -0.10 1.61 2.20 -1.26 -4.96 119.74 122.64 1rj2 s LYS 830 Ca 0.00 0.14 -0.15 0.00 -0.36 0.00 0.00 55.97 55.60 1rj2 s LYS 830 Cb 0.00 -2.19 -0.05 0.00 -1.51 0.00 0.00 37.83 34.08 1rj2 s LYS 830 CO 0.00 -0.80 0.38 -1.17 -0.36 0.00 0.00 175.35 173.41 1rj2 s LEU 831 N -5.10 4.32 -0.06 5.43 2.96 -1.26 -3.92 118.68 121.05 1rj2 s LEU 831 Ca 0.55 0.74 0.02 0.00 -0.22 0.00 0.00 54.13 55.22 1rj2 s LEU 831 Cb -0.11 -2.53 -0.05 0.00 0.50 0.00 0.00 46.19 44.00 1rj2 s LEU 831 CO 0.47 0.14 -0.03 0.18 -1.32 0.00 0.00 176.35 175.78 1rj2 n LEU 832 N 3.08 2.11 -3.76 -0.68 4.32 0.15 -5.00 117.00 117.22 1rj2 n LEU 832 Ca -0.11 -0.02 -0.10 0.00 -0.02 0.00 0.00 56.01 55.76 1rj2 n LEU 832 Cb 0.52 -0.12 -0.05 0.00 -1.62 0.00 0.00 43.42 42.15 1rj2 n LEU 832 CO 0.40 0.46 0.17 -0.04 -1.22 0.00 0.00 177.39 177.16 1rj2 s MET 833 N -2.12 1.23 0.00 3.23 -1.94 -1.24 -5.02 119.30 113.43 1rj2 s MET 833 Ca -0.07 -0.89 0.00 0.00 -1.71 0.00 0.00 55.69 53.03 1rj2 s MET 833 Cb 0.02 0.47 0.00 0.00 2.01 0.00 0.00 34.83 37.33 1rj2 s MET 833 CO 0.16 -0.49 0.00 0.00 -0.01 0.00 0.00 175.02 174.68 1rj2 n GLN 834 N -0.27 0.00 0.00 2.03 10.64 -1.26 -1.08 117.38 127.44 1rj2 n GLN 834 Ca -0.11 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.06 1rj2 n GLN 834 Cb 0.63 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 30.01 1rj2 n GLN 834 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1rj2 n GLY 835 N 0.00 6.00 3.31 2.61 0.00 -1.16 -4.90 105.19 111.05 1rj2 n GLY 835 Ca 0.00 -2.03 -0.32 0.00 0.00 0.00 0.00 46.02 43.67 1rj2 n GLY 835 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1rj2 s SER 836 N 0.39 3.45 0.00 1.61 1.04 -1.26 -2.52 113.70 116.40 1rj2 s SER 836 Ca 0.00 -0.44 0.00 0.00 0.48 0.00 0.00 55.95 55.99 1rj2 s SER 836 Cb 0.00 -1.20 0.00 0.00 0.10 0.00 0.00 66.02 64.92 1rj2 s SER 836 CO 0.00 0.21 0.00 0.49 0.98 0.00 0.00 173.24 174.92 1rj2 n PHE 837 N 3.17 0.00 -4.32 5.02 3.01 -0.25 -4.60 117.46 119.49 1rj2 n PHE 837 Ca -0.18 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.07 1rj2 n PHE 837 Cb 0.52 0.00 -0.16 0.00 -0.01 0.00 0.00 39.48 39.83 1rj2 n PHE 837 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 1rj2 s SER 838 N 0.26 1.19 0.09 4.37 0.01 -1.20 -2.78 113.70 115.65 1rj2 s SER 838 Ca 0.00 -0.18 0.09 0.00 1.31 0.00 0.00 55.95 57.17 1rj2 s SER 838 Cb 0.00 -0.54 -0.03 0.00 0.21 0.00 0.00 66.02 65.66 1rj2 s SER 838 CO 0.00 -0.01 -0.23 -0.69 0.41 0.00 0.00 173.24 172.72 1rj2 s VAL 839 N 0.73 1.89 -0.02 3.43 1.01 -0.93 -1.40 120.40 125.11 1rj2 s VAL 839 Ca -0.11 -1.52 0.02 0.00 0.00 0.00 0.00 61.98 60.37 1rj2 s VAL 839 Cb -0.14 -1.68 0.00 0.00 0.00 0.00 0.00 36.38 34.56 1rj2 s VAL 839 CO 0.01 0.07 -0.07 0.26 0.00 0.00 0.00 175.10 175.37 1rj2 s TRP 840 N -1.03 0.77 0.14 5.22 0.51 -0.89 -4.21 118.94 119.46 1rj2 s TRP 840 Ca 0.09 -0.18 0.03 0.00 -2.12 0.00 0.00 56.10 53.92 1rj2 s TRP 840 Cb -0.10 -0.56 -0.04 0.00 -0.81 0.00 0.00 33.47 31.97 1rj2 s TRP 840 CO 0.04 -0.08 0.25 0.99 -0.51 0.00 0.00 176.95 177.64 1rj2 s THR 841 N 0.17 5.20 -0.54 2.01 2.01 -1.26 -0.39 115.64 122.84 1rj2 s THR 841 Ca -0.02 -0.70 0.06 0.00 0.31 0.00 0.00 61.69 61.34 1rj2 s THR 841 Cb -0.07 -3.66 0.23 0.00 0.01 0.00 0.00 72.50 69.01 1rj2 s THR 841 CO 0.00 -0.06 0.60 0.47 -0.69 0.00 0.00 174.62 174.94 1rj2 n ASP 842 N -0.39 2.03 0.00 3.53 8.00 -0.90 -4.96 116.55 123.87 1rj2 n ASP 842 Ca -0.07 -3.06 0.00 0.00 0.71 0.00 0.00 54.79 52.38 1rj2 n ASP 842 Cb 0.54 -0.66 0.00 0.00 -0.02 0.00 0.00 41.12 40.98 1rj2 n ASP 842 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1rj2 n LYS 857 N 1.37 0.00 0.00 -1.24 4.81 -1.26 -3.82 118.16 118.02 1rj2 n LYS 857 Ca 0.26 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.70 1rj2 n LYS 857 Cb 0.45 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.50 1rj2 n LYS 857 CO 0.00 0.00 0.00 -3.68 1.17 0.00 0.00 177.40 174.89 1rj2 n PRO 858 N -0.22 0.00 0.00 1.64 -0.08 -1.26 -5.14 135.00 129.94 1rj2 n PRO 858 Ca 0.00 0.00 0.00 0.00 -0.08 0.00 0.00 63.50 63.42 1rj2 n PRO 858 Cb 0.00 0.00 0.00 0.00 -0.08 0.00 0.00 33.50 33.42 1rj2 n PRO 858 CO 0.00 0.00 0.00 -0.12 -0.08 0.00 0.00 175.50 175.30 1rj2 n MET 859 N 0.00 0.00 -4.09 0.58 0.00 -1.26 -4.39 117.12 107.96 1rj2 n MET 859 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 57.70 57.35 1rj2 n MET 859 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 33.22 33.13 1rj2 n MET 859 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 175.97 175.32 1rj2 s GLN 860 N -5.14 3.55 -0.07 2.12 -1.52 -1.26 -2.18 119.66 115.16 1rj2 s GLN 860 Ca 0.00 -0.31 -0.22 0.00 -1.95 0.00 0.00 55.36 52.88 1rj2 s GLN 860 Cb 0.00 -3.08 0.05 0.00 -0.22 0.00 0.00 33.01 29.76 1rj2 s GLN 860 CO 0.00 0.53 0.50 1.03 -0.25 0.00 0.00 175.29 177.10 1rj2 s ARG 861 N -0.36 0.81 0.06 2.91 1.81 -1.12 -4.85 118.95 118.22 1rj2 s ARG 861 Ca 0.09 0.19 0.05 0.00 -1.72 0.00 0.00 55.73 54.34 1rj2 s ARG 861 Cb -0.12 0.38 -0.04 0.00 -0.45 0.00 0.00 34.95 34.72 1rj2 s ARG 861 CO 0.02 -0.22 -0.05 -1.58 -0.68 0.00 0.00 175.30 172.79 1rj2 s HIS 862 N -0.92 2.88 -0.02 -0.53 5.65 -1.26 -1.09 115.29 120.00 1rj2 s HIS 862 Ca -0.10 -0.07 -0.05 0.00 0.25 0.00 0.00 55.06 55.09 1rj2 s HIS 862 Cb -0.03 -1.53 0.01 0.00 -1.18 0.00 0.00 32.58 29.84 1rj2 s HIS 862 CO 0.06 0.42 0.12 -0.48 -0.65 0.00 0.00 174.74 174.22 1rj2 s LEU 863 N -1.94 1.57 0.00 8.88 2.34 -1.05 0.84 118.68 129.32 1rj2 s LEU 863 Ca 0.21 0.02 0.00 0.00 0.06 0.00 0.00 54.13 54.42 1rj2 s LEU 863 Cb -0.11 0.53 0.00 0.00 -0.56 0.00 0.00 46.19 46.05 1rj2 s LEU 863 CO 0.13 -0.20 0.00 0.49 -1.06 0.00 0.00 176.35 175.71 1rj2 n PHE 864 N 2.25 -1.28 -3.15 3.48 3.72 -0.22 -2.99 117.46 119.28 1rj2 n PHE 864 Ca -0.18 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.27 1rj2 n PHE 864 Cb 0.57 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.10 1rj2 n PHE 864 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 1rj2 s LEU 865 N 0.00 -1.06 -0.01 4.37 1.98 -0.24 -3.90 118.68 119.83 1rj2 s LEU 865 Ca 0.00 0.55 0.03 0.00 -2.89 0.00 0.00 54.13 51.82 1rj2 s LEU 865 Cb 0.00 1.84 -0.01 0.00 0.66 0.00 0.00 46.19 48.69 1rj2 s LEU 865 CO 0.00 -0.20 -0.10 -1.00 -1.89 0.00 0.00 176.35 173.17 1rj2 s HIS 866 N 2.89 0.86 0.41 5.38 3.76 -1.10 0.30 115.29 127.79 1rj2 s HIS 866 Ca 0.13 -0.16 0.34 0.00 -0.15 0.00 0.00 55.06 55.22 1rj2 s HIS 866 Cb -0.12 -0.55 1.83 0.00 1.11 0.00 0.00 32.58 34.85 1rj2 s HIS 866 CO -0.19 -0.01 2.02 1.49 -0.85 0.00 0.00 174.74 177.20 1rj2 h GLU 867 N 5.91 0.00 0.05 1.40 4.81 -1.94 0.74 114.58 125.55 1rj2 h GLU 867 Ca -0.31 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 58.68 1rj2 h GLU 867 Cb 1.18 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.56 1rj2 h GLU 867 CO 0.50 0.00 -1.04 0.87 -0.73 0.00 0.00 179.01 178.60 1rj2 h LYS 868 N 0.00 0.33 -1.16 1.92 1.79 -1.93 -3.42 116.57 114.10 1rj2 h LYS 868 Ca 0.00 -0.42 0.18 0.00 -2.18 0.00 0.00 60.65 58.23 1rj2 h LYS 868 Cb 0.19 0.13 -0.30 0.00 -1.58 0.00 0.00 32.23 30.67 1rj2 h LYS 868 CO 0.00 1.13 0.83 0.00 -1.08 0.00 0.00 179.45 180.32 1rj2 s ALA 869 N -3.03 -2.15 -0.22 3.86 0.00 0.25 -2.86 121.76 117.62 1rj2 s ALA 869 Ca -0.05 1.75 -0.23 0.00 0.00 0.00 0.00 51.96 53.44 1rj2 s ALA 869 Cb 0.08 -1.60 -0.02 0.00 0.00 0.00 0.00 23.12 21.59 1rj2 s ALA 869 CO 0.87 -0.17 0.73 0.08 0.00 0.00 0.00 175.76 177.28 1rj2 s VAL 870 N -0.30 4.93 0.08 0.00 1.01 -0.13 -2.70 120.40 123.29 1rj2 s VAL 870 Ca 0.07 1.39 -0.07 0.00 0.00 0.00 0.00 61.98 63.36 1rj2 s VAL 870 Cb -0.04 -4.04 -0.05 0.00 0.00 0.00 0.00 36.38 32.25 1rj2 s VAL 870 CO -0.11 0.02 0.36 -0.76 0.00 0.00 0.00 175.10 174.60 1rj2 s LEU 871 N 2.38 4.33 -0.26 3.92 2.01 -1.25 -1.14 118.68 128.67 1rj2 s LEU 871 Ca 0.32 0.67 -0.01 0.00 0.01 0.00 0.00 54.13 55.12 1rj2 s LEU 871 Cb -0.16 -3.01 0.08 0.00 0.01 0.00 0.00 46.19 43.11 1rj2 s LEU 871 CO 0.09 0.15 0.04 -0.36 1.01 0.00 0.00 176.35 177.29 1rj2 s PHE 872 N -1.45 1.77 -0.41 0.29 0.08 -1.15 -1.06 117.98 116.05 1rj2 s PHE 872 Ca 0.34 -1.52 0.02 0.00 0.12 0.00 0.00 56.93 55.88 1rj2 s PHE 872 Cb -0.13 -1.52 0.15 0.00 -0.57 0.00 0.00 43.02 40.94 1rj2 s PHE 872 CO 0.20 -0.77 0.26 0.00 -0.10 0.00 0.00 175.22 174.81 1rj2 n LYS 874 N 3.51 0.04 -2.56 0.00 4.81 -0.96 -4.20 118.16 118.81 1rj2 n LYS 874 Ca 0.16 0.01 -0.42 0.00 -0.87 0.00 0.00 58.31 57.19 1rj2 n LYS 874 Cb 0.39 -1.54 -0.02 0.00 0.02 0.00 0.00 35.03 33.89 1rj2 n LYS 874 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 1rj2 s LYS 875 N 5.50 3.77 0.00 1.64 2.20 -1.26 -4.26 119.74 127.34 1rj2 s LYS 875 Ca 1.17 -1.56 0.00 0.00 -0.36 0.00 0.00 55.97 55.22 1rj2 s LYS 875 Cb -1.48 -5.45 0.00 0.00 -1.51 0.00 0.00 37.83 29.40 1rj2 s LYS 875 CO 0.68 -2.26 0.00 0.54 -0.36 0.00 0.00 175.35 173.95 1rj2 n ARG 876 N 8.64 1.67 -2.42 4.03 1.74 0.75 -4.92 116.66 126.15 1rj2 n ARG 876 Ca 0.41 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.49 1rj2 n ARG 876 Cb 0.48 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.92 1rj2 n ARG 876 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 1rj2 n TYR 883 N -0.65 0.00 -0.14 -1.55 4.19 -1.26 -4.77 117.16 112.98 1rj2 n TYR 883 Ca 0.00 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.21 1rj2 n TYR 883 Cb 0.00 0.00 0.00 0.00 0.49 0.00 0.00 39.34 39.83 1rj2 n TYR 883 CO 0.00 0.00 0.00 -0.85 0.91 0.00 0.00 176.86 176.92 1rj2 n GLU 884 N 0.00 0.00 -0.81 2.98 0.28 -1.26 -5.16 120.64 116.67 1rj2 n GLU 884 Ca 0.00 0.00 -0.06 0.00 -0.16 0.00 0.00 57.16 56.94 1rj2 n GLU 884 Cb 0.00 0.00 0.04 0.00 1.43 0.00 0.00 31.44 32.91 1rj2 n GLU 884 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1rj2 n LYS 885 N 0.00 0.09 0.00 3.44 4.76 -1.26 -5.06 118.16 120.13 1rj2 n LYS 885 Ca 0.00 -0.60 0.00 0.00 -2.87 0.00 0.00 58.31 54.84 1rj2 n LYS 885 Cb 0.00 -0.25 0.00 0.00 -1.84 0.00 0.00 35.03 32.94 1rj2 n LYS 885 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1rj2 n ALA 886 N -3.09 0.30 -2.32 7.82 0.00 -1.26 -5.08 120.51 116.88 1rj2 n ALA 886 Ca -0.05 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.97 1rj2 n ALA 886 Cb 0.15 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.57 1rj2 n ALA 886 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1rj2 s PRO 887 N -1.00 3.40 -0.46 0.00 0.04 -1.26 -4.88 135.00 130.84 1rj2 s PRO 887 Ca 0.00 0.77 0.07 0.00 0.04 0.00 0.00 61.00 61.88 1rj2 s PRO 887 Cb 0.00 -4.10 0.28 0.00 0.04 0.00 0.00 34.50 30.73 1rj2 s PRO 887 CO 0.00 -1.80 0.94 -1.13 0.04 0.00 0.00 177.00 175.06 1rj2 n SER 888 N 9.44 -2.08 -0.00 6.66 3.41 -1.26 -4.90 113.62 124.89 1rj2 n SER 888 Ca 0.16 -3.40 0.02 0.00 -0.26 0.00 0.00 58.87 55.38 1rj2 n SER 888 Cb 0.49 1.45 -0.03 0.00 -0.26 0.00 0.00 64.21 65.86 1rj2 n SER 888 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1rj2 n TYR 889 N 0.96 0.00 -1.26 7.33 4.02 -1.26 -0.18 117.16 126.77 1rj2 n TYR 889 Ca 0.10 0.00 -0.08 0.00 -0.01 0.00 0.00 57.90 57.91 1rj2 n TYR 889 Cb 0.65 -0.05 -0.07 0.00 -0.02 0.00 0.00 39.34 39.85 1rj2 n TYR 889 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 1rj2 n SER 890 N -1.38 -0.88 -3.65 7.72 7.64 -1.26 -3.95 113.62 117.85 1rj2 n SER 890 Ca -0.00 -1.50 0.01 0.00 1.01 0.00 0.00 58.87 58.39 1rj2 n SER 890 Cb 0.08 -0.92 -0.06 0.00 -1.01 0.00 0.00 64.21 62.29 1rj2 n SER 890 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1rj2 s TYR 891 N 5.04 -0.12 0.13 1.43 6.14 -1.24 -4.37 117.35 124.36 1rj2 s TYR 891 Ca 0.49 0.24 0.00 0.00 0.64 0.00 0.00 57.07 58.44 1rj2 s TYR 891 Cb -0.17 0.12 0.00 0.00 0.42 0.00 0.00 41.96 42.33 1rj2 s TYR 891 CO 0.15 -0.06 0.00 1.17 0.64 0.00 0.00 175.55 177.45 1rj2 n LYS 892 N 2.96 -0.70 -0.01 4.97 4.81 -1.26 -2.26 118.16 126.68 1rj2 n LYS 892 Ca -0.16 0.57 0.00 0.00 -0.87 0.00 0.00 58.31 57.84 1rj2 n LYS 892 Cb 0.56 -0.82 0.00 0.00 0.02 0.00 0.00 35.03 34.80 1rj2 n LYS 892 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1rj2 n GLN 893 N -2.52 2.40 -3.92 1.64 -0.00 -1.25 -4.66 117.38 109.08 1rj2 n GLN 893 Ca -0.02 0.00 -0.10 0.00 -0.00 0.00 0.00 57.00 56.88 1rj2 n GLN 893 Cb 0.14 0.00 -0.10 0.00 -0.00 0.00 0.00 30.24 30.28 1rj2 n GLN 893 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1rj2 s SER 894 N -1.00 0.13 0.09 2.61 0.15 -1.26 -2.93 113.70 111.48 1rj2 s SER 894 Ca 0.00 -0.35 -0.00 0.00 0.70 0.00 0.00 55.95 56.30 1rj2 s SER 894 Cb 0.00 0.16 -0.04 0.00 -1.71 0.00 0.00 66.02 64.43 1rj2 s SER 894 CO 0.00 -0.35 0.24 -0.76 1.20 0.00 0.00 173.24 173.57 1rj2 s LEU 895 N -1.47 4.34 -0.19 3.45 1.43 -0.29 -5.00 118.68 120.96 1rj2 s LEU 895 Ca -0.15 0.29 -0.08 0.00 -1.03 0.00 0.00 54.13 53.16 1rj2 s LEU 895 Cb -0.08 -3.00 -0.04 0.00 0.03 0.00 0.00 46.19 43.10 1rj2 s LEU 895 CO 0.00 0.13 0.09 0.21 0.23 0.00 0.00 176.35 177.01 1rj2 s ASN 896 N -2.63 5.77 0.64 2.29 3.04 -1.26 -0.95 114.94 121.83 1rj2 s ASN 896 Ca 0.36 0.10 0.23 0.00 0.04 0.00 0.00 52.86 53.58 1rj2 s ASN 896 Cb -0.13 -2.00 1.16 0.00 -1.54 0.00 0.00 41.25 38.74 1rj2 s ASN 896 CO 0.28 0.15 1.64 -0.03 -3.04 0.00 0.00 177.10 176.10 1rj2 h MET 897 N 6.85 0.00 -5.58 0.43 4.05 -1.77 -3.34 114.93 115.56 1rj2 h MET 897 Ca -0.38 0.00 -0.29 0.00 -0.28 0.00 0.00 59.70 58.75 1rj2 h MET 897 Cb 1.16 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 31.92 1rj2 h MET 897 CO 0.70 0.00 0.84 0.99 0.23 0.00 0.00 176.91 179.67 1rj2 s THR 898 N -4.25 3.46 0.00 -0.77 2.01 -1.26 -2.54 115.64 112.29 1rj2 s THR 898 Ca -0.03 -0.59 0.00 0.00 0.31 0.00 0.00 61.69 61.38 1rj2 s THR 898 Cb 0.09 -4.22 0.00 0.00 0.01 0.00 0.00 72.50 68.38 1rj2 s THR 898 CO 0.31 -0.91 0.00 0.00 -0.69 0.00 0.00 174.62 173.33 1rj2 n ALA 899 N 14.48 -0.11 -3.90 7.40 0.00 -1.25 -4.83 120.51 132.30 1rj2 n ALA 899 Ca 0.42 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.56 1rj2 n ALA 899 Cb 0.47 -0.17 -0.15 0.00 0.00 0.00 0.00 19.45 19.59 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 -2.10 1.75 0.07 0.00 1.01 -1.05 -2.64 120.40 117.43 1rj2 s VAL 900 Ca 0.00 -2.08 -0.18 0.00 0.00 0.00 0.00 61.98 59.72 1rj2 s VAL 900 Cb 0.00 -2.29 -0.07 0.00 0.00 0.00 0.00 36.38 34.02 1rj2 s VAL 900 CO 0.00 -0.66 0.54 -0.83 0.00 0.00 0.00 175.10 174.15 1rj2 s GLY 901 N 1.06 2.62 -0.31 4.51 0.00 -1.16 -4.97 107.32 109.08 1rj2 s GLY 901 Ca 0.11 -0.03 0.01 0.00 0.00 0.00 0.00 44.72 44.81 1rj2 s GLY 901 CO -0.13 0.38 -0.01 -1.50 0.00 0.00 0.00 173.10 171.84 1rj2 s ILE 902 N -1.13 2.63 -0.10 0.90 1.10 -1.26 -2.62 121.20 120.72 1rj2 s ILE 902 Ca 0.29 -1.70 -0.29 0.00 -0.51 0.00 0.00 60.65 58.43 1rj2 s ILE 902 Cb -0.19 -2.63 -0.05 0.00 0.15 0.00 0.00 42.46 39.74 1rj2 s ILE 902 CO 0.18 -0.22 1.76 0.42 -2.11 0.00 0.00 174.94 174.96 1rj2 s THR 903 N 1.13 3.45 0.00 4.00 -4.23 -1.04 -4.95 115.64 114.01 1rj2 s THR 903 Ca -0.02 0.53 0.00 0.00 -1.18 0.00 0.00 61.69 61.02 1rj2 s THR 903 Cb -0.20 -3.40 0.00 0.00 1.34 0.00 0.00 72.50 70.24 1rj2 s THR 903 CO -0.04 -0.11 0.50 1.21 -0.54 0.00 0.00 174.62 175.64 1rj2 n GLU 904 N 7.50 0.00 -3.68 3.99 4.07 -1.26 -4.00 120.64 127.26 1rj2 n GLU 904 Ca 0.19 0.10 -0.37 0.00 -0.06 0.00 0.00 57.16 57.03 1rj2 n GLU 904 Cb 0.43 -1.00 -0.07 0.00 -0.06 0.00 0.00 31.44 30.75 1rj2 n GLU 904 CO 0.00 0.00 0.00 -0.80 -0.06 0.00 0.00 177.13 176.27 1rj2 s ASN 905 N -2.21 6.43 -0.39 4.31 -0.87 -1.26 -4.86 114.94 116.10 1rj2 s ASN 905 Ca 0.00 0.51 -0.04 0.00 -1.57 0.00 0.00 52.86 51.76 1rj2 s ASN 905 Cb 0.00 -2.14 0.09 0.00 -0.02 0.00 0.00 41.25 39.18 1rj2 s ASN 905 CO 0.00 0.25 0.18 0.68 -2.57 0.00 0.00 177.10 175.64 1rj2 s VAL 906 N -0.28 3.45 0.00 1.60 -7.23 -1.26 -4.99 120.40 111.70 1rj2 s VAL 906 Ca 0.15 -1.76 -0.00 0.00 -1.81 0.00 0.00 61.98 58.56 1rj2 s VAL 906 Cb -0.13 -3.23 -0.02 0.00 0.56 0.00 0.00 36.38 33.57 1rj2 s VAL 906 CO 0.04 -0.53 0.69 2.29 -0.31 0.00 0.00 175.10 177.29 1rj2 n LYS 907 N 4.68 0.12 0.00 4.82 0.00 -1.26 -3.98 118.16 122.54 1rj2 n LYS 907 Ca -0.06 -0.06 0.00 0.00 -0.00 0.00 0.00 58.31 58.19 1rj2 n LYS 907 Cb 0.42 -1.53 0.00 0.00 -0.00 0.00 0.00 35.03 33.92 1rj2 n LYS 907 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1rj2 n GLY 908 N 2.97 1.40 3.82 2.58 0.00 -1.26 -5.13 105.19 109.57 1rj2 n GLY 908 Ca 0.03 -0.20 -0.31 0.00 0.00 0.00 0.00 46.02 45.54 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 1.00 5.29 -0.36 1.61 2.15 -1.26 -4.95 116.67 120.16 1rj2 s ASP 909 Ca 0.00 1.55 0.01 0.00 0.43 0.00 0.00 52.55 54.55 1rj2 s ASP 909 Cb 0.00 -2.42 0.42 0.00 -0.30 0.00 0.00 42.92 40.62 1rj2 s ASP 909 CO 0.00 -1.49 1.77 0.35 -0.17 0.00 0.00 175.17 175.62 1rj2 n THR 910 N -3.15 2.73 0.00 1.71 -2.24 -1.26 -4.48 114.28 107.59 1rj2 n THR 910 Ca 0.07 -1.61 0.00 0.00 -2.27 0.00 0.00 64.05 60.24 1rj2 n THR 910 Cb 0.54 -0.83 0.00 0.00 -2.10 0.00 0.00 70.33 67.94 1rj2 n THR 910 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1rj2 n LYS 911 N -0.50 0.00 -3.63 -0.78 2.85 -1.26 -4.63 118.16 110.20 1rj2 n LYS 911 Ca 0.43 0.00 -0.01 0.00 -1.05 0.00 0.00 58.31 57.67 1rj2 n LYS 911 Cb 1.10 0.00 -0.01 0.00 -0.65 0.00 0.00 35.03 35.47 1rj2 n LYS 911 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 1rj2 s LYS 912 N 0.00 0.55 0.00 -1.58 2.20 -1.26 -0.96 119.74 118.69 1rj2 s LYS 912 Ca 0.00 -0.29 0.00 0.00 -0.36 0.00 0.00 55.97 55.32 1rj2 s LYS 912 Cb 0.00 0.20 0.00 0.00 -1.51 0.00 0.00 37.83 36.52 1rj2 s LYS 912 CO 0.00 -0.25 0.00 1.97 -0.36 0.00 0.00 175.35 176.71 1rj2 n PHE 913 N -0.40 -0.45 -3.93 4.03 1.16 -0.85 -4.39 117.46 112.64 1rj2 n PHE 913 Ca -0.06 0.00 -0.10 0.00 -1.87 0.00 0.00 57.45 55.42 1rj2 n PHE 913 Cb 0.62 0.00 -0.10 0.00 -1.61 0.00 0.00 39.48 38.39 1rj2 n PHE 913 CO 0.00 0.00 0.00 -1.21 -1.87 0.00 0.00 176.76 173.68 1rj2 s GLU 914 N -1.15 0.48 -0.49 3.97 2.02 -1.26 0.78 118.70 123.06 1rj2 s GLU 914 Ca 0.00 -0.62 0.03 0.00 0.02 0.00 0.00 54.97 54.40 1rj2 s GLU 914 Cb 0.00 0.19 0.15 0.00 0.10 0.00 0.00 34.13 34.57 1rj2 s GLU 914 CO 0.00 -0.11 0.32 0.42 0.02 0.00 0.00 175.26 175.92 1rj2 s ILE 915 N -1.95 1.42 0.56 -1.63 1.01 -0.45 -2.48 121.20 117.68 1rj2 s ILE 915 Ca -0.11 -2.95 -0.11 0.00 0.00 0.00 0.00 60.65 57.49 1rj2 s ILE 915 Cb -0.05 -1.97 -0.05 0.00 0.01 0.00 0.00 42.46 40.40 1rj2 s ILE 915 CO -0.02 -1.02 0.95 -1.66 0.00 0.00 0.00 174.94 173.20 1rj2 s TRP 916 N -0.12 3.58 -0.10 3.97 1.48 -1.08 -2.55 118.94 124.13 1rj2 s TRP 916 Ca 0.23 1.20 -0.01 0.00 -1.06 0.00 0.00 56.10 56.46 1rj2 s TRP 916 Cb -0.12 -2.62 0.03 0.00 -1.16 0.00 0.00 33.47 29.59 1rj2 s TRP 916 CO -0.09 -0.52 -0.03 -0.47 -4.06 0.00 0.00 176.95 171.79 1rj2 s TYR 917 N -2.95 1.02 0.00 1.66 5.04 0.65 -2.98 117.35 119.78 1rj2 s TYR 917 Ca 0.54 -0.45 0.00 0.00 -2.44 0.00 0.00 57.07 54.72 1rj2 s TYR 917 Cb -0.11 -0.99 0.00 0.00 0.35 0.00 0.00 41.96 41.22 1rj2 s TYR 917 CO 0.47 -0.42 0.00 0.09 -1.34 0.00 0.00 175.55 174.35 1rj2 n ASN 918 N 5.06 0.00 -1.77 4.32 5.03 -1.08 -3.91 115.26 122.91 1rj2 n ASN 918 Ca -0.09 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.36 1rj2 n ASN 918 Cb 0.50 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.26 1rj2 n ASN 918 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1rj2 n ALA 919 N 10.91 2.61 -0.44 5.41 0.00 -1.26 -4.63 120.51 133.10 1rj2 n ALA 919 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1rj2 n ALA 919 Cb 0.00 -1.55 0.00 0.00 0.00 0.00 0.00 19.45 17.90 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 1.77 0.00 0.00 0.00 5.12 -1.25 -4.86 116.66 117.43 1rj2 n ARG 920 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1rj2 n ARG 920 Cb 0.22 -4.42 0.00 0.00 -1.16 0.00 0.00 32.46 27.10 1rj2 n ARG 920 CO 0.00 0.00 0.00 -0.85 -1.93 0.00 0.00 177.63 174.85 1rj2 n GLU 921 N -2.00 0.00 -1.82 5.56 0.28 -1.26 -4.48 120.64 116.92 1rj2 n GLU 921 Ca 0.00 0.02 -0.42 0.00 -0.16 0.00 0.00 57.16 56.60 1rj2 n GLU 921 Cb 0.00 -0.69 -0.03 0.00 1.43 0.00 0.00 31.44 32.15 1rj2 n GLU 921 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 1rj2 s GLU 922 N -0.39 3.91 0.09 3.44 2.12 -1.25 -4.66 118.70 121.97 1rj2 s GLU 922 Ca 0.00 2.24 0.04 0.00 0.36 0.00 0.00 54.97 57.60 1rj2 s GLU 922 Cb 0.00 -4.13 -0.04 0.00 0.26 0.00 0.00 34.13 30.22 1rj2 s GLU 922 CO 0.00 -1.19 -0.10 0.08 -0.54 0.00 0.00 175.26 173.51 1rj2 s VAL 923 N 5.17 0.94 -0.31 3.70 1.01 -1.25 -0.26 120.40 129.40 1rj2 s VAL 923 Ca 0.84 -1.62 -0.02 0.00 0.00 0.00 0.00 61.98 61.18 1rj2 s VAL 923 Cb -0.35 -1.33 0.11 0.00 0.00 0.00 0.00 36.38 34.80 1rj2 s VAL 923 CO 0.35 -0.54 0.13 -0.31 0.00 0.00 0.00 175.10 174.73 1rj2 s TYR 924 N -2.37 1.09 -0.45 5.22 1.51 -1.06 -2.11 117.35 119.18 1rj2 s TYR 924 Ca 0.05 -1.43 -0.29 0.00 -1.01 0.00 0.00 57.07 54.40 1rj2 s TYR 924 Cb -0.03 -1.34 0.01 0.00 -0.11 0.00 0.00 41.96 40.49 1rj2 s TYR 924 CO 0.00 -0.85 1.39 0.42 -1.11 0.00 0.00 175.55 175.40 1rj2 s ILE 925 N 1.69 3.91 -0.92 2.71 1.01 0.48 -1.34 121.20 128.74 1rj2 s ILE 925 Ca 0.11 0.90 -0.16 0.00 0.00 0.00 0.00 60.65 61.49 1rj2 s ILE 925 Cb -0.18 -4.29 0.17 0.00 0.01 0.00 0.00 42.46 38.18 1rj2 s ILE 925 CO -0.26 -0.86 1.01 -0.63 0.00 0.00 0.00 174.94 174.20 1rj2 s ILE 926 N 5.48 5.13 -0.56 2.92 -1.09 0.23 -2.09 121.20 131.23 1rj2 s ILE 926 Ca 0.58 -2.05 -0.26 0.00 -2.23 0.00 0.00 60.65 56.69 1rj2 s ILE 926 Cb -0.12 -4.67 -0.06 0.00 -1.58 0.00 0.00 42.46 36.03 1rj2 s ILE 926 CO 0.31 -1.33 2.23 -1.58 -1.23 0.00 0.00 174.94 173.35 1rj2 s GLN 927 N 1.52 2.23 0.63 2.79 0.74 -0.49 -2.01 119.66 125.07 1rj2 s GLN 927 Ca 0.28 1.07 -0.16 0.00 0.05 0.00 0.00 55.36 56.60 1rj2 s GLN 927 Cb -0.07 -4.55 -0.02 0.00 1.10 0.00 0.00 33.01 29.47 1rj2 s GLN 927 CO -0.09 -3.19 1.11 0.00 -0.55 0.00 0.00 175.29 172.56 1rj2 s ALA 928 N 11.39 2.55 0.09 1.58 0.00 -0.13 -3.20 121.76 134.03 1rj2 s ALA 928 Ca 0.87 0.57 -0.22 0.00 0.00 0.00 0.00 51.96 53.18 1rj2 s ALA 928 Cb -0.15 -3.31 -0.13 0.00 0.00 0.00 0.00 23.12 19.53 1rj2 s ALA 928 CO 0.23 -1.12 1.69 -1.00 0.00 0.00 0.00 175.76 175.56 1rj2 h PRO 929 N 0.30 0.10 -3.01 0.00 0.13 -1.81 -3.42 132.00 124.29 1rj2 h PRO 929 Ca -0.47 -0.01 -0.11 0.00 -0.87 0.00 0.00 66.00 64.54 1rj2 h PRO 929 Cb 1.24 -0.02 -0.19 0.00 0.13 0.00 0.00 31.00 32.16 1rj2 h PRO 929 CO 0.55 0.14 -0.22 0.95 -0.23 0.00 0.00 178.00 179.19 1rj2 s THR 930 N -5.90 0.06 -0.61 1.56 -4.23 -1.26 -5.02 115.64 100.23 1rj2 s THR 930 Ca -0.13 -0.48 0.00 0.00 -1.18 0.00 0.00 61.69 59.90 1rj2 s THR 930 Cb 0.06 -0.73 0.00 0.00 1.34 0.00 0.00 72.50 73.18 1rj2 s THR 930 CO 0.68 -0.26 0.30 -2.65 -0.54 0.00 0.00 174.62 172.15 1rj2 n PRO 931 N 1.06 0.00 -0.09 3.99 -0.02 -1.26 -0.11 135.00 138.58 1rj2 n PRO 931 Ca -0.21 0.05 -0.17 0.00 -2.02 0.00 0.00 63.50 61.14 1rj2 n PRO 931 Cb 0.57 -1.58 -0.13 0.00 -0.02 0.00 0.00 33.50 32.34 1rj2 n PRO 931 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1rj2 n GLU 932 N -0.80 0.68 -0.61 -0.52 -0.58 -1.26 -1.41 120.64 116.14 1rj2 n GLU 932 Ca 0.00 0.16 -0.06 0.00 -0.42 0.00 0.00 57.16 56.84 1rj2 n GLU 932 Cb 0.08 -1.57 0.16 0.00 -0.57 0.00 0.00 31.44 29.54 1rj2 n GLU 932 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 1rj2 n ILE 933 N -3.24 1.93 0.08 -3.67 -0.00 0.85 -2.84 119.36 112.48 1rj2 n ILE 933 Ca -0.40 -0.95 0.00 0.00 -0.00 0.00 0.00 62.75 61.40 1rj2 n ILE 933 Cb 1.03 -0.56 0.00 0.00 -0.00 0.00 0.00 39.64 40.11 1rj2 n ILE 933 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.55 177.72 1rj2 n LYS 934 N -0.08 0.00 -0.18 0.38 4.81 -1.04 -4.59 118.16 117.45 1rj2 n LYS 934 Ca 0.26 0.00 -0.02 0.00 -0.87 0.00 0.00 58.31 57.68 1rj2 n LYS 934 Cb 0.99 -0.26 0.08 0.00 0.02 0.00 0.00 35.03 35.86 1rj2 n LYS 934 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1rj2 h ALA 935 N 0.00 0.69 -0.06 3.14 0.00 -1.34 0.20 119.26 121.89 1rj2 h ALA 935 Ca 0.00 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1rj2 h ALA 935 Cb 0.00 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1rj2 h ALA 935 CO 0.00 -0.19 -0.18 0.00 0.00 0.00 0.00 179.25 178.89 1rj2 h ALA 936 N 1.36 1.60 0.15 0.00 0.00 -1.75 -2.58 119.26 118.05 1rj2 h ALA 936 Ca 0.26 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1rj2 h ALA 936 Cb 0.29 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1rj2 h ALA 936 CO -0.26 0.29 -0.07 -1.49 0.00 0.00 0.00 179.25 177.72 1rj2 h TRP 937 N 0.09 -0.19 0.00 0.00 4.06 -1.25 -1.94 115.95 116.72 1rj2 h TRP 937 Ca 0.02 -0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.96 1rj2 h TRP 937 Cb 0.37 0.06 0.00 0.00 -1.00 0.00 0.00 29.16 28.59 1rj2 h TRP 937 CO 0.00 -0.12 0.04 0.28 -3.56 0.00 0.00 178.44 175.09 1rj2 n VAL 938 N -4.74 1.68 -0.10 1.49 0.31 0.51 -2.26 118.33 115.21 1rj2 n VAL 938 Ca -0.03 0.46 -0.14 0.00 -0.01 0.00 0.00 64.34 64.63 1rj2 n VAL 938 Cb 0.08 -1.46 -0.10 0.00 -0.91 0.00 0.00 33.84 31.45 1rj2 n VAL 938 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1rj2 n ASN 939 N -1.42 2.25 0.00 4.52 4.13 -0.97 -4.35 115.26 119.42 1rj2 n ASN 939 Ca 0.00 -0.10 0.03 0.00 1.68 0.00 0.00 54.58 56.19 1rj2 n ASN 939 Cb 0.04 -0.23 0.21 0.00 -1.54 0.00 0.00 39.78 38.26 1rj2 n ASN 939 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 1rj2 n GLU 940 N -3.07 0.23 -2.02 3.52 4.07 -0.73 -2.64 120.64 120.00 1rj2 n GLU 940 Ca -0.36 0.00 -0.38 0.00 -0.06 0.00 0.00 57.16 56.35 1rj2 n GLU 940 Cb 0.91 -1.47 0.02 0.00 -0.06 0.00 0.00 31.44 30.84 1rj2 n GLU 940 CO 0.00 0.00 0.00 -0.89 -0.06 0.00 0.00 177.13 176.18 1rj2 n ILE 941 N -0.97 4.20 0.00 6.31 5.41 -1.22 -3.60 119.36 129.49 1rj2 n ILE 941 Ca 0.05 -4.49 0.00 0.00 1.00 0.00 0.00 62.75 59.32 1rj2 n ILE 941 Cb 0.02 -1.40 0.00 0.00 -0.71 0.00 0.00 39.64 37.55 1rj2 n ILE 941 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1rj2 n ARG 942 N -0.12 0.00 -0.04 0.38 5.12 -1.08 -3.86 116.66 117.05 1rj2 n ARG 942 Ca 0.52 0.00 0.11 0.00 -1.93 0.00 0.00 57.85 56.55 1rj2 n ARG 942 Cb 0.28 -0.47 0.48 0.00 -1.16 0.00 0.00 32.46 31.60 1rj2 n ARG 942 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 1rj2 n LYS 943 N -0.57 1.50 0.00 5.56 4.81 -1.24 -1.37 118.16 126.86 1rj2 n LYS 943 Ca 0.00 -0.75 0.00 0.00 -0.87 0.00 0.00 58.31 56.69 1rj2 n LYS 943 Cb 0.00 -1.39 0.00 0.00 0.02 0.00 0.00 35.03 33.66 1rj2 n LYS 943 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1rj2 n VAL 944 N -0.05 0.00 0.39 3.15 0.31 -1.25 -4.57 118.33 116.30 1rj2 n VAL 944 Ca 0.17 0.00 -0.17 0.00 -0.01 0.00 0.00 64.34 64.33 1rj2 n VAL 944 Cb 0.26 -0.81 -0.08 0.00 -0.91 0.00 0.00 33.84 32.30 1rj2 n VAL 944 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1rj2 h LEU 945 N 0.00 -0.84 -1.15 7.52 3.38 -1.73 0.34 115.31 122.83 1rj2 h LEU 945 Ca 0.00 0.01 0.02 0.00 0.09 0.00 0.00 57.88 57.99 1rj2 h LEU 945 Cb 0.00 0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 1rj2 h LEU 945 CO 0.00 -0.51 0.58 0.74 0.09 0.00 0.00 178.44 179.33 1rj2 h THR 946 N -1.14 1.20 0.00 0.22 2.02 -1.69 0.48 112.91 114.01 1rj2 h THR 946 Ca -0.10 -0.40 0.00 0.00 0.77 0.00 0.00 66.41 66.68 1rj2 h THR 946 Cb 0.78 -0.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.13 1rj2 h THR 946 CO 0.17 0.21 0.00 0.77 0.37 0.00 0.00 175.52 177.04 1rj2 h SER 947 N 1.16 0.00 0.05 4.18 4.64 -1.21 -3.26 113.55 119.11 1rj2 h SER 947 Ca 0.33 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.49 1rj2 h SER 947 Cb -0.10 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 61.99 1rj2 h SER 947 CO -0.08 0.00 -0.81 -0.61 -0.87 0.00 0.00 176.83 174.46 1rj2 h GLN 948 N 0.00 0.11 -0.59 4.77 4.15 0.75 -3.30 115.11 121.00 1rj2 h GLN 948 Ca 0.00 -0.18 0.17 0.00 0.77 0.00 0.00 58.65 59.41 1rj2 h GLN 948 Cb 0.87 0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.60 1rj2 h GLN 948 CO 0.00 1.09 0.94 1.25 -1.93 0.00 0.00 178.83 180.18 1rj2 h LEU 949 N -0.73 0.00 -1.79 -2.39 5.85 -0.12 -3.50 115.31 112.62 1rj2 h LEU 949 Ca -0.19 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.53 1rj2 h LEU 949 Cb 1.37 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.40 1rj2 h LEU 949 CO -0.02 0.00 0.00 0.00 -0.34 0.00 0.00 178.44 178.08