#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 0.21 0.00 5.31 4.81 -2.07 -2.69 114.58 120.15 1rj2 h GLU 625 Ca 0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1rj2 h GLU 625 Cb 0.00 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.33 1rj2 h GLU 625 CO 0.00 0.14 0.00 -1.91 -0.73 0.00 0.00 179.01 176.51 1rj2 n GLU 626 N -5.16 0.00 -0.12 1.92 4.07 -1.26 -3.06 120.64 117.04 1rj2 n GLU 626 Ca 0.30 0.43 0.02 0.00 -0.06 0.00 0.00 57.16 57.85 1rj2 n GLU 626 Cb 0.95 -1.38 0.04 0.00 -0.06 0.00 0.00 31.44 30.99 1rj2 n GLU 626 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 1rj2 n GLU 627 N -1.73 -0.03 0.00 5.31 2.13 -1.02 -0.64 120.64 124.65 1rj2 n GLU 627 Ca 0.00 0.50 0.00 0.00 0.66 0.00 0.00 57.16 58.32 1rj2 n GLU 627 Cb 0.00 -0.74 0.00 0.00 0.27 0.00 0.00 31.44 30.97 1rj2 n GLU 627 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 1rj2 n SER 628 N -4.51 0.00 -0.32 4.31 7.64 -1.17 -1.52 113.62 118.05 1rj2 n SER 628 Ca 0.05 0.60 -0.05 0.00 1.01 0.00 0.00 58.87 60.48 1rj2 n SER 628 Cb 0.16 -0.10 -0.03 0.00 -1.01 0.00 0.00 64.21 63.23 1rj2 n SER 628 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1rj2 n LEU 629 N -1.20 -0.68 -0.30 -3.43 4.77 0.18 0.12 117.00 116.47 1rj2 n LEU 629 Ca 0.00 1.38 0.11 0.00 -0.03 0.00 0.00 56.01 57.47 1rj2 n LEU 629 Cb 0.00 -0.24 0.27 0.00 -2.33 0.00 0.00 43.42 41.12 1rj2 n LEU 629 CO 0.00 -1.18 1.05 0.00 -1.33 0.00 0.00 177.39 175.93 1rj2 h ALA 630 N 0.72 1.34 -0.16 -1.18 0.00 -1.36 1.09 119.26 119.70 1rj2 h ALA 630 Ca 0.20 0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.21 1rj2 h ALA 630 Cb 0.39 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1rj2 h ALA 630 CO -0.76 -0.27 -0.03 0.82 0.00 0.00 0.00 179.25 179.02 1rj2 h ILE 631 N 0.45 1.28 -0.29 0.00 1.08 0.21 -1.54 117.51 118.69 1rj2 h ILE 631 Ca 0.52 -0.95 -0.03 0.00 -0.39 0.00 0.00 64.86 64.01 1rj2 h ILE 631 Cb 0.90 1.58 -0.01 0.00 -3.07 0.00 0.00 36.82 36.22 1rj2 h ILE 631 CO -0.48 0.28 0.07 -0.07 -0.69 0.00 0.00 178.15 177.26 1rj2 h LEU 632 N 0.02 0.44 -1.64 1.44 3.38 0.12 -0.96 115.31 118.10 1rj2 h LEU 632 Ca 0.04 -0.23 0.05 0.00 0.09 0.00 0.00 57.88 57.83 1rj2 h LEU 632 Cb 0.44 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 1rj2 h LEU 632 CO 0.01 0.56 0.32 0.03 0.09 0.00 0.00 178.44 179.46 1rj2 h ARG 633 N 0.30 0.43 -0.07 1.13 3.08 0.11 0.55 114.38 119.92 1rj2 h ARG 633 Ca 0.09 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.11 1rj2 h ARG 633 Cb 0.29 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.24 1rj2 h ARG 633 CO 0.00 0.29 0.03 -0.09 -1.07 0.00 0.00 179.97 179.12 1rj2 h ARG 634 N 0.44 0.10 -0.09 0.04 9.65 -0.46 0.69 114.38 124.75 1rj2 h ARG 634 Ca 0.21 -0.02 0.01 0.00 -1.10 0.00 0.00 59.98 59.08 1rj2 h ARG 634 Cb 0.26 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.82 1rj2 h ARG 634 CO -0.05 0.22 0.04 0.45 2.80 0.00 0.00 179.97 183.43 1rj2 h HIS 635 N -0.05 0.08 -0.93 2.20 3.86 0.57 1.30 115.15 122.19 1rj2 h HIS 635 Ca 0.02 0.00 0.04 0.00 -1.16 0.00 0.00 60.37 59.27 1rj2 h HIS 635 Cb 0.16 -0.02 -0.05 0.00 1.06 0.00 0.00 27.41 28.55 1rj2 h HIS 635 CO -0.02 0.05 0.61 0.28 0.86 0.00 0.00 177.93 179.71 1rj2 h VAL 636 N 0.10 1.16 0.11 2.45 2.07 0.14 0.18 116.25 122.46 1rj2 h VAL 636 Ca 0.04 -0.40 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 1rj2 h VAL 636 Cb 0.01 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 29.67 1rj2 h VAL 636 CO -0.03 0.21 -0.05 -0.03 0.02 0.00 0.00 177.57 177.69 1rj2 h MET 637 N 1.17 -0.14 -0.77 1.57 -1.53 0.19 0.19 114.93 115.61 1rj2 h MET 637 Ca 0.37 0.01 0.04 0.00 -3.44 0.00 0.00 59.70 56.68 1rj2 h MET 637 Cb 0.01 0.03 -0.05 0.00 -0.55 0.00 0.00 31.60 31.05 1rj2 h MET 637 CO -0.11 0.01 0.51 -0.91 0.14 0.00 0.00 176.91 176.54 1rj2 h ASN 638 N -0.26 0.78 0.02 1.39 2.35 0.26 -0.93 115.58 119.19 1rj2 h ASN 638 Ca -0.02 -0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.56 1rj2 h ASN 638 Cb 0.22 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.41 1rj2 h ASN 638 CO 0.02 0.53 -0.61 -0.08 -1.65 0.00 0.00 177.43 175.65 1rj2 h GLU 639 N 0.90 0.59 -0.38 0.81 4.81 -0.37 0.76 114.58 121.70 1rj2 h GLU 639 Ca 0.32 -0.40 -0.02 0.00 -0.13 0.00 0.00 59.36 59.13 1rj2 h GLU 639 Cb 0.11 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 1rj2 h GLU 639 CO -0.10 1.02 0.17 1.25 -0.73 0.00 0.00 179.01 180.62 1rj2 h LEU 640 N 0.44 0.50 0.03 1.64 5.85 -0.27 -1.41 115.31 122.09 1rj2 h LEU 640 Ca -0.01 -0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.57 1rj2 h LEU 640 Cb 1.18 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.08 1rj2 h LEU 640 CO 0.12 0.50 -0.01 -0.07 -0.34 0.00 0.00 178.44 178.64 1rj2 h LEU 641 N 0.47 -0.03 0.55 2.25 4.07 -1.11 -2.37 115.31 119.14 1rj2 h LEU 641 Ca 0.13 -0.39 -0.02 0.00 0.08 0.00 0.00 57.88 57.68 1rj2 h LEU 641 Cb 0.14 0.01 -0.01 0.00 1.08 0.00 0.00 40.66 41.88 1rj2 h LEU 641 CO -0.01 0.38 -0.36 0.44 -1.08 0.00 0.00 178.44 177.80 1rj2 h ASP 642 N -0.44 -0.93 -0.55 -0.43 3.32 -0.84 -1.23 116.42 115.32 1rj2 h ASP 642 Ca -0.00 0.06 0.16 0.00 0.02 0.00 0.00 57.03 57.26 1rj2 h ASP 642 Cb 0.42 0.28 -0.02 0.00 0.22 0.00 0.00 39.33 40.22 1rj2 h ASP 642 CO 0.01 -0.54 0.60 0.71 -1.72 0.00 0.00 179.24 178.30 1rj2 h THR 643 N -0.86 0.29 0.43 0.35 1.35 -1.37 -1.05 112.91 112.06 1rj2 h THR 643 Ca -0.07 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.77 1rj2 h THR 643 Cb 0.70 0.52 0.00 0.00 -1.73 0.00 0.00 68.15 67.64 1rj2 h THR 643 CO 0.06 0.00 -0.21 -0.08 -0.25 0.00 0.00 175.52 175.04 1rj2 h GLU 644 N 0.00 -0.56 -0.63 4.72 4.57 -0.70 0.20 114.58 122.18 1rj2 h GLU 644 Ca 0.26 0.04 0.10 0.00 -1.18 0.00 0.00 59.36 58.58 1rj2 h GLU 644 Cb 1.46 0.13 -0.08 0.00 -0.16 0.00 0.00 28.75 30.10 1rj2 h GLU 644 CO -0.00 -0.37 0.23 0.00 -1.18 0.00 0.00 179.01 177.68 1rj2 h ARG 645 N -0.74 0.39 -0.62 1.92 3.08 -0.33 0.43 114.38 118.50 1rj2 h ARG 645 Ca -0.06 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 59.99 1rj2 h ARG 645 Cb 0.45 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.38 1rj2 h ARG 645 CO 0.10 0.26 0.41 0.00 -1.07 0.00 0.00 179.97 179.67 1rj2 h ALA 646 N 1.44 1.63 -0.20 0.04 0.00 -1.25 0.97 119.26 121.89 1rj2 h ALA 646 Ca 0.32 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.16 1rj2 h ALA 646 Cb 0.42 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1rj2 h ALA 646 CO -0.33 0.31 -0.02 -0.92 0.00 0.00 0.00 179.25 178.30 1rj2 h TYR 647 N 0.77 0.39 -0.52 0.00 3.20 0.29 -2.36 116.97 118.75 1rj2 h TYR 647 Ca 0.24 -0.07 -0.04 0.00 3.14 0.00 0.00 58.73 62.00 1rj2 h TYR 647 Cb 0.02 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.17 1rj2 h TYR 647 CO -0.00 0.57 0.16 0.28 -1.64 0.00 0.00 178.16 177.53 1rj2 h VAL 648 N 0.10 1.21 -0.21 1.81 2.07 0.48 -2.14 116.25 119.57 1rj2 h VAL 648 Ca 0.05 -0.72 -0.10 0.00 0.82 0.00 0.00 66.70 66.75 1rj2 h VAL 648 Cb 0.43 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 1rj2 h VAL 648 CO 0.01 0.27 -0.31 -0.33 0.02 0.00 0.00 177.57 177.24 1rj2 h GLU 649 N 0.76 0.42 -0.24 1.57 5.08 -0.78 -2.13 114.58 119.26 1rj2 h GLU 649 Ca 0.17 -0.17 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 1rj2 h GLU 649 Cb 0.23 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1rj2 h GLU 649 CO -0.01 0.69 -0.22 0.93 -1.00 0.00 0.00 179.01 179.40 1rj2 h GLU 650 N 0.37 0.45 0.09 2.33 5.08 -0.84 -1.65 114.58 120.39 1rj2 h GLU 650 Ca 0.05 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1rj2 h GLU 650 Cb 0.73 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.95 1rj2 h GLU 650 CO 0.06 0.64 -0.04 -0.07 -1.00 0.00 0.00 179.01 178.60 1rj2 h LEU 651 N 0.40 -0.10 -1.87 1.33 3.38 -1.23 -3.04 115.31 114.19 1rj2 h LEU 651 Ca 0.06 -0.49 0.07 0.00 0.09 0.00 0.00 57.88 57.62 1rj2 h LEU 651 Cb 0.61 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 1rj2 h LEU 651 CO 0.04 0.56 0.24 0.25 0.09 0.00 0.00 178.44 179.63 1rj2 h LEU 652 N -0.88 0.14 -0.76 1.67 5.85 -1.42 0.97 115.31 120.88 1rj2 h LEU 652 Ca -0.01 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.58 1rj2 h LEU 652 Cb 0.58 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 1rj2 h LEU 652 CO 0.02 0.09 -0.57 0.00 -0.34 0.00 0.00 178.44 177.64 1rj2 n VAL 654 N -3.88 1.31 1.00 0.00 0.31 0.42 -0.35 118.33 117.14 1rj2 n VAL 654 Ca -0.02 -0.73 0.11 0.00 -0.01 0.00 0.00 64.34 63.69 1rj2 n VAL 654 Cb 0.59 -0.80 0.55 0.00 -0.91 0.00 0.00 33.84 33.26 1rj2 n VAL 654 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1rj2 n LEU 655 N -2.91 0.00 0.00 7.52 4.77 0.31 -2.11 117.00 124.58 1rj2 n LEU 655 Ca -0.13 0.33 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 1rj2 n LEU 655 Cb 0.92 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.68 1rj2 n LEU 655 CO 0.44 -0.08 -0.27 -0.62 -1.33 0.00 0.00 177.39 175.53 1rj2 n GLU 656 N -1.33 0.00 0.00 3.23 1.02 -1.18 -3.60 120.64 118.78 1rj2 n GLU 656 Ca 0.10 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.32 1rj2 n GLU 656 Cb 0.20 -0.62 0.45 0.00 -0.02 0.00 0.00 31.44 31.45 1rj2 n GLU 656 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1rj2 n GLY 657 N 2.49 -0.75 1.81 0.62 0.00 0.52 -3.07 105.19 106.81 1rj2 n GLY 657 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1rj2 n GLY 657 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1rj2 n TYR 658 N -1.20 -1.67 0.23 1.61 4.02 -0.90 -4.80 117.16 114.45 1rj2 n TYR 658 Ca 0.10 0.30 0.07 0.00 -0.01 0.00 0.00 57.90 58.35 1rj2 n TYR 658 Cb 0.11 0.47 0.55 0.00 -0.02 0.00 0.00 39.34 40.45 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 1.60 0.00 -0.72 0.00 -1.63 -1.81 119.26 116.71 1rj2 h ALA 659 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1rj2 h ALA 659 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1rj2 h ALA 659 CO 0.00 0.22 -0.07 0.00 0.00 0.00 0.00 179.25 179.40 1rj2 n ALA 660 N -2.46 2.40 0.01 0.00 0.00 -1.18 -3.10 120.51 116.20 1rj2 n ALA 660 Ca -0.02 -0.08 0.01 0.00 0.00 0.00 0.00 53.44 53.34 1rj2 n ALA 660 Cb 0.25 -1.43 0.18 0.00 0.00 0.00 0.00 19.45 18.45 1rj2 n ALA 660 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1rj2 n GLU 661 N -1.98 2.72 0.00 0.00 -0.58 -0.68 -1.79 120.64 118.32 1rj2 n GLU 661 Ca 0.06 -1.57 0.00 0.00 -0.42 0.00 0.00 57.16 55.22 1rj2 n GLU 661 Cb 0.40 -1.83 0.00 0.00 -0.57 0.00 0.00 31.44 29.44 1rj2 n GLU 661 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 1rj2 n MET 662 N 0.19 2.93 -0.01 3.49 2.81 -1.18 -4.68 117.12 120.68 1rj2 n MET 662 Ca 0.17 0.00 0.08 0.00 -1.81 0.00 0.00 57.70 56.14 1rj2 n MET 662 Cb 0.80 -0.33 -0.12 0.00 -0.71 0.00 0.00 33.22 32.87 1rj2 n MET 662 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1rj2 n ASP 663 N -0.42 1.24 -4.61 7.83 8.00 -1.16 -4.91 116.55 122.52 1rj2 n ASP 663 Ca 0.00 -0.16 -0.43 0.00 0.71 0.00 0.00 54.79 54.91 1rj2 n ASP 663 Cb 0.00 1.60 -0.02 0.00 -0.02 0.00 0.00 41.12 42.68 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 -3.59 6.49 0.41 -2.24 3.04 -0.74 -4.90 114.94 113.41 1rj2 s ASN 664 Ca -0.04 0.90 0.13 0.00 0.04 0.00 0.00 52.86 53.89 1rj2 s ASN 664 Cb 0.10 -2.54 0.98 0.00 -1.54 0.00 0.00 41.25 38.25 1rj2 s ASN 664 CO 0.66 -1.29 1.94 -0.65 -3.04 0.00 0.00 177.10 174.72 1rj2 h PRO 665 N 10.00 0.48 -0.41 0.43 0.11 -1.91 -2.15 132.00 138.56 1rj2 h PRO 665 Ca -0.26 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.81 1rj2 h PRO 665 Cb 1.10 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.08 1rj2 h PRO 665 CO 1.07 0.31 0.23 -0.07 -0.21 0.00 0.00 178.00 179.34 1rj2 h LEU 666 N 0.49 0.50 -3.92 2.35 3.38 -1.99 -2.85 115.31 113.28 1rj2 h LEU 666 Ca 0.34 -0.07 -0.32 0.00 0.09 0.00 0.00 57.88 57.92 1rj2 h LEU 666 Cb 0.65 -0.13 -0.12 0.00 0.09 0.00 0.00 40.66 41.15 1rj2 h LEU 666 CO -0.11 0.42 0.19 0.23 0.09 0.00 0.00 178.44 179.26 1rj2 n MET 667 N -4.75 1.97 0.00 1.13 2.81 -0.81 -4.07 117.12 113.40 1rj2 n MET 667 Ca 0.00 -1.54 0.07 0.00 -1.81 0.00 0.00 57.70 54.43 1rj2 n MET 667 Cb 0.07 -1.81 -0.04 0.00 -0.71 0.00 0.00 33.22 30.72 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 1.13 3.57 -0.01 3.04 0.00 -1.08 -4.26 120.51 122.90 1rj2 n ALA 668 Ca 0.36 -0.48 -0.17 0.00 0.00 0.00 0.00 53.44 53.15 1rj2 n ALA 668 Cb 0.63 -0.56 -0.09 0.00 0.00 0.00 0.00 19.45 19.43 1rj2 n ALA 668 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 1rj2 h HIS 669 N 0.89 0.79 0.05 0.00 2.07 -1.83 -3.35 115.15 113.77 1rj2 h HIS 669 Ca 0.00 -0.37 -0.07 0.00 -2.85 0.00 0.00 60.37 57.08 1rj2 h HIS 669 Cb 0.45 -0.11 0.01 0.00 2.57 0.00 0.00 27.41 30.32 1rj2 h HIS 669 CO 0.00 1.18 -0.29 -0.07 -3.07 0.00 0.00 177.93 175.68 1rj2 h LEU 670 N 0.19 0.18 -9.78 6.12 3.38 -1.91 -3.47 115.31 110.01 1rj2 h LEU 670 Ca -0.06 -0.95 -0.50 0.00 0.09 0.00 0.00 57.88 56.46 1rj2 h LEU 670 Cb 1.29 -0.06 0.22 0.00 0.09 0.00 0.00 40.66 42.20 1rj2 h LEU 670 CO 0.13 1.12 -0.68 0.00 0.09 0.00 0.00 178.44 179.09 1rj2 n ILE 671 N -4.44 0.00 -3.92 1.22 3.06 -1.26 -4.74 119.36 109.27 1rj2 n ILE 671 Ca -0.11 -0.23 -0.24 0.00 -2.50 0.00 0.00 62.75 59.67 1rj2 n ILE 671 Cb 0.59 -0.64 -0.04 0.00 0.54 0.00 0.00 39.64 40.08 1rj2 n ILE 671 CO 0.00 0.00 0.00 -0.55 -2.50 0.00 0.00 176.55 173.50 1rj2 s SER 672 N -2.00 4.65 0.00 9.51 0.15 -1.26 -4.98 113.70 119.77 1rj2 s SER 672 Ca 0.57 -1.06 0.00 0.00 0.70 0.00 0.00 55.95 56.16 1rj2 s SER 672 Cb -0.18 -0.20 0.00 0.00 -1.71 0.00 0.00 66.02 63.92 1rj2 s SER 672 CO 0.67 -0.75 0.00 0.41 1.20 0.00 0.00 173.24 174.76 1rj2 n THR 673 N -1.48 0.00 -0.24 6.45 -1.04 -1.26 -3.80 114.28 112.92 1rj2 n THR 673 Ca -0.01 0.00 0.25 0.00 -2.04 0.00 0.00 64.05 62.26 1rj2 n THR 673 Cb 0.64 -0.01 0.63 0.00 -1.82 0.00 0.00 70.33 69.77 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 0.47 -1.81 3.41 0.00 -2.00 0.93 103.07 104.07 1rj2 h GLY 674 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.24 1rj2 h GLY 674 CO 0.00 -0.03 0.00 1.04 0.00 0.00 0.00 176.54 177.55 1rj2 n LEU 675 N -4.39 2.33 0.00 3.11 4.32 -1.26 -3.30 117.00 117.81 1rj2 n LEU 675 Ca 0.21 -1.17 0.00 0.00 -0.02 0.00 0.00 56.01 55.03 1rj2 n LEU 675 Cb 0.90 -0.44 0.00 0.00 -1.62 0.00 0.00 43.42 42.25 1rj2 n LEU 675 CO 0.34 0.40 -0.30 1.67 -1.22 0.00 0.00 177.39 178.28 1rj2 n GLN 676 N 0.46 0.00 -0.78 3.23 7.27 0.32 -4.58 117.38 123.30 1rj2 n GLN 676 Ca 0.00 0.00 -0.08 0.00 0.07 0.00 0.00 57.00 56.99 1rj2 n GLN 676 Cb 0.40 -0.32 -0.11 0.00 2.41 0.00 0.00 30.24 32.63 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 -2.78 4.87 -1.24 1.69 5.03 -1.20 -3.18 115.26 118.45 1rj2 n ASN 677 Ca 0.00 -2.37 0.03 0.00 0.87 0.00 0.00 54.58 53.11 1rj2 n ASN 677 Cb 0.30 -1.23 0.03 0.00 -1.02 0.00 0.00 39.78 37.86 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 2.23 0.08 0.24 3.52 5.02 -1.26 -4.82 118.16 123.18 1rj2 n LYS 678 Ca 0.28 -1.85 0.13 0.00 -2.02 0.00 0.00 58.31 54.84 1rj2 n LYS 678 Cb 0.73 -0.19 0.45 0.00 -0.02 0.00 0.00 35.03 36.00 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 0.78 0.00 0.00 1.97 3.64 -1.94 0.53 116.57 121.55 1rj2 h LYS 679 Ca -0.17 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.06 1rj2 h LYS 679 Cb 1.75 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.55 1rj2 h LYS 679 CO 0.07 0.08 -0.90 -0.91 -2.27 0.00 0.00 179.45 175.52 1rj2 h ASN 680 N 0.00 0.00 0.10 4.20 2.35 -1.87 -2.13 115.58 118.23 1rj2 h ASN 680 Ca -0.00 0.00 -0.36 0.00 -0.55 0.00 0.00 56.30 55.39 1rj2 h ASN 680 Cb 0.76 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 39.06 1rj2 h ASN 680 CO 0.01 0.63 -2.25 -0.38 -1.65 0.00 0.00 177.43 173.79 1rj2 n ILE 681 N -3.14 1.46 0.02 2.81 -0.00 -1.06 -2.02 119.36 117.43 1rj2 n ILE 681 Ca -0.03 -0.80 -0.08 0.00 -0.00 0.00 0.00 62.75 61.85 1rj2 n ILE 681 Cb 0.82 -0.75 -0.13 0.00 -0.00 0.00 0.00 39.64 39.58 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 0.00 0.00 -0.72 1.39 5.85 -0.07 -3.35 115.31 118.41 1rj2 h LEU 682 Ca -0.50 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.22 1rj2 h LEU 682 Cb 2.15 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.18 1rj2 h LEU 682 CO 0.03 0.99 -0.23 0.49 -0.34 0.00 0.00 178.44 179.38 1rj2 n PHE 683 N -3.20 0.00 -2.89 1.25 3.01 -0.80 -4.87 117.46 109.96 1rj2 n PHE 683 Ca -0.08 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.38 1rj2 n PHE 683 Cb 0.99 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.46 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 0.93 0.51 0.35 1.37 0.00 -0.86 -1.61 105.19 105.89 1rj2 n GLY 684 Ca 0.04 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.26 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 -3.42 0.51 -0.33 1.61 2.04 -1.26 -4.40 115.26 110.01 1rj2 n ASN 685 Ca 0.00 -1.47 0.28 0.00 -0.44 0.00 0.00 54.58 52.96 1rj2 n ASN 685 Cb 0.00 -0.26 0.48 0.00 -2.53 0.00 0.00 39.78 37.47 1rj2 n ASN 685 CO 0.00 0.00 0.00 0.80 -0.44 0.00 0.00 177.26 177.62 1rj2 n MET 686 N -0.06 -0.03 0.37 -3.83 1.56 -0.63 0.05 117.12 114.55 1rj2 n MET 686 Ca 0.00 0.89 -0.15 0.00 -0.27 0.00 0.00 57.70 58.17 1rj2 n MET 686 Cb 0.13 -1.75 -0.07 0.00 2.15 0.00 0.00 33.22 33.68 1rj2 n MET 686 CO 0.00 0.00 0.00 1.49 -0.73 0.00 0.00 175.97 176.73 1rj2 h GLU 687 N 0.00 -0.93 -0.98 2.12 4.81 -1.83 -2.49 114.58 115.28 1rj2 h GLU 687 Ca 0.62 0.06 0.28 0.00 -0.13 0.00 0.00 59.36 60.19 1rj2 h GLU 687 Cb 1.99 0.21 -0.14 0.00 0.63 0.00 0.00 28.75 31.44 1rj2 h GLU 687 CO -0.34 -0.62 0.54 1.49 -0.73 0.00 0.00 179.01 179.35 1rj2 h GLU 688 N -1.23 0.41 0.43 1.92 4.81 -0.75 -0.67 114.58 119.50 1rj2 h GLU 688 Ca -0.10 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.09 1rj2 h GLU 688 Cb 0.74 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.02 1rj2 h GLU 688 CO 0.16 0.27 -0.31 0.82 -0.73 0.00 0.00 179.01 179.23 1rj2 h ILE 689 N 0.43 0.00 0.00 2.32 2.04 -1.39 -2.68 117.51 118.23 1rj2 h ILE 689 Ca 0.67 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.53 1rj2 h ILE 689 Cb 1.40 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.48 1rj2 h ILE 689 CO -0.55 0.00 0.00 0.00 0.00 0.00 0.00 178.15 177.60 1rj2 n TYR 690 N -4.26 0.00 -0.32 1.37 9.36 -0.28 -0.06 117.16 122.97 1rj2 n TYR 690 Ca -0.09 0.00 0.14 0.00 3.32 0.00 0.00 57.90 61.27 1rj2 n TYR 690 Cb 0.30 -0.27 0.27 0.00 -0.63 0.00 0.00 39.34 39.01 1rj2 n TYR 690 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 1rj2 n HIS 691 N -2.24 0.58 0.07 2.98 8.25 -1.09 -1.57 115.22 122.21 1rj2 n HIS 691 Ca 0.00 1.12 -0.10 0.00 -0.26 0.00 0.00 57.72 58.48 1rj2 n HIS 691 Cb 0.00 -1.19 -0.06 0.00 1.12 0.00 0.00 29.99 29.86 1rj2 n HIS 691 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 1rj2 h PHE 692 N 0.00 -0.92 -0.02 4.41 3.57 -0.11 0.63 116.94 124.50 1rj2 h PHE 692 Ca 0.56 0.02 0.03 0.00 3.53 0.00 0.00 57.97 62.12 1rj2 h PHE 692 Cb 1.15 0.39 -0.05 0.00 2.79 0.00 0.00 35.95 40.24 1rj2 h PHE 692 CO -0.48 -0.36 -0.24 0.45 -2.23 0.00 0.00 178.31 175.45 1rj2 h HIS 693 N -0.45 -0.66 0.23 0.41 3.86 -1.05 0.35 115.15 117.85 1rj2 h HIS 693 Ca -0.00 0.02 0.01 0.00 -1.16 0.00 0.00 60.37 59.24 1rj2 h HIS 693 Cb 0.45 0.29 -0.02 0.00 1.06 0.00 0.00 27.41 29.19 1rj2 h HIS 693 CO -0.39 -0.33 -0.27 -0.97 0.86 0.00 0.00 177.93 176.82 1rj2 h ASN 694 N -0.37 -0.75 1.01 2.45 -0.73 -1.20 0.26 115.58 116.25 1rj2 h ASN 694 Ca 0.07 0.07 -0.15 0.00 1.87 0.00 0.00 56.30 58.16 1rj2 h ASN 694 Cb 0.46 0.26 -0.02 0.00 0.27 0.00 0.00 38.32 39.30 1rj2 h ASN 694 CO -0.23 -0.39 -0.70 0.03 -0.37 0.00 0.00 177.43 175.77 1rj2 h ARG 695 N -0.56 0.00 0.00 6.67 2.47 0.37 -3.42 114.38 119.92 1rj2 h ARG 695 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1rj2 h ARG 695 Cb 0.53 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.85 1rj2 h ARG 695 CO -0.08 0.70 0.00 -0.89 0.56 0.00 0.00 179.97 180.26 1rj2 n ILE 696 N -3.44 0.00 -0.25 2.04 -0.00 0.12 -4.83 119.36 113.00 1rj2 n ILE 696 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 62.75 62.69 1rj2 n ILE 696 Cb 0.75 -0.40 -0.06 0.00 -0.00 0.00 0.00 39.64 39.94 1rj2 n ILE 696 CO 0.00 0.00 0.00 0.33 -0.00 0.00 0.00 176.55 176.88 1rj2 n PHE 697 N -1.13 -0.26 -0.35 1.39 7.35 -1.04 -0.63 117.46 122.78 1rj2 n PHE 697 Ca 0.00 0.74 0.17 0.00 -0.76 0.00 0.00 57.45 57.60 1rj2 n PHE 697 Cb 0.00 -0.53 0.37 0.00 0.35 0.00 0.00 39.48 39.67 1rj2 n PHE 697 CO 0.00 0.00 0.00 1.25 -0.76 0.00 0.00 176.76 177.25 1rj2 h LEU 698 N 0.00 0.70 0.23 -2.13 6.46 -0.72 0.26 115.31 120.10 1rj2 h LEU 698 Ca 0.09 0.13 -0.01 0.00 -0.12 0.00 0.00 57.88 57.97 1rj2 h LEU 698 Cb 0.24 0.01 0.00 0.00 -0.73 0.00 0.00 40.66 40.19 1rj2 h LEU 698 CO -0.56 0.14 -0.11 0.03 -0.62 0.00 0.00 178.44 177.33 1rj2 h ARG 699 N 0.62 -0.29 0.00 1.25 3.08 -1.04 -1.71 114.38 116.29 1rj2 h ARG 699 Ca 0.63 0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.67 1rj2 h ARG 699 Cb 1.15 0.07 -0.00 0.00 0.08 0.00 0.00 29.97 31.27 1rj2 h ARG 699 CO -0.46 0.01 -0.15 0.93 -1.07 0.00 0.00 179.97 179.23 1rj2 h GLU 700 N -0.60 0.00 -0.36 0.04 5.08 -0.27 -1.35 114.58 117.12 1rj2 h GLU 700 Ca -0.03 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.18 1rj2 h GLU 700 Cb 0.44 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 1rj2 h GLU 700 CO 0.05 0.15 -0.38 -0.07 -1.00 0.00 0.00 179.01 177.76 1rj2 h LEU 701 N 0.00 0.91 -1.00 1.33 3.38 -0.40 -2.75 115.31 116.79 1rj2 h LEU 701 Ca -0.00 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1rj2 h LEU 701 Cb 0.32 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1rj2 h LEU 701 CO 0.02 1.18 0.00 -0.33 0.09 0.00 0.00 178.44 179.40 1rj2 h GLU 702 N 0.70 0.00 0.61 1.13 5.08 -0.31 -3.25 114.58 118.54 1rj2 h GLU 702 Ca 0.06 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.39 1rj2 h GLU 702 Cb 0.96 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.21 1rj2 h GLU 702 CO 0.09 0.00 -0.29 0.66 -1.00 0.00 0.00 179.01 178.47 1rj2 h SER 703 N 0.00 -0.69 0.00 1.42 4.64 -1.06 -3.02 113.55 114.84 1rj2 h SER 703 Ca 0.00 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1rj2 h SER 703 Cb 0.57 0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 1rj2 h SER 703 CO 0.00 -0.32 0.00 0.00 -0.87 0.00 0.00 176.83 175.64 1rj2 h ILE 705 N 0.00 0.57 -0.47 0.00 -0.00 -1.56 0.79 117.51 116.85 1rj2 h ILE 705 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.86 1rj2 h ILE 705 Cb 0.20 0.74 0.00 0.00 -0.00 0.00 0.00 36.82 37.76 1rj2 h ILE 705 CO 0.00 0.00 0.00 0.47 -0.00 0.00 0.00 178.15 178.62 1rj2 n ASP 706 N -4.05 4.65 -2.70 2.19 8.00 -1.25 -4.42 116.55 118.97 1rj2 n ASP 706 Ca 0.07 -2.68 -0.06 0.00 0.71 0.00 0.00 54.79 52.83 1rj2 n ASP 706 Cb 0.53 -0.63 0.06 0.00 -0.02 0.00 0.00 41.12 41.06 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 3.51 0.84 -0.25 0.00 0.13 -1.68 -2.96 132.00 131.59 1rj2 h PRO 708 Ca -0.20 -0.07 0.07 0.00 -0.87 0.00 0.00 66.00 64.93 1rj2 h PRO 708 Cb 1.13 -0.18 -0.01 0.00 0.13 0.00 0.00 31.00 32.08 1rj2 h PRO 708 CO 0.02 0.59 0.81 0.93 -0.23 0.00 0.00 178.00 180.13 1rj2 h GLU 709 N 0.84 0.00 -0.21 0.86 3.07 -1.89 1.60 114.58 118.86 1rj2 h GLU 709 Ca 0.22 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.08 1rj2 h GLU 709 Cb -0.04 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.87 1rj2 h GLU 709 CO -0.04 0.00 0.00 1.28 -1.40 0.00 0.00 179.01 178.85 1rj2 n LEU 710 N -2.87 2.75 0.15 1.33 4.77 -1.12 -4.28 117.00 117.73 1rj2 n LEU 710 Ca 0.05 -1.37 0.11 0.00 -0.03 0.00 0.00 56.01 54.76 1rj2 n LEU 710 Cb 0.90 -0.13 0.55 0.00 -2.33 0.00 0.00 43.42 42.41 1rj2 n LEU 710 CO 0.11 0.58 0.83 0.55 -1.33 0.00 0.00 177.39 178.13 1rj2 n VAL 711 N 0.96 1.01 0.00 4.08 3.14 0.55 -2.07 118.33 126.00 1rj2 n VAL 711 Ca 0.12 0.59 -0.10 0.00 -2.96 0.00 0.00 64.34 62.00 1rj2 n VAL 711 Cb 0.45 -1.57 -0.04 0.00 -1.06 0.00 0.00 33.84 31.62 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 0.62 0.02 -0.82 7.55 0.00 -1.77 -2.19 103.07 106.47 1rj2 h GLY 712 Ca 0.00 0.09 0.22 0.00 0.00 0.00 0.00 47.33 47.64 1rj2 h GLY 712 CO 0.00 -0.09 -0.08 -0.09 0.00 0.00 0.00 176.54 176.28 1rj2 h ARG 713 N -0.08 0.02 -0.88 4.80 9.65 -1.68 -0.05 114.38 126.16 1rj2 h ARG 713 Ca 0.07 -0.00 0.18 0.00 -1.10 0.00 0.00 59.98 59.13 1rj2 h ARG 713 Cb 0.18 -0.01 -0.17 0.00 -1.39 0.00 0.00 29.97 28.59 1rj2 h ARG 713 CO -0.16 0.02 -0.20 0.00 2.80 0.00 0.00 179.97 182.42 1rj2 h PHE 715 N 0.00 0.57 -0.17 0.00 -1.00 -1.10 -3.21 116.94 112.02 1rj2 h PHE 715 Ca 0.43 -0.31 -0.02 0.00 2.81 0.00 0.00 57.97 60.88 1rj2 h PHE 715 Cb 0.67 -0.06 -0.01 0.00 3.61 0.00 0.00 35.95 40.16 1rj2 h PHE 715 CO -0.67 1.13 0.05 -0.07 -1.61 0.00 0.00 178.31 177.14 1rj2 h LEU 716 N 0.21 0.26 0.00 1.54 3.38 -0.39 0.17 115.31 120.48 1rj2 h LEU 716 Ca -0.08 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1rj2 h LEU 716 Cb 1.57 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.25 1rj2 h LEU 716 CO 0.16 0.41 0.00 -0.62 0.09 0.00 0.00 178.44 178.48 1rj2 n GLU 717 N -4.81 0.52 -0.14 1.13 1.02 0.22 -2.87 120.64 115.71 1rj2 n GLU 717 Ca -0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 1rj2 n GLU 717 Cb 0.16 -1.22 0.00 0.00 -0.02 0.00 0.00 31.44 30.36 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 -0.72 0.00 -0.16 3.49 5.12 -0.83 -4.93 116.66 118.63 1rj2 n ARG 718 Ca 0.05 -0.54 -0.02 0.00 -1.93 0.00 0.00 57.85 55.41 1rj2 n ARG 718 Cb 0.02 -0.42 0.06 0.00 -1.16 0.00 0.00 32.46 30.96 1rj2 n ARG 718 CO 0.00 0.00 0.00 1.98 -1.93 0.00 0.00 177.63 177.68 1rj2 h MET 719 N 0.00 0.12 -0.04 5.56 4.05 -0.54 0.17 114.93 124.24 1rj2 h MET 719 Ca 0.00 -0.01 0.01 0.00 -0.28 0.00 0.00 59.70 59.42 1rj2 h MET 719 Cb 1.10 -0.03 -0.00 0.00 -0.80 0.00 0.00 31.60 31.87 1rj2 h MET 719 CO 0.00 0.08 0.06 1.49 0.23 0.00 0.00 176.91 178.77 1rj2 h GLU 720 N 0.12 0.00 0.00 0.39 4.81 -1.87 0.87 114.58 118.90 1rj2 h GLU 720 Ca 0.25 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.48 1rj2 h GLU 720 Cb 0.38 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.76 1rj2 h GLU 720 CO -0.42 0.00 0.00 0.93 -0.73 0.00 0.00 179.01 178.79 1rj2 h GLU 721 N 0.00 0.00 0.00 1.92 3.07 -1.03 -3.04 114.58 115.50 1rj2 h GLU 721 Ca 0.02 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.88 1rj2 h GLU 721 Cb 0.14 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.05 1rj2 h GLU 721 CO -0.00 0.00 -0.38 1.19 -1.40 0.00 0.00 179.01 178.42 1rj2 n PHE 722 N -2.76 0.13 -0.56 4.33 3.01 0.30 -3.96 117.46 117.94 1rj2 n PHE 722 Ca 0.03 0.04 0.46 0.00 1.01 0.00 0.00 57.45 58.98 1rj2 n PHE 722 Cb 0.36 -0.40 0.78 0.00 -0.01 0.00 0.00 39.48 40.21 1rj2 n PHE 722 CO 0.00 0.00 0.00 1.96 1.01 0.00 0.00 176.76 179.73 1rj2 h GLN 723 N 0.00 0.01 -1.06 -1.08 4.20 -1.58 0.50 115.11 116.10 1rj2 h GLN 723 Ca 0.00 -0.00 0.28 0.00 0.06 0.00 0.00 58.65 58.99 1rj2 h GLN 723 Cb 0.55 -0.00 -0.08 0.00 0.30 0.00 0.00 27.48 28.25 1rj2 h GLN 723 CO 0.00 0.01 0.71 -0.84 -0.67 0.00 0.00 178.83 178.04 1rj2 h ILE 724 N 0.01 0.50 -0.25 2.54 3.07 -1.84 -0.20 117.51 121.35 1rj2 h ILE 724 Ca 0.81 -0.09 -0.17 0.00 1.55 0.00 0.00 64.86 66.96 1rj2 h ILE 724 Cb 3.18 0.20 -0.00 0.00 -0.27 0.00 0.00 36.82 39.93 1rj2 h ILE 724 CO -0.06 0.05 -0.53 1.88 -1.05 0.00 0.00 178.15 178.44 1rj2 h TYR 725 N 0.28 0.93 -0.91 0.16 -1.99 -0.32 -0.33 116.97 114.78 1rj2 h TYR 725 Ca 0.57 -0.32 0.13 0.00 2.00 0.00 0.00 58.73 61.11 1rj2 h TYR 725 Cb 1.68 -0.18 -0.09 0.00 2.00 0.00 0.00 36.73 40.15 1rj2 h TYR 725 CO -0.00 1.11 0.53 0.93 -0.00 0.00 0.00 178.16 180.72 1rj2 h GLU 726 N 0.57 0.78 0.19 4.88 5.08 -1.17 0.94 114.58 125.84 1rj2 h GLU 726 Ca 0.02 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1rj2 h GLU 726 Cb 1.11 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.19 1rj2 h GLU 726 CO 0.11 0.51 -0.09 -0.22 -1.00 0.00 0.00 179.01 178.32 1rj2 h LYS 727 N 0.80 -0.24 -0.48 2.33 3.64 -1.10 0.61 116.57 122.12 1rj2 h LYS 727 Ca 0.47 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.85 1rj2 h LYS 727 Cb 0.55 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.41 1rj2 h LYS 727 CO -0.30 -0.10 0.25 -0.92 -2.27 0.00 0.00 179.45 176.10 1rj2 h TYR 728 N -0.33 0.68 0.27 1.91 3.20 0.81 -2.73 116.97 120.77 1rj2 h TYR 728 Ca -0.03 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.81 1rj2 h TYR 728 Cb 0.25 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.31 1rj2 h TYR 728 CO -0.04 0.53 -0.13 0.00 -1.64 0.00 0.00 178.16 176.87 1rj2 n GLN 730 N -3.22 -0.06 0.04 0.00 6.02 0.20 0.12 117.38 120.48 1rj2 n GLN 730 Ca -0.04 1.35 -0.00 0.00 -0.01 0.00 0.00 57.00 58.29 1rj2 n GLN 730 Cb 0.14 -2.41 -0.07 0.00 1.02 0.00 0.00 30.24 28.92 1rj2 n GLN 730 CO 0.00 0.00 0.00 -0.97 -1.01 0.00 0.00 177.06 175.08 1rj2 h ASN 731 N 0.00 0.00 -0.98 1.08 -0.73 -1.46 -3.39 115.58 110.11 1rj2 h ASN 731 Ca 0.81 0.00 0.32 0.00 1.87 0.00 0.00 56.30 59.31 1rj2 h ASN 731 Cb 2.13 0.00 -0.17 0.00 0.27 0.00 0.00 38.32 40.55 1rj2 h ASN 731 CO -0.76 0.60 0.30 0.50 -0.37 0.00 0.00 177.43 177.70 1rj2 h LYS 732 N 0.00 0.07 -0.29 6.67 1.63 0.84 -1.10 116.57 124.39 1rj2 h LYS 732 Ca -0.14 -0.00 0.01 0.00 -0.85 0.00 0.00 60.65 59.66 1rj2 h LYS 732 Cb 1.59 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 33.18 1rj2 h LYS 732 CO 0.05 0.05 0.17 -1.00 -3.45 0.00 0.00 179.45 175.27 1rj2 h PRO 733 N 0.07 0.33 -0.79 1.90 0.13 -1.75 -2.40 132.00 129.49 1rj2 h PRO 733 Ca 0.70 -0.02 0.14 0.00 -0.87 0.00 0.00 66.00 65.95 1rj2 h PRO 733 Cb 1.63 -0.08 -0.06 0.00 0.13 0.00 0.00 31.00 32.62 1rj2 h PRO 733 CO -0.79 0.22 0.52 -0.09 -0.23 0.00 0.00 178.00 177.63 1rj2 h ARG 734 N 0.34 0.51 0.00 0.86 2.43 -1.49 0.86 114.38 117.89 1rj2 h ARG 734 Ca 0.11 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 1rj2 h ARG 734 Cb -0.00 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.43 1rj2 h ARG 734 CO -0.05 0.34 0.00 0.45 -1.51 0.00 0.00 179.97 179.20 1rj2 n SER 735 N -4.50 0.00 -0.09 -3.80 2.88 -0.92 -2.13 113.62 105.06 1rj2 n SER 735 Ca 0.15 -0.11 -0.12 0.00 -1.33 0.00 0.00 58.87 57.46 1rj2 n SER 735 Cb 0.48 -0.23 -0.10 0.00 -0.75 0.00 0.00 64.21 63.62 1rj2 n SER 735 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1rj2 n GLU 736 N -1.23 0.76 -0.29 -1.46 1.02 0.28 -3.75 120.64 115.97 1rj2 n GLU 736 Ca 0.10 0.08 -0.05 0.00 -0.02 0.00 0.00 57.16 57.27 1rj2 n GLU 736 Cb 0.13 -1.39 0.07 0.00 -0.02 0.00 0.00 31.44 30.23 1rj2 n GLU 736 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 1rj2 h SER 737 N 0.00 0.95 -0.17 1.62 0.02 -0.75 -2.57 113.55 112.64 1rj2 h SER 737 Ca -0.43 -0.07 -0.08 0.00 -0.84 0.00 0.00 61.79 60.38 1rj2 h SER 737 Cb 1.74 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 64.04 1rj2 h SER 737 CO -0.04 0.74 -0.19 0.17 -1.14 0.00 0.00 176.83 176.37 1rj2 h LEU 738 N 1.07 0.47 -1.74 5.07 8.10 -1.64 -3.12 115.31 123.52 1rj2 h LEU 738 Ca 0.28 -0.49 0.17 0.00 0.11 0.00 0.00 57.88 57.95 1rj2 h LEU 738 Cb -0.03 -0.13 -0.04 0.00 -0.44 0.00 0.00 40.66 40.02 1rj2 h LEU 738 CO -0.05 0.86 0.49 -0.25 -4.11 0.00 0.00 178.44 175.38 1rj2 h TRP 739 N 0.08 0.30 -0.35 0.17 2.91 -1.60 0.17 115.95 117.63 1rj2 h TRP 739 Ca 0.03 0.01 -0.06 0.00 1.13 0.00 0.00 58.89 59.99 1rj2 h TRP 739 Cb 0.73 -0.09 -0.02 0.00 -0.51 0.00 0.00 29.16 29.27 1rj2 h TRP 739 CO 0.08 0.11 -0.05 -0.09 -1.03 0.00 0.00 178.44 177.46 1rj2 h ARG 740 N 0.25 0.58 0.00 2.65 2.43 -1.40 -2.44 114.38 116.45 1rj2 h ARG 740 Ca 0.35 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 59.38 1rj2 h ARG 740 Cb 1.02 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.50 1rj2 h ARG 740 CO -0.08 0.64 0.00 0.94 -1.51 0.00 0.00 179.97 179.96 1rj2 n GLN 741 N -4.23 0.00 -3.44 0.20 -0.06 0.58 -4.11 117.38 106.32 1rj2 n GLN 741 Ca 0.01 0.48 -0.32 0.00 -2.00 0.00 0.00 57.00 55.17 1rj2 n GLN 741 Cb 0.29 -1.33 -0.06 0.00 -4.06 0.00 0.00 30.24 25.07 1rj2 n GLN 741 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1rj2 n SER 743 N 1.35 1.78 -1.06 0.00 3.41 -0.92 -3.78 113.62 114.40 1rj2 n SER 743 Ca 0.26 -1.96 0.05 0.00 -0.26 0.00 0.00 58.87 56.96 1rj2 n SER 743 Cb 0.38 -0.21 0.11 0.00 -0.26 0.00 0.00 64.21 64.23 1rj2 n SER 743 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1rj2 n ASP 744 N 0.46 1.35 -4.78 4.04 3.85 -1.26 -5.01 116.55 115.20 1rj2 n ASP 744 Ca 0.12 -2.94 -0.35 0.00 -0.71 0.00 0.00 54.79 50.91 1rj2 n ASP 744 Cb 0.29 -0.41 -0.01 0.00 -1.35 0.00 0.00 41.12 39.63 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 1.49 0.00 -0.18 0.00 0.11 -1.96 -2.01 132.00 129.46 1rj2 h PRO 746 Ca -0.50 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.45 1rj2 h PRO 746 Cb 1.25 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 1rj2 h PRO 746 CO 0.58 0.00 -0.57 0.35 -0.21 0.00 0.00 178.00 178.15 1rj2 h PHE 747 N 0.00 0.70 0.34 0.65 3.57 -1.92 -2.62 116.94 117.67 1rj2 h PHE 747 Ca 0.11 -0.26 -0.02 0.00 3.53 0.00 0.00 57.97 61.34 1rj2 h PHE 747 Cb 0.57 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.18 1rj2 h PHE 747 CO 0.00 0.99 -0.19 0.74 -2.23 0.00 0.00 178.31 177.63 1rj2 h PHE 748 N 0.42 -0.50 -0.78 0.41 0.05 -1.74 -1.56 116.94 113.24 1rj2 h PHE 748 Ca 0.00 -0.01 0.23 0.00 3.82 0.00 0.00 57.97 62.01 1rj2 h PHE 748 Cb 1.12 0.17 -0.03 0.00 2.00 0.00 0.00 35.95 39.21 1rj2 h PHE 748 CO 0.05 -0.29 0.72 1.96 -0.18 0.00 0.00 178.31 180.57 1rj2 h GLN 749 N -0.49 0.00 0.00 1.51 4.20 -1.63 -1.39 115.11 117.31 1rj2 h GLN 749 Ca -0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.66 1rj2 h GLN 749 Cb 0.38 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.16 1rj2 h GLN 749 CO 0.06 0.00 0.00 -1.91 -0.67 0.00 0.00 178.83 176.31 1rj2 n GLU 750 N -3.78 0.00 0.26 1.46 4.07 -0.81 -3.54 120.64 118.30 1rj2 n GLU 750 Ca 0.16 0.18 0.14 0.00 -0.06 0.00 0.00 57.16 57.58 1rj2 n GLU 750 Cb 0.99 -0.90 0.74 0.00 -0.06 0.00 0.00 31.44 32.21 1rj2 n GLU 750 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1rj2 h GLN 752 N 0.00 0.00 0.00 0.00 5.75 -1.35 -3.12 115.11 116.39 1rj2 h GLN 752 Ca 0.00 0.00 -0.20 0.00 -0.15 0.00 0.00 58.65 58.30 1rj2 h GLN 752 Cb 0.40 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 28.92 1rj2 h GLN 752 CO 0.00 0.20 -1.28 1.63 -2.65 0.00 0.00 178.83 176.73 1rj2 n LYS 753 N -3.46 0.54 -0.50 1.69 5.02 0.11 -1.67 118.16 119.88 1rj2 n LYS 753 Ca -0.00 0.49 0.44 0.00 -2.02 0.00 0.00 58.31 57.21 1rj2 n LYS 753 Cb 0.38 -1.67 0.76 0.00 -0.02 0.00 0.00 35.03 34.47 1rj2 n LYS 753 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1rj2 h LYS 754 N -1.00 0.00 0.00 1.97 1.57 -1.48 0.98 116.57 118.61 1rj2 h LYS 754 Ca -0.30 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.48 1rj2 h LYS 754 Cb 1.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.46 1rj2 h LYS 754 CO -0.18 0.00 -0.56 1.28 -0.57 0.00 0.00 179.45 179.42 1rj2 n LEU 755 N -3.92 0.34 -2.57 2.94 4.77 -1.18 -5.07 117.00 112.31 1rj2 n LEU 755 Ca 0.35 -0.42 -0.00 0.00 -0.03 0.00 0.00 56.01 55.90 1rj2 n LEU 755 Cb 1.67 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 42.76 1rj2 n LEU 755 CO 0.40 0.09 -0.46 -0.67 -1.33 0.00 0.00 177.39 175.42 1rj2 n ASP 756 N -1.29 -6.79 -4.22 -1.43 4.64 0.34 -5.05 116.55 102.74 1rj2 n ASP 756 Ca 0.01 1.28 -0.26 0.00 -1.38 0.00 0.00 54.79 54.43 1rj2 n ASP 756 Cb 0.15 -4.87 -0.15 0.00 -1.04 0.00 0.00 41.12 35.21 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 -1.38 1.81 -0.99 -0.67 3.76 -0.67 -5.00 115.29 112.14 1rj2 s HIS 757 Ca -0.02 -0.35 0.25 0.00 -0.15 0.00 0.00 55.06 54.78 1rj2 s HIS 757 Cb 0.00 -1.14 1.04 0.00 1.11 0.00 0.00 32.58 33.59 1rj2 s HIS 757 CO 0.70 0.00 1.79 1.17 -0.85 0.00 0.00 174.74 177.55 1rj2 n LYS 758 N 2.39 0.00 -3.79 1.40 4.81 -1.26 -4.79 118.16 116.92 1rj2 n LYS 758 Ca -0.16 0.08 -0.12 0.00 -0.87 0.00 0.00 58.31 57.24 1rj2 n LYS 758 Cb 0.53 -1.51 -0.08 0.00 0.02 0.00 0.00 35.03 33.99 1rj2 n LYS 758 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 1rj2 s LEU 759 N -3.03 1.05 0.00 3.14 0.20 -1.26 -5.17 118.68 113.61 1rj2 s LEU 759 Ca 0.12 -0.10 0.00 0.00 0.69 0.00 0.00 54.13 54.84 1rj2 s LEU 759 Cb 0.16 1.15 0.00 0.00 -0.43 0.00 0.00 46.19 47.07 1rj2 s LEU 759 CO 0.45 -0.50 0.00 -1.20 -0.29 0.00 0.00 176.35 174.81 1rj2 n SER 760 N 1.03 -1.11 0.05 3.68 7.64 -1.26 -4.93 113.62 118.72 1rj2 n SER 760 Ca -0.21 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.59 1rj2 n SER 760 Cb 0.57 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.65 1rj2 n SER 760 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1rj2 h LEU 761 N 0.00 0.08 -0.99 -3.43 5.85 -2.00 -3.37 115.31 111.45 1rj2 h LEU 761 Ca 0.00 -0.09 0.18 0.00 0.84 0.00 0.00 57.88 58.81 1rj2 h LEU 761 Cb 0.00 -0.02 -0.18 0.00 0.37 0.00 0.00 40.66 40.83 1rj2 h LEU 761 CO 0.00 1.07 -0.30 -2.24 -0.34 0.00 0.00 178.44 176.63 1rj2 h ASP 762 N 0.01 -1.11 0.02 1.25 2.03 -2.00 0.97 116.42 117.59 1rj2 h ASP 762 Ca -0.08 0.30 0.00 0.00 -0.73 0.00 0.00 57.03 56.52 1rj2 h ASP 762 Cb 1.84 0.66 0.00 0.00 -0.83 0.00 0.00 39.33 41.01 1rj2 h ASP 762 CO 0.13 -0.31 0.00 0.77 -1.03 0.00 0.00 179.24 178.80 1rj2 h SER 763 N -0.00 0.00 0.82 4.15 4.64 -1.94 -0.34 113.55 120.88 1rj2 h SER 763 Ca 0.43 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.63 1rj2 h SER 763 Cb 0.67 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.74 1rj2 h SER 763 CO -1.00 0.00 -1.26 1.88 -0.87 0.00 0.00 176.83 175.58 1rj2 h TYR 764 N 0.00 0.00 0.00 4.77 -1.99 0.73 -3.29 116.97 117.19 1rj2 h TYR 764 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1rj2 h TYR 764 Cb 0.01 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.74 1rj2 h TYR 764 CO 0.00 0.40 0.00 -0.07 -0.00 0.00 0.00 178.16 178.49 1rj2 h LEU 765 N 0.00 0.00 0.18 3.88 3.38 -0.53 -3.01 115.31 119.21 1rj2 h LEU 765 Ca -0.11 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.55 1rj2 h LEU 765 Cb 1.40 0.00 0.03 0.00 0.09 0.00 0.00 40.66 42.18 1rj2 h LEU 765 CO 0.03 0.00 -1.36 0.25 0.09 0.00 0.00 178.44 177.46 1rj2 h LEU 766 N 0.00 0.74 -0.67 1.67 5.85 -1.60 -3.37 115.31 117.92 1rj2 h LEU 766 Ca 0.00 -0.76 0.12 0.00 0.84 0.00 0.00 57.88 58.08 1rj2 h LEU 766 Cb 0.55 -0.24 -0.12 0.00 0.37 0.00 0.00 40.66 41.23 1rj2 h LEU 766 CO 0.00 1.58 -0.21 0.29 -0.34 0.00 0.00 178.44 179.77 1rj2 n LYS 767 N -3.69 -0.10 -0.10 1.25 4.76 -1.14 0.10 118.16 119.25 1rj2 n LYS 767 Ca -0.14 1.04 -0.06 0.00 -2.87 0.00 0.00 58.31 56.29 1rj2 n LYS 767 Cb 1.05 -1.56 0.01 0.00 -1.84 0.00 0.00 35.03 32.70 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 0.07 0.00 1.97 0.11 -1.78 -0.41 132.00 131.96 1rj2 h PRO 768 Ca 0.29 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.39 1rj2 h PRO 768 Cb 0.46 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.55 1rj2 h PRO 768 CO -0.68 0.05 0.00 0.28 -0.21 0.00 0.00 178.00 177.43 1rj2 n VAL 769 N -5.20 0.00 -0.21 3.15 0.31 0.29 -3.15 118.33 113.52 1rj2 n VAL 769 Ca 0.01 0.63 0.06 0.00 -0.01 0.00 0.00 64.34 65.03 1rj2 n VAL 769 Cb 0.18 -1.61 0.12 0.00 -0.91 0.00 0.00 33.84 31.63 1rj2 n VAL 769 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1rj2 n GLN 770 N -0.14 -0.05 -0.23 5.55 10.64 -0.94 0.22 117.38 132.44 1rj2 n GLN 770 Ca 0.00 0.92 0.31 0.00 -1.83 0.00 0.00 57.00 56.39 1rj2 n GLN 770 Cb 0.00 -1.40 0.73 0.00 -0.86 0.00 0.00 30.24 28.71 1rj2 n GLN 770 CO 0.00 0.00 0.00 -0.09 -1.83 0.00 0.00 177.06 175.14 1rj2 h ARG 771 N 0.00 0.00 0.00 2.61 9.65 -1.13 1.45 114.38 126.96 1rj2 h ARG 771 Ca 0.32 -0.00 -0.06 0.00 -1.10 0.00 0.00 59.98 59.14 1rj2 h ARG 771 Cb 0.56 -0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.13 1rj2 h ARG 771 CO -0.59 0.00 -0.29 0.97 2.80 0.00 0.00 179.97 182.86 1rj2 h ILE 772 N 0.00 1.18 0.18 1.20 -0.00 0.28 -2.45 117.51 117.90 1rj2 h ILE 772 Ca 0.47 -1.00 -0.30 0.00 -0.00 0.00 0.00 64.86 64.03 1rj2 h ILE 772 Cb 1.89 1.55 0.02 0.00 -0.00 0.00 0.00 36.82 40.28 1rj2 h ILE 772 CO -0.01 0.28 -1.33 0.74 -0.00 0.00 0.00 178.15 177.84 1rj2 h THR 773 N 0.00 1.39 -0.70 2.19 2.02 0.19 -2.95 112.91 115.05 1rj2 h THR 773 Ca -0.00 -2.83 0.00 0.00 0.77 0.00 0.00 66.41 64.35 1rj2 h THR 773 Cb 0.52 2.94 -0.03 0.00 -1.74 0.00 0.00 68.15 69.84 1rj2 h THR 773 CO 0.04 0.84 0.46 0.11 0.37 0.00 0.00 175.52 177.33 1rj2 h LYS 774 N 0.13 0.92 0.33 6.66 1.79 -0.83 0.33 116.57 125.90 1rj2 h LYS 774 Ca -0.19 -0.06 -0.02 0.00 -2.18 0.00 0.00 60.65 58.21 1rj2 h LYS 774 Cb 2.04 -0.21 0.00 0.00 -1.58 0.00 0.00 32.23 32.48 1rj2 h LYS 774 CO 0.24 0.62 -0.16 1.88 -1.08 0.00 0.00 179.45 180.95 1rj2 h TYR 775 N 0.95 -0.41 -0.11 -1.35 -1.99 -1.50 0.21 116.97 112.78 1rj2 h TYR 775 Ca 0.26 -0.01 0.01 0.00 2.00 0.00 0.00 58.73 60.99 1rj2 h TYR 775 Cb -0.10 0.13 -0.02 0.00 2.00 0.00 0.00 36.73 38.75 1rj2 h TYR 775 CO 0.00 -0.15 -0.11 0.37 -0.00 0.00 0.00 178.16 178.27 1rj2 h GLN 776 N -0.61 -0.06 -0.09 4.88 4.15 -1.15 0.63 115.11 122.85 1rj2 h GLN 776 Ca -0.04 0.00 0.03 0.00 0.77 0.00 0.00 58.65 59.41 1rj2 h GLN 776 Cb 0.44 0.01 -0.06 0.00 0.21 0.00 0.00 27.48 28.08 1rj2 h GLN 776 CO 0.07 -0.04 -0.50 -0.07 -1.93 0.00 0.00 178.83 176.36 1rj2 h LEU 777 N -0.06 -1.57 -0.81 -2.39 3.38 -0.34 -1.39 115.31 112.12 1rj2 h LEU 777 Ca 0.02 0.19 0.15 0.00 0.09 0.00 0.00 57.88 58.33 1rj2 h LEU 777 Cb 0.11 0.62 -0.10 0.00 0.09 0.00 0.00 40.66 41.38 1rj2 h LEU 777 CO -0.13 -0.48 0.38 -0.07 0.09 0.00 0.00 178.44 178.22 1rj2 h LEU 778 N -0.59 0.42 0.42 1.67 3.38 -0.18 -0.45 115.31 119.99 1rj2 h LEU 778 Ca 0.04 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 1rj2 h LEU 778 Cb 0.68 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 1rj2 h LEU 778 CO -0.40 0.16 -0.31 -0.07 0.09 0.00 0.00 178.44 177.91 1rj2 h LEU 779 N 0.54 -0.79 -0.75 1.67 3.38 0.93 0.00 115.31 120.28 1rj2 h LEU 779 Ca 0.45 0.06 0.10 0.00 0.09 0.00 0.00 57.88 58.58 1rj2 h LEU 779 Cb 0.67 0.25 -0.08 0.00 0.09 0.00 0.00 40.66 41.59 1rj2 h LEU 779 CO -0.39 -0.47 0.38 0.50 0.09 0.00 0.00 178.44 178.56 1rj2 h LYS 780 N -0.72 0.60 -0.51 1.13 3.64 -0.54 0.24 116.57 120.41 1rj2 h LYS 780 Ca -0.04 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.22 1rj2 h LYS 780 Cb 0.61 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.27 1rj2 h LYS 780 CO 0.01 0.40 -0.01 1.49 -2.27 0.00 0.00 179.45 179.07 1rj2 h GLU 781 N 0.62 0.87 -0.88 1.90 4.81 -0.84 -1.68 114.58 119.39 1rj2 h GLU 781 Ca 0.38 -0.25 -0.00 0.00 -0.13 0.00 0.00 59.36 59.35 1rj2 h GLU 781 Cb 0.43 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.67 1rj2 h GLU 781 CO -0.29 0.87 0.53 1.98 -0.73 0.00 0.00 179.01 181.37 1rj2 h MET 782 N 0.81 1.19 -0.30 1.92 4.05 0.88 -2.38 114.93 121.09 1rj2 h MET 782 Ca 0.15 -0.10 -0.09 0.00 -0.28 0.00 0.00 59.70 59.38 1rj2 h MET 782 Cb 0.49 -0.25 -0.01 0.00 -0.80 0.00 0.00 31.60 31.03 1rj2 h MET 782 CO 0.02 0.83 -0.17 1.25 0.23 0.00 0.00 176.91 179.07 1rj2 h LEU 783 N 1.21 0.67 -0.96 3.39 5.85 -0.71 -3.19 115.31 121.57 1rj2 h LEU 783 Ca 0.32 -0.42 0.30 0.00 0.84 0.00 0.00 57.88 58.92 1rj2 h LEU 783 Cb -0.06 -0.19 -0.16 0.00 0.37 0.00 0.00 40.66 40.63 1rj2 h LEU 783 CO -0.06 0.94 0.35 0.50 -0.34 0.00 0.00 178.44 179.83 1rj2 h LYS 784 N 0.40 0.15 -1.05 1.25 3.64 -0.77 0.90 116.57 121.10 1rj2 h LYS 784 Ca 0.07 -0.01 -0.29 0.00 -1.27 0.00 0.00 60.65 59.15 1rj2 h LYS 784 Cb 0.70 -0.03 -0.17 0.00 -0.41 0.00 0.00 32.23 32.32 1rj2 h LYS 784 CO 0.05 0.10 0.37 0.66 -2.27 0.00 0.00 179.45 178.36 1rj2 n TYR 785 N -5.24 1.66 -1.40 1.91 0.53 -1.20 -3.66 117.16 109.77 1rj2 n TYR 785 Ca 0.28 -1.32 0.00 0.00 -1.02 0.00 0.00 57.90 55.84 1rj2 n TYR 785 Cb 0.90 -0.67 0.00 0.00 -1.03 0.00 0.00 39.34 38.55 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 -0.32 0.00 -1.07 7.72 7.64 0.31 -4.69 113.62 123.21 1rj2 n SER 786 Ca 0.32 -1.00 0.00 0.00 1.01 0.00 0.00 58.87 59.20 1rj2 n SER 786 Cb 1.08 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.28 1rj2 n SER 786 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1rj2 n LYS 787 N 0.00 0.00 0.00 1.43 4.76 -0.99 -2.30 118.16 121.06 1rj2 n LYS 787 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1rj2 n LYS 787 Cb 0.44 -0.94 0.00 0.00 -1.84 0.00 0.00 35.03 32.68 1rj2 n LYS 787 CO 0.00 0.00 0.00 1.58 -1.37 0.00 0.00 177.40 177.61 1rj2 n HIS 788 N 0.63 0.00 -3.76 2.13 -0.00 -1.26 -5.16 115.22 107.80 1rj2 n HIS 788 Ca 0.00 0.00 -0.05 0.00 0.46 0.00 0.00 57.72 58.13 1rj2 n HIS 788 Cb 0.00 0.00 -0.02 0.00 -0.12 0.00 0.00 29.99 29.85 1rj2 n HIS 788 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1rj2 n GLU 790 N -0.46 2.42 0.00 0.00 1.02 -1.26 -2.14 120.64 120.22 1rj2 n GLU 790 Ca -0.06 0.87 0.00 0.00 -0.02 0.00 0.00 57.16 57.96 1rj2 n GLU 790 Cb 0.60 -2.70 0.00 0.00 -0.02 0.00 0.00 31.44 29.33 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 3.84 0.68 0.00 0.62 0.00 -1.26 -4.58 105.19 104.49 1rj2 n GLY 791 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1rj2 n GLY 791 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rj2 n ALA 792 N -1.13 0.00 -0.08 4.61 0.00 -0.91 -3.14 120.51 119.87 1rj2 n ALA 792 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 1rj2 n ALA 792 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 1rj2 n ALA 792 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1rj2 n GLU 793 N 0.00 -0.05 -0.08 0.00 1.02 -1.26 -0.57 120.64 119.71 1rj2 n GLU 793 Ca 0.00 0.32 -0.02 0.00 -0.02 0.00 0.00 57.16 57.44 1rj2 n GLU 793 Cb 0.00 -0.48 -0.02 0.00 -0.02 0.00 0.00 31.44 30.93 1rj2 n GLU 793 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1rj2 n ASP 794 N -4.31 -0.19 0.15 1.62 8.00 -1.19 0.09 116.55 120.72 1rj2 n ASP 794 Ca 0.02 0.87 -0.10 0.00 0.71 0.00 0.00 54.79 56.28 1rj2 n ASP 794 Cb 0.09 -0.31 -0.06 0.00 -0.02 0.00 0.00 41.12 40.82 1rj2 n ASP 794 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1rj2 h LEU 795 N 0.00 -0.83 -0.94 0.64 3.38 -0.78 -0.84 115.31 115.95 1rj2 h LEU 795 Ca 0.03 0.07 0.28 0.00 0.09 0.00 0.00 57.88 58.35 1rj2 h LEU 795 Cb 0.08 0.28 -0.15 0.00 0.09 0.00 0.00 40.66 40.95 1rj2 h LEU 795 CO -0.17 -0.38 0.34 -0.61 0.09 0.00 0.00 178.44 177.71 1rj2 h GLN 796 N -0.56 0.20 -0.46 1.13 5.75 -1.44 0.38 115.11 120.11 1rj2 h GLN 796 Ca -0.03 -0.01 -0.08 0.00 -0.15 0.00 0.00 58.65 58.37 1rj2 h GLN 796 Cb 0.50 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 28.99 1rj2 h GLN 796 CO -0.06 0.14 -0.04 0.93 -2.65 0.00 0.00 178.83 177.15 1rj2 h GLU 797 N 0.21 0.84 0.58 1.69 4.39 -0.09 -3.00 114.58 119.20 1rj2 h GLU 797 Ca 0.64 -0.29 -0.02 0.00 0.34 0.00 0.00 59.36 60.03 1rj2 h GLU 797 Cb 1.38 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 29.97 1rj2 h GLU 797 CO -0.67 0.91 -0.33 0.00 -1.16 0.00 0.00 179.01 177.76 1rj2 h ALA 798 N 0.90 -0.85 -1.54 3.43 0.00 0.11 -2.60 119.26 118.71 1rj2 h ALA 798 Ca 0.13 -0.17 0.50 0.00 0.00 0.00 0.00 54.91 55.37 1rj2 h ALA 798 Cb 0.55 0.39 -0.12 0.00 0.00 0.00 0.00 17.79 18.61 1rj2 h ALA 798 CO 0.03 -0.99 1.03 -0.11 0.00 0.00 0.00 179.25 179.22 1rj2 n LEU 799 N -5.47 0.15 -0.01 0.00 7.94 0.29 -0.10 117.00 119.81 1rj2 n LEU 799 Ca -0.12 1.28 -0.11 0.00 -1.11 0.00 0.00 56.01 55.95 1rj2 n LEU 799 Cb 0.36 -0.63 -0.09 0.00 0.53 0.00 0.00 43.42 43.59 1rj2 n LEU 799 CO 0.35 -1.37 0.39 0.28 -1.11 0.00 0.00 177.39 175.94 1rj2 h SER 800 N 0.00 -0.07 -0.24 1.96 0.02 -1.33 -3.01 113.55 110.87 1rj2 h SER 800 Ca 0.90 -0.56 0.07 0.00 -0.84 0.00 0.00 61.79 61.36 1rj2 h SER 800 Cb 3.10 0.02 -0.01 0.00 0.14 0.00 0.00 62.40 65.65 1rj2 h SER 800 CO -0.34 0.62 0.27 0.28 -1.14 0.00 0.00 176.83 176.52 1rj2 h SER 801 N -0.86 0.00 0.12 3.07 0.02 -0.31 0.47 113.55 116.06 1rj2 h SER 801 Ca -0.01 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1rj2 h SER 801 Cb 0.63 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.17 1rj2 h SER 801 CO 0.01 0.00 -0.06 0.40 -1.14 0.00 0.00 176.83 176.05 1rj2 h ILE 802 N 0.00 0.89 -0.61 3.27 1.08 -1.30 -2.93 117.51 117.91 1rj2 h ILE 802 Ca 0.12 -1.30 0.06 0.00 -0.39 0.00 0.00 64.86 63.35 1rj2 h ILE 802 Cb 0.66 1.55 -0.04 0.00 -3.07 0.00 0.00 36.82 35.93 1rj2 h ILE 802 CO -0.00 0.25 0.41 0.25 -0.69 0.00 0.00 178.15 178.37 1rj2 h LEU 803 N -0.90 0.52 -1.34 1.44 6.46 -1.14 0.11 115.31 120.46 1rj2 h LEU 803 Ca -0.02 0.00 0.15 0.00 -0.12 0.00 0.00 57.88 57.90 1rj2 h LEU 803 Cb 0.53 -0.11 -0.07 0.00 -0.73 0.00 0.00 40.66 40.29 1rj2 h LEU 803 CO 0.03 0.34 0.57 1.23 -0.62 0.00 0.00 178.44 179.98 1rj2 h GLY 804 N 0.59 1.12 0.42 3.75 0.00 -0.07 0.46 103.07 109.34 1rj2 h GLY 804 Ca 0.27 -0.28 0.07 0.00 0.00 0.00 0.00 47.33 47.39 1rj2 h GLY 804 CO -0.08 0.08 0.02 -2.22 0.00 0.00 0.00 176.54 174.34 1rj2 h ILE 805 N 0.64 0.73 0.01 2.60 2.04 -0.59 0.39 117.51 123.33 1rj2 h ILE 805 Ca 0.44 -0.05 -0.00 0.00 1.00 0.00 0.00 64.86 66.26 1rj2 h ILE 805 Cb 0.77 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 37.44 1rj2 h ILE 805 CO -0.20 0.02 -0.00 -0.07 0.00 0.00 0.00 178.15 177.91 1rj2 h LEU 806 N 0.13 -0.01 -0.51 1.44 3.38 -0.73 -1.64 115.31 117.37 1rj2 h LEU 806 Ca 0.19 -0.48 0.10 0.00 0.09 0.00 0.00 57.88 57.78 1rj2 h LEU 806 Cb 0.26 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.91 1rj2 h LEU 806 CO -0.30 0.48 -0.23 0.50 0.09 0.00 0.00 178.44 178.98 1rj2 h LYS 807 N -0.49 -0.11 -0.24 1.13 3.11 0.13 0.19 116.57 120.29 1rj2 h LYS 807 Ca -0.00 0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.85 1rj2 h LYS 807 Cb 0.49 0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 31.73 1rj2 h LYS 807 CO 0.00 -0.07 0.15 0.00 -2.81 0.00 0.00 179.45 176.72 1rj2 h ALA 808 N 1.22 0.31 -0.25 5.00 0.00 -0.23 -1.11 119.26 124.19 1rj2 h ALA 808 Ca 0.24 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.18 1rj2 h ALA 808 Cb 0.48 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.10 1rj2 h ALA 808 CO -0.58 -0.21 -0.29 0.28 0.00 0.00 0.00 179.25 178.45 1rj2 h VAL 809 N 0.31 0.30 0.22 0.00 2.07 0.09 -1.33 116.25 117.91 1rj2 h VAL 809 Ca 0.09 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.61 1rj2 h VAL 809 Cb -0.01 0.30 -0.04 0.00 -1.52 0.00 0.00 31.29 30.02 1rj2 h VAL 809 CO -0.02 0.00 -0.52 -1.13 0.02 0.00 0.00 177.57 175.93 1rj2 h ASN 810 N -0.30 -1.52 -0.82 0.57 -1.24 -0.39 0.89 115.58 112.77 1rj2 h ASN 810 Ca 0.13 0.15 0.19 0.00 0.71 0.00 0.00 56.30 57.49 1rj2 h ASN 810 Cb 0.51 0.55 -0.15 0.00 0.73 0.00 0.00 38.32 39.97 1rj2 h ASN 810 CO -0.42 -0.58 -0.00 0.44 -1.29 0.00 0.00 177.43 175.57 1rj2 h ASP 811 N -0.81 -0.41 -0.66 1.15 3.32 -0.80 0.63 116.42 118.83 1rj2 h ASP 811 Ca -0.02 0.22 -0.04 0.00 0.02 0.00 0.00 57.03 57.22 1rj2 h ASP 811 Cb 0.79 0.39 -0.03 0.00 0.22 0.00 0.00 39.33 40.70 1rj2 h ASP 811 CO -0.23 -0.22 0.28 0.28 -1.72 0.00 0.00 179.24 177.62 1rj2 h SER 812 N 0.08 0.91 0.42 6.45 0.02 -0.56 0.12 113.55 120.98 1rj2 h SER 812 Ca 0.46 -0.16 0.00 0.00 -0.84 0.00 0.00 61.79 61.24 1rj2 h SER 812 Cb 0.83 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.14 1rj2 h SER 812 CO -0.74 0.82 0.00 0.24 -1.14 0.00 0.00 176.83 176.01 1rj2 h MET 813 N 0.94 0.00 0.05 3.45 2.86 0.26 -1.69 114.93 120.80 1rj2 h MET 813 Ca 0.22 0.00 -0.37 0.00 -2.06 0.00 0.00 59.70 57.50 1rj2 h MET 813 Cb 0.19 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.81 1rj2 h MET 813 CO -0.02 0.00 -2.10 0.72 1.06 0.00 0.00 176.91 176.57 1rj2 n HIS 814 N -2.64 0.67 -0.06 -0.22 -0.00 0.29 -4.33 115.22 108.95 1rj2 n HIS 814 Ca -0.00 0.18 -0.10 0.00 -0.00 0.00 0.00 57.72 57.79 1rj2 n HIS 814 Cb 0.15 -1.08 -0.04 0.00 -0.00 0.00 0.00 29.99 29.02 1rj2 n HIS 814 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 1rj2 h LEU 815 N -0.28 0.27 0.00 2.41 5.85 -0.52 -0.39 115.31 122.65 1rj2 h LEU 815 Ca -0.50 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.12 1rj2 h LEU 815 Cb 1.82 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.78 1rj2 h LEU 815 CO -0.09 0.29 0.00 2.30 -0.34 0.00 0.00 178.44 180.61 1rj2 n ILE 816 N -4.87 0.00 0.12 4.05 -5.35 -0.66 -0.11 119.36 112.54 1rj2 n ILE 816 Ca -0.03 0.00 0.10 0.00 -0.27 0.00 0.00 62.75 62.54 1rj2 n ILE 816 Cb 0.08 -0.63 -0.14 0.00 -1.74 0.00 0.00 39.64 37.21 1rj2 n ILE 816 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1rj2 n ALA 817 N -0.69 2.96 -1.13 -1.28 0.00 -0.16 -5.00 120.51 115.21 1rj2 n ALA 817 Ca 0.01 -0.47 -0.35 0.00 0.00 0.00 0.00 53.44 52.63 1rj2 n ALA 817 Cb 0.00 -0.66 0.08 0.00 0.00 0.00 0.00 19.45 18.87 1rj2 n ALA 817 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1rj2 n ILE 818 N -2.06 1.20 -3.77 0.00 5.41 0.85 -3.75 119.36 117.23 1rj2 n ILE 818 Ca -0.03 -0.35 -0.13 0.00 1.00 0.00 0.00 62.75 63.24 1rj2 n ILE 818 Cb 0.47 -0.66 -0.10 0.00 -0.71 0.00 0.00 39.64 38.65 1rj2 n ILE 818 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 1rj2 s THR 819 N -2.04 0.03 0.00 1.39 -1.32 -0.87 -4.80 115.64 108.03 1rj2 s THR 819 Ca 0.62 -0.28 0.00 0.00 -1.21 0.00 0.00 61.69 60.82 1rj2 s THR 819 Cb -0.31 -0.52 0.00 0.00 -1.51 0.00 0.00 72.50 70.16 1rj2 s THR 819 CO 0.62 -0.15 0.00 0.61 -2.21 0.00 0.00 174.62 173.48 1rj2 n GLY 820 N 2.03 0.65 3.56 6.08 0.00 -1.26 0.18 105.19 116.44 1rj2 n GLY 820 Ca -0.18 -0.74 -0.40 0.00 0.00 0.00 0.00 46.02 44.71 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 -2.07 3.22 -1.17 1.61 5.04 -1.26 -4.46 117.35 118.26 1rj2 s TYR 821 Ca 0.00 0.01 -0.10 0.00 -2.44 0.00 0.00 57.07 54.54 1rj2 s TYR 821 Cb 0.00 -2.52 0.23 0.00 0.35 0.00 0.00 41.96 40.02 1rj2 s TYR 821 CO 0.00 -0.31 1.45 -0.40 -1.34 0.00 0.00 175.55 174.95 1rj2 n ASP 822 N 5.20 5.52 0.00 4.32 5.75 -1.26 -4.93 116.55 131.15 1rj2 n ASP 822 Ca -0.11 -3.11 0.00 0.00 -0.01 0.00 0.00 54.79 51.56 1rj2 n ASP 822 Cb 0.50 -1.44 0.00 0.00 -1.03 0.00 0.00 41.12 39.15 1rj2 n ASP 822 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1rj2 n GLY 823 N 2.87 -1.50 3.48 6.12 0.00 -1.26 -5.07 105.19 109.82 1rj2 n GLY 823 Ca 0.32 -1.05 -0.43 0.00 0.00 0.00 0.00 46.02 44.85 1rj2 n GLY 823 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1rj2 s ASN 824 N -2.91 6.30 -0.52 1.61 0.01 -1.26 -4.92 114.94 113.25 1rj2 s ASN 824 Ca 0.00 -1.20 -0.05 0.00 -0.71 0.00 0.00 52.86 50.90 1rj2 s ASN 824 Cb 0.00 -2.45 -0.10 0.00 0.41 0.00 0.00 41.25 39.12 1rj2 s ASN 824 CO 0.00 -1.41 2.19 0.00 -1.51 0.00 0.00 177.10 176.37 1rj2 n LEU 825 N 7.77 4.12 0.00 0.60 -0.00 -1.26 -2.47 117.00 125.76 1rj2 n LEU 825 Ca 0.07 -2.53 0.00 0.00 -0.00 0.00 0.00 56.01 53.55 1rj2 n LEU 825 Cb 0.47 -0.97 0.00 0.00 -0.00 0.00 0.00 43.42 42.92 1rj2 n LEU 825 CO 0.62 0.69 0.00 0.61 -0.00 0.00 0.00 177.39 179.31 1rj2 n GLY 826 N 3.31 0.00 0.00 1.47 0.00 -1.26 -4.92 105.19 103.78 1rj2 n GLY 826 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.38 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 -0.16 0.00 0.00 1.61 9.92 -1.03 -4.35 116.55 122.54 1rj2 n ASP 827 Ca 0.00 0.02 0.00 0.00 -0.53 0.00 0.00 54.79 54.28 1rj2 n ASP 827 Cb 0.00 -0.02 0.00 0.00 -0.64 0.00 0.00 41.12 40.46 1rj2 n ASP 827 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1rj2 n LEU 828 N -1.00 0.00 0.00 0.64 -0.00 -1.26 -5.05 117.00 110.33 1rj2 n LEU 828 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1rj2 n LEU 828 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1rj2 n LEU 828 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.00 1rj2 n GLY 829 N 5.00 3.39 3.59 1.47 0.00 -1.26 -4.81 105.19 112.56 1rj2 n GLY 829 Ca 0.00 -1.89 -0.31 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 3.01 2.29 0.62 1.61 2.20 -1.26 -4.66 119.74 123.56 1rj2 s LYS 830 Ca 0.00 -0.92 -0.18 0.00 -0.36 0.00 0.00 55.97 54.52 1rj2 s LYS 830 Cb 0.00 -2.38 -0.06 0.00 -1.51 0.00 0.00 37.83 33.88 1rj2 s LYS 830 CO 0.00 0.54 0.72 1.28 -0.36 0.00 0.00 175.35 177.53 1rj2 n LEU 831 N 0.98 2.11 0.00 5.43 4.77 -1.26 -3.88 117.00 125.15 1rj2 n LEU 831 Ca -0.14 0.73 0.00 0.00 -0.03 0.00 0.00 56.01 56.57 1rj2 n LEU 831 Cb 0.52 -1.28 0.00 0.00 -2.33 0.00 0.00 43.42 40.34 1rj2 n LEU 831 CO 0.33 -2.55 -0.14 0.18 -1.33 0.00 0.00 177.39 173.87 1rj2 n LEU 832 N -0.28 0.03 -4.38 2.23 4.77 -1.19 -4.93 117.00 113.25 1rj2 n LEU 832 Ca 0.12 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.89 1rj2 n LEU 832 Cb 0.48 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.48 1rj2 n LEU 832 CO 0.50 -0.34 -0.18 -0.04 -1.33 0.00 0.00 177.39 176.00 1rj2 s MET 833 N -1.98 1.73 0.00 3.23 -1.94 -1.26 -5.06 119.30 114.02 1rj2 s MET 833 Ca 0.00 -2.02 0.00 0.00 -1.71 0.00 0.00 55.69 51.96 1rj2 s MET 833 Cb 0.00 -0.15 0.00 0.00 2.01 0.00 0.00 34.83 36.69 1rj2 s MET 833 CO 0.00 -0.51 0.00 0.00 -0.01 0.00 0.00 175.02 174.50 1rj2 n GLN 834 N -0.69 0.00 -3.86 2.03 -0.00 -1.26 -3.07 117.38 110.53 1rj2 n GLN 834 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 57.00 56.92 1rj2 n GLN 834 Cb 0.64 0.00 -0.03 0.00 -0.00 0.00 0.00 30.24 30.85 1rj2 n GLN 834 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 1rj2 s GLY 835 N 0.00 0.05 -0.02 2.61 0.00 -1.17 -4.94 107.32 103.85 1rj2 s GLY 835 Ca 0.00 -0.42 -0.24 0.00 0.00 0.00 0.00 44.72 44.06 1rj2 s GLY 835 CO 0.00 -0.25 0.74 -1.35 0.00 0.00 0.00 173.10 172.25 1rj2 s SER 836 N -2.93 7.10 0.30 1.64 1.04 -1.26 -0.34 113.70 119.25 1rj2 s SER 836 Ca 0.13 1.32 0.03 0.00 0.48 0.00 0.00 55.95 57.91 1rj2 s SER 836 Cb -0.04 -2.44 -0.04 0.00 0.10 0.00 0.00 66.02 63.60 1rj2 s SER 836 CO 0.05 -0.08 0.12 -0.36 0.98 0.00 0.00 173.24 173.96 1rj2 s PHE 837 N 0.50 1.64 -0.36 5.02 0.40 -0.61 -4.55 117.98 120.01 1rj2 s PHE 837 Ca 0.39 -1.24 -0.11 0.00 -0.60 0.00 0.00 56.93 55.36 1rj2 s PHE 837 Cb -0.19 -0.96 0.02 0.00 0.51 0.00 0.00 43.02 42.40 1rj2 s PHE 837 CO 0.21 -0.37 0.21 -1.12 0.70 0.00 0.00 175.22 174.84 1rj2 s SER 838 N -3.39 5.74 0.17 1.36 0.01 -1.19 -3.21 113.70 113.19 1rj2 s SER 838 Ca 0.35 -0.87 -0.09 0.00 1.31 0.00 0.00 55.95 56.65 1rj2 s SER 838 Cb 0.06 -2.04 -0.07 0.00 0.21 0.00 0.00 66.02 64.19 1rj2 s SER 838 CO 0.16 -0.35 0.48 -0.69 0.41 0.00 0.00 173.24 173.25 1rj2 s VAL 839 N 1.58 5.01 -0.05 3.43 1.01 0.23 -2.48 120.40 129.13 1rj2 s VAL 839 Ca 0.03 0.40 -0.07 0.00 0.00 0.00 0.00 61.98 62.34 1rj2 s VAL 839 Cb -0.19 -3.64 0.01 0.00 0.00 0.00 0.00 36.38 32.57 1rj2 s VAL 839 CO 0.07 0.06 0.17 0.26 0.00 0.00 0.00 175.10 175.66 1rj2 s TRP 840 N -1.66 -0.14 0.16 5.22 0.51 -0.39 -1.58 118.94 121.05 1rj2 s TRP 840 Ca 0.42 0.34 0.02 0.00 -2.12 0.00 0.00 56.10 54.76 1rj2 s TRP 840 Cb -0.12 0.04 0.03 0.00 -0.81 0.00 0.00 33.47 32.61 1rj2 s TRP 840 CO 0.21 -0.14 0.22 0.25 -0.51 0.00 0.00 176.95 176.98 1rj2 n THR 841 N 2.61 0.00 0.00 2.01 -2.24 -1.07 0.11 114.28 115.70 1rj2 n THR 841 Ca -0.15 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.18 1rj2 n THR 841 Cb 0.58 -1.01 0.00 0.00 -2.10 0.00 0.00 70.33 67.80 1rj2 n THR 841 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1rj2 n ASP 842 N -2.88 0.00 -0.03 3.42 4.64 -1.14 -4.66 116.55 115.90 1rj2 n ASP 842 Ca 0.04 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.45 1rj2 n ASP 842 Cb 0.15 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.23 1rj2 n ASP 842 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1rj2 n HIS 843 N 0.00 -0.01 -0.13 -0.67 1.44 -1.26 -3.99 115.22 110.59 1rj2 n HIS 843 Ca 0.00 0.00 0.01 0.00 -2.01 0.00 0.00 57.72 55.72 1rj2 n HIS 843 Cb 0.00 0.00 -0.01 0.00 0.12 0.00 0.00 29.99 30.10 1rj2 n HIS 843 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 1rj2 n LYS 844 N 0.00 -0.30 0.00 -1.40 4.01 -1.26 -5.05 118.16 114.15 1rj2 n LYS 844 Ca 0.00 0.25 0.00 0.00 -0.51 0.00 0.00 58.31 58.05 1rj2 n LYS 844 Cb 0.00 -0.35 0.00 0.00 -0.51 0.00 0.00 35.03 34.17 1rj2 n LYS 844 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1rj2 n LYS 845 N -2.18 0.00 -1.72 1.97 4.76 -1.26 -4.90 118.16 114.82 1rj2 n LYS 845 Ca -0.01 0.00 -0.40 0.00 -2.87 0.00 0.00 58.31 55.03 1rj2 n LYS 845 Cb 0.06 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.22 1rj2 n LYS 845 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1rj2 n GLY 846 N 5.00 2.76 3.77 0.72 0.00 -1.26 -4.93 105.19 111.25 1rj2 n GLY 846 Ca 0.00 -1.28 -0.41 0.00 0.00 0.00 0.00 46.02 44.34 1rj2 n GLY 846 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1rj2 n HIS 847 N 8.62 2.89 -0.01 1.61 -0.00 -1.26 -4.86 115.22 122.21 1rj2 n HIS 847 Ca 0.49 0.45 0.00 0.00 -0.00 0.00 0.00 57.72 58.66 1rj2 n HIS 847 Cb 0.42 -2.51 0.00 0.00 -0.00 0.00 0.00 29.99 27.90 1rj2 n HIS 847 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.34 176.59 1rj2 n THR 848 N 0.30 0.00 -3.38 1.59 -2.24 -1.26 -5.14 114.28 104.15 1rj2 n THR 848 Ca 0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 1rj2 n THR 848 Cb 0.39 0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.63 1rj2 n THR 848 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1rj2 n LYS 849 N 0.00 -0.62 -1.89 -0.78 -0.00 -1.26 -5.16 118.16 108.45 1rj2 n LYS 849 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1rj2 n LYS 849 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 1rj2 n LYS 849 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1rj2 n VAL 850 N 3.42 -9.80 -0.99 0.58 0.31 -1.26 -5.00 118.33 105.60 1rj2 n VAL 850 Ca 0.00 2.17 0.00 0.00 -0.01 0.00 0.00 64.34 66.50 1rj2 n VAL 850 Cb 0.00 -5.07 0.00 0.00 -0.91 0.00 0.00 33.84 27.86 1rj2 n VAL 850 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1rj2 n LYS 851 N 1.24 -1.00 -2.50 5.55 4.76 -1.26 -4.92 118.16 120.04 1rj2 n LYS 851 Ca 0.00 1.12 -0.43 0.00 -2.87 0.00 0.00 58.31 56.13 1rj2 n LYS 851 Cb 0.00 -1.00 -0.02 0.00 -1.84 0.00 0.00 35.03 32.17 1rj2 n LYS 851 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 1rj2 s GLU 852 N -2.21 3.73 0.85 1.97 4.04 -1.26 -5.02 118.70 120.80 1rj2 s GLU 852 Ca 0.00 0.83 -0.12 0.00 0.04 0.00 0.00 54.97 55.72 1rj2 s GLU 852 Cb 0.00 -3.93 0.10 0.00 0.02 0.00 0.00 34.13 30.33 1rj2 s GLU 852 CO 0.00 -1.36 1.17 -1.17 -1.84 0.00 0.00 175.26 172.05 1rj2 s LEU 853 N 4.70 2.33 -0.37 1.83 1.98 -1.26 -4.91 118.68 122.98 1rj2 s LEU 853 Ca 0.53 0.83 -0.02 0.00 -2.89 0.00 0.00 54.13 52.58 1rj2 s LEU 853 Cb -0.11 -3.26 0.19 0.00 0.66 0.00 0.00 46.19 43.67 1rj2 s LEU 853 CO 0.29 -2.15 0.90 0.00 -1.89 0.00 0.00 176.35 173.50 1rj2 s ALA 854 N -3.48 -3.62 0.16 5.97 0.00 -1.26 -4.92 121.76 114.61 1rj2 s ALA 854 Ca 0.63 0.75 -0.07 0.00 0.00 0.00 0.00 51.96 53.27 1rj2 s ALA 854 Cb -0.12 -2.90 0.02 0.00 0.00 0.00 0.00 23.12 20.12 1rj2 s ALA 854 CO 0.51 -2.39 1.46 -0.09 0.00 0.00 0.00 175.76 175.24 1rj2 h ARG 855 N 5.79 0.70 -0.75 0.00 9.65 -1.98 -2.83 114.38 124.96 1rj2 h ARG 855 Ca 0.00 -0.45 0.03 0.00 -1.10 0.00 0.00 59.98 58.46 1rj2 h ARG 855 Cb 1.20 0.05 -0.19 0.00 -1.39 0.00 0.00 29.97 29.64 1rj2 h ARG 855 CO -0.01 1.07 -0.32 -0.59 2.80 0.00 0.00 179.97 182.91 1rj2 s PHE 856 N -4.05 -1.34 0.00 2.20 -0.12 -1.26 -4.96 117.98 108.45 1rj2 s PHE 856 Ca -0.09 0.38 0.00 0.00 -0.05 0.00 0.00 56.93 57.18 1rj2 s PHE 856 Cb 0.11 0.24 0.00 0.00 -0.63 0.00 0.00 43.02 42.74 1rj2 s PHE 856 CO 0.86 -0.87 0.00 1.63 -0.05 0.00 0.00 175.22 176.80 1rj2 n LYS 857 N 4.53 0.00 0.00 1.99 5.02 -1.26 -5.13 118.16 123.31 1rj2 n LYS 857 Ca 0.08 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 1rj2 n LYS 857 Cb 0.58 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.59 1rj2 n LYS 857 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 1rj2 n PRO 858 N 0.00 0.00 -3.31 1.97 -0.02 -1.26 -4.93 135.00 127.45 1rj2 n PRO 858 Ca 0.00 0.00 -0.31 0.00 -2.02 0.00 0.00 63.50 61.17 1rj2 n PRO 858 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 33.43 1rj2 n PRO 858 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1rj2 s MET 859 N 0.00 3.79 -0.53 -0.52 0.23 -0.62 -4.87 119.30 116.79 1rj2 s MET 859 Ca 0.00 0.29 -0.07 0.00 -1.03 0.00 0.00 55.69 54.88 1rj2 s MET 859 Cb 0.00 -2.59 0.14 0.00 -1.53 0.00 0.00 34.83 30.84 1rj2 s MET 859 CO 0.00 0.24 0.38 -0.65 -2.03 0.00 0.00 175.02 172.96 1rj2 s GLN 860 N -3.08 2.52 0.25 3.16 -1.52 -1.26 -0.60 119.66 119.13 1rj2 s GLN 860 Ca 0.48 -2.00 0.10 0.00 -1.95 0.00 0.00 55.36 51.98 1rj2 s GLN 860 Cb -0.11 -3.87 -0.04 0.00 -0.22 0.00 0.00 33.01 28.76 1rj2 s GLN 860 CO 0.23 -1.18 -0.05 1.03 -0.25 0.00 0.00 175.29 175.07 1rj2 s ARG 861 N 0.91 2.15 -0.24 2.91 1.81 -1.20 -4.21 118.95 121.09 1rj2 s ARG 861 Ca 0.10 -1.44 -0.03 0.00 -1.72 0.00 0.00 55.73 52.64 1rj2 s ARG 861 Cb -0.23 -2.10 0.01 0.00 -0.45 0.00 0.00 34.95 32.18 1rj2 s ARG 861 CO -0.03 0.38 -0.05 -1.58 -0.68 0.00 0.00 175.30 173.34 1rj2 s HIS 862 N -2.22 3.01 0.72 -0.53 2.46 0.81 -1.58 115.29 117.97 1rj2 s HIS 862 Ca 0.30 -1.29 -0.11 0.00 0.47 0.00 0.00 55.06 54.43 1rj2 s HIS 862 Cb -0.07 -2.09 0.02 0.00 -0.13 0.00 0.00 32.58 30.32 1rj2 s HIS 862 CO 0.18 -0.66 1.07 -0.51 -2.47 0.00 0.00 174.74 172.35 1rj2 s LEU 863 N 1.39 3.01 -0.43 8.88 1.43 0.54 -2.25 118.68 131.26 1rj2 s LEU 863 Ca 0.03 1.53 0.07 0.00 -1.03 0.00 0.00 54.13 54.73 1rj2 s LEU 863 Cb -0.16 -4.36 0.25 0.00 0.03 0.00 0.00 46.19 41.96 1rj2 s LEU 863 CO -0.04 -1.54 0.65 0.49 0.23 0.00 0.00 176.35 176.14 1rj2 n PHE 864 N -3.18 -1.43 -1.70 0.29 3.72 -0.91 -3.06 117.46 111.19 1rj2 n PHE 864 Ca 0.07 -2.92 -0.39 0.00 -0.05 0.00 0.00 57.45 54.17 1rj2 n PHE 864 Cb 0.54 0.33 0.04 0.00 -0.94 0.00 0.00 39.48 39.46 1rj2 n PHE 864 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60 1rj2 n LEU 865 N 1.48 4.81 0.00 4.37 0.00 -1.17 -2.84 117.00 123.65 1rj2 n LEU 865 Ca 0.17 0.94 0.00 0.00 0.00 0.00 0.00 56.01 57.11 1rj2 n LEU 865 Cb 0.57 -1.51 0.00 0.00 0.00 0.00 0.00 43.42 42.48 1rj2 n LEU 865 CO 0.13 -1.00 0.00 1.41 0.00 0.00 0.00 177.39 177.93 1rj2 n HIS 866 N -1.18 0.00 0.00 1.96 8.25 -0.64 -3.15 115.22 120.45 1rj2 n HIS 866 Ca 0.11 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.57 1rj2 n HIS 866 Cb 0.45 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.56 1rj2 n HIS 866 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1rj2 n GLU 867 N 0.00 2.34 -0.02 -0.41 1.02 -1.25 -4.64 120.64 117.68 1rj2 n GLU 867 Ca 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 57.15 1rj2 n GLU 867 Cb 0.00 -0.93 -0.07 0.00 -0.02 0.00 0.00 31.44 30.42 1rj2 n GLU 867 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1rj2 n LYS 868 N -1.97 1.27 -4.17 3.49 5.02 -1.26 -4.81 118.16 115.73 1rj2 n LYS 868 Ca 0.00 -0.05 -0.11 0.00 -2.02 0.00 0.00 58.31 56.13 1rj2 n LYS 868 Cb 0.43 -1.22 -0.10 0.00 -0.02 0.00 0.00 35.03 34.12 1rj2 n LYS 868 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1rj2 s ALA 869 N -2.46 0.97 -0.56 7.82 0.00 -1.26 -3.34 121.76 122.93 1rj2 s ALA 869 Ca -0.04 -1.33 0.06 0.00 0.00 0.00 0.00 51.96 50.65 1rj2 s ALA 869 Cb 0.05 0.15 0.21 0.00 0.00 0.00 0.00 23.12 23.53 1rj2 s ALA 869 CO 0.38 -0.22 0.55 0.28 0.00 0.00 0.00 175.76 176.75 1rj2 n VAL 870 N 0.02 0.81 -1.45 0.00 0.31 -1.26 -1.63 118.33 115.14 1rj2 n VAL 870 Ca -0.13 -4.52 -0.38 0.00 -0.01 0.00 0.00 64.34 59.31 1rj2 n VAL 870 Cb 0.60 -2.01 0.04 0.00 -0.91 0.00 0.00 33.84 31.57 1rj2 n VAL 870 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1rj2 n LEU 871 N 1.66 0.89 -3.92 7.52 4.32 -1.13 -4.23 117.00 122.11 1rj2 n LEU 871 Ca 0.25 0.72 -0.28 0.00 -0.02 0.00 0.00 56.01 56.68 1rj2 n LEU 871 Cb 0.43 -1.18 -0.16 0.00 -1.62 0.00 0.00 43.42 40.88 1rj2 n LEU 871 CO 0.26 -3.02 -0.43 -0.36 -1.22 0.00 0.00 177.39 172.61 1rj2 s PHE 872 N -1.73 1.82 0.16 -1.77 0.08 0.32 -2.14 117.98 114.73 1rj2 s PHE 872 Ca 0.69 -1.14 0.10 0.00 0.12 0.00 0.00 56.93 56.70 1rj2 s PHE 872 Cb -0.43 -1.37 -0.04 0.00 -0.57 0.00 0.00 43.02 40.60 1rj2 s PHE 872 CO 0.54 -0.63 -0.22 0.00 -0.10 0.00 0.00 175.22 174.82 1rj2 s LYS 874 N -2.54 3.01 -0.42 0.00 2.20 0.30 -0.13 119.74 122.16 1rj2 s LYS 874 Ca 0.16 -0.98 -0.31 0.00 -0.36 0.00 0.00 55.97 54.48 1rj2 s LYS 874 Cb -0.08 -3.90 -0.10 0.00 -1.51 0.00 0.00 37.83 32.24 1rj2 s LYS 874 CO 0.07 -0.70 2.31 1.63 -0.36 0.00 0.00 175.35 178.31 1rj2 n LYS 875 N 5.12 1.15 -0.23 4.03 5.02 -1.26 -1.21 118.16 130.77 1rj2 n LYS 875 Ca -0.11 0.24 -0.07 0.00 -2.02 0.00 0.00 58.31 56.34 1rj2 n LYS 875 Cb 0.47 -2.78 0.06 0.00 -0.02 0.00 0.00 35.03 32.76 1rj2 n LYS 875 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1rj2 n ARG 876 N 8.56 -1.67 -1.60 1.97 1.74 -1.26 -4.95 116.66 119.45 1rj2 n ARG 876 Ca 0.40 -0.42 0.04 0.00 -0.77 0.00 0.00 57.85 57.10 1rj2 n ARG 876 Cb 0.34 -0.41 0.03 0.00 -1.02 0.00 0.00 32.46 31.40 1rj2 n ARG 876 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1rj2 n GLU 877 N -2.39 0.26 -3.33 5.56 4.07 -1.26 -5.09 120.64 118.46 1rj2 n GLU 877 Ca 0.04 -2.22 -0.41 0.00 -0.06 0.00 0.00 57.16 54.51 1rj2 n GLU 877 Cb 0.14 -0.24 -0.02 0.00 -0.06 0.00 0.00 31.44 31.26 1rj2 n GLU 877 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 1rj2 n TYR 889 N 0.31 4.03 -1.52 4.31 4.02 -1.25 -5.34 117.16 121.73 1rj2 n TYR 889 Ca 0.07 -3.61 -0.45 0.00 -0.01 0.00 0.00 57.90 53.90 1rj2 n TYR 889 Cb 1.09 -1.34 -0.05 0.00 -0.02 0.00 0.00 39.34 39.02 1rj2 n TYR 889 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1rj2 n SER 890 N 2.04 2.44 -4.53 7.72 3.41 -0.35 -2.04 113.62 122.32 1rj2 n SER 890 Ca 0.24 0.16 -0.37 0.00 -0.26 0.00 0.00 58.87 58.64 1rj2 n SER 890 Cb 0.37 -1.40 0.06 0.00 -0.26 0.00 0.00 64.21 62.98 1rj2 n SER 890 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rj2 n TYR 891 N 11.65 -0.16 0.00 7.33 9.36 0.49 -0.54 117.16 145.30 1rj2 n TYR 891 Ca 0.38 0.39 0.00 0.00 3.32 0.00 0.00 57.90 61.99 1rj2 n TYR 891 Cb 0.35 -2.00 0.00 0.00 -0.63 0.00 0.00 39.34 37.06 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 -0.89 0.00 -4.30 2.98 4.76 0.84 -4.77 118.16 116.77 1rj2 n LYS 892 Ca 0.12 0.00 -0.16 0.00 -2.87 0.00 0.00 58.31 55.39 1rj2 n LYS 892 Cb 0.49 0.00 -0.10 0.00 -1.84 0.00 0.00 35.03 33.58 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 0.00 1.19 0.00 1.97 -2.07 -1.19 -4.97 119.66 114.59 1rj2 s GLN 893 Ca 0.00 -1.51 0.00 0.00 -1.82 0.00 0.00 55.36 52.03 1rj2 s GLN 893 Cb 0.00 -0.87 0.00 0.00 -1.09 0.00 0.00 33.01 31.05 1rj2 s GLN 893 CO 0.00 0.13 0.00 0.43 -1.32 0.00 0.00 175.29 174.53 1rj2 n SER 894 N -0.26 1.45 0.00 12.60 7.64 -1.26 -0.52 113.62 133.27 1rj2 n SER 894 Ca -0.09 -0.16 0.00 0.00 1.01 0.00 0.00 58.87 59.62 1rj2 n SER 894 Cb 0.60 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.80 1rj2 n SER 894 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1rj2 n LEU 895 N 0.00 0.00 0.00 -3.43 4.77 -1.26 -4.87 117.00 112.21 1rj2 n LEU 895 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1rj2 n LEU 895 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1rj2 n LEU 895 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.39 172.86 1rj2 n ASN 896 N 0.00 0.00 0.19 -1.43 4.05 -1.25 -4.64 115.26 112.19 1rj2 n ASN 896 Ca 0.00 0.00 0.10 0.00 0.45 0.00 0.00 54.58 55.13 1rj2 n ASN 896 Cb 0.00 0.00 0.53 0.00 1.23 0.00 0.00 39.78 41.54 1rj2 n ASN 896 CO 0.00 0.00 0.00 0.24 -3.05 0.00 0.00 177.26 174.45 1rj2 h MET 897 N 0.00 0.00 0.00 1.20 2.86 -1.83 1.21 114.93 118.37 1rj2 h MET 897 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1rj2 h MET 897 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 1rj2 h MET 897 CO 0.00 0.00 0.00 1.15 1.06 0.00 0.00 176.91 179.12 1rj2 h THR 898 N 0.00 0.00 0.00 2.22 2.02 -1.94 -2.95 112.91 112.27 1rj2 h THR 898 Ca 0.00 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 67.04 1rj2 h THR 898 Cb 0.39 0.83 0.00 0.00 -1.74 0.00 0.00 68.15 67.63 1rj2 h THR 898 CO 0.00 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.89 1rj2 n ALA 899 N -1.85 0.18 -2.66 6.16 0.00 0.35 -4.92 120.51 117.77 1rj2 n ALA 899 Ca -0.00 -0.01 -0.41 0.00 0.00 0.00 0.00 53.44 53.02 1rj2 n ALA 899 Cb 0.14 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.54 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 -0.07 4.90 0.34 0.00 1.01 0.26 0.35 120.40 127.19 1rj2 s VAL 900 Ca 0.00 1.51 0.07 0.00 0.00 0.00 0.00 61.98 63.56 1rj2 s VAL 900 Cb 0.00 -4.09 -0.07 0.00 0.00 0.00 0.00 36.38 32.23 1rj2 s VAL 900 CO 0.00 0.02 -0.04 -0.83 0.00 0.00 0.00 175.10 174.26 1rj2 s GLY 901 N 1.21 2.14 -0.17 4.51 0.00 0.61 -4.70 107.32 110.92 1rj2 s GLY 901 Ca 0.35 -2.08 -0.17 0.00 0.00 0.00 0.00 44.72 42.82 1rj2 s GLY 901 CO 0.11 -1.96 0.47 -1.50 0.00 0.00 0.00 173.10 170.22 1rj2 s ILE 902 N -2.85 0.00 -0.18 0.90 2.07 -1.26 -0.70 121.20 119.19 1rj2 s ILE 902 Ca 0.33 -0.01 -0.09 0.00 -1.41 0.00 0.00 60.65 59.47 1rj2 s ILE 902 Cb 0.05 -0.67 -0.05 0.00 0.13 0.00 0.00 42.46 41.93 1rj2 s ILE 902 CO 0.15 -0.01 0.11 -0.89 -1.91 0.00 0.00 174.94 172.40 1rj2 s THR 903 N 0.20 5.26 0.00 4.00 2.01 -0.72 -5.00 115.64 121.40 1rj2 s THR 903 Ca -0.00 0.13 0.00 0.00 0.31 0.00 0.00 61.69 62.13 1rj2 s THR 903 Cb -0.03 -3.37 0.00 0.00 0.01 0.00 0.00 72.50 69.11 1rj2 s THR 903 CO 0.01 0.48 0.00 1.21 -0.69 0.00 0.00 174.62 175.63 1rj2 n GLU 904 N 3.19 0.00 -3.98 4.92 4.07 -1.26 -3.22 120.64 124.36 1rj2 n GLU 904 Ca -0.17 0.00 -0.22 0.00 -0.06 0.00 0.00 57.16 56.71 1rj2 n GLU 904 Cb 0.53 0.00 -0.02 0.00 -0.06 0.00 0.00 31.44 31.88 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 -2.70 6.26 0.00 4.31 -0.87 -1.26 -4.45 114.94 116.23 1rj2 s ASN 905 Ca 0.00 0.06 0.00 0.00 -1.57 0.00 0.00 52.86 51.35 1rj2 s ASN 905 Cb 0.00 -1.83 0.00 0.00 -0.02 0.00 0.00 41.25 39.40 1rj2 s ASN 905 CO 0.00 -0.05 0.00 1.33 -2.57 0.00 0.00 177.10 175.81 1rj2 n VAL 906 N -1.28 0.00 -3.07 1.60 0.24 -1.18 -4.99 118.33 109.65 1rj2 n VAL 906 Ca -0.09 0.00 -0.21 0.00 -2.04 0.00 0.00 64.34 62.00 1rj2 n VAL 906 Cb 0.57 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.91 1rj2 n VAL 906 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1rj2 n LYS 907 N 0.00 1.86 0.00 7.34 5.02 -1.26 -4.81 118.16 126.31 1rj2 n LYS 907 Ca 0.00 -3.95 0.00 0.00 -2.02 0.00 0.00 58.31 52.34 1rj2 n LYS 907 Cb 0.00 -1.90 0.00 0.00 -0.02 0.00 0.00 35.03 33.11 1rj2 n LYS 907 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1rj2 n GLY 908 N 0.06 -0.18 3.15 0.72 0.00 -1.26 -5.12 105.19 102.57 1rj2 n GLY 908 Ca 0.27 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.34 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 0.00 -0.83 0.00 1.61 3.68 -1.26 -5.00 116.67 114.86 1rj2 s ASP 909 Ca 0.00 0.11 0.10 0.00 2.13 0.00 0.00 52.55 54.89 1rj2 s ASP 909 Cb 0.00 1.53 0.58 0.00 -1.45 0.00 0.00 42.92 43.58 1rj2 s ASP 909 CO 0.00 -0.15 1.03 0.35 0.13 0.00 0.00 175.17 176.53 1rj2 n THR 910 N 5.23 0.02 -1.13 1.71 -2.24 -1.26 -0.81 114.28 115.79 1rj2 n THR 910 Ca 0.07 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.95 1rj2 n THR 910 Cb 0.56 -0.85 0.17 0.00 -2.10 0.00 0.00 70.33 68.11 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 -1.01 1.59 -5.01 -0.78 2.85 -1.26 -4.70 118.16 109.84 1rj2 n LYS 911 Ca 0.07 -2.72 -0.28 0.00 -1.05 0.00 0.00 58.31 54.32 1rj2 n LYS 911 Cb 0.03 -1.58 -0.16 0.00 -0.65 0.00 0.00 35.03 32.67 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 -2.93 2.17 0.26 -1.58 2.47 0.01 -1.63 119.74 118.51 1rj2 s LYS 912 Ca 0.35 -0.73 -0.06 0.00 -1.56 0.00 0.00 55.97 53.96 1rj2 s LYS 912 Cb 0.30 -1.83 -0.01 0.00 -1.46 0.00 0.00 37.83 34.83 1rj2 s LYS 912 CO 0.03 0.28 0.37 -0.59 0.16 0.00 0.00 175.35 175.59 1rj2 s PHE 913 N 0.02 0.81 0.04 4.03 -0.12 0.66 -3.11 117.98 120.31 1rj2 s PHE 913 Ca -0.06 -1.08 0.03 0.00 -0.05 0.00 0.00 56.93 55.77 1rj2 s PHE 913 Cb -0.13 -0.13 -0.02 0.00 -0.63 0.00 0.00 43.02 42.11 1rj2 s PHE 913 CO 0.03 -0.91 -0.09 -1.83 -0.05 0.00 0.00 175.22 172.37 1rj2 s GLU 914 N -3.83 0.58 -0.04 1.99 -1.05 -1.20 0.65 118.70 115.81 1rj2 s GLU 914 Ca 0.30 -0.75 0.06 0.00 -0.15 0.00 0.00 54.97 54.43 1rj2 s GLU 914 Cb 0.02 -0.40 -0.01 0.00 -0.44 0.00 0.00 34.13 33.30 1rj2 s GLU 914 CO 0.13 0.08 -0.23 0.42 0.95 0.00 0.00 175.26 176.61 1rj2 s ILE 915 N -1.28 1.84 -0.00 1.83 1.01 -0.85 -1.75 121.20 122.00 1rj2 s ILE 915 Ca -0.08 -0.96 0.00 0.00 0.00 0.00 0.00 60.65 59.61 1rj2 s ILE 915 Cb -0.09 -1.55 -0.00 0.00 0.01 0.00 0.00 42.46 40.82 1rj2 s ILE 915 CO 0.01 0.52 -0.01 -1.66 0.00 0.00 0.00 174.94 173.80 1rj2 s TRP 916 N -0.26 0.08 -0.16 3.97 1.48 0.13 -0.41 118.94 123.77 1rj2 s TRP 916 Ca 0.01 -0.02 -0.22 0.00 -1.06 0.00 0.00 56.10 54.81 1rj2 s TRP 916 Cb -0.12 -0.05 -0.03 0.00 -1.16 0.00 0.00 33.47 32.12 1rj2 s TRP 916 CO 0.02 -0.00 0.66 -0.47 -4.06 0.00 0.00 176.95 173.10 1rj2 s TYR 917 N -0.03 3.44 0.00 1.66 5.04 -0.03 -0.28 117.35 127.14 1rj2 s TYR 917 Ca 0.00 1.04 0.00 0.00 -2.44 0.00 0.00 57.07 55.67 1rj2 s TYR 917 Cb -0.00 -2.81 0.00 0.00 0.35 0.00 0.00 41.96 39.50 1rj2 s TYR 917 CO -0.00 -0.10 0.00 0.09 -1.34 0.00 0.00 175.55 174.20 1rj2 n ASN 918 N 4.69 0.00 -3.98 4.32 4.13 1.09 -3.33 115.26 122.18 1rj2 n ASN 918 Ca -0.01 0.00 -0.43 0.00 1.68 0.00 0.00 54.58 55.82 1rj2 n ASN 918 Cb 0.50 0.00 0.01 0.00 -1.54 0.00 0.00 39.78 38.75 1rj2 n ASN 918 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1rj2 n ALA 919 N 11.56 5.24 -0.97 5.41 0.00 -1.26 -4.68 120.51 135.81 1rj2 n ALA 919 Ca 0.00 -4.79 -0.05 0.00 0.00 0.00 0.00 53.44 48.61 1rj2 n ALA 919 Cb 0.00 -2.36 -0.02 0.00 0.00 0.00 0.00 19.45 17.07 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 1.30 -1.32 0.00 0.00 1.74 -1.24 -4.67 116.66 112.47 1rj2 n ARG 920 Ca 0.27 0.30 0.02 0.00 -0.77 0.00 0.00 57.85 57.67 1rj2 n ARG 920 Cb 0.33 -4.17 0.13 0.00 -1.02 0.00 0.00 32.46 27.73 1rj2 n ARG 920 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 1rj2 n GLU 921 N -1.02 0.74 -3.00 5.56 0.28 -1.21 -3.84 120.64 118.15 1rj2 n GLU 921 Ca -0.05 0.00 0.02 0.00 -0.16 0.00 0.00 57.16 56.98 1rj2 n GLU 921 Cb 0.18 -1.09 -0.00 0.00 1.43 0.00 0.00 31.44 31.96 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 -2.00 0.44 -0.03 3.44 2.12 -1.24 -4.24 118.70 117.19 1rj2 s GLU 922 Ca 0.06 -0.07 -0.01 0.00 0.36 0.00 0.00 54.97 55.31 1rj2 s GLU 922 Cb 0.03 0.07 -0.04 0.00 0.26 0.00 0.00 34.13 34.45 1rj2 s GLU 922 CO 0.05 -0.66 0.07 0.08 -0.54 0.00 0.00 175.26 174.26 1rj2 s VAL 923 N 2.08 4.72 -0.15 3.70 1.01 -1.25 -0.85 120.40 129.66 1rj2 s VAL 923 Ca 0.16 -0.34 -0.00 0.00 0.00 0.00 0.00 61.98 61.80 1rj2 s VAL 923 Cb -0.01 -3.12 0.03 0.00 0.00 0.00 0.00 36.38 33.28 1rj2 s VAL 923 CO -0.14 0.41 -0.08 -0.31 0.00 0.00 0.00 175.10 174.99 1rj2 s TYR 924 N -1.13 1.79 -0.24 5.22 1.51 0.46 -2.89 117.35 122.06 1rj2 s TYR 924 Ca 0.21 -1.07 -0.24 0.00 -1.01 0.00 0.00 57.07 54.96 1rj2 s TYR 924 Cb -0.12 -1.37 -0.01 0.00 -0.11 0.00 0.00 41.96 40.36 1rj2 s TYR 924 CO 0.11 -0.61 0.82 0.42 -1.11 0.00 0.00 175.55 175.18 1rj2 s ILE 925 N 1.61 4.85 -0.16 2.71 1.01 0.29 -2.00 121.20 129.50 1rj2 s ILE 925 Ca 0.02 1.54 -0.02 0.00 0.00 0.00 0.00 60.65 62.19 1rj2 s ILE 925 Cb -0.14 -4.10 -0.02 0.00 0.01 0.00 0.00 42.46 38.21 1rj2 s ILE 925 CO -0.08 -0.07 -0.09 -0.63 0.00 0.00 0.00 174.94 174.07 1rj2 s ILE 926 N 2.82 3.30 -0.50 2.92 1.01 0.21 -1.26 121.20 129.71 1rj2 s ILE 926 Ca 0.34 -0.56 -0.05 0.00 0.00 0.00 0.00 60.65 60.39 1rj2 s ILE 926 Cb -0.15 -2.43 0.13 0.00 0.01 0.00 0.00 42.46 40.02 1rj2 s ILE 926 CO 0.07 0.49 0.32 -1.58 0.00 0.00 0.00 174.94 174.25 1rj2 s GLN 927 N 0.63 2.32 0.39 2.79 0.74 -1.04 -0.24 119.66 125.25 1rj2 s GLN 927 Ca -0.05 -2.03 -0.25 0.00 0.05 0.00 0.00 55.36 53.08 1rj2 s GLN 927 Cb -0.15 -3.73 -0.09 0.00 1.10 0.00 0.00 33.01 30.14 1rj2 s GLN 927 CO 0.03 -1.14 1.13 0.00 -0.55 0.00 0.00 175.29 174.76 1rj2 s ALA 928 N 0.83 3.15 -0.69 1.58 0.00 -0.64 -3.14 121.76 122.85 1rj2 s ALA 928 Ca 0.10 0.89 0.00 0.00 0.00 0.00 0.00 51.96 52.95 1rj2 s ALA 928 Cb -0.22 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.55 1rj2 s ALA 928 CO -0.03 -0.41 0.84 -0.35 0.00 0.00 0.00 175.76 175.81 1rj2 n PRO 929 N 0.11 0.00 -3.51 0.00 -0.04 -1.26 -4.63 135.00 125.67 1rj2 n PRO 929 Ca 0.04 0.34 -0.17 0.00 -0.04 0.00 0.00 63.50 63.67 1rj2 n PRO 929 Cb 0.47 -1.66 -0.06 0.00 -0.04 0.00 0.00 33.50 32.22 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 -2.69 0.00 0.54 0.52 -4.23 -1.26 -5.03 115.64 103.50 1rj2 s THR 930 Ca 0.00 -0.01 0.25 0.00 -1.18 0.00 0.00 61.69 60.75 1rj2 s THR 930 Cb 0.00 -0.99 0.37 0.00 1.34 0.00 0.00 72.50 73.21 1rj2 s THR 930 CO 0.00 -0.00 2.04 -0.65 -0.54 0.00 0.00 174.62 175.46 1rj2 h PRO 931 N 2.92 0.00 0.05 3.99 0.11 -1.84 -2.17 132.00 135.07 1rj2 h PRO 931 Ca -0.28 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.83 1rj2 h PRO 931 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1rj2 h PRO 931 CO 0.39 0.00 -0.03 0.93 -0.21 0.00 0.00 178.00 179.08 1rj2 h GLU 932 N 0.00 -0.07 -0.92 1.05 3.07 -1.96 -1.86 114.58 113.89 1rj2 h GLU 932 Ca 0.17 0.00 0.12 0.00 -0.50 0.00 0.00 59.36 59.16 1rj2 h GLU 932 Cb 0.75 0.02 -0.08 0.00 -0.84 0.00 0.00 28.75 28.59 1rj2 h GLU 932 CO -0.00 0.28 0.55 0.82 -1.40 0.00 0.00 179.01 179.26 1rj2 h ILE 933 N -0.43 0.88 -0.02 3.13 1.08 -1.78 0.89 117.51 121.27 1rj2 h ILE 933 Ca -0.01 -0.30 -0.00 0.00 -0.39 0.00 0.00 64.86 64.16 1rj2 h ILE 933 Cb 0.38 -0.06 -0.00 0.00 -3.07 0.00 0.00 36.82 34.07 1rj2 h ILE 933 CO 0.01 0.16 0.01 0.50 -0.69 0.00 0.00 178.15 178.14 1rj2 h LYS 934 N 0.87 0.03 -0.41 2.37 3.64 -1.47 0.23 116.57 121.83 1rj2 h LYS 934 Ca 0.46 -0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.91 1rj2 h LYS 934 Cb 0.48 -0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.23 1rj2 h LYS 934 CO -0.28 0.22 0.03 0.00 -2.27 0.00 0.00 179.45 177.16 1rj2 h ALA 935 N 0.81 0.40 0.16 5.00 0.00 -0.26 -0.57 119.26 124.81 1rj2 h ALA 935 Ca 0.01 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1rj2 h ALA 935 Cb 0.20 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1rj2 h ALA 935 CO -0.00 -0.37 -0.16 0.00 0.00 0.00 0.00 179.25 178.72 1rj2 h ALA 936 N 1.34 -0.88 -0.77 0.00 0.00 0.11 -2.67 119.26 116.41 1rj2 h ALA 936 Ca 0.20 -0.06 0.16 0.00 0.00 0.00 0.00 54.91 55.21 1rj2 h ALA 936 Cb 0.28 0.40 -0.10 0.00 0.00 0.00 0.00 17.79 18.36 1rj2 h ALA 936 CO -0.31 -0.89 0.26 -1.49 0.00 0.00 0.00 179.25 176.83 1rj2 h TRP 937 N -0.32 0.44 -0.52 0.00 4.06 -0.41 0.47 115.95 119.67 1rj2 h TRP 937 Ca -0.02 0.04 0.10 0.00 2.06 0.00 0.00 58.89 61.07 1rj2 h TRP 937 Cb 0.27 -0.08 -0.08 0.00 -1.00 0.00 0.00 29.16 28.28 1rj2 h TRP 937 CO -0.12 -0.01 0.07 0.28 -3.56 0.00 0.00 178.44 175.09 1rj2 h VAL 938 N 0.37 0.66 -0.28 1.49 2.07 -1.05 0.41 116.25 119.92 1rj2 h VAL 938 Ca 0.43 -0.07 -0.16 0.00 0.82 0.00 0.00 66.70 67.72 1rj2 h VAL 938 Cb 0.72 0.44 -0.00 0.00 -1.52 0.00 0.00 31.29 30.93 1rj2 h VAL 938 CO -0.46 0.04 -0.47 0.78 0.02 0.00 0.00 177.57 177.47 1rj2 h ASN 939 N 0.19 0.89 0.47 0.57 2.35 -0.72 0.93 115.58 120.26 1rj2 h ASN 939 Ca 0.27 -0.52 0.00 0.00 -0.55 0.00 0.00 56.30 55.49 1rj2 h ASN 939 Cb 0.39 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.50 1rj2 h ASN 939 CO -0.38 1.25 0.00 1.21 -1.65 0.00 0.00 177.43 177.85 1rj2 n GLU 940 N -4.10 0.08 -0.13 0.81 4.07 0.15 -2.47 120.64 119.05 1rj2 n GLU 940 Ca -0.04 0.38 -0.23 0.00 -0.06 0.00 0.00 57.16 57.20 1rj2 n GLU 940 Cb 0.58 -1.67 -0.11 0.00 -0.06 0.00 0.00 31.44 30.18 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 -1.83 1.45 0.00 6.31 2.08 0.14 -3.88 119.36 123.62 1rj2 n ILE 941 Ca 0.02 -0.46 0.00 0.00 0.56 0.00 0.00 62.75 62.87 1rj2 n ILE 941 Cb 0.16 -1.63 0.00 0.00 -0.75 0.00 0.00 39.64 37.42 1rj2 n ILE 941 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 1rj2 n ARG 942 N -3.72 0.00 -0.07 0.38 5.12 0.32 -0.36 116.66 118.33 1rj2 n ARG 942 Ca -0.48 0.29 -0.05 0.00 -1.93 0.00 0.00 57.85 55.67 1rj2 n ARG 942 Cb 0.92 -1.51 -0.02 0.00 -1.16 0.00 0.00 32.46 30.70 1rj2 n ARG 942 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1rj2 n LYS 943 N -1.28 0.41 0.11 5.56 5.02 -1.03 -3.20 118.16 123.75 1rj2 n LYS 943 Ca 0.00 0.46 0.08 0.00 -2.02 0.00 0.00 58.31 56.83 1rj2 n LYS 943 Cb 0.01 -1.56 0.55 0.00 -0.02 0.00 0.00 35.03 34.01 1rj2 n LYS 943 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1rj2 h VAL 944 N -0.89 1.01 0.15 -0.18 2.07 -1.44 0.57 116.25 117.54 1rj2 h VAL 944 Ca 0.00 -0.08 -0.30 0.00 0.82 0.00 0.00 66.70 67.14 1rj2 h VAL 944 Cb 0.51 0.74 0.02 0.00 -1.52 0.00 0.00 31.29 31.04 1rj2 h VAL 944 CO 0.00 0.05 -1.29 0.25 0.02 0.00 0.00 177.57 176.60 1rj2 h LEU 945 N 0.25 0.74 -0.31 2.57 5.85 -0.90 -3.27 115.31 120.23 1rj2 h LEU 945 Ca 0.10 -0.73 -0.15 0.00 0.84 0.00 0.00 57.88 57.95 1rj2 h LEU 945 Cb 0.11 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 1rj2 h LEU 945 CO -0.02 1.55 -0.72 0.00 -0.34 0.00 0.00 178.44 178.91 1rj2 h THR 946 N 0.19 1.36 0.00 1.05 1.03 -1.37 -3.15 112.91 112.02 1rj2 h THR 946 Ca -0.19 -2.61 0.00 0.00 -0.01 0.00 0.00 66.41 63.61 1rj2 h THR 946 Cb 1.98 2.47 0.00 0.00 -1.07 0.00 0.00 68.15 71.52 1rj2 h THR 946 CO 0.24 0.71 0.00 -1.20 -0.01 0.00 0.00 175.52 175.25 1rj2 n SER 947 N -3.46 2.53 0.00 0.00 7.64 0.19 -0.68 113.62 119.85 1rj2 n SER 947 Ca 0.00 -1.54 0.00 0.00 1.01 0.00 0.00 58.87 58.35 1rj2 n SER 947 Cb 0.76 -0.48 0.00 0.00 -1.01 0.00 0.00 64.21 63.48 1rj2 n SER 947 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1rj2 n GLN 948 N 1.04 0.00 -0.04 1.43 10.64 -1.24 -4.84 117.38 124.37 1rj2 n GLN 948 Ca 0.00 0.00 -0.15 0.00 -1.83 0.00 0.00 57.00 55.02 1rj2 n GLN 948 Cb 0.33 -0.05 -0.09 0.00 -0.86 0.00 0.00 30.24 29.57 1rj2 n GLN 948 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.06 175.16 1rj2 h LEU 949 N 0.00 0.45 -1.57 2.61 3.38 -1.31 -2.16 115.31 116.71 1rj2 h LEU 949 Ca 0.00 -0.61 -0.02 0.00 0.09 0.00 0.00 57.88 57.34 1rj2 h LEU 949 Cb 0.00 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1rj2 h LEU 949 CO 0.00 0.98 0.02 0.00 0.09 0.00 0.00 178.44 179.53 1rj2 n GLN 950 N -4.41 1.30 0.00 1.13 6.02 0.15 -4.48 117.38 117.09 1rj2 n GLN 950 Ca -0.08 -0.31 0.00 0.00 -0.01 0.00 0.00 57.00 56.61 1rj2 n GLN 950 Cb 0.49 -1.42 0.00 0.00 1.02 0.00 0.00 30.24 30.33 1rj2 n GLN 950 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1rj2 n ALA 951 N 0.15 0.00 -1.13 -1.58 0.00 -0.97 -5.02 120.51 111.96 1rj2 n ALA 951 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1rj2 n ALA 951 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 1rj2 n ALA 951 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50