#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x2k h PRO 701 N 0.00 0.22 0.10 1.61 0.11 -2.06 -2.77 132.00 129.21 2x2k h PRO 701 Ca 0.00 -0.01 -0.16 0.00 0.11 0.00 0.00 66.00 65.94 2x2k h PRO 701 Cb 0.00 -0.05 0.01 0.00 0.11 0.00 0.00 31.00 31.07 2x2k h PRO 701 CO 0.00 0.14 -0.72 1.25 -0.21 0.00 0.00 178.00 178.47 2x2k h LEU 702 N 0.22 0.35 -1.35 2.35 5.85 -1.98 -2.58 115.31 118.17 2x2k h LEU 702 Ca 0.57 -0.94 0.12 0.00 0.84 0.00 0.00 57.88 58.47 2x2k h LEU 702 Cb 1.78 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 42.64 2x2k h LEU 702 CO -0.18 1.34 0.54 0.77 -0.34 0.00 0.00 178.44 180.57 2x2k h SER 703 N -0.52 0.63 0.16 1.25 4.64 -1.94 0.45 113.55 118.22 2x2k h SER 703 Ca -0.14 0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.20 2x2k h SER 703 Cb 1.51 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.50 2x2k h SER 703 CO 0.10 0.35 -0.08 -0.07 -0.87 0.00 0.00 176.83 176.27 2x2k h LEU 704 N 0.69 -0.18 -1.40 5.97 3.38 -1.57 -1.31 115.31 120.89 2x2k h LEU 704 Ca 0.40 -0.17 0.06 0.00 0.09 0.00 0.00 57.88 58.26 2x2k h LEU 704 Cb 0.58 0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.34 2x2k h LEU 704 CO -0.16 0.07 0.46 0.28 0.09 0.00 0.00 178.44 179.17 2x2k h SER 705 N -0.43 0.65 0.36 -0.43 0.02 -0.93 0.98 113.55 113.77 2x2k h SER 705 Ca -0.02 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.70 2x2k h SER 705 Cb 0.34 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.74 2x2k h SER 705 CO 0.04 0.43 -0.95 0.58 -1.14 0.00 0.00 176.83 175.79 2x2k h VAL 706 N 0.75 1.41 -0.07 2.27 2.07 -0.01 -2.76 116.25 119.91 2x2k h VAL 706 Ca 0.29 -2.48 -0.20 0.00 0.82 0.00 0.00 66.70 65.13 2x2k h VAL 706 Cb 0.21 2.44 0.01 0.00 -1.52 0.00 0.00 31.29 32.43 2x2k h VAL 706 CO -0.09 0.74 -0.75 -0.78 0.02 0.00 0.00 177.57 176.71 2x2k h ASP 707 N 0.22 0.78 -0.34 0.57 3.58 -0.89 -2.44 116.42 117.90 2x2k h ASP 707 Ca -0.08 -0.68 0.02 0.00 0.42 0.00 0.00 57.03 56.70 2x2k h ASP 707 Cb 1.59 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 42.38 2x2k h ASP 707 CO 0.16 1.35 0.19 0.00 -2.88 0.00 0.00 179.24 178.07 2x2k h ALA 708 N 0.45 0.43 -0.02 -0.78 0.00 -0.89 -2.98 119.26 115.46 2x2k h ALA 708 Ca -0.07 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2x2k h ALA 708 Cb 1.40 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.11 2x2k h ALA 708 CO 0.15 -0.17 0.01 0.35 0.00 0.00 0.00 179.25 179.60 2x2k h PHE 709 N 0.40 0.02 0.00 0.00 3.57 -1.58 -3.46 116.94 115.89 2x2k h PHE 709 Ca 0.14 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.64 2x2k h PHE 709 Cb 0.02 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 38.75 2x2k h PHE 709 CO -0.08 0.04 0.00 1.17 -2.23 0.00 0.00 178.31 177.20 2x2k n LYS 710 N -5.07 0.76 -2.70 1.11 4.81 -0.92 -5.11 118.16 111.06 2x2k n LYS 710 Ca -0.07 0.00 -0.02 0.00 -0.87 0.00 0.00 58.31 57.35 2x2k n LYS 710 Cb 0.04 -1.18 0.12 0.00 0.02 0.00 0.00 35.03 34.03 2x2k n LYS 710 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 2x2k n ILE 711 N 0.50 0.19 0.00 3.15 5.41 -1.23 -5.01 119.36 122.38 2x2k n ILE 711 Ca 0.00 -1.33 0.00 0.00 1.00 0.00 0.00 62.75 62.42 2x2k n ILE 711 Cb 0.34 1.04 0.00 0.00 -0.71 0.00 0.00 39.64 40.31 2x2k n ILE 711 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 2x2k n PRO 715 N -1.35 0.00 0.20 0.38 -0.04 -1.26 -5.02 135.00 127.91 2x2k n PRO 715 Ca -0.13 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.41 2x2k n PRO 715 Cb 0.87 0.00 0.23 0.00 -0.04 0.00 0.00 33.50 34.55 2x2k n PRO 715 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 2x2k h LYS 716 N 0.00 0.00 0.00 0.54 3.64 -2.03 -3.33 116.57 115.40 2x2k h LYS 716 Ca 0.00 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.33 2x2k h LYS 716 Cb 0.00 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 2x2k h LYS 716 CO 0.00 0.24 -1.69 0.91 -2.27 0.00 0.00 179.45 176.64 2x2k n TRP 717 N -3.21 0.00 -2.14 1.91 7.02 -1.26 -4.93 117.44 114.82 2x2k n TRP 717 Ca 0.02 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.08 2x2k n TRP 717 Cb 0.56 -0.39 -0.03 0.00 -2.42 0.00 0.00 31.31 29.04 2x2k n TRP 717 CO 0.00 0.00 0.00 -2.00 -2.02 0.00 0.00 177.69 173.67 2x2k s GLU 718 N -2.82 4.25 -0.04 -0.99 2.56 -1.25 -0.54 118.70 119.87 2x2k s GLU 718 Ca -0.05 2.06 0.07 0.00 0.00 0.00 0.00 54.97 57.04 2x2k s GLU 718 Cb 0.08 -3.64 -0.02 0.00 2.00 0.00 0.00 34.13 32.55 2x2k s GLU 718 CO 0.57 -0.65 -0.25 0.12 -0.56 0.00 0.00 175.26 174.48 2x2k s PHE 719 N 2.72 2.34 0.10 5.30 5.36 -0.02 -4.88 117.98 128.89 2x2k s PHE 719 Ca 0.67 -0.56 -0.31 0.00 -0.96 0.00 0.00 56.93 55.77 2x2k s PHE 719 Cb -0.33 -1.52 -0.08 0.00 -0.34 0.00 0.00 43.02 40.75 2x2k s PHE 719 CO 0.27 -0.12 1.41 -2.14 -1.46 0.00 0.00 175.22 173.19 2x2k s PRO 720 N -0.41 4.30 0.33 10.12 0.02 -1.26 -4.48 135.00 143.63 2x2k s PRO 720 Ca 0.04 2.08 0.07 0.00 0.02 0.00 0.00 61.00 63.22 2x2k s PRO 720 Cb -0.11 -3.31 0.76 0.00 0.02 0.00 0.00 34.50 31.86 2x2k s PRO 720 CO 0.01 -0.48 1.85 -0.09 -0.33 0.00 0.00 177.00 177.96 2x2k h ARG 721 N 7.04 0.73 0.00 5.54 9.65 -1.95 -2.13 114.38 133.26 2x2k h ARG 721 Ca -0.42 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.42 2x2k h ARG 721 Cb 1.20 -0.17 0.00 0.00 -1.39 0.00 0.00 29.97 29.62 2x2k h ARG 721 CO 0.88 0.49 0.00 0.36 2.80 0.00 0.00 179.97 184.49 2x2k n LYS 722 N -4.60 0.08 -0.17 0.20 0.00 -1.26 -1.84 118.16 110.58 2x2k n LYS 722 Ca 0.19 0.33 0.10 0.00 -0.00 0.00 0.00 58.31 58.93 2x2k n LYS 722 Cb 0.47 -1.66 0.28 0.00 -0.00 0.00 0.00 35.03 34.12 2x2k n LYS 722 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 2x2k n ASN 723 N -1.82 2.63 -4.39 -5.58 4.13 -0.80 -4.88 115.26 104.55 2x2k n ASN 723 Ca 0.03 -1.89 -0.33 0.00 1.68 0.00 0.00 54.58 54.07 2x2k n ASN 723 Cb 0.19 -0.22 -0.14 0.00 -1.54 0.00 0.00 39.78 38.07 2x2k n ASN 723 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 2x2k s LEU 724 N -1.40 2.68 -0.11 3.41 2.96 -0.77 0.12 118.68 125.58 2x2k s LEU 724 Ca 0.35 -0.31 0.03 0.00 -0.22 0.00 0.00 54.13 53.98 2x2k s LEU 724 Cb 0.20 -1.58 0.01 0.00 0.50 0.00 0.00 46.19 45.31 2x2k s LEU 724 CO 0.28 0.21 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.63 2x2k s VAL 725 N 0.08 1.78 0.14 1.68 1.01 0.10 -4.99 120.40 120.20 2x2k s VAL 725 Ca -0.06 -0.83 -0.11 0.00 0.00 0.00 0.00 61.98 60.98 2x2k s VAL 725 Cb -0.15 -1.58 -0.06 0.00 0.00 0.00 0.00 36.38 34.59 2x2k s VAL 725 CO 0.05 0.50 0.47 -0.76 0.00 0.00 0.00 175.10 175.36 2x2k s LEU 726 N 0.69 4.30 0.00 3.92 1.43 -1.26 -0.88 118.68 126.88 2x2k s LEU 726 Ca -0.12 0.88 0.00 0.00 -1.03 0.00 0.00 54.13 53.87 2x2k s LEU 726 Cb -0.16 -3.25 0.00 0.00 0.03 0.00 0.00 46.19 42.81 2x2k s LEU 726 CO 0.02 0.09 0.00 0.61 0.23 0.00 0.00 176.35 177.30 2x2k n GLY 727 N 0.57 5.33 3.72 -3.19 0.00 0.14 -4.95 105.19 106.80 2x2k n GLY 727 Ca -0.05 -1.40 -0.33 0.00 0.00 0.00 0.00 46.02 44.24 2x2k n GLY 727 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2x2k s LYS 728 N 3.66 1.89 0.33 1.61 -2.85 -1.26 -4.44 119.74 118.68 2x2k s LYS 728 Ca 0.00 1.64 -0.27 0.00 -1.00 0.00 0.00 55.97 56.35 2x2k s LYS 728 Cb 0.00 -1.82 -0.09 0.00 -2.06 0.00 0.00 37.83 33.86 2x2k s LYS 728 CO 0.00 -2.00 1.02 0.99 0.10 0.00 0.00 175.35 175.46 2x2k s THR 729 N -2.25 3.84 -0.09 3.79 2.01 -1.26 -0.35 115.64 121.33 2x2k s THR 729 Ca 0.71 1.59 0.14 0.00 0.31 0.00 0.00 61.69 64.43 2x2k s THR 729 Cb -0.26 -3.91 -0.21 0.00 0.01 0.00 0.00 72.50 68.13 2x2k s THR 729 CO 0.49 0.18 0.34 0.18 -0.69 0.00 0.00 174.62 175.12 2x2k n LEU 730 N 0.57 0.07 0.00 4.42 4.77 0.54 -4.81 117.00 122.56 2x2k n LEU 730 Ca 0.02 -0.06 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 2x2k n LEU 730 Cb 0.48 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 2x2k n LEU 730 CO 0.47 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 2x2k n GLY 731 N 1.66 2.67 3.26 -0.72 0.00 -1.20 -5.01 105.19 105.86 2x2k n GLY 731 Ca -0.02 -1.02 -0.34 0.00 0.00 0.00 0.00 46.02 44.63 2x2k n GLY 731 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2x2k s GLU 732 N -2.03 3.27 0.00 1.61 8.01 -1.26 -0.87 118.70 127.43 2x2k s GLU 732 Ca 0.00 -0.68 0.00 0.00 0.01 0.00 0.00 54.97 54.30 2x2k s GLU 732 Cb 0.00 -2.89 0.00 0.00 -4.31 0.00 0.00 34.13 26.93 2x2k s GLU 732 CO 0.00 -0.20 0.00 0.41 0.01 0.00 0.00 175.26 175.48 2x2k n GLY 733 N 4.73 1.37 2.42 -1.39 0.00 0.22 -4.97 105.19 107.57 2x2k n GLY 733 Ca -0.19 -1.82 -0.25 0.00 0.00 0.00 0.00 46.02 43.76 2x2k n GLY 733 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2x2k n GLU 734 N 0.00 2.34 0.00 1.61 1.02 -1.26 -3.96 120.64 120.39 2x2k n GLU 734 Ca 0.00 -2.17 0.00 0.00 -0.02 0.00 0.00 57.16 54.97 2x2k n GLU 734 Cb 0.00 -2.12 0.00 0.00 -0.02 0.00 0.00 31.44 29.30 2x2k n GLU 734 CO 0.00 0.00 0.00 1.97 1.18 0.00 0.00 177.13 180.28 2x2k n PHE 735 N 1.06 0.00 -4.48 -0.32 -1.74 -1.26 -4.96 117.46 105.76 2x2k n PHE 735 Ca 0.48 0.00 -0.23 0.00 -0.56 0.00 0.00 57.45 57.14 2x2k n PHE 735 Cb 0.60 0.00 -0.11 0.00 1.52 0.00 0.00 39.48 41.49 2x2k n PHE 735 CO 0.00 0.00 0.00 0.20 -0.56 0.00 0.00 176.76 176.40 2x2k s GLY 736 N -0.27 2.13 -0.05 4.97 0.00 -1.25 -4.14 107.32 108.70 2x2k s GLY 736 Ca 0.00 -2.09 0.04 0.00 0.00 0.00 0.00 44.72 42.67 2x2k s GLY 736 CO 0.00 -1.88 -0.15 1.25 0.00 0.00 0.00 173.10 172.32 2x2k s LYS 737 N -3.83 2.49 -0.19 2.90 2.20 -0.13 0.72 119.74 123.90 2x2k s LYS 737 Ca 0.35 -0.72 -0.02 0.00 -0.36 0.00 0.00 55.97 55.22 2x2k s LYS 737 Cb 0.08 -2.35 -0.01 0.00 -1.51 0.00 0.00 37.83 34.04 2x2k s LYS 737 CO 0.15 0.61 -0.09 0.08 -0.36 0.00 0.00 175.35 175.74 2x2k s VAL 738 N -0.70 3.09 0.13 4.02 1.01 -0.05 -1.51 120.40 126.39 2x2k s VAL 738 Ca 0.11 -0.60 0.06 0.00 0.00 0.00 0.00 61.98 61.54 2x2k s VAL 738 Cb -0.11 -2.37 -0.04 0.00 0.00 0.00 0.00 36.38 33.87 2x2k s VAL 738 CO 0.00 0.47 0.01 0.68 0.00 0.00 0.00 175.10 176.27 2x2k s VAL 739 N 1.15 3.94 0.41 2.92 -7.23 0.09 -0.34 120.40 121.35 2x2k s VAL 739 Ca 0.01 -1.17 -0.24 0.00 -1.81 0.00 0.00 61.98 58.78 2x2k s VAL 739 Cb -0.14 -2.93 -0.09 0.00 0.56 0.00 0.00 36.38 33.78 2x2k s VAL 739 CO -0.03 0.01 1.07 -0.75 -0.31 0.00 0.00 175.10 175.09 2x2k s LYS 740 N -2.63 4.07 0.27 4.82 2.20 0.53 -0.99 119.74 128.00 2x2k s LYS 740 Ca 0.27 1.55 -0.10 0.00 -0.36 0.00 0.00 55.97 57.33 2x2k s LYS 740 Cb -0.11 -2.49 -0.00 0.00 -1.51 0.00 0.00 37.83 33.72 2x2k s LYS 740 CO 0.19 -0.23 0.45 0.00 -0.36 0.00 0.00 175.35 175.40 2x2k s ALA 741 N -1.66 0.09 -0.00 3.13 0.00 -0.56 0.23 121.76 122.99 2x2k s ALA 741 Ca 0.59 -1.09 0.01 0.00 0.00 0.00 0.00 51.96 51.48 2x2k s ALA 741 Cb -0.23 1.11 -0.00 0.00 0.00 0.00 0.00 23.12 24.00 2x2k s ALA 741 CO 0.28 -0.82 -0.04 -0.08 0.00 0.00 0.00 175.76 175.11 2x2k s THR 742 N -3.77 0.28 -0.05 0.00 -1.32 -0.06 -1.44 115.64 109.28 2x2k s THR 742 Ca 0.26 -0.18 0.03 0.00 -1.21 0.00 0.00 61.69 60.59 2x2k s THR 742 Cb 0.00 -0.25 0.00 0.00 -1.51 0.00 0.00 72.50 70.75 2x2k s THR 742 CO 0.12 0.06 -0.15 0.00 -2.21 0.00 0.00 174.62 172.44 2x2k s ALA 743 N -0.12 1.42 -0.25 11.08 0.00 0.16 -0.73 121.76 133.32 2x2k s ALA 743 Ca 0.01 -0.59 -0.11 0.00 0.00 0.00 0.00 51.96 51.27 2x2k s ALA 743 Cb -0.02 -0.53 -0.05 0.00 0.00 0.00 0.00 23.12 22.53 2x2k s ALA 743 CO -0.00 0.21 0.20 0.12 0.00 0.00 0.00 175.76 176.30 2x2k s PHE 744 N 0.27 3.29 -1.09 0.00 5.36 0.12 -0.53 117.98 125.40 2x2k s PHE 744 Ca -0.08 0.25 -0.07 0.00 -0.96 0.00 0.00 56.93 56.07 2x2k s PHE 744 Cb -0.13 -2.34 -0.05 0.00 -0.34 0.00 0.00 43.02 40.16 2x2k s PHE 744 CO 0.03 -0.02 0.91 1.58 -1.46 0.00 0.00 175.22 176.26 2x2k n HIS 745 N 4.57 -2.34 -3.03 10.12 -0.00 -0.60 -4.88 115.22 119.07 2x2k n HIS 745 Ca -0.14 0.82 -0.42 0.00 0.46 0.00 0.00 57.72 58.44 2x2k n HIS 745 Cb 0.52 -4.17 -0.06 0.00 -0.12 0.00 0.00 29.99 26.16 2x2k n HIS 745 CO 0.00 0.00 0.00 -1.17 0.46 0.00 0.00 176.34 175.63 2x2k s LEU 746 N -5.70 4.21 -1.04 0.27 2.96 -1.20 -4.50 118.68 113.68 2x2k s LEU 746 Ca 0.39 0.21 -0.23 0.00 -0.22 0.00 0.00 54.13 54.28 2x2k s LEU 746 Cb -0.06 -2.91 0.03 0.00 0.50 0.00 0.00 46.19 43.75 2x2k s LEU 746 CO 0.76 -0.69 0.62 0.29 -1.32 0.00 0.00 176.35 176.01 2x2k n LYS 747 N 6.27 -0.64 -0.75 1.98 5.02 -1.26 -1.40 118.16 127.39 2x2k n LYS 747 Ca 0.01 0.25 0.00 0.00 -2.02 0.00 0.00 58.31 56.55 2x2k n LYS 747 Cb 0.48 -2.21 0.00 0.00 -0.02 0.00 0.00 35.03 33.28 2x2k n LYS 747 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2x2k n GLY 748 N -1.90 1.14 3.60 0.72 0.00 -1.26 -5.00 105.19 102.48 2x2k n GLY 748 Ca -0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 2x2k n GLY 748 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2x2k s ARG 749 N -0.14 3.89 0.39 1.61 0.52 -0.49 -5.05 118.95 119.68 2x2k s ARG 749 Ca 0.00 0.39 -0.25 0.00 -0.52 0.00 0.00 55.73 55.34 2x2k s ARG 749 Cb 0.00 -3.74 -0.09 0.00 0.52 0.00 0.00 34.95 31.64 2x2k s ARG 749 CO 0.00 -0.65 1.11 0.00 0.02 0.00 0.00 175.30 175.78 2x2k s ALA 750 N 2.80 3.15 0.00 2.13 0.00 -1.26 -3.20 121.76 125.37 2x2k s ALA 750 Ca 0.28 0.85 0.00 0.00 0.00 0.00 0.00 51.96 53.10 2x2k s ALA 750 Cb -0.14 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.65 2x2k s ALA 750 CO 0.13 -0.36 0.00 0.41 0.00 0.00 0.00 175.76 175.94 2x2k n GLY 751 N 0.59 -1.85 3.79 0.00 0.00 -1.26 -4.88 105.19 101.58 2x2k n GLY 751 Ca 0.04 -1.50 -0.39 0.00 0.00 0.00 0.00 46.02 44.17 2x2k n GLY 751 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2x2k s TYR 752 N 0.00 3.84 -0.11 1.61 1.51 -1.26 -1.55 117.35 121.39 2x2k s TYR 752 Ca 0.00 1.42 0.03 0.00 -1.01 0.00 0.00 57.07 57.51 2x2k s TYR 752 Cb 0.00 -2.62 0.00 0.00 -0.11 0.00 0.00 41.96 39.24 2x2k s TYR 752 CO 0.00 0.54 -0.23 0.99 -1.11 0.00 0.00 175.55 175.74 2x2k s THR 753 N -1.06 2.03 -0.05 -0.71 2.01 0.31 -4.90 115.64 113.27 2x2k s THR 753 Ca 0.32 -0.99 -0.30 0.00 0.31 0.00 0.00 61.69 61.04 2x2k s THR 753 Cb -0.21 -1.77 -0.05 0.00 0.01 0.00 0.00 72.50 70.48 2x2k s THR 753 CO 0.22 0.55 1.55 -0.89 -0.69 0.00 0.00 174.62 175.36 2x2k s THR 754 N 0.54 3.68 0.35 -0.82 2.01 -1.26 -0.67 115.64 119.47 2x2k s THR 754 Ca -0.14 0.89 0.03 0.00 0.31 0.00 0.00 61.69 62.78 2x2k s THR 754 Cb -0.17 -3.57 -0.04 0.00 0.01 0.00 0.00 72.50 68.73 2x2k s THR 754 CO 0.05 -0.06 0.11 0.68 -0.69 0.00 0.00 174.62 174.71 2x2k s VAL 755 N 3.59 0.72 0.06 3.82 -7.23 -0.52 -4.47 120.40 116.37 2x2k s VAL 755 Ca 0.69 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.93 2x2k s VAL 755 Cb -0.32 -2.53 -0.03 0.00 0.56 0.00 0.00 36.38 34.06 2x2k s VAL 755 CO 0.27 0.00 -0.18 0.00 -0.31 0.00 0.00 175.10 174.88 2x2k s ALA 756 N -3.35 2.63 -0.13 1.32 0.00 0.27 -1.50 121.76 121.00 2x2k s ALA 756 Ca 0.31 -1.24 0.01 0.00 0.00 0.00 0.00 51.96 51.03 2x2k s ALA 756 Cb 0.05 -0.72 0.02 0.00 0.00 0.00 0.00 23.12 22.47 2x2k s ALA 756 CO 0.15 0.58 -0.13 0.08 0.00 0.00 0.00 175.76 176.45 2x2k s VAL 757 N -1.00 1.41 -0.16 0.00 1.01 -0.17 0.16 120.40 121.66 2x2k s VAL 757 Ca 0.16 -0.54 -0.14 0.00 0.00 0.00 0.00 61.98 61.46 2x2k s VAL 757 Cb -0.11 -1.33 -0.05 0.00 0.00 0.00 0.00 36.38 34.90 2x2k s VAL 757 CO 0.07 0.43 0.29 -0.54 0.00 0.00 0.00 175.10 175.35 2x2k s LYS 758 N 1.40 4.26 0.33 2.72 1.02 0.60 -0.73 119.74 129.34 2x2k s LYS 758 Ca 0.02 0.09 0.03 0.00 0.02 0.00 0.00 55.97 56.13 2x2k s LYS 758 Cb -0.13 -3.43 -0.02 0.00 -0.52 0.00 0.00 37.83 33.73 2x2k s LYS 758 CO -0.08 0.24 0.35 0.00 -0.92 0.00 0.00 175.35 174.94 2x2k s MET 759 N 0.47 1.80 0.23 1.68 0.23 -0.57 -0.41 119.30 122.73 2x2k s MET 759 Ca 0.16 -1.91 -0.27 0.00 -1.03 0.00 0.00 55.69 52.64 2x2k s MET 759 Cb -0.13 0.37 -0.09 0.00 -1.53 0.00 0.00 34.83 33.45 2x2k s MET 759 CO 0.04 -0.70 0.88 -0.51 -2.03 0.00 0.00 175.02 172.69 2x2k s LEU 760 N -3.31 4.57 1.08 0.18 1.43 -1.26 -0.95 118.68 120.41 2x2k s LEU 760 Ca 0.37 1.81 -0.16 0.00 -1.03 0.00 0.00 54.13 55.11 2x2k s LEU 760 Cb 0.01 -3.56 0.23 0.00 0.03 0.00 0.00 46.19 42.90 2x2k s LEU 760 CO 0.24 0.14 1.14 -0.54 0.23 0.00 0.00 176.35 177.57 2x2k s LYS 761 N -1.33 -0.23 0.23 1.70 1.02 -1.26 -4.76 119.74 115.11 2x2k s LYS 761 Ca 0.41 0.05 -0.31 0.00 0.02 0.00 0.00 55.97 56.13 2x2k s LYS 761 Cb -0.24 -1.70 -0.14 0.00 -0.52 0.00 0.00 37.83 35.23 2x2k s LYS 761 CO 0.28 -3.07 1.34 0.39 -0.92 0.00 0.00 175.35 173.37 2x2k n GLU 762 N -4.33 1.84 -3.22 1.68 4.71 -1.26 -3.32 120.64 116.75 2x2k n GLU 762 Ca 0.11 0.65 -0.16 0.00 -0.01 0.00 0.00 57.16 57.75 2x2k n GLU 762 Cb 0.59 -2.27 0.06 0.00 -1.01 0.00 0.00 31.44 28.81 2x2k n GLU 762 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 2x2k n ASN 763 N 2.04 -4.45 -4.77 1.62 3.02 -1.26 -4.94 115.26 106.53 2x2k n ASN 763 Ca 0.12 -0.39 -0.39 0.00 -0.03 0.00 0.00 54.58 53.88 2x2k n ASN 763 Cb 0.30 -3.71 0.01 0.00 -0.61 0.00 0.00 39.78 35.76 2x2k n ASN 763 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2x2k s ALA 764 N -3.23 3.19 0.45 5.41 0.00 -1.21 -5.03 121.76 121.34 2x2k s ALA 764 Ca 0.33 1.30 0.03 0.00 0.00 0.00 0.00 51.96 53.62 2x2k s ALA 764 Cb -0.14 -3.52 0.01 0.00 0.00 0.00 0.00 23.12 19.46 2x2k s ALA 764 CO 0.51 -0.99 0.64 -1.54 0.00 0.00 0.00 175.76 174.38 2x2k s SER 765 N -0.72 5.70 0.31 0.00 1.04 -1.26 -4.97 113.70 113.80 2x2k s SER 765 Ca 0.60 0.02 0.07 0.00 0.48 0.00 0.00 55.95 57.12 2x2k s SER 765 Cb -0.40 -1.19 0.76 0.00 0.10 0.00 0.00 66.02 65.29 2x2k s SER 765 CO 0.50 -0.76 1.78 -0.65 0.98 0.00 0.00 173.24 175.10 2x2k h PRO 766 N 0.46 0.73 -0.54 4.02 0.11 -2.00 -2.34 132.00 132.43 2x2k h PRO 766 Ca -0.44 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.58 2x2k h PRO 766 Cb 1.27 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 32.19 2x2k h PRO 766 CO 0.53 0.48 0.17 1.03 -0.21 0.00 0.00 178.00 180.00 2x2k h SER 767 N 0.75 0.75 0.08 -2.05 0.87 -1.99 -1.13 113.55 110.83 2x2k h SER 767 Ca 0.57 -0.11 -0.28 0.00 -1.23 0.00 0.00 61.79 60.74 2x2k h SER 767 Cb 0.91 -0.19 0.02 0.00 -0.44 0.00 0.00 62.40 62.70 2x2k h SER 767 CO -0.36 0.71 -1.12 -0.33 -0.53 0.00 0.00 176.83 175.19 2x2k h GLU 768 N 0.79 0.65 -0.24 2.24 5.08 -1.79 -1.71 114.58 119.60 2x2k h GLU 768 Ca 0.18 -0.77 -0.02 0.00 -1.00 0.00 0.00 59.36 57.76 2x2k h GLU 768 Cb 0.23 0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 2x2k h GLU 768 CO -0.01 1.33 0.09 1.25 -1.00 0.00 0.00 179.01 180.68 2x2k h LEU 769 N 0.34 0.34 -0.57 1.33 5.85 -1.36 -0.35 115.31 120.88 2x2k h LEU 769 Ca -0.15 -0.18 0.04 0.00 0.84 0.00 0.00 57.88 58.44 2x2k h LEU 769 Cb 1.78 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 42.68 2x2k h LEU 769 CO 0.22 0.42 0.31 -0.09 -0.34 0.00 0.00 178.44 178.96 2x2k h ARG 770 N 0.23 0.58 -0.43 1.25 2.43 -1.24 -1.30 114.38 115.90 2x2k h ARG 770 Ca 0.08 -0.03 0.08 0.00 -0.81 0.00 0.00 59.98 59.29 2x2k h ARG 770 Cb 0.20 -0.13 -0.07 0.00 -0.42 0.00 0.00 29.97 29.55 2x2k h ARG 770 CO -0.01 0.38 0.03 -0.44 -1.51 0.00 0.00 179.97 178.43 2x2k h ASP 771 N 0.59 -0.10 -0.46 -3.80 3.32 -0.97 0.12 116.42 115.12 2x2k h ASP 771 Ca 0.25 0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.37 2x2k h ASP 771 Cb 0.12 0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 2x2k h ASP 771 CO -0.15 -0.02 0.24 0.25 -1.72 0.00 0.00 179.24 177.84 2x2k h LEU 772 N 0.15 0.58 -1.08 1.55 5.85 -0.70 0.15 115.31 121.82 2x2k h LEU 772 Ca 0.21 -0.11 -0.08 0.00 0.84 0.00 0.00 57.88 58.75 2x2k h LEU 772 Cb 0.29 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 2x2k h LEU 772 CO -0.32 0.52 -0.19 -0.07 -0.34 0.00 0.00 178.44 178.04 2x2k h LEU 773 N 0.60 0.42 0.11 2.25 3.38 -0.99 -1.94 115.31 119.14 2x2k h LEU 773 Ca 0.16 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 2x2k h LEU 773 Cb 0.08 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.72 2x2k h LEU 773 CO -0.02 0.63 -0.05 -1.28 0.09 0.00 0.00 178.44 177.80 2x2k h SER 774 N 0.39 -0.12 -0.57 -0.43 0.87 -0.31 -1.73 113.55 111.64 2x2k h SER 774 Ca 0.07 -0.30 0.12 0.00 -1.23 0.00 0.00 61.79 60.44 2x2k h SER 774 Cb 0.56 0.03 -0.11 0.00 -0.44 0.00 0.00 62.40 62.44 2x2k h SER 774 CO 0.04 0.25 -0.12 -0.08 -0.53 0.00 0.00 176.83 176.39 2x2k h GLU 775 N -0.51 0.02 -0.99 2.24 4.81 -0.86 -1.10 114.58 118.19 2x2k h GLU 775 Ca -0.01 -0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.25 2x2k h GLU 775 Cb 0.42 -0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.73 2x2k h GLU 775 CO 0.02 0.01 0.65 0.35 -0.73 0.00 0.00 179.01 179.32 2x2k h PHE 776 N 0.02 1.22 0.00 0.92 3.57 -1.26 -1.24 116.94 120.17 2x2k h PHE 776 Ca 0.28 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.68 2x2k h PHE 776 Cb 0.43 -0.41 -0.02 0.00 2.79 0.00 0.00 35.95 38.75 2x2k h PHE 776 CO -0.45 0.71 -0.60 -0.97 -2.23 0.00 0.00 178.31 174.77 2x2k h ASN 777 N 1.27 0.00 -0.04 0.41 -0.73 -0.42 -2.94 115.58 113.13 2x2k h ASN 777 Ca 0.39 0.00 -0.10 0.00 1.87 0.00 0.00 56.30 58.47 2x2k h ASN 777 Cb -0.01 0.00 0.01 0.00 0.27 0.00 0.00 38.32 38.58 2x2k h ASN 777 CO -0.12 0.60 -0.35 0.58 -0.37 0.00 0.00 177.43 177.77 2x2k h VAL 778 N 0.00 1.46 0.00 2.57 2.07 -0.87 -3.34 116.25 118.14 2x2k h VAL 778 Ca -0.01 -1.85 -0.03 0.00 0.82 0.00 0.00 66.70 65.63 2x2k h VAL 778 Cb 1.11 2.50 -0.00 0.00 -1.52 0.00 0.00 31.29 33.38 2x2k h VAL 778 CO 0.08 0.53 -0.16 -0.07 0.02 0.00 0.00 177.57 177.96 2x2k h LEU 779 N -0.25 0.00 -1.65 2.57 3.38 -1.28 -1.75 115.31 116.33 2x2k h LEU 779 Ca -0.03 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.02 2x2k h LEU 779 Cb 1.04 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.76 2x2k h LEU 779 CO 0.07 0.16 0.37 0.11 0.09 0.00 0.00 178.44 179.24 2x2k h LYS 780 N 0.00 0.40 -0.03 1.13 1.57 -1.64 -3.02 116.57 114.98 2x2k h LYS 780 Ca -0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2x2k h LYS 780 Cb 0.33 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.55 2x2k h LYS 780 CO 0.02 0.26 0.00 1.04 -0.57 0.00 0.00 179.45 180.21 2x2k n GLN 781 N -4.47 2.08 -4.92 3.15 6.02 -0.66 -4.95 117.38 113.62 2x2k n GLN 781 Ca 0.08 -1.58 -0.27 0.00 -0.01 0.00 0.00 57.00 55.23 2x2k n GLN 781 Cb 0.32 -1.47 -0.16 0.00 1.02 0.00 0.00 30.24 29.95 2x2k n GLN 781 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2x2k s VAL 782 N -1.99 1.55 -0.28 5.09 1.01 -1.14 -5.09 120.40 119.55 2x2k s VAL 782 Ca 0.32 -0.79 -0.03 0.00 0.00 0.00 0.00 61.98 61.48 2x2k s VAL 782 Cb 0.20 -1.33 0.17 0.00 0.00 0.00 0.00 36.38 35.42 2x2k s VAL 782 CO 0.31 0.44 0.55 0.21 0.00 0.00 0.00 175.10 176.62 2x2k s ASN 783 N -0.04 -0.97 -0.28 3.32 2.47 -1.26 -4.85 114.94 113.33 2x2k s ASN 783 Ca -0.03 0.85 -0.22 0.00 0.42 0.00 0.00 52.86 53.88 2x2k s ASN 783 Cb -0.12 1.94 0.12 0.00 -1.45 0.00 0.00 41.25 41.74 2x2k s ASN 783 CO 0.02 -0.26 0.98 -2.28 -3.72 0.00 0.00 177.10 171.84 2x2k s HIS 784 N 2.79 -0.55 0.21 0.43 2.46 -1.26 -5.03 115.29 114.33 2x2k s HIS 784 Ca 0.14 1.26 0.29 0.00 0.47 0.00 0.00 55.06 57.22 2x2k s HIS 784 Cb -0.15 0.37 1.58 0.00 -0.13 0.00 0.00 32.58 34.25 2x2k s HIS 784 CO -0.19 -0.27 1.88 -1.00 -2.47 0.00 0.00 174.74 172.68 2x2k h PRO 785 N 4.87 0.00 -0.24 2.88 0.13 -2.00 -1.94 132.00 135.70 2x2k h PRO 785 Ca -0.28 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.83 2x2k h PRO 785 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 2x2k h PRO 785 CO 0.13 0.00 -0.00 0.72 -0.23 0.00 0.00 178.00 178.62 2x2k n HIS 786 N -2.57 0.86 -5.23 1.56 8.25 -1.26 -4.86 115.22 111.97 2x2k n HIS 786 Ca -0.02 -0.94 -0.31 0.00 -0.26 0.00 0.00 57.72 56.19 2x2k n HIS 786 Cb 0.12 -0.31 -0.16 0.00 1.12 0.00 0.00 29.99 30.76 2x2k n HIS 786 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2x2k s VAL 787 N -2.87 2.00 0.28 1.59 1.01 -0.73 -1.20 120.40 120.48 2x2k s VAL 787 Ca 0.41 -1.03 -0.30 0.00 0.00 0.00 0.00 61.98 61.07 2x2k s VAL 787 Cb 0.34 -1.70 -0.13 0.00 0.00 0.00 0.00 36.38 34.89 2x2k s VAL 787 CO 0.08 0.56 1.25 0.00 0.00 0.00 0.00 175.10 176.98 2x2k n ILE 788 N 3.01 1.55 -3.55 2.22 0.13 -0.36 -4.59 119.36 117.77 2x2k n ILE 788 Ca -0.18 -0.39 -0.37 0.00 -1.10 0.00 0.00 62.75 60.72 2x2k n ILE 788 Cb 0.52 -1.33 -0.06 0.00 -0.84 0.00 0.00 39.64 37.92 2x2k n ILE 788 CO 0.00 0.00 0.00 -0.75 2.80 0.00 0.00 176.55 178.60 2x2k s LYS 789 N -1.17 4.01 -0.15 9.51 2.36 -1.26 -4.94 119.74 128.11 2x2k s LYS 789 Ca 0.62 0.22 -0.12 0.00 -2.55 0.00 0.00 55.97 54.13 2x2k s LYS 789 Cb -0.65 -3.31 -0.05 0.00 -1.05 0.00 0.00 37.83 32.77 2x2k s LYS 789 CO 0.57 0.48 0.26 -1.17 1.55 0.00 0.00 175.35 177.03 2x2k s LEU 790 N -0.32 4.28 -0.02 5.43 2.96 -1.26 0.12 118.68 129.86 2x2k s LEU 790 Ca 0.20 0.50 0.09 0.00 -0.22 0.00 0.00 54.13 54.70 2x2k s LEU 790 Cb -0.14 -2.31 -0.14 0.00 0.50 0.00 0.00 46.19 44.10 2x2k s LEU 790 CO 0.08 0.18 0.18 -1.22 -1.32 0.00 0.00 176.35 174.25 2x2k n TYR 791 N 3.17 0.00 -3.65 5.38 4.02 -0.13 -4.97 117.16 120.98 2x2k n TYR 791 Ca -0.14 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.75 2x2k n TYR 791 Cb 0.52 -0.24 0.00 0.00 -0.02 0.00 0.00 39.34 39.60 2x2k n TYR 791 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2x2k n GLY 792 N 2.05 -0.81 3.38 2.72 0.00 -1.10 -4.88 105.19 106.54 2x2k n GLY 792 Ca -0.03 -0.99 -0.14 0.00 0.00 0.00 0.00 46.02 44.85 2x2k n GLY 792 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x2k s ALA 793 N -1.00 -1.26 -0.26 4.61 0.00 0.30 -1.34 121.76 122.81 2x2k s ALA 793 Ca 0.00 0.64 0.01 0.00 0.00 0.00 0.00 51.96 52.62 2x2k s ALA 793 Cb 0.00 0.24 0.05 0.00 0.00 0.00 0.00 23.12 23.41 2x2k s ALA 793 CO 0.00 -0.42 -0.10 0.00 0.00 0.00 0.00 175.76 175.24 2x2k n SER 795 N 4.52 0.74 -0.07 0.00 3.41 -1.26 -2.13 113.62 118.82 2x2k n SER 795 Ca -0.15 -1.21 -0.08 0.00 -0.26 0.00 0.00 58.87 57.17 2x2k n SER 795 Cb 0.44 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.28 2x2k n SER 795 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2x2k n GLN 796 N -0.11 1.54 -0.00 4.33 3.00 -1.26 -4.70 117.38 120.18 2x2k n GLN 796 Ca 0.00 0.00 0.10 0.00 -0.01 0.00 0.00 57.00 57.10 2x2k n GLN 796 Cb 0.22 -1.37 -0.10 0.00 0.00 0.00 0.00 30.24 28.99 2x2k n GLN 796 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 2x2k n ASP 797 N -2.58 0.76 0.00 1.08 8.00 -1.26 -5.07 116.55 117.48 2x2k n ASP 797 Ca -0.24 -0.72 0.00 0.00 0.71 0.00 0.00 54.79 54.54 2x2k n ASP 797 Cb 0.95 1.15 0.00 0.00 -0.02 0.00 0.00 41.12 43.20 2x2k n ASP 797 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2x2k n GLY 798 N 1.44 -0.95 3.77 0.44 0.00 -1.26 -5.15 105.19 103.49 2x2k n GLY 798 Ca 0.02 -0.09 -0.36 0.00 0.00 0.00 0.00 46.02 45.59 2x2k n GLY 798 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2x2k s PRO 799 N -0.05 3.71 0.08 1.61 0.02 -1.26 -4.84 135.00 134.27 2x2k s PRO 799 Ca 0.00 1.68 -0.31 0.00 0.02 0.00 0.00 61.00 62.38 2x2k s PRO 799 Cb 0.00 -2.30 -0.11 0.00 0.02 0.00 0.00 34.50 32.11 2x2k s PRO 799 CO 0.00 -0.57 1.86 -0.11 -0.33 0.00 0.00 177.00 177.85 2x2k n LEU 800 N -0.67 3.96 -4.05 -5.54 7.94 -1.26 -4.70 117.00 112.68 2x2k n LEU 800 Ca 0.08 0.97 -0.26 0.00 -1.11 0.00 0.00 56.01 55.70 2x2k n LEU 800 Cb 0.49 -1.52 -0.17 0.00 0.53 0.00 0.00 43.42 42.76 2x2k n LEU 800 CO 0.45 0.14 -0.48 -0.76 -1.11 0.00 0.00 177.39 175.63 2x2k s LEU 801 N 3.17 1.71 -0.20 -1.96 1.43 -0.90 -4.35 118.68 117.59 2x2k s LEU 801 Ca 0.85 -0.34 -0.10 0.00 -1.03 0.00 0.00 54.13 53.51 2x2k s LEU 801 Cb -0.50 -0.91 -0.05 0.00 0.03 0.00 0.00 46.19 44.76 2x2k s LEU 801 CO 0.40 0.05 0.12 -0.76 0.23 0.00 0.00 176.35 176.39 2x2k s LEU 802 N 0.61 4.14 -0.37 1.79 1.43 0.45 -1.57 118.68 125.16 2x2k s LEU 802 Ca -0.15 0.20 -0.12 0.00 -1.03 0.00 0.00 54.13 53.03 2x2k s LEU 802 Cb -0.16 -2.07 0.01 0.00 0.03 0.00 0.00 46.19 44.01 2x2k s LEU 802 CO 0.05 0.18 0.22 -0.63 0.23 0.00 0.00 176.35 176.40 2x2k s ILE 803 N 0.36 4.83 0.32 -0.59 1.01 -0.45 -0.29 121.20 126.39 2x2k s ILE 803 Ca 0.07 -0.64 0.06 0.00 0.00 0.00 0.00 60.65 60.14 2x2k s ILE 803 Cb -0.11 -3.62 -0.06 0.00 0.01 0.00 0.00 42.46 38.67 2x2k s ILE 803 CO -0.02 -0.16 -0.01 0.68 0.00 0.00 0.00 174.94 175.43 2x2k s VAL 804 N 1.62 1.55 0.12 2.92 -7.23 0.12 -0.96 120.40 118.55 2x2k s VAL 804 Ca 0.04 -2.06 -0.35 0.00 -1.81 0.00 0.00 61.98 57.79 2x2k s VAL 804 Cb -0.18 -2.65 -0.16 0.00 0.56 0.00 0.00 36.38 33.95 2x2k s VAL 804 CO 0.08 -0.15 1.39 1.21 -0.31 0.00 0.00 175.10 177.32 2x2k n GLU 805 N -0.68 1.47 -3.14 4.82 2.13 0.12 -0.57 120.64 124.80 2x2k n GLU 805 Ca -0.04 0.53 -0.40 0.00 0.66 0.00 0.00 57.16 57.91 2x2k n GLU 805 Cb 0.65 -2.19 -0.06 0.00 0.27 0.00 0.00 31.44 30.11 2x2k n GLU 805 CO 0.00 0.00 0.00 -0.47 -0.41 0.00 0.00 177.13 176.25 2x2k s TYR 806 N 0.50 3.37 -0.42 4.31 5.04 -1.26 -4.41 117.35 124.48 2x2k s TYR 806 Ca 0.81 0.90 -0.12 0.00 -2.44 0.00 0.00 57.07 56.21 2x2k s TYR 806 Cb -0.85 -2.78 0.05 0.00 0.35 0.00 0.00 41.96 38.73 2x2k s TYR 806 CO 0.45 -0.17 0.29 0.00 -1.34 0.00 0.00 175.55 174.78 2x2k s ALA 807 N 1.89 3.39 0.50 3.97 0.00 -1.26 -4.82 121.76 125.42 2x2k s ALA 807 Ca 0.28 -1.95 0.36 0.00 0.00 0.00 0.00 51.96 50.64 2x2k s ALA 807 Cb -0.16 -2.79 1.51 0.00 0.00 0.00 0.00 23.12 21.68 2x2k s ALA 807 CO 0.10 -1.57 1.68 -0.22 0.00 0.00 0.00 175.76 175.75 2x2k h LYS 808 N 8.55 0.08 -0.10 0.00 3.64 -1.85 -2.58 116.57 124.30 2x2k h LYS 808 Ca -0.26 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.12 2x2k h LYS 808 Cb 1.10 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.90 2x2k h LYS 808 CO 0.76 0.05 0.00 0.66 -2.27 0.00 0.00 179.45 178.65 2x2k n TYR 809 N -4.33 0.11 -4.17 1.91 4.02 -0.08 -5.05 117.16 109.57 2x2k n TYR 809 Ca 0.34 -0.05 0.00 0.00 -0.01 0.00 0.00 57.90 58.18 2x2k n TYR 809 Cb 1.46 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.78 2x2k n TYR 809 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2x2k n GLY 810 N 1.32 -0.43 3.82 2.72 0.00 -0.97 -4.50 105.19 107.16 2x2k n GLY 810 Ca 0.16 -1.09 -0.33 0.00 0.00 0.00 0.00 46.02 44.77 2x2k n GLY 810 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2x2k s SER 811 N -4.00 6.27 0.16 1.61 1.04 -1.26 -0.57 113.70 116.95 2x2k s SER 811 Ca 0.00 1.70 -0.14 0.00 0.48 0.00 0.00 55.95 57.99 2x2k s SER 811 Cb 0.00 -2.52 0.04 0.00 0.10 0.00 0.00 66.02 63.63 2x2k s SER 811 CO 0.00 -0.83 1.75 0.25 0.98 0.00 0.00 173.24 175.39 2x2k h LEU 812 N 0.81 0.63 -0.13 2.42 5.85 0.32 -0.11 115.31 125.10 2x2k h LEU 812 Ca -0.47 -0.11 0.03 0.00 0.84 0.00 0.00 57.88 58.17 2x2k h LEU 812 Cb 1.20 -0.16 -0.07 0.00 0.37 0.00 0.00 40.66 42.01 2x2k h LEU 812 CO 0.60 0.56 -0.51 -0.09 -0.34 0.00 0.00 178.44 178.65 2x2k h ARG 813 N 0.65 -0.55 -0.81 1.25 2.43 -1.73 0.13 114.38 115.75 2x2k h ARG 813 Ca 0.17 0.04 0.07 0.00 -0.81 0.00 0.00 59.98 59.45 2x2k h ARG 813 Cb 0.08 0.12 -0.06 0.00 -0.42 0.00 0.00 29.97 29.69 2x2k h ARG 813 CO -0.02 -0.36 0.49 0.78 -1.51 0.00 0.00 179.97 179.34 2x2k h GLY 814 N -0.57 1.23 0.86 2.80 0.00 -1.84 -0.15 103.07 105.41 2x2k h GLY 814 Ca 0.04 -0.34 0.01 0.00 0.00 0.00 0.00 47.33 47.05 2x2k h GLY 814 CO -0.43 0.21 0.02 -2.75 0.00 0.00 0.00 176.54 173.59 2x2k h PHE 815 N 0.87 0.03 -0.12 5.60 3.57 -0.40 -2.50 116.94 124.00 2x2k h PHE 815 Ca 0.37 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.82 2x2k h PHE 815 Cb 0.23 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.96 2x2k h PHE 815 CO -0.05 0.01 -0.16 -0.07 -2.23 0.00 0.00 178.31 175.81 2x2k h LEU 816 N 0.07 0.18 0.00 0.59 3.38 0.09 -3.13 115.31 116.48 2x2k h LEU 816 Ca 0.05 -0.04 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 2x2k h LEU 816 Cb 0.05 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2x2k h LEU 816 CO -0.07 0.36 -0.48 0.03 0.09 0.00 0.00 178.44 178.37 2x2k h ARG 817 N 0.18 0.00 0.00 1.13 3.08 -0.85 -2.51 114.38 115.40 2x2k h ARG 817 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 2x2k h ARG 817 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.45 2x2k h ARG 817 CO 0.03 0.45 0.00 0.39 -1.07 0.00 0.00 179.97 179.76 2x2k n GLU 818 N -3.20 0.30 -3.06 0.04 1.02 -0.96 -4.93 120.64 109.86 2x2k n GLU 818 Ca 0.02 0.09 -0.18 0.00 -0.02 0.00 0.00 57.16 57.07 2x2k n GLU 818 Cb 0.72 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 30.65 2x2k n GLU 818 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2x2k s SER 819 N -2.55 5.68 0.46 1.62 0.01 -0.95 -4.20 113.70 113.77 2x2k s SER 819 Ca 0.20 -0.33 0.03 0.00 1.31 0.00 0.00 55.95 57.16 2x2k s SER 819 Cb 0.14 -0.80 -0.02 0.00 0.21 0.00 0.00 66.02 65.55 2x2k s SER 819 CO 0.31 -0.74 0.07 0.00 0.41 0.00 0.00 173.24 173.29 2x2k s ARG 820 N -4.36 2.06 0.16 12.44 1.70 -0.28 -4.97 118.95 125.69 2x2k s ARG 820 Ca 0.53 -2.28 0.03 0.00 -0.47 0.00 0.00 55.73 53.54 2x2k s ARG 820 Cb -0.10 -1.06 -0.03 0.00 -0.57 0.00 0.00 34.95 33.18 2x2k s ARG 820 CO 0.33 -0.41 0.28 0.15 -1.08 0.00 0.00 175.30 174.57 2x2k s LYS 821 N -3.79 3.39 0.00 3.89 3.01 -1.26 -2.05 119.74 122.93 2x2k s LYS 821 Ca 0.16 -0.65 0.00 0.00 -1.01 0.00 0.00 55.97 54.47 2x2k s LYS 821 Cb 0.02 -2.92 0.00 0.00 -1.01 0.00 0.00 37.83 33.92 2x2k s LYS 821 CO 0.09 0.50 0.00 0.28 0.51 0.00 0.00 175.35 176.74 2x2k n VAL 822 N -0.67 0.00 0.00 3.17 0.31 0.45 -4.64 118.33 116.95 2x2k n VAL 822 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 2x2k n VAL 822 Cb 0.55 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.48 2x2k n VAL 822 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2x2k n ARG 844 N -0.94 0.00 -3.83 5.55 0.63 -1.26 -4.22 116.66 112.59 2x2k n ARG 844 Ca 0.00 0.00 -0.36 0.00 -0.92 0.00 0.00 57.85 56.57 2x2k n ARG 844 Cb 0.00 0.00 -0.13 0.00 0.45 0.00 0.00 32.46 32.78 2x2k n ARG 844 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2x2k s ALA 845 N 0.00 2.94 -0.07 5.13 0.00 -1.26 -1.13 121.76 127.37 2x2k s ALA 845 Ca 0.00 -1.41 0.03 0.00 0.00 0.00 0.00 51.96 50.57 2x2k s ALA 845 Cb 0.00 -1.97 -0.02 0.00 0.00 0.00 0.00 23.12 21.13 2x2k s ALA 845 CO 0.00 -0.82 -0.14 -0.51 0.00 0.00 0.00 175.76 174.29 2x2k s LEU 846 N 1.45 2.74 0.71 0.00 1.43 -0.87 -4.99 118.68 119.15 2x2k s LEU 846 Ca 0.02 -0.22 -0.05 0.00 -1.03 0.00 0.00 54.13 52.85 2x2k s LEU 846 Cb -0.17 -1.57 0.08 0.00 0.03 0.00 0.00 46.19 44.56 2x2k s LEU 846 CO -0.00 0.30 1.00 0.42 0.23 0.00 0.00 176.35 178.31 2x2k s THR 847 N -0.46 2.29 0.39 5.49 -4.23 -1.26 -0.41 115.64 117.44 2x2k s THR 847 Ca 0.06 -0.35 0.16 0.00 -1.18 0.00 0.00 61.69 60.37 2x2k s THR 847 Cb -0.12 -2.93 0.15 0.00 1.34 0.00 0.00 72.50 70.94 2x2k s THR 847 CO 0.02 0.00 1.91 -0.03 -0.54 0.00 0.00 174.62 175.97 2x2k h MET 848 N -0.59 0.00 -0.54 3.99 4.05 -2.00 -2.77 114.93 117.08 2x2k h MET 848 Ca -0.43 0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 58.96 2x2k h MET 848 Cb 1.30 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 32.07 2x2k h MET 848 CO 0.54 0.28 0.22 0.78 0.23 0.00 0.00 176.91 178.95 2x2k h GLY 849 N 0.97 0.86 0.76 1.39 0.00 -1.94 -0.13 103.07 104.98 2x2k h GLY 849 Ca -0.00 -0.47 0.02 0.00 0.00 0.00 0.00 47.33 46.88 2x2k h GLY 849 CO 0.04 0.44 -0.03 -0.55 0.00 0.00 0.00 176.54 176.43 2x2k h ASP 850 N 0.73 -0.11 -0.93 0.19 3.32 -1.91 0.40 116.42 118.10 2x2k h ASP 850 Ca 0.18 0.04 0.01 0.00 0.02 0.00 0.00 57.03 57.28 2x2k h ASP 850 Cb 0.20 0.08 -0.05 0.00 0.22 0.00 0.00 39.33 39.77 2x2k h ASP 850 CO -0.01 -0.04 0.62 -0.07 -1.72 0.00 0.00 179.24 178.01 2x2k h LEU 851 N -0.00 1.06 -0.70 1.55 3.38 -1.35 -0.48 115.31 118.76 2x2k h LEU 851 Ca 0.06 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 2x2k h LEU 851 Cb 0.09 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 2x2k h LEU 851 CO -0.12 0.76 0.25 0.40 0.09 0.00 0.00 178.44 179.82 2x2k h ILE 852 N 1.25 1.25 -0.12 1.22 2.04 -0.88 -2.40 117.51 119.87 2x2k h ILE 852 Ca 0.35 -0.83 0.02 0.00 1.00 0.00 0.00 64.86 65.39 2x2k h ILE 852 Cb -0.12 0.47 -0.02 0.00 -0.74 0.00 0.00 36.82 36.42 2x2k h ILE 852 CO -0.08 0.33 0.02 -1.28 0.00 0.00 0.00 178.15 177.13 2x2k h SER 853 N 1.01 0.00 -0.10 1.72 0.87 -0.45 -0.34 113.55 116.27 2x2k h SER 853 Ca 0.23 0.02 0.02 0.00 -1.23 0.00 0.00 61.79 60.83 2x2k h SER 853 Cb 0.26 0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.22 2x2k h SER 853 CO -0.01 0.02 -0.04 -0.26 -0.53 0.00 0.00 176.83 176.00 2x2k h PHE 854 N 0.07 -0.10 -0.99 2.24 0.04 -0.98 -1.39 116.94 115.83 2x2k h PHE 854 Ca 0.05 0.01 0.01 0.00 2.80 0.00 0.00 57.97 60.84 2x2k h PHE 854 Cb 0.05 0.06 -0.05 0.00 2.20 0.00 0.00 35.95 38.21 2x2k h PHE 854 CO -0.12 -0.07 0.66 0.00 -0.60 0.00 0.00 178.31 178.17 2x2k h ALA 855 N 1.06 1.29 -0.52 2.45 0.00 -1.30 -2.02 119.26 120.23 2x2k h ALA 855 Ca 0.06 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 2x2k h ALA 855 Cb 0.12 -0.40 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 2x2k h ALA 855 CO -0.12 0.66 -0.04 2.35 0.00 0.00 0.00 179.25 182.10 2x2k h TRP 856 N 1.35 1.04 -0.59 0.00 7.01 -0.57 -0.50 115.95 123.69 2x2k h TRP 856 Ca 0.36 -0.19 -0.02 0.00 2.11 0.00 0.00 58.89 61.15 2x2k h TRP 856 Cb -0.15 -0.27 -0.03 0.00 -2.10 0.00 0.00 29.16 26.61 2x2k h TRP 856 CO 0.00 0.97 0.28 1.96 -2.79 0.00 0.00 178.44 178.86 2x2k h GLN 857 N 0.81 0.86 -0.43 2.65 4.20 -0.91 0.11 115.11 122.41 2x2k h GLN 857 Ca 0.14 -0.13 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 2x2k h GLN 857 Cb 0.58 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.18 2x2k h GLN 857 CO 0.03 0.70 0.21 0.82 -0.67 0.00 0.00 178.83 179.92 2x2k h ILE 858 N 0.81 1.17 -1.01 2.54 2.04 -1.23 -1.83 117.51 120.00 2x2k h ILE 858 Ca 0.20 -0.48 0.02 0.00 1.00 0.00 0.00 64.86 65.60 2x2k h ILE 858 Cb 0.13 0.70 -0.05 0.00 -0.74 0.00 0.00 36.82 36.86 2x2k h ILE 858 CO -0.02 0.18 0.67 -1.28 0.00 0.00 0.00 178.15 177.70 2x2k h SER 859 N 0.55 1.15 -0.65 1.72 0.87 -0.51 -0.22 113.55 116.46 2x2k h SER 859 Ca 0.15 -0.03 0.01 0.00 -1.23 0.00 0.00 61.79 60.70 2x2k h SER 859 Cb 0.10 -0.28 -0.04 0.00 -0.44 0.00 0.00 62.40 61.74 2x2k h SER 859 CO -0.02 0.82 0.42 1.56 -0.53 0.00 0.00 176.83 179.08 2x2k h GLN 860 N 1.35 0.83 -0.32 2.24 1.08 -0.53 -0.63 115.11 119.12 2x2k h GLN 860 Ca 0.38 -0.05 0.01 0.00 -1.45 0.00 0.00 58.65 57.53 2x2k h GLN 860 Cb -0.13 -0.19 -0.02 0.00 -0.05 0.00 0.00 27.48 27.10 2x2k h GLN 860 CO -0.09 0.55 0.20 0.78 -0.95 0.00 0.00 178.83 179.32 2x2k h GLY 861 N 0.85 0.44 1.07 3.46 0.00 -0.75 -2.58 103.07 105.56 2x2k h GLY 861 Ca 0.25 -0.16 -0.00 0.00 0.00 0.00 0.00 47.33 47.41 2x2k h GLY 861 CO -0.07 0.15 0.56 -0.33 0.00 0.00 0.00 176.54 176.85 2x2k h MET 862 N 0.41 1.23 -0.48 4.80 2.86 -0.82 -1.23 114.93 121.71 2x2k h MET 862 Ca 0.12 -0.11 -0.05 0.00 -2.06 0.00 0.00 59.70 57.60 2x2k h MET 862 Cb -0.04 -0.26 -0.02 0.00 0.06 0.00 0.00 31.60 31.34 2x2k h MET 862 CO -0.03 0.86 0.09 0.37 1.06 0.00 0.00 176.91 179.25 2x2k h GLN 863 N 1.26 0.74 -0.02 1.72 4.15 -0.97 0.36 115.11 122.34 2x2k h GLN 863 Ca 0.33 -0.15 -0.00 0.00 0.77 0.00 0.00 58.65 59.59 2x2k h GLN 863 Cb -0.06 -0.11 -0.00 0.00 0.21 0.00 0.00 27.48 27.51 2x2k h GLN 863 CO -0.06 0.69 0.00 -0.92 -1.93 0.00 0.00 178.83 176.60 2x2k h TYR 864 N 0.71 0.04 -0.56 3.99 5.03 -1.03 0.68 116.97 125.83 2x2k h TYR 864 Ca 0.16 -0.01 -0.00 0.00 2.58 0.00 0.00 58.73 61.45 2x2k h TYR 864 Cb 0.30 -0.01 -0.03 0.00 1.55 0.00 0.00 36.73 38.54 2x2k h TYR 864 CO 0.02 0.34 0.34 -0.07 -1.32 0.00 0.00 178.16 177.46 2x2k h LEU 865 N -0.26 0.67 -0.60 2.82 3.38 -0.99 0.31 115.31 120.65 2x2k h LEU 865 Ca 0.01 -0.06 0.04 0.00 0.09 0.00 0.00 57.88 57.96 2x2k h LEU 865 Cb 0.32 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 2x2k h LEU 865 CO 0.00 0.53 0.34 0.00 0.09 0.00 0.00 178.44 179.41 2x2k h ALA 866 N 1.17 0.79 -0.57 1.53 0.00 -0.21 -1.19 119.26 120.77 2x2k h ALA 866 Ca 0.20 0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.14 2x2k h ALA 866 Cb -0.02 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 2x2k h ALA 866 CO -0.04 0.04 0.38 0.93 0.00 0.00 0.00 179.25 180.57 2x2k h GLU 867 N 0.66 0.68 0.00 0.00 3.07 -0.29 -1.68 114.58 117.03 2x2k h GLU 867 Ca 0.26 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 59.07 2x2k h GLU 867 Cb 0.10 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 27.85 2x2k h GLU 867 CO -0.14 0.45 0.00 -1.33 -1.40 0.00 0.00 179.01 176.59 2x2k n MET 868 N -4.46 0.37 -2.67 2.33 2.00 0.05 -4.92 117.12 109.82 2x2k n MET 868 Ca 0.06 0.08 -0.08 0.00 0.00 0.00 0.00 57.70 57.76 2x2k n MET 868 Cb 0.11 -1.50 0.04 0.00 0.00 0.00 0.00 33.22 31.87 2x2k n MET 868 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 2x2k n LYS 869 N -1.22 -2.96 -4.23 0.03 4.76 -0.63 -4.87 118.16 109.05 2x2k n LYS 869 Ca 0.11 0.37 -0.24 0.00 -2.87 0.00 0.00 58.31 55.67 2x2k n LYS 869 Cb 0.14 -3.96 -0.17 0.00 -1.84 0.00 0.00 35.03 29.20 2x2k n LYS 869 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2x2k s LEU 870 N -3.87 1.37 -0.04 -0.35 1.43 -0.95 -0.93 118.68 115.33 2x2k s LEU 870 Ca 0.04 -0.26 -0.18 0.00 -1.03 0.00 0.00 54.13 52.70 2x2k s LEU 870 Cb -0.02 -0.74 -0.05 0.00 0.03 0.00 0.00 46.19 45.41 2x2k s LEU 870 CO 0.32 -0.05 0.48 -0.69 0.23 0.00 0.00 176.35 176.64 2x2k s VAL 871 N 1.15 5.05 -0.12 -1.59 1.01 -0.67 -4.10 120.40 121.13 2x2k s VAL 871 Ca -0.06 0.98 -0.06 0.00 0.00 0.00 0.00 61.98 62.84 2x2k s VAL 871 Cb -0.14 -3.81 -0.26 0.00 0.00 0.00 0.00 36.38 32.17 2x2k s VAL 871 CO -0.02 0.44 0.37 1.57 0.00 0.00 0.00 175.10 177.47 2x2k n HIS 872 N 2.75 1.26 0.00 5.22 -0.00 -1.26 -1.09 115.22 122.10 2x2k n HIS 872 Ca -0.10 0.27 0.00 0.00 0.46 0.00 0.00 57.72 58.35 2x2k n HIS 872 Cb 0.52 -1.17 0.00 0.00 -0.12 0.00 0.00 29.99 29.22 2x2k n HIS 872 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 2x2k n ARG 873 N -3.47 0.00 -2.40 1.57 1.74 -1.26 -3.60 116.66 109.24 2x2k n ARG 873 Ca -0.32 0.00 -0.26 0.00 -0.77 0.00 0.00 57.85 56.51 2x2k n ARG 873 Cb 1.05 -0.27 0.01 0.00 -1.02 0.00 0.00 32.46 32.22 2x2k n ARG 873 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2x2k n ASP 874 N 0.88 4.62 -4.65 0.55 2.03 -1.26 -4.95 116.55 113.77 2x2k n ASP 874 Ca 0.00 -3.68 -0.43 0.00 0.52 0.00 0.00 54.79 51.20 2x2k n ASP 874 Cb 0.00 -0.44 -0.02 0.00 -0.72 0.00 0.00 41.12 39.94 2x2k n ASP 874 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 2x2k s LEU 875 N -3.54 4.07 0.05 -2.67 2.96 -1.26 -4.81 118.68 113.48 2x2k s LEU 875 Ca 0.48 1.36 -0.27 0.00 -0.22 0.00 0.00 54.13 55.48 2x2k s LEU 875 Cb 0.40 -3.54 0.09 0.00 0.50 0.00 0.00 46.19 43.64 2x2k s LEU 875 CO -0.14 -0.76 0.79 0.00 -1.32 0.00 0.00 176.35 174.93 2x2k s ALA 876 N 3.43 -1.75 0.35 5.97 0.00 -1.26 -4.66 121.76 123.84 2x2k s ALA 876 Ca 0.47 0.83 0.08 0.00 0.00 0.00 0.00 51.96 53.34 2x2k s ALA 876 Cb -0.16 0.57 0.78 0.00 0.00 0.00 0.00 23.12 24.32 2x2k s ALA 876 CO 0.11 -0.72 1.88 0.00 0.00 0.00 0.00 175.76 177.03 2x2k h ALA 877 N 2.00 1.79 0.00 0.00 0.00 -1.93 -1.16 119.26 119.96 2x2k h ALA 877 Ca -0.26 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 2x2k h ALA 877 Cb 1.26 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 2x2k h ALA 877 CO 0.33 -0.02 -0.03 0.07 0.00 0.00 0.00 179.25 179.61 2x2k h ARG 878 N 0.73 0.00 -0.40 0.00 0.11 -1.95 -2.63 114.38 110.24 2x2k h ARG 878 Ca 0.44 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.52 2x2k h ARG 878 Cb 0.64 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.72 2x2k h ARG 878 CO -0.20 0.03 0.00 0.09 0.10 0.00 0.00 179.97 179.99 2x2k n ASN 879 N -3.21 3.49 -4.57 0.08 5.03 -0.45 -4.75 115.26 110.89 2x2k n ASN 879 Ca -0.01 -2.00 -0.34 0.00 0.87 0.00 0.00 54.58 53.10 2x2k n ASN 879 Cb 0.20 -0.26 -0.11 0.00 -1.02 0.00 0.00 39.78 38.59 2x2k n ASN 879 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2x2k s ILE 880 N -1.48 4.19 0.21 2.41 -1.09 -1.02 -0.80 121.20 123.62 2x2k s ILE 880 Ca 0.39 -0.26 0.06 0.00 -2.23 0.00 0.00 60.65 58.61 2x2k s ILE 880 Cb 0.23 -2.83 -0.04 0.00 -1.58 0.00 0.00 42.46 38.24 2x2k s ILE 880 CO 0.32 0.51 0.20 -0.76 -1.23 0.00 0.00 174.94 173.98 2x2k s LEU 881 N 0.10 3.90 -0.29 2.97 1.43 0.13 0.59 118.68 127.51 2x2k s LEU 881 Ca 0.01 -0.14 -0.01 0.00 -1.03 0.00 0.00 54.13 52.96 2x2k s LEU 881 Cb -0.13 -2.47 0.05 0.00 0.03 0.00 0.00 46.19 43.67 2x2k s LEU 881 CO 0.02 0.01 -0.01 -0.69 0.23 0.00 0.00 176.35 175.90 2x2k s VAL 882 N -1.94 2.92 0.66 -1.59 1.01 0.27 -0.40 120.40 121.32 2x2k s VAL 882 Ca 0.32 -1.38 -0.01 0.00 0.00 0.00 0.00 61.98 60.91 2x2k s VAL 882 Cb -0.09 -2.67 0.13 0.00 0.00 0.00 0.00 36.38 33.75 2x2k s VAL 882 CO 0.25 -0.08 0.90 0.00 0.00 0.00 0.00 175.10 176.17 2x2k n ALA 883 N 4.61 0.07 -1.63 5.51 0.00 0.15 -0.90 120.51 128.32 2x2k n ALA 883 Ca -0.13 -1.72 -0.45 0.00 0.00 0.00 0.00 53.44 51.14 2x2k n ALA 883 Cb 0.43 0.26 -0.02 0.00 0.00 0.00 0.00 19.45 20.13 2x2k n ALA 883 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2x2k n GLU 884 N -2.69 1.63 -1.39 0.00 1.02 -1.26 -1.79 120.64 116.16 2x2k n GLU 884 Ca 0.15 0.57 -0.05 0.00 -0.02 0.00 0.00 57.16 57.81 2x2k n GLU 884 Cb 0.52 -2.06 -0.02 0.00 -0.02 0.00 0.00 31.44 29.86 2x2k n GLU 884 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2x2k n GLY 885 N 1.39 0.59 3.94 0.62 0.00 -1.26 -3.48 105.19 106.99 2x2k n GLY 885 Ca 0.09 -0.82 -0.29 0.00 0.00 0.00 0.00 46.02 45.01 2x2k n GLY 885 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x2k n ARG 886 N -2.49 -4.43 -3.11 1.61 1.74 -0.74 -4.98 116.66 104.25 2x2k n ARG 886 Ca -0.05 0.51 -0.39 0.00 -0.77 0.00 0.00 57.85 57.15 2x2k n ARG 886 Cb 0.26 -5.14 -0.05 0.00 -1.02 0.00 0.00 32.46 26.51 2x2k n ARG 886 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2x2k s LYS 887 N -6.54 4.40 0.12 5.56 -0.14 -1.12 -4.82 119.74 117.20 2x2k s LYS 887 Ca 0.40 0.82 -0.30 0.00 -1.36 0.00 0.00 55.97 55.53 2x2k s LYS 887 Cb -0.21 -3.40 -0.06 0.00 -1.68 0.00 0.00 37.83 32.48 2x2k s LYS 887 CO 0.86 0.21 1.03 -1.64 -0.76 0.00 0.00 175.35 175.05 2x2k s MET 888 N 0.31 4.63 -0.12 1.68 -1.94 -1.26 0.31 119.30 122.91 2x2k s MET 888 Ca 0.34 1.57 -0.00 0.00 -1.71 0.00 0.00 55.69 55.89 2x2k s MET 888 Cb -0.18 -3.35 0.02 0.00 2.01 0.00 0.00 34.83 33.34 2x2k s MET 888 CO 0.18 0.11 -0.09 0.15 -0.01 0.00 0.00 175.02 175.36 2x2k s LYS 889 N 0.03 1.68 -0.01 2.03 -0.14 0.46 -4.38 119.74 119.40 2x2k s LYS 889 Ca 0.49 -0.32 -0.30 0.00 -1.36 0.00 0.00 55.97 54.48 2x2k s LYS 889 Cb -0.26 -1.68 -0.04 0.00 -1.68 0.00 0.00 37.83 34.17 2x2k s LYS 889 CO 0.31 -0.25 1.24 0.42 -0.76 0.00 0.00 175.35 176.31 2x2k s ILE 890 N 1.63 4.09 0.00 2.17 1.01 -0.34 0.21 121.20 129.97 2x2k s ILE 890 Ca 0.04 1.45 0.00 0.00 0.00 0.00 0.00 60.65 62.15 2x2k s ILE 890 Cb -0.13 -3.93 0.00 0.00 0.01 0.00 0.00 42.46 38.41 2x2k s ILE 890 CO -0.08 0.03 0.00 -1.54 0.00 0.00 0.00 174.94 173.35 2x2k n SER 891 N 4.86 1.32 -3.06 3.58 3.41 0.02 -1.23 113.62 122.53 2x2k n SER 891 Ca 0.11 -0.60 -0.00 0.00 -0.26 0.00 0.00 58.87 58.11 2x2k n SER 891 Cb 0.46 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.41 2x2k n SER 891 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2x2k n ASP 892 N -1.01 -6.88 -0.83 4.04 2.03 -1.26 -4.85 116.55 107.78 2x2k n ASP 892 Ca 0.00 0.70 0.08 0.00 0.52 0.00 0.00 54.79 56.08 2x2k n ASP 892 Cb 0.00 -2.55 0.18 0.00 -0.72 0.00 0.00 41.12 38.03 2x2k n ASP 892 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 2x2k n PHE 893 N 1.21 0.52 -0.30 -0.67 3.01 -1.26 -4.54 117.46 115.43 2x2k n PHE 893 Ca -0.01 -0.40 0.19 0.00 1.01 0.00 0.00 57.45 58.23 2x2k n PHE 893 Cb 0.36 -0.01 0.46 0.00 -0.01 0.00 0.00 39.48 40.27 2x2k n PHE 893 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 2x2k h GLY 894 N 2.84 1.22 -1.29 1.37 0.00 -1.91 -2.54 103.07 102.76 2x2k h GLY 894 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.09 2x2k h GLY 894 CO 0.00 -0.06 -0.30 1.04 0.00 0.00 0.00 176.54 177.23 2x2k n LEU 895 N -4.61 2.35 -4.76 3.11 4.77 -1.26 -4.45 117.00 112.15 2x2k n LEU 895 Ca 0.22 -0.83 -0.38 0.00 -0.03 0.00 0.00 56.01 54.99 2x2k n LEU 895 Cb 0.72 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.81 2x2k n LEU 895 CO 0.27 0.42 0.92 -0.44 -1.33 0.00 0.00 177.39 177.22 2x2k s SER 896 N -2.30 6.04 0.08 -1.43 0.01 -0.96 -4.77 113.70 110.37 2x2k s SER 896 Ca 0.22 2.55 0.07 0.00 1.31 0.00 0.00 55.95 60.10 2x2k s SER 896 Cb 0.19 -2.63 -0.03 0.00 0.21 0.00 0.00 66.02 63.76 2x2k s SER 896 CO 0.47 -1.03 -0.18 -0.13 0.41 0.00 0.00 173.24 172.78 2x2k s ARG 897 N -2.54 1.05 -0.07 12.44 1.81 -0.25 -4.98 118.95 126.40 2x2k s ARG 897 Ca 0.62 -1.03 -0.30 0.00 -1.72 0.00 0.00 55.73 53.31 2x2k s ARG 897 Cb -0.35 -1.19 -0.02 0.00 -0.45 0.00 0.00 34.95 32.93 2x2k s ARG 897 CO 0.44 0.28 1.09 0.34 -0.68 0.00 0.00 175.30 176.76 2x2k s ASP 898 N -1.69 7.17 -0.18 0.23 2.15 -1.26 -1.67 116.67 121.42 2x2k s ASP 898 Ca 0.04 1.67 0.14 0.00 0.43 0.00 0.00 52.55 54.82 2x2k s ASP 898 Cb -0.10 -2.56 0.38 0.00 -0.30 0.00 0.00 42.92 40.35 2x2k s ASP 898 CO 0.03 -0.49 1.20 1.33 -0.17 0.00 0.00 175.17 177.07 2x2k n VAL 899 N 4.50 1.96 -2.41 1.11 0.24 -0.11 -4.95 118.33 118.68 2x2k n VAL 899 Ca 0.09 -2.83 -0.37 0.00 -2.04 0.00 0.00 64.34 59.19 2x2k n VAL 899 Cb 0.48 -0.15 -0.03 0.00 -1.47 0.00 0.00 33.84 32.66 2x2k n VAL 899 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 2x2k s TYR 900 N -2.91 2.39 0.00 6.34 6.04 -1.25 -2.31 117.35 125.66 2x2k s TYR 900 Ca 0.36 -0.63 0.00 0.00 0.04 0.00 0.00 57.07 56.84 2x2k s TYR 900 Cb 0.34 -4.51 0.00 0.00 -1.04 0.00 0.00 41.96 36.76 2x2k s TYR 900 CO -0.05 -1.77 0.00 0.39 -1.54 0.00 0.00 175.55 172.58 2x2k n GLU 901 N 8.67 0.00 0.00 4.97 4.71 -1.26 -4.89 120.64 132.84 2x2k n GLU 901 Ca 0.40 0.00 0.07 0.00 -0.01 0.00 0.00 57.16 57.62 2x2k n GLU 901 Cb 0.48 0.00 0.02 0.00 -1.01 0.00 0.00 31.44 30.93 2x2k n GLU 901 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 2x2k n GLU 902 N 0.00 1.52 -1.10 3.49 4.71 -1.25 -4.98 120.64 123.02 2x2k n GLU 902 Ca 0.00 -0.94 -0.05 0.00 -0.01 0.00 0.00 57.16 56.15 2x2k n GLU 902 Cb 0.00 -1.21 -0.02 0.00 -1.01 0.00 0.00 31.44 29.20 2x2k n GLU 902 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 2x2k n ASP 903 N 0.18 -5.47 0.00 1.62 8.00 -0.98 -5.14 116.55 114.76 2x2k n ASP 903 Ca 0.06 0.13 0.00 0.00 0.71 0.00 0.00 54.79 55.69 2x2k n ASP 903 Cb 0.30 -3.64 0.00 0.00 -0.02 0.00 0.00 41.12 37.76 2x2k n ASP 903 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2x2k n SER 904 N -0.86 0.10 -3.16 -2.24 3.41 -1.26 -4.61 113.62 105.00 2x2k n SER 904 Ca -0.05 0.00 0.04 0.00 -0.26 0.00 0.00 58.87 58.60 2x2k n SER 904 Cb 0.51 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.43 2x2k n SER 904 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2x2k s VAL 906 N 0.49 -0.03 -0.24 -3.33 1.01 -1.26 -4.83 120.40 112.21 2x2k s VAL 906 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 61.98 61.90 2x2k s VAL 906 Cb 0.00 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 2x2k s VAL 906 CO 0.00 0.00 0.10 -0.75 0.00 0.00 0.00 175.10 174.45 2x2k s LYS 907 N 2.21 3.83 -0.04 2.72 2.20 -0.73 -5.01 119.74 124.91 2x2k s LYS 907 Ca -0.01 -0.40 -0.25 0.00 -0.36 0.00 0.00 55.97 54.95 2x2k s LYS 907 Cb -0.02 -3.39 -0.19 0.00 -1.51 0.00 0.00 37.83 32.72 2x2k s LYS 907 CO -0.14 -0.06 1.10 -0.09 -0.36 0.00 0.00 175.35 175.80 2x2k h ARG 908 N 7.86 -0.10 -7.70 4.03 2.43 -1.98 -3.44 114.38 115.48 2x2k h ARG 908 Ca -0.37 0.01 -0.44 0.00 -0.81 0.00 0.00 59.98 58.37 2x2k h ARG 908 Cb 1.18 0.02 0.17 0.00 -0.42 0.00 0.00 29.97 30.92 2x2k h ARG 908 CO 0.60 0.41 0.34 -1.54 -1.51 0.00 0.00 179.97 178.27 2x2k s SER 909 N -5.62 2.41 0.27 -3.80 1.04 -1.26 -5.00 113.70 101.74 2x2k s SER 909 Ca -0.15 0.36 -0.30 0.00 0.48 0.00 0.00 55.95 56.35 2x2k s SER 909 Cb 0.01 -0.45 -0.09 0.00 0.10 0.00 0.00 66.02 65.58 2x2k s SER 909 CO 0.61 -3.18 1.04 -1.10 0.98 0.00 0.00 173.24 171.58 2x2k s GLN 910 N -5.76 4.71 0.75 4.02 -1.52 -1.26 -5.02 119.66 115.59 2x2k s GLN 910 Ca 0.73 1.68 -0.11 0.00 -1.95 0.00 0.00 55.36 55.71 2x2k s GLN 910 Cb -0.05 -3.21 0.04 0.00 -0.22 0.00 0.00 33.01 29.57 2x2k s GLN 910 CO 0.54 0.32 1.08 0.20 -0.25 0.00 0.00 175.29 177.18 2x2k s GLY 911 N -1.01 1.66 -0.22 3.09 0.00 -1.26 -4.99 107.32 104.59 2x2k s GLY 911 Ca 0.43 0.05 0.15 0.00 0.00 0.00 0.00 44.72 45.36 2x2k s GLY 911 CO 0.37 0.41 1.58 0.54 0.00 0.00 0.00 173.10 176.00 2x2k n ARG 912 N -3.36 3.68 -3.38 2.90 1.74 -1.26 -4.97 116.66 112.02 2x2k n ARG 912 Ca 0.08 -3.00 -0.38 0.00 -0.77 0.00 0.00 57.85 53.78 2x2k n ARG 912 Cb 0.54 -2.04 -0.06 0.00 -1.02 0.00 0.00 32.46 29.88 2x2k n ARG 912 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2x2k s ILE 913 N -2.85 5.16 0.03 0.55 1.01 -1.26 -5.02 121.20 118.82 2x2k s ILE 913 Ca 0.48 0.89 -0.38 0.00 0.00 0.00 0.00 60.65 61.63 2x2k s ILE 913 Cb 0.38 -3.77 -0.18 0.00 0.01 0.00 0.00 42.46 38.90 2x2k s ILE 913 CO 0.11 0.39 1.27 -2.65 0.00 0.00 0.00 174.94 174.06 2x2k n PRO 914 N 3.25 0.71 -0.32 2.79 -0.02 -1.26 -4.84 135.00 135.31 2x2k n PRO 914 Ca -0.09 0.26 0.23 0.00 -2.02 0.00 0.00 63.50 61.88 2x2k n PRO 914 Cb 0.52 -1.85 0.51 0.00 -0.02 0.00 0.00 33.50 32.66 2x2k n PRO 914 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2x2k h VAL 915 N 3.33 0.52 -0.05 -1.45 2.07 -1.97 -2.10 116.25 116.60 2x2k h VAL 915 Ca -0.49 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 66.90 2x2k h VAL 915 Cb 1.37 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 2x2k h VAL 915 CO 0.74 0.07 0.00 0.29 0.02 0.00 0.00 177.57 178.70 2x2k n LYS 916 N -4.62 1.48 0.00 1.57 5.02 -1.26 -3.02 118.16 117.33 2x2k n LYS 916 Ca 0.25 -0.71 0.04 0.00 -2.02 0.00 0.00 58.31 55.88 2x2k n LYS 916 Cb 0.88 -1.43 -0.00 0.00 -0.02 0.00 0.00 35.03 34.46 2x2k n LYS 916 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 2x2k n TRP 917 N -0.11 0.00 -3.19 2.13 8.01 -0.79 -4.99 117.44 118.50 2x2k n TRP 917 Ca 0.18 0.00 -0.39 0.00 -1.31 0.00 0.00 57.50 55.99 2x2k n TRP 917 Cb 0.27 0.00 -0.06 0.00 -2.01 0.00 0.00 31.31 29.51 2x2k n TRP 917 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.69 175.04 2x2k s MET 918 N -1.23 4.32 0.69 -0.99 -1.94 -1.17 -3.88 119.30 115.10 2x2k s MET 918 Ca 0.07 0.78 -0.17 0.00 -1.71 0.00 0.00 55.69 54.66 2x2k s MET 918 Cb 0.07 -3.32 0.00 0.00 2.01 0.00 0.00 34.83 33.59 2x2k s MET 918 CO 0.22 0.41 1.13 0.00 -0.01 0.00 0.00 175.02 176.77 2x2k n ALA 919 N 2.54 0.41 -0.28 3.03 0.00 -1.26 -4.77 120.51 120.17 2x2k n ALA 919 Ca -0.07 -0.11 0.09 0.00 0.00 0.00 0.00 53.44 53.35 2x2k n ALA 919 Cb 0.51 -2.22 0.24 0.00 0.00 0.00 0.00 19.45 17.98 2x2k n ALA 919 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 2x2k h ILE 920 N 0.06 0.59 0.00 0.00 2.10 -1.94 -0.97 117.51 117.36 2x2k h ILE 920 Ca -0.49 -0.15 -0.03 0.00 1.08 0.00 0.00 64.86 65.27 2x2k h ILE 920 Cb 1.34 0.10 -0.00 0.00 -1.09 0.00 0.00 36.82 37.16 2x2k h ILE 920 CO 0.50 0.08 -0.15 -0.33 -1.08 0.00 0.00 178.15 177.17 2x2k h GLU 921 N 0.45 0.00 0.19 2.19 3.07 -1.89 -1.88 114.58 116.71 2x2k h GLU 921 Ca 0.48 0.00 -0.30 0.00 -0.50 0.00 0.00 59.36 59.04 2x2k h GLU 921 Cb 0.80 0.00 0.03 0.00 -0.84 0.00 0.00 28.75 28.74 2x2k h GLU 921 CO -0.45 0.15 -1.29 0.77 -1.40 0.00 0.00 179.01 176.79 2x2k h SER 922 N 0.00 0.81 -0.24 1.42 0.02 -1.32 -0.14 113.55 114.10 2x2k h SER 922 Ca -0.00 -0.89 -0.02 0.00 -0.84 0.00 0.00 61.79 60.04 2x2k h SER 922 Cb 0.63 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 2x2k h SER 922 CO 0.02 1.63 0.08 0.25 -1.14 0.00 0.00 176.83 177.66 2x2k h LEU 923 N 0.11 0.35 0.07 5.07 5.85 -1.06 -2.85 115.31 122.85 2x2k h LEU 923 Ca -0.22 -0.20 -0.32 0.00 0.84 0.00 0.00 57.88 57.98 2x2k h LEU 923 Cb 2.00 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 42.91 2x2k h LEU 923 CO 0.24 0.46 -1.78 0.49 -0.34 0.00 0.00 178.44 177.51 2x2k n PHE 924 N -4.76 1.09 0.29 1.25 3.01 -0.72 -4.62 117.46 113.00 2x2k n PHE 924 Ca -0.03 0.31 0.04 0.00 1.01 0.00 0.00 57.45 58.77 2x2k n PHE 924 Cb 0.15 -1.13 0.04 0.00 -0.01 0.00 0.00 39.48 38.53 2x2k n PHE 924 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 2x2k n ASP 925 N -3.83 1.70 -2.27 4.37 8.00 -0.15 -5.00 116.55 119.35 2x2k n ASP 925 Ca -0.33 -1.36 -0.20 0.00 0.71 0.00 0.00 54.79 53.61 2x2k n ASP 925 Cb 0.91 -0.01 -0.01 0.00 -0.02 0.00 0.00 41.12 41.99 2x2k n ASP 925 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 2x2k n HIS 926 N 0.41 -0.93 -3.67 1.24 8.25 -0.67 -4.92 115.22 114.93 2x2k n HIS 926 Ca 0.05 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.14 2x2k n HIS 926 Cb 0.20 -3.85 -0.10 0.00 1.12 0.00 0.00 29.99 27.36 2x2k n HIS 926 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2x2k s ILE 927 N -3.00 5.33 -0.06 1.59 1.01 -1.02 -1.77 121.20 123.29 2x2k s ILE 927 Ca 0.00 0.17 0.06 0.00 0.00 0.00 0.00 60.65 60.88 2x2k s ILE 927 Cb 0.00 -3.49 -0.01 0.00 0.01 0.00 0.00 42.46 38.97 2x2k s ILE 927 CO 0.00 0.35 -0.23 -0.31 0.00 0.00 0.00 174.94 174.75 2x2k s TYR 928 N 1.06 2.48 0.27 3.97 1.51 -1.26 -3.65 117.35 121.74 2x2k s TYR 928 Ca 0.07 -0.63 -0.05 0.00 -1.01 0.00 0.00 57.07 55.46 2x2k s TYR 928 Cb -0.14 -1.61 -0.01 0.00 -0.11 0.00 0.00 41.96 40.09 2x2k s TYR 928 CO 0.04 -0.16 0.36 0.95 -1.11 0.00 0.00 175.55 175.64 2x2k s THR 929 N -0.23 0.00 0.55 -0.71 -4.23 -1.26 -4.34 115.64 105.42 2x2k s THR 929 Ca -0.01 -1.68 0.24 0.00 -1.18 0.00 0.00 61.69 59.05 2x2k s THR 929 Cb -0.13 -2.45 0.33 0.00 1.34 0.00 0.00 72.50 71.59 2x2k s THR 929 CO 0.03 0.00 2.13 0.74 -0.54 0.00 0.00 174.62 176.98 2x2k h THR 930 N 2.30 0.72 0.00 3.99 2.02 -1.91 0.05 112.91 120.08 2x2k h THR 930 Ca -0.29 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 66.85 2x2k h THR 930 Cb 1.25 0.91 -0.01 0.00 -1.74 0.00 0.00 68.15 68.56 2x2k h THR 930 CO 0.41 0.00 -0.18 1.56 0.37 0.00 0.00 175.52 177.68 2x2k h GLN 931 N 0.00 0.00 0.03 6.66 1.08 -1.94 -2.13 115.11 118.80 2x2k h GLN 931 Ca 0.07 0.00 -0.23 0.00 -1.45 0.00 0.00 58.65 57.04 2x2k h GLN 931 Cb 0.32 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.72 2x2k h GLN 931 CO -0.00 0.18 -1.09 0.66 -0.95 0.00 0.00 178.83 177.63 2x2k h SER 932 N 0.00 0.09 -0.71 1.46 4.64 -1.35 -2.88 113.55 114.79 2x2k h SER 932 Ca -0.00 -0.10 0.05 0.00 -0.47 0.00 0.00 61.79 61.27 2x2k h SER 932 Cb 0.65 -0.03 -0.04 0.00 -0.31 0.00 0.00 62.40 62.67 2x2k h SER 932 CO 0.02 1.08 0.47 0.44 -0.87 0.00 0.00 176.83 177.97 2x2k h ASP 933 N 0.02 0.69 -0.15 4.97 3.32 -1.18 -1.48 116.42 122.61 2x2k h ASP 933 Ca -0.05 -0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.98 2x2k h ASP 933 Cb 1.82 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 41.22 2x2k h ASP 933 CO 0.14 0.46 0.04 0.58 -1.72 0.00 0.00 179.24 178.74 2x2k h VAL 934 N 0.79 1.20 -0.58 -1.35 2.07 -1.34 0.86 116.25 117.91 2x2k h VAL 934 Ca 0.30 -0.64 0.11 0.00 0.82 0.00 0.00 66.70 67.28 2x2k h VAL 934 Cb 0.17 1.34 -0.11 0.00 -1.52 0.00 0.00 31.29 31.16 2x2k h VAL 934 CO -0.09 0.19 -0.28 -0.25 0.02 0.00 0.00 177.57 177.16 2x2k h TRP 935 N 0.05 -0.75 -0.58 1.57 2.91 -1.26 0.77 115.95 118.67 2x2k h TRP 935 Ca 0.05 0.07 -0.00 0.00 1.13 0.00 0.00 58.89 60.13 2x2k h TRP 935 Cb 0.27 0.41 -0.03 0.00 -0.51 0.00 0.00 29.16 29.30 2x2k h TRP 935 CO 0.01 -0.35 0.35 0.77 -1.03 0.00 0.00 178.44 178.19 2x2k h SER 936 N -0.13 0.69 -0.75 2.65 0.02 -1.02 -1.80 113.55 113.21 2x2k h SER 936 Ca 0.25 -0.06 0.09 0.00 -0.84 0.00 0.00 61.79 61.23 2x2k h SER 936 Cb 0.53 -0.17 -0.07 0.00 0.14 0.00 0.00 62.40 62.83 2x2k h SER 936 CO -0.65 0.54 0.41 0.15 -1.14 0.00 0.00 176.83 176.14 2x2k h PHE 937 N 0.78 0.74 -0.39 3.45 3.57 -0.26 0.36 116.94 125.19 2x2k h PHE 937 Ca 0.21 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.74 2x2k h PHE 937 Cb -0.02 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.48 2x2k h PHE 937 CO -0.02 0.30 0.26 0.78 -2.23 0.00 0.00 178.31 177.39 2x2k h GLY 938 N 0.70 0.53 0.81 2.40 0.00 -0.03 0.38 103.07 107.85 2x2k h GLY 938 Ca 0.36 -0.20 -0.12 0.00 0.00 0.00 0.00 47.33 47.38 2x2k h GLY 938 CO -0.25 0.19 -0.38 -2.08 0.00 0.00 0.00 176.54 174.02 2x2k h VAL 939 N 0.50 1.38 -0.65 4.60 2.07 -0.46 -2.56 116.25 121.13 2x2k h VAL 939 Ca 0.14 -1.71 0.08 0.00 0.82 0.00 0.00 66.70 66.03 2x2k h VAL 939 Cb -0.03 2.15 -0.06 0.00 -1.52 0.00 0.00 31.29 31.83 2x2k h VAL 939 CO -0.03 0.51 0.33 0.25 0.02 0.00 0.00 177.57 178.64 2x2k h LEU 940 N 0.04 0.44 -0.33 2.57 5.85 0.16 -1.55 115.31 122.49 2x2k h LEU 940 Ca -0.02 0.05 0.07 0.00 0.84 0.00 0.00 57.88 58.83 2x2k h LEU 940 Cb 1.01 -0.03 -0.08 0.00 0.37 0.00 0.00 40.66 41.94 2x2k h LEU 940 CO 0.08 0.27 -0.18 -0.07 -0.34 0.00 0.00 178.44 178.20 2x2k h LEU 941 N 0.58 -0.60 -0.83 2.25 3.38 -0.14 0.30 115.31 120.25 2x2k h LEU 941 Ca 0.31 0.13 0.16 0.00 0.09 0.00 0.00 57.88 58.58 2x2k h LEU 941 Cb 0.28 0.32 -0.10 0.00 0.09 0.00 0.00 40.66 41.25 2x2k h LEU 941 CO -0.23 -0.21 0.38 -0.25 0.09 0.00 0.00 178.44 178.21 2x2k h TRP 942 N -0.13 0.65 -0.52 1.13 7.01 -1.14 0.14 115.95 123.09 2x2k h TRP 942 Ca 0.17 0.04 -0.05 0.00 2.11 0.00 0.00 58.89 61.16 2x2k h TRP 942 Cb 0.39 -0.16 -0.02 0.00 -2.10 0.00 0.00 29.16 27.27 2x2k h TRP 942 CO -0.39 0.08 0.14 0.93 -2.79 0.00 0.00 178.44 176.42 2x2k h GLU 943 N 0.50 0.82 0.54 2.65 5.08 0.37 -1.86 114.58 122.68 2x2k h GLU 943 Ca 0.47 -0.19 -0.02 0.00 -1.00 0.00 0.00 59.36 58.63 2x2k h GLU 943 Cb 0.76 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 2x2k h GLU 943 CO -0.42 0.77 -0.33 0.82 -1.00 0.00 0.00 179.01 178.84 2x2k h ILE 944 N 0.72 0.31 -0.18 3.13 2.04 0.23 0.56 117.51 124.33 2x2k h ILE 944 Ca 0.16 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.04 2x2k h ILE 944 Cb 0.31 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 2x2k h ILE 944 CO -0.00 0.00 0.12 0.58 0.00 0.00 0.00 178.15 178.85 2x2k h VAL 945 N -0.83 1.00 -0.27 1.67 2.07 -0.68 -1.67 116.25 117.54 2x2k h VAL 945 Ca -0.06 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.40 2x2k h VAL 945 Cb 0.68 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 2x2k h VAL 945 CO 0.06 0.03 0.00 0.35 0.02 0.00 0.00 177.57 178.03 2x2k n THR 946 N -4.51 0.35 -3.52 2.57 -2.24 -0.71 -4.93 114.28 101.30 2x2k n THR 946 Ca 0.00 -0.49 -0.19 0.00 -2.27 0.00 0.00 64.05 61.10 2x2k n THR 946 Cb 0.14 0.53 0.08 0.00 -2.10 0.00 0.00 70.33 68.98 2x2k n THR 946 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2x2k n LEU 947 N 0.72 -3.75 -0.51 3.22 4.77 -0.63 -3.48 117.00 117.34 2x2k n LEU 947 Ca 0.17 -0.65 0.00 0.00 -0.03 0.00 0.00 56.01 55.49 2x2k n LEU 947 Cb 0.41 -3.01 0.00 0.00 -2.33 0.00 0.00 43.42 38.49 2x2k n LEU 947 CO 0.13 0.42 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 2x2k n GLY 948 N -1.34 0.91 3.75 -0.72 0.00 0.19 -3.74 105.19 104.25 2x2k n GLY 948 Ca -0.25 -0.62 -0.29 0.00 0.00 0.00 0.00 46.02 44.87 2x2k n GLY 948 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2x2k s GLY 949 N -2.92 1.58 -0.30 -0.02 0.00 -1.23 -4.89 107.32 99.53 2x2k s GLY 949 Ca 0.00 -0.40 -0.13 0.00 0.00 0.00 0.00 44.72 44.18 2x2k s GLY 949 CO 0.00 0.15 0.28 -1.31 0.00 0.00 0.00 173.10 172.22 2x2k s ASN 950 N -3.81 6.11 0.61 1.64 0.01 -1.26 -4.79 114.94 113.46 2x2k s ASN 950 Ca 0.64 -0.08 -0.19 0.00 -0.71 0.00 0.00 52.86 52.52 2x2k s ASN 950 Cb -0.16 -2.16 -0.04 0.00 0.41 0.00 0.00 41.25 39.30 2x2k s ASN 950 CO 0.55 -0.18 1.10 -2.65 -1.51 0.00 0.00 177.10 174.41 2x2k n PRO 951 N 5.20 1.04 -4.08 -0.60 -0.02 -1.26 -2.88 135.00 132.41 2x2k n PRO 951 Ca -0.11 0.40 -0.47 0.00 -2.02 0.00 0.00 63.50 61.30 2x2k n PRO 951 Cb 0.51 -2.32 0.02 0.00 -0.02 0.00 0.00 33.50 31.69 2x2k n PRO 951 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2x2k n TYR 952 N -1.71 -1.41 -1.85 6.00 4.01 -1.26 -4.75 117.16 116.18 2x2k n TYR 952 Ca 0.14 0.09 -0.41 0.00 -0.16 0.00 0.00 57.90 57.56 2x2k n TYR 952 Cb 0.47 -2.77 -0.01 0.00 -0.31 0.00 0.00 39.34 36.72 2x2k n TYR 952 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 2x2k s PRO 953 N -7.37 4.16 -0.58 -0.72 0.04 -1.14 -2.49 135.00 126.89 2x2k s PRO 953 Ca 0.48 2.51 0.00 0.00 0.04 0.00 0.00 61.00 64.02 2x2k s PRO 953 Cb -0.26 -3.01 0.00 0.00 0.04 0.00 0.00 34.50 31.26 2x2k s PRO 953 CO 0.97 -0.52 0.00 0.41 0.04 0.00 0.00 177.00 177.91 2x2k n GLY 954 N 1.24 0.72 3.37 0.56 0.00 -1.26 -5.00 105.19 104.82 2x2k n GLY 954 Ca 0.04 -0.22 -0.35 0.00 0.00 0.00 0.00 46.02 45.49 2x2k n GLY 954 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2x2k s ILE 955 N -1.90 3.62 0.44 -0.61 1.01 -1.04 -5.11 121.20 117.61 2x2k s ILE 955 Ca 0.00 -0.42 -0.24 0.00 0.00 0.00 0.00 60.65 60.00 2x2k s ILE 955 Cb 0.00 -2.64 -0.08 0.00 0.01 0.00 0.00 42.46 39.75 2x2k s ILE 955 CO 0.00 0.42 1.18 -2.84 0.00 0.00 0.00 174.94 173.70 2x2k s PRO 956 N 1.25 3.86 0.31 2.79 0.02 -1.26 -4.92 135.00 137.05 2x2k s PRO 956 Ca 0.03 1.82 0.07 0.00 0.02 0.00 0.00 61.00 62.95 2x2k s PRO 956 Cb -0.14 -2.52 0.83 0.00 0.02 0.00 0.00 34.50 32.69 2x2k s PRO 956 CO -0.00 -0.48 1.72 -1.00 -0.33 0.00 0.00 177.00 176.91 2x2k h PRO 957 N 2.28 0.51 -0.12 5.54 0.13 -1.99 -1.56 132.00 136.79 2x2k h PRO 957 Ca -0.49 -0.03 0.03 0.00 -0.87 0.00 0.00 66.00 64.64 2x2k h PRO 957 Cb 1.24 -0.11 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 2x2k h PRO 957 CO 0.61 0.34 0.10 1.05 -0.23 0.00 0.00 178.00 179.87 2x2k h GLU 958 N 0.52 0.00 0.00 0.86 9.09 -2.02 -0.56 114.58 122.48 2x2k h GLU 958 Ca 0.61 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.02 2x2k h GLU 958 Cb 1.16 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.26 2x2k h GLU 958 CO -0.49 0.00 0.00 0.54 0.05 0.00 0.00 179.01 179.11 2x2k n ARG 959 N -4.19 0.12 0.14 1.06 3.00 -0.59 -3.69 116.66 112.51 2x2k n ARG 959 Ca -0.00 0.37 -0.01 0.00 -0.01 0.00 0.00 57.85 58.19 2x2k n ARG 959 Cb 0.22 -1.73 0.20 0.00 0.00 0.00 0.00 32.46 31.15 2x2k n ARG 959 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 2x2k h LEU 960 N 0.00 0.03 -0.05 0.55 4.07 -1.21 -1.89 115.31 116.81 2x2k h LEU 960 Ca 0.00 -0.01 0.03 0.00 0.08 0.00 0.00 57.88 57.98 2x2k h LEU 960 Cb 0.30 -0.01 -0.04 0.00 1.08 0.00 0.00 40.66 42.00 2x2k h LEU 960 CO 0.00 0.59 -0.17 -0.26 -1.08 0.00 0.00 178.44 177.52 2x2k h PHE 961 N 0.02 -0.44 0.03 1.13 -1.00 -1.76 -1.08 116.94 113.84 2x2k h PHE 961 Ca -0.01 0.02 -0.25 0.00 2.81 0.00 0.00 57.97 60.54 2x2k h PHE 961 Cb 1.01 0.20 0.01 0.00 3.61 0.00 0.00 35.95 40.78 2x2k h PHE 961 CO 0.00 -0.25 -1.04 -0.97 -1.61 0.00 0.00 178.31 174.45 2x2k h ASN 962 N -0.26 0.63 -0.28 2.17 -0.73 -1.79 -2.14 115.58 113.19 2x2k h ASN 962 Ca 0.07 -0.53 -0.03 0.00 1.87 0.00 0.00 56.30 57.67 2x2k h ASN 962 Cb 0.35 -0.19 -0.01 0.00 0.27 0.00 0.00 38.32 38.73 2x2k h ASN 962 CO -0.19 1.34 0.04 0.25 -0.37 0.00 0.00 177.43 178.50 2x2k h LEU 963 N 0.25 0.45 0.41 0.34 5.85 -1.32 -2.31 115.31 118.98 2x2k h LEU 963 Ca -0.11 -0.26 -0.02 0.00 0.84 0.00 0.00 57.88 58.33 2x2k h LEU 963 Cb 1.69 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.60 2x2k h LEU 963 CO 0.19 0.60 -0.20 -0.07 -0.34 0.00 0.00 178.44 178.62 2x2k h LEU 964 N 0.28 -0.47 -1.89 2.25 4.07 -1.23 -2.25 115.31 116.08 2x2k h LEU 964 Ca 0.09 -0.08 -0.03 0.00 0.08 0.00 0.00 57.88 57.94 2x2k h LEU 964 Cb 0.34 0.12 -0.00 0.00 1.08 0.00 0.00 40.66 42.20 2x2k h LEU 964 CO 0.01 -0.19 -0.13 0.07 -1.08 0.00 0.00 178.44 177.12 2x2k h LYS 965 N -0.74 0.00 -0.75 1.13 2.10 -1.41 -0.98 116.57 115.92 2x2k h LYS 965 Ca -0.06 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.59 2x2k h LYS 965 Cb 0.52 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.85 2x2k h LYS 965 CO 0.09 0.13 0.00 0.25 -2.00 0.00 0.00 179.45 177.92 2x2k n THR 966 N -3.82 1.37 -0.50 0.07 -2.24 -0.87 -4.92 114.28 103.37 2x2k n THR 966 Ca -0.02 -0.72 0.00 0.00 -2.27 0.00 0.00 64.05 61.04 2x2k n THR 966 Cb 0.23 -0.33 0.00 0.00 -2.10 0.00 0.00 70.33 68.13 2x2k n THR 966 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2x2k n GLY 967 N 0.40 1.09 3.81 3.38 0.00 -0.37 -5.04 105.19 108.46 2x2k n GLY 967 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 2x2k n GLY 967 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2x2k s HIS 968 N -3.15 3.11 0.05 1.61 3.76 -0.85 -5.03 115.29 114.80 2x2k s HIS 968 Ca 0.00 1.57 -0.05 0.00 -0.15 0.00 0.00 55.06 56.43 2x2k s HIS 968 Cb 0.00 -2.99 -0.01 0.00 1.11 0.00 0.00 32.58 30.69 2x2k s HIS 968 CO 0.00 -0.63 0.09 1.03 -0.85 0.00 0.00 174.74 174.38 2x2k s ARG 969 N -3.33 0.65 0.46 1.40 1.81 -1.26 -4.46 118.95 114.22 2x2k s ARG 969 Ca 0.65 -0.88 -0.23 0.00 -1.72 0.00 0.00 55.73 53.54 2x2k s ARG 969 Cb -0.14 0.25 -0.09 0.00 -0.45 0.00 0.00 34.95 34.52 2x2k s ARG 969 CO 0.20 -0.17 1.09 -1.33 -0.68 0.00 0.00 175.30 174.41 2x2k n MET 970 N 0.46 1.45 -2.03 3.54 2.81 -1.26 -4.97 117.12 117.12 2x2k n MET 970 Ca -0.17 0.52 -0.29 0.00 -1.81 0.00 0.00 57.70 55.95 2x2k n MET 970 Cb 0.60 -2.18 0.04 0.00 -0.71 0.00 0.00 33.22 30.96 2x2k n MET 970 CO 0.00 0.00 0.00 -1.83 1.51 0.00 0.00 175.97 175.65 2x2k s GLU 971 N -2.24 3.00 -0.24 0.03 -1.05 -1.26 -4.94 118.70 112.01 2x2k s GLU 971 Ca 0.65 0.38 -0.39 0.00 -0.15 0.00 0.00 54.97 55.46 2x2k s GLU 971 Cb -0.51 -2.10 -0.15 0.00 -0.44 0.00 0.00 34.13 30.93 2x2k s GLU 971 CO 0.55 -0.86 1.78 -2.13 0.95 0.00 0.00 175.26 175.55 2x2k n ARG 972 N -2.84 1.37 -1.50 -4.83 0.63 -1.26 -4.96 116.66 103.27 2x2k n ARG 972 Ca 0.06 0.50 -0.29 0.00 -0.92 0.00 0.00 57.85 57.20 2x2k n ARG 972 Cb 0.57 -2.22 0.13 0.00 0.45 0.00 0.00 32.46 31.38 2x2k n ARG 972 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 2x2k s PRO 973 N 3.67 1.30 0.71 -0.14 0.04 -1.26 -5.04 135.00 134.28 2x2k s PRO 973 Ca 0.97 0.41 -0.12 0.00 0.04 0.00 0.00 61.00 62.30 2x2k s PRO 973 Cb -0.99 -1.85 0.02 0.00 0.04 0.00 0.00 34.50 31.73 2x2k s PRO 973 CO 0.63 -2.11 1.08 -0.51 0.04 0.00 0.00 177.00 176.13 2x2k s ASP 974 N -3.93 4.97 -1.17 6.66 1.01 -1.26 -4.06 116.67 118.89 2x2k s ASP 974 Ca 0.63 1.80 -0.02 0.00 0.71 0.00 0.00 52.55 55.66 2x2k s ASP 974 Cb -0.15 -2.52 0.00 0.00 1.01 0.00 0.00 42.92 41.26 2x2k s ASP 974 CO 0.54 -1.72 0.99 0.59 0.21 0.00 0.00 175.17 175.78 2x2k n ASN 975 N -3.08 -3.22 -3.62 0.27 5.03 -1.26 -4.83 115.26 104.54 2x2k n ASN 975 Ca 0.09 -0.56 -0.13 0.00 0.87 0.00 0.00 54.58 54.85 2x2k n ASN 975 Cb 0.53 -4.82 -0.12 0.00 -1.02 0.00 0.00 39.78 34.34 2x2k n ASN 975 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2x2k s SER 977 N 2.45 2.59 0.11 0.00 1.04 -1.26 -4.83 113.70 113.80 2x2k s SER 977 Ca 0.02 1.76 -0.22 0.00 0.48 0.00 0.00 55.95 58.00 2x2k s SER 977 Cb -0.13 -2.37 -0.10 0.00 0.10 0.00 0.00 66.02 63.52 2x2k s SER 977 CO -0.10 -3.24 1.72 1.05 0.98 0.00 0.00 173.24 173.66 2x2k h GLU 978 N -1.96 -0.00 -0.79 4.02 9.09 -2.00 -2.74 114.58 120.20 2x2k h GLU 978 Ca -0.50 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 58.89 2x2k h GLU 978 Cb 1.29 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 28.35 2x2k h GLU 978 CO 0.49 -0.00 0.43 1.05 0.05 0.00 0.00 179.01 181.03 2x2k h GLU 979 N -0.00 1.10 -0.27 1.06 9.09 -1.99 -1.96 114.58 121.61 2x2k h GLU 979 Ca 0.04 -0.13 0.01 0.00 0.05 0.00 0.00 59.36 59.34 2x2k h GLU 979 Cb 0.07 -0.22 -0.02 0.00 -1.65 0.00 0.00 28.75 26.93 2x2k h GLU 979 CO -0.09 0.81 0.14 1.98 0.05 0.00 0.00 179.01 181.90 2x2k h MET 980 N 1.09 0.29 0.00 1.06 -1.53 -1.92 -1.94 114.93 111.98 2x2k h MET 980 Ca 0.28 -0.02 -0.01 0.00 -3.44 0.00 0.00 59.70 56.51 2x2k h MET 980 Cb 0.03 -0.06 -0.00 0.00 -0.55 0.00 0.00 31.60 31.02 2x2k h MET 980 CO -0.04 0.19 -0.04 -0.92 0.14 0.00 0.00 176.91 176.24 2x2k h TYR 981 N 0.29 0.00 -0.16 1.39 3.20 -1.12 -2.26 116.97 118.32 2x2k h TYR 981 Ca 0.11 0.00 -0.13 0.00 3.14 0.00 0.00 58.73 61.85 2x2k h TYR 981 Cb 0.02 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.28 2x2k h TYR 981 CO -0.09 0.04 -0.46 -0.09 -1.64 0.00 0.00 178.16 175.92 2x2k h ARG 982 N 0.00 0.39 -0.22 1.82 9.65 -0.63 -1.95 114.38 123.44 2x2k h ARG 982 Ca -0.00 -0.21 -0.09 0.00 -1.10 0.00 0.00 59.98 58.58 2x2k h ARG 982 Cb 0.06 0.01 -0.00 0.00 -1.39 0.00 0.00 29.97 28.65 2x2k h ARG 982 CO 0.00 0.77 -0.21 1.25 2.80 0.00 0.00 179.97 184.59 2x2k h LEU 983 N 0.32 0.57 0.47 3.80 5.85 -0.85 -1.26 115.31 124.20 2x2k h LEU 983 Ca 0.02 -0.47 -0.01 0.00 0.84 0.00 0.00 57.88 58.26 2x2k h LEU 983 Cb 0.93 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.78 2x2k h LEU 983 CO 0.08 0.92 -0.50 0.24 -0.34 0.00 0.00 178.44 178.84 2x2k h MET 984 N 0.22 -0.94 -0.85 1.25 2.86 -1.31 -1.97 114.93 114.19 2x2k h MET 984 Ca 0.04 0.06 0.18 0.00 -2.06 0.00 0.00 59.70 57.92 2x2k h MET 984 Cb 0.76 0.21 -0.11 0.00 0.06 0.00 0.00 31.60 32.53 2x2k h MET 984 CO 0.05 -0.63 0.38 -0.07 1.06 0.00 0.00 176.91 177.71 2x2k h LEU 985 N -0.98 0.38 -1.33 1.22 3.38 -1.37 0.54 115.31 117.16 2x2k h LEU 985 Ca -0.06 0.12 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 2x2k h LEU 985 Cb 0.86 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.67 2x2k h LEU 985 CO -0.08 0.10 0.03 -0.61 0.09 0.00 0.00 178.44 177.97 2x2k h GLN 986 N 0.48 0.48 0.00 1.13 4.15 -0.95 -0.73 115.11 119.68 2x2k h GLN 986 Ca 0.49 -0.09 -0.04 0.00 0.77 0.00 0.00 58.65 59.78 2x2k h GLN 986 Cb 0.82 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.43 2x2k h GLN 986 CO -0.45 0.49 -0.19 0.00 -1.93 0.00 0.00 178.83 176.75 2x2k n TRP 988 N -3.57 1.22 -1.77 0.00 8.01 -0.31 -3.48 117.44 117.53 2x2k n TRP 988 Ca -0.01 -0.51 -0.40 0.00 -1.31 0.00 0.00 57.50 55.26 2x2k n TRP 988 Cb 0.33 -0.16 0.01 0.00 -2.01 0.00 0.00 31.31 29.48 2x2k n TRP 988 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 2x2k n LYS 989 N 1.13 2.48 0.07 -0.99 4.76 -0.99 -4.88 118.16 119.74 2x2k n LYS 989 Ca 0.23 0.88 -0.12 0.00 -2.87 0.00 0.00 58.31 56.42 2x2k n LYS 989 Cb 0.74 -2.66 -0.06 0.00 -1.84 0.00 0.00 35.03 31.21 2x2k n LYS 989 CO 0.00 0.00 0.00 0.37 -1.37 0.00 0.00 177.40 176.40 2x2k h GLN 990 N 2.63 -0.12 -6.16 1.97 4.15 -1.92 -3.40 115.11 112.26 2x2k h GLN 990 Ca -0.51 0.01 -0.57 0.00 0.77 0.00 0.00 58.65 58.35 2x2k h GLN 990 Cb 1.25 0.03 -0.05 0.00 0.21 0.00 0.00 27.48 28.92 2x2k h GLN 990 CO 0.62 -0.08 0.88 -1.21 -1.93 0.00 0.00 178.83 177.11 2x2k s GLU 991 N -6.17 4.20 0.42 1.69 2.02 -1.26 -4.86 118.70 114.74 2x2k s GLU 991 Ca -0.14 1.51 0.08 0.00 0.02 0.00 0.00 54.97 56.44 2x2k s GLU 991 Cb 0.07 -3.74 0.91 0.00 0.10 0.00 0.00 34.13 31.47 2x2k s GLU 991 CO 0.66 -0.74 2.07 -1.35 0.02 0.00 0.00 175.26 175.92 2x2k h PRO 992 N 8.10 0.47 0.00 0.39 0.11 -1.96 -2.23 132.00 136.89 2x2k h PRO 992 Ca -0.24 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.84 2x2k h PRO 992 Cb 1.09 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.09 2x2k h PRO 992 CO 0.98 0.31 0.00 -0.25 -0.21 0.00 0.00 178.00 178.84 2x2k n ASP 993 N -4.48 0.34 -1.01 -2.05 8.00 -1.26 -2.37 116.55 113.72 2x2k n ASP 993 Ca 0.03 0.58 0.12 0.00 0.71 0.00 0.00 54.79 56.22 2x2k n ASP 993 Cb 0.07 -0.65 0.20 0.00 -0.02 0.00 0.00 41.12 40.72 2x2k n ASP 993 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2x2k n LYS 994 N -1.87 2.35 -2.82 -1.24 4.01 -0.84 -4.93 118.16 112.82 2x2k n LYS 994 Ca 0.03 -2.01 -0.30 0.00 -0.51 0.00 0.00 58.31 55.52 2x2k n LYS 994 Cb 0.22 -1.49 -0.03 0.00 -0.51 0.00 0.00 35.03 33.22 2x2k n LYS 994 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 2x2k s ARG 995 N -1.72 3.79 0.59 1.97 0.52 -1.00 -4.92 118.95 118.18 2x2k s ARG 995 Ca 0.35 0.50 -0.16 0.00 -0.52 0.00 0.00 55.73 55.89 2x2k s ARG 995 Cb 0.21 -2.38 -0.04 0.00 0.52 0.00 0.00 34.95 33.27 2x2k s ARG 995 CO 0.31 -0.05 1.07 -1.25 0.02 0.00 0.00 175.30 175.40 2x2k s PRO 996 N -3.87 3.26 0.59 3.54 0.04 -1.26 -5.05 135.00 132.25 2x2k s PRO 996 Ca 0.52 1.30 -0.06 0.00 0.04 0.00 0.00 61.00 62.80 2x2k s PRO 996 Cb -0.10 -2.02 0.01 0.00 0.04 0.00 0.00 34.50 32.43 2x2k s PRO 996 CO 0.31 -0.87 0.89 0.14 0.04 0.00 0.00 177.00 177.52 2x2k s VAL 997 N -2.31 3.63 0.49 -0.36 -7.23 -1.26 -4.91 120.40 108.45 2x2k s VAL 997 Ca 0.66 -0.03 0.21 0.00 -1.81 0.00 0.00 61.98 61.01 2x2k s VAL 997 Cb -0.18 -3.44 0.26 0.00 0.56 0.00 0.00 36.38 33.58 2x2k s VAL 997 CO 0.35 -0.45 2.10 -0.26 -0.31 0.00 0.00 175.10 176.53 2x2k h PHE 998 N -0.16 0.00 -0.56 2.82 0.04 -1.94 -1.83 116.94 115.30 2x2k h PHE 998 Ca -0.45 0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.34 2x2k h PHE 998 Cb 1.26 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 39.37 2x2k h PHE 998 CO 0.47 0.09 0.35 0.00 -0.60 0.00 0.00 178.31 178.62 2x2k h ALA 999 N 1.91 0.72 -0.41 2.45 0.00 -1.94 -0.11 119.26 121.88 2x2k h ALA 999 Ca -0.00 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 2x2k h ALA 999 Cb 0.19 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2x2k h ALA 999 CO 0.01 0.09 -0.16 -0.44 0.00 0.00 0.00 179.25 178.75 2x2k h ASP 1000N 0.70 0.78 0.15 0.00 3.32 -1.73 -0.70 116.42 118.94 2x2k h ASP 1000Ca 0.22 -0.25 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 2x2k h ASP 1000Cb -0.01 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.33 2x2k h ASP 1000CO -0.08 0.94 -0.07 0.40 -1.72 0.00 0.00 179.24 178.71 2x2k h ILE 1001N 0.69 0.90 -0.12 0.35 2.04 -1.12 0.37 117.51 120.63 2x2k h ILE 1001Ca 0.11 -0.20 0.04 0.00 1.00 0.00 0.00 64.86 65.81 2x2k h ILE 1001Cb 0.66 1.03 -0.05 0.00 -0.74 0.00 0.00 36.82 37.72 2x2k h ILE 1001CO 0.05 0.05 -0.20 0.28 0.00 0.00 0.00 178.15 178.32 2x2k h SER 1002N -0.29 -0.62 -0.57 1.72 0.02 -0.96 -0.66 113.55 112.20 2x2k h SER 1002Ca -0.02 0.10 0.11 0.00 -0.84 0.00 0.00 61.79 61.15 2x2k h SER 1002Cb 0.23 0.28 -0.11 0.00 0.14 0.00 0.00 62.40 62.94 2x2k h SER 1002CO 0.03 -0.25 -0.18 0.11 -1.14 0.00 0.00 176.83 175.40 2x2k h LYS 1003N -0.26 -0.04 -0.64 3.45 6.56 -0.88 -0.41 116.57 124.35 2x2k h LYS 1003Ca 0.10 0.00 0.01 0.00 -1.06 0.00 0.00 60.65 59.70 2x2k h LYS 1003Cb 0.40 0.01 -0.03 0.00 -0.57 0.00 0.00 32.23 32.04 2x2k h LYS 1003CO -0.27 -0.03 0.42 -0.44 -2.06 0.00 0.00 179.45 177.07 2x2k h ASP 1004N -0.05 0.72 -0.29 0.86 3.32 0.36 -1.37 116.42 119.97 2x2k h ASP 1004Ca 0.27 -0.02 -0.18 0.00 0.02 0.00 0.00 57.03 57.12 2x2k h ASP 1004Cb 0.46 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.83 2x2k h ASP 1004CO -0.61 0.51 -0.52 -0.07 -1.72 0.00 0.00 179.24 176.84 2x2k h LEU 1005N 0.85 0.97 -0.27 1.55 3.38 -0.75 -1.68 115.31 119.36 2x2k h LEU 1005Ca 0.24 -0.51 0.05 0.00 0.09 0.00 0.00 57.88 57.75 2x2k h LEU 1005Cb -0.08 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.34 2x2k h LEU 1005CO -0.06 1.30 -0.05 -0.33 0.09 0.00 0.00 178.44 179.39 2x2k h GLU 1006N 0.68 0.02 -0.75 1.13 5.08 -0.98 -0.90 114.58 118.87 2x2k h GLU 1006Ca 0.02 -0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.39 2x2k h GLU 1006Cb 1.12 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.33 2x2k h GLU 1006CO 0.12 0.01 0.49 -0.22 -1.00 0.00 0.00 179.01 178.41 2x2k h LYS 1007N 0.02 0.99 -0.33 2.33 3.64 -1.13 -2.07 116.57 120.02 2x2k h LYS 1007Ca 0.13 -0.06 -0.13 0.00 -1.27 0.00 0.00 60.65 59.32 2x2k h LYS 1007Cb 0.19 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 2x2k h LYS 1007CO -0.27 0.66 -0.32 0.52 -2.27 0.00 0.00 179.45 177.78 2x2k h MET 1008N 1.02 0.72 -0.05 1.90 2.86 -0.88 -3.06 114.93 117.44 2x2k h MET 1008Ca 0.27 -0.33 -0.00 0.00 -2.06 0.00 0.00 59.70 57.58 2x2k h MET 1008Cb -0.11 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.54 2x2k h MET 1008CO -0.06 0.94 0.03 1.98 1.06 0.00 0.00 176.91 180.86 2x2k h MET 1009N 0.61 0.06 0.00 1.72 1.85 -0.51 -3.00 114.93 115.66 2x2k h MET 1009Ca 0.07 -0.01 -0.09 0.00 -0.61 0.00 0.00 59.70 59.06 2x2k h MET 1009Cb 0.84 -0.01 -0.01 0.00 0.43 0.00 0.00 31.60 32.84 2x2k h MET 1009CO 0.07 0.10 -0.44 -0.24 -0.40 0.00 0.00 176.91 176.00 2x2k h VAL 1010N 0.01 0.99 0.00 -5.77 3.04 -1.49 -3.06 116.25 109.97 2x2k h VAL 1010Ca 0.02 -1.74 0.00 0.00 -1.01 0.00 0.00 66.70 63.97 2x2k h VAL 1010Cb 0.05 2.04 0.00 0.00 -2.01 0.00 0.00 31.29 31.37 2x2k h VAL 1010CO -0.00 0.43 -0.11 2.29 -1.01 0.00 0.00 177.57 179.17 2x2k n LYS 1011N -3.53 0.21 -0.29 4.17 2.85 -1.16 -3.35 118.16 117.06 2x2k n LYS 1011Ca -0.00 0.15 -0.02 0.00 -1.05 0.00 0.00 58.31 57.38 2x2k n LYS 1011Cb 0.56 -1.72 0.15 0.00 -0.65 0.00 0.00 35.03 33.37 2x2k n LYS 1011CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2x2k h ARG 1012N 0.00 1.15 0.00 -1.58 2.47 -1.41 -3.52 114.38 111.49 2x2k h ARG 1012Ca 0.00 -0.12 0.00 0.00 -1.26 0.00 0.00 59.98 58.60 2x2k h ARG 1012Cb 0.68 -0.23 0.00 0.00 -1.65 0.00 0.00 29.97 28.77 2x2k h ARG 1012CO 0.00 0.83 0.00 0.54 0.56 0.00 0.00 179.97 181.90