#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ity s ALA 698 N 0.00 2.42 0.43 4.31 0.00 -1.26 -5.00 121.76 122.66 2ity s ALA 698 Ca 0.00 1.18 -0.24 0.00 0.00 0.00 0.00 51.96 52.90 2ity s ALA 698 Cb 0.00 -3.53 -0.08 0.00 0.00 0.00 0.00 23.12 19.51 2ity s ALA 698 CO 0.00 -1.50 1.14 -1.25 0.00 0.00 0.00 175.76 174.15 2ity s PRO 699 N -3.36 3.93 -0.56 0.00 0.04 -1.26 -5.05 135.00 128.75 2ity s PRO 699 Ca 0.81 1.74 -0.16 0.00 0.04 0.00 0.00 61.00 63.43 2ity s PRO 699 Cb -0.36 -2.52 0.13 0.00 0.04 0.00 0.00 34.50 31.80 2ity s PRO 699 CO 0.38 -0.40 0.52 1.21 0.04 0.00 0.00 177.00 178.76 2ity s ASN 700 N -1.33 6.21 -0.35 6.66 3.04 -1.26 -4.90 114.94 123.01 2ity s ASN 700 Ca 0.60 -1.81 0.09 0.00 0.04 0.00 0.00 52.86 51.79 2ity s ASN 700 Cb -0.28 -2.22 0.74 0.00 -1.54 0.00 0.00 41.25 37.95 2ity s ASN 700 CO 0.34 -0.86 1.84 0.00 -3.04 0.00 0.00 177.10 175.38 2ity n GLN 701 N 5.26 3.45 -1.53 0.43 6.02 -1.26 -4.94 117.38 124.81 2ity n GLN 701 Ca -0.13 -3.09 -0.41 0.00 -0.01 0.00 0.00 57.00 53.37 2ity n GLN 701 Cb 0.40 -2.21 0.02 0.00 1.02 0.00 0.00 30.24 29.47 2ity n GLN 701 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2ity n ALA 702 N -0.35 -0.63 -2.72 -1.58 0.00 -1.26 -4.96 120.51 109.01 2ity n ALA 702 Ca 0.45 0.15 -0.37 0.00 0.00 0.00 0.00 53.44 53.67 2ity n ALA 702 Cb 1.45 -1.93 -0.07 0.00 0.00 0.00 0.00 19.45 18.90 2ity n ALA 702 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2ity s LEU 703 N 0.34 4.28 -0.23 0.00 1.43 -1.26 -5.06 118.68 118.18 2ity s LEU 703 Ca 0.65 0.54 -0.16 0.00 -1.03 0.00 0.00 54.13 54.13 2ity s LEU 703 Cb -0.55 -2.36 -0.04 0.00 0.03 0.00 0.00 46.19 43.28 2ity s LEU 703 CO 0.56 0.15 0.40 -0.22 0.23 0.00 0.00 176.35 177.47 2ity s LEU 704 N 0.18 4.11 -0.11 1.79 2.96 -1.26 -4.98 118.68 121.37 2ity s LEU 704 Ca 0.17 0.46 -0.10 0.00 -0.22 0.00 0.00 54.13 54.44 2ity s LEU 704 Cb -0.13 -2.51 -0.05 0.00 0.50 0.00 0.00 46.19 44.01 2ity s LEU 704 CO 0.05 -0.13 0.20 -0.60 -1.32 0.00 0.00 176.35 174.55 2ity s ARG 705 N 1.61 3.72 -0.27 1.98 3.52 -1.26 -5.00 118.95 123.24 2ity s ARG 705 Ca 0.18 -0.02 -0.06 0.00 -0.13 0.00 0.00 55.73 55.70 2ity s ARG 705 Cb -0.15 -3.25 -0.01 0.00 -1.56 0.00 0.00 34.95 29.98 2ity s ARG 705 CO 0.08 0.64 0.05 0.42 -0.81 0.00 0.00 175.30 175.69 2ity s ILE 706 N -0.69 3.93 -0.12 4.11 -1.09 -1.26 -0.03 121.20 126.05 2ity s ILE 706 Ca 0.16 -0.50 -0.04 0.00 -2.23 0.00 0.00 60.65 58.04 2ity s ILE 706 Cb -0.13 -2.92 -0.03 0.00 -1.58 0.00 0.00 42.46 37.79 2ity s ILE 706 CO 0.05 0.23 0.03 -0.76 -1.23 0.00 0.00 174.94 173.25 2ity s LEU 707 N 1.53 3.69 1.27 2.97 1.43 0.13 -4.93 118.68 124.76 2ity s LEU 707 Ca 0.04 0.14 -0.20 0.00 -1.03 0.00 0.00 54.13 53.07 2ity s LEU 707 Cb -0.16 -1.88 0.31 0.00 0.03 0.00 0.00 46.19 44.50 2ity s LEU 707 CO 0.02 0.31 1.07 -0.54 0.23 0.00 0.00 176.35 177.43 2ity s LYS 708 N -0.48 -1.75 -0.04 1.70 1.02 -1.26 -4.20 119.74 114.73 2ity s LYS 708 Ca 0.09 -0.05 0.20 0.00 0.02 0.00 0.00 55.97 56.24 2ity s LYS 708 Cb -0.12 -1.53 -0.26 0.00 -0.52 0.00 0.00 37.83 35.40 2ity s LYS 708 CO 0.02 -4.07 0.47 -1.91 -0.92 0.00 0.00 175.35 168.95 2ity n GLU 709 N -5.02 0.66 0.00 1.68 2.13 -1.26 -4.04 120.64 114.79 2ity n GLU 709 Ca 0.13 -0.07 0.10 0.00 0.66 0.00 0.00 57.16 57.99 2ity n GLU 709 Cb 0.60 -1.58 0.60 0.00 0.27 0.00 0.00 31.44 31.33 2ity n GLU 709 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 2ity n THR 710 N -2.50 0.00 0.88 6.31 -2.24 -1.26 -2.64 114.28 112.83 2ity n THR 710 Ca -0.12 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.78 2ity n THR 710 Cb 0.75 -0.67 0.13 0.00 -2.10 0.00 0.00 70.33 68.43 2ity n THR 710 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2ity n GLU 711 N -1.00 0.08 -3.70 -0.78 2.13 -1.26 -4.88 120.64 111.24 2ity n GLU 711 Ca 0.15 0.01 -0.13 0.00 0.66 0.00 0.00 57.16 57.84 2ity n GLU 711 Cb 0.07 -1.53 -0.09 0.00 0.27 0.00 0.00 31.44 30.16 2ity n GLU 711 CO 0.00 0.00 0.00 -0.59 -0.41 0.00 0.00 177.13 176.13 2ity s PHE 712 N -3.05 -0.57 -0.48 4.31 -0.12 -1.08 -0.66 117.98 116.33 2ity s PHE 712 Ca 0.09 1.38 -0.06 0.00 -0.05 0.00 0.00 56.93 58.28 2ity s PHE 712 Cb 0.16 0.19 0.12 0.00 -0.63 0.00 0.00 43.02 42.87 2ity s PHE 712 CO 0.75 -0.28 0.32 -1.59 -0.05 0.00 0.00 175.22 174.37 2ity s LYS 713 N 0.26 2.34 0.54 1.99 0.00 -0.64 -4.94 119.74 119.29 2ity s LYS 713 Ca -0.00 -1.90 -0.18 0.00 0.00 0.00 0.00 55.97 53.89 2ity s LYS 713 Cb -0.04 -3.79 -0.14 0.00 0.00 0.00 0.00 37.83 33.86 2ity s LYS 713 CO 0.01 -1.15 -0.04 1.17 0.00 0.00 0.00 175.35 175.33 2ity n LYS 714 N 4.60 0.08 -2.70 1.78 4.81 -1.26 -3.00 118.16 122.47 2ity n LYS 714 Ca -0.03 0.03 -0.05 0.00 -0.87 0.00 0.00 58.31 57.39 2ity n LYS 714 Cb 0.41 -1.13 0.10 0.00 0.02 0.00 0.00 35.03 34.43 2ity n LYS 714 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 2ity n ILE 715 N -1.61 0.33 0.00 3.15 5.41 0.81 -4.88 119.36 122.57 2ity n ILE 715 Ca 0.08 -1.82 0.00 0.00 1.00 0.00 0.00 62.75 62.01 2ity n ILE 715 Cb 0.48 0.97 0.00 0.00 -0.71 0.00 0.00 39.64 40.38 2ity n ILE 715 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 2ity n LYS 716 N -0.74 0.00 -2.03 0.38 4.81 -1.21 -4.84 118.16 114.53 2ity n LYS 716 Ca -0.03 0.00 -0.30 0.00 -0.87 0.00 0.00 58.31 57.10 2ity n LYS 716 Cb 0.85 0.00 0.01 0.00 0.02 0.00 0.00 35.03 35.91 2ity n LYS 716 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2ity s VAL 717 N -1.32 4.65 0.00 3.15 1.01 -1.26 -1.21 120.40 125.42 2ity s VAL 717 Ca 0.00 0.71 0.00 0.00 0.00 0.00 0.00 61.98 62.69 2ity s VAL 717 Cb 0.00 -3.84 0.00 0.00 0.00 0.00 0.00 36.38 32.54 2ity s VAL 717 CO 0.00 -1.05 0.00 0.18 0.00 0.00 0.00 175.10 174.23 2ity n LEU 718 N -2.67 0.69 -2.92 3.92 4.77 0.57 -4.82 117.00 116.54 2ity n LEU 718 Ca 0.05 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.92 2ity n LEU 718 Cb 0.54 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.62 2ity n LEU 718 CO 0.57 0.11 0.01 0.61 -1.33 0.00 0.00 177.39 177.37 2ity n GLY 719 N 2.12 0.31 0.00 -0.72 0.00 -0.37 -4.97 105.19 101.56 2ity n GLY 719 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.93 2ity n GLY 719 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ity n SER 720 N 2.62 -0.32 -0.74 1.61 3.41 -1.26 -0.55 113.62 118.38 2ity n SER 720 Ca 0.19 -0.11 0.00 0.00 -0.26 0.00 0.00 58.87 58.69 2ity n SER 720 Cb 0.55 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.50 2ity n SER 720 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ity n GLY 721 N 2.08 -0.51 5.45 5.00 0.00 -1.04 -4.72 105.19 111.44 2ity n GLY 721 Ca 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.13 2ity n GLY 721 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ity n ALA 722 N 0.36 0.00 0.00 4.61 0.00 -1.26 -2.47 120.51 121.75 2ity n ALA 722 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2ity n ALA 722 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2ity n ALA 722 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2ity n PHE 723 N 0.00 0.00 0.00 0.00 7.35 -1.26 -5.09 117.46 118.46 2ity n PHE 723 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 2ity n PHE 723 Cb 0.00 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.83 2ity n PHE 723 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2ity n GLY 724 N 2.20 5.14 2.90 7.13 0.00 -1.03 -1.74 105.19 119.78 2ity n GLY 724 Ca 0.00 -0.77 -0.02 0.00 0.00 0.00 0.00 46.02 45.23 2ity n GLY 724 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ity s THR 725 N 3.32 -0.82 -0.29 2.61 2.01 -1.23 -2.51 115.64 118.74 2ity s THR 725 Ca 0.00 -0.46 -0.28 0.00 0.31 0.00 0.00 61.69 61.25 2ity s THR 725 Cb 0.00 0.00 -0.03 0.00 0.01 0.00 0.00 72.50 72.48 2ity s THR 725 CO 0.00 0.00 1.85 -0.69 -0.69 0.00 0.00 174.62 175.09 2ity s VAL 726 N 1.32 3.41 0.00 3.82 1.01 0.29 -3.88 120.40 126.37 2ity s VAL 726 Ca 0.23 0.42 0.00 0.00 0.00 0.00 0.00 61.98 62.63 2ity s VAL 726 Cb 0.01 -3.53 0.00 0.00 0.00 0.00 0.00 36.38 32.85 2ity s VAL 726 CO -0.07 -0.32 0.00 -1.22 0.00 0.00 0.00 175.10 173.48 2ity n TYR 727 N 10.26 -1.50 -3.68 5.22 4.02 -0.83 -0.31 117.16 130.34 2ity n TYR 727 Ca 0.24 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.99 2ity n TYR 727 Cb 0.46 0.00 -0.09 0.00 -0.02 0.00 0.00 39.34 39.69 2ity n TYR 727 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 176.86 174.26 2ity s LYS 728 N 0.14 0.64 0.00 -0.72 -2.85 -0.35 -3.46 119.74 113.15 2ity s LYS 728 Ca 0.00 0.79 0.00 0.00 -1.00 0.00 0.00 55.97 55.76 2ity s LYS 728 Cb 0.00 0.30 0.00 0.00 -2.06 0.00 0.00 37.83 36.07 2ity s LYS 728 CO 0.00 -0.08 0.00 0.41 0.10 0.00 0.00 175.35 175.78 2ity n GLY 729 N 2.86 3.77 3.17 0.59 0.00 -0.62 -0.13 105.19 114.82 2ity n GLY 729 Ca -0.14 -0.17 -0.11 0.00 0.00 0.00 0.00 46.02 45.59 2ity n GLY 729 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ity s LEU 730 N 0.00 0.18 -0.19 0.99 1.43 -1.16 -2.91 118.68 117.02 2ity s LEU 730 Ca 0.00 0.71 -0.04 0.00 -1.03 0.00 0.00 54.13 53.78 2ity s LEU 730 Cb 0.00 1.06 -0.02 0.00 0.03 0.00 0.00 46.19 47.26 2ity s LEU 730 CO 0.00 -0.18 -0.04 0.86 0.23 0.00 0.00 176.35 177.22 2ity s TRP 731 N 1.27 2.97 -0.64 0.29 -0.00 -0.57 -1.62 118.94 120.64 2ity s TRP 731 Ca -0.09 -0.62 -0.00 0.00 -0.00 0.00 0.00 56.10 55.39 2ity s TRP 731 Cb -0.09 -2.03 0.16 0.00 -0.00 0.00 0.00 33.47 31.51 2ity s TRP 731 CO -0.10 -0.30 0.44 0.42 -0.00 0.00 0.00 176.95 177.40 2ity s ILE 732 N 0.96 3.45 -0.78 5.86 1.01 0.16 -0.23 121.20 131.62 2ity s ILE 732 Ca 0.00 -3.27 -0.23 0.00 0.00 0.00 0.00 60.65 57.15 2ity s ILE 732 Cb -0.15 -3.26 -0.17 0.00 0.01 0.00 0.00 42.46 38.89 2ity s ILE 732 CO 0.01 -0.89 2.41 -0.81 0.00 0.00 0.00 174.94 175.66 2ity n PRO 733 N 3.13 0.49 -1.55 2.79 -0.04 -1.26 -4.79 135.00 133.77 2ity n PRO 733 Ca 0.10 -0.29 -0.45 0.00 -0.04 0.00 0.00 63.50 62.81 2ity n PRO 733 Cb 0.36 -2.71 -0.02 0.00 -0.04 0.00 0.00 33.50 31.10 2ity n PRO 733 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2ity n GLU 734 N 8.15 1.10 -2.71 0.54 2.13 -1.26 -2.24 120.64 126.35 2ity n GLU 734 Ca 0.52 0.39 -0.06 0.00 0.66 0.00 0.00 57.16 58.66 2ity n GLU 734 Cb 0.34 -1.69 0.02 0.00 0.27 0.00 0.00 31.44 30.37 2ity n GLU 734 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2ity n GLY 735 N 1.37 0.55 0.00 8.31 0.00 -1.26 -4.93 105.19 109.23 2ity n GLY 735 Ca 0.11 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.66 2ity n GLY 735 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ity n GLU 736 N -1.59 0.00 -2.99 1.61 1.02 -0.95 -5.08 120.64 112.66 2ity n GLU 736 Ca -0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.01 2ity n GLU 736 Cb 0.52 -0.33 0.06 0.00 -0.02 0.00 0.00 31.44 31.67 2ity n GLU 736 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2ity n LYS 737 N -0.79 -3.75 -3.96 3.49 4.81 -1.26 -5.05 118.16 111.65 2ity n LYS 737 Ca 0.00 0.66 -0.09 0.00 -0.87 0.00 0.00 58.31 58.00 2ity n LYS 737 Cb 0.00 -4.98 -0.11 0.00 0.02 0.00 0.00 35.03 29.96 2ity n LYS 737 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 2ity s VAL 738 N -3.28 0.11 -0.06 3.15 -7.23 -1.26 -4.98 120.40 106.85 2ity s VAL 738 Ca 0.14 -0.92 0.06 0.00 -1.81 0.00 0.00 61.98 59.45 2ity s VAL 738 Cb -0.02 -0.39 -0.01 0.00 0.56 0.00 0.00 36.38 36.52 2ity s VAL 738 CO 0.56 -0.51 -0.24 -0.54 -0.31 0.00 0.00 175.10 174.06 2ity s LYS 739 N -1.63 2.53 -0.22 4.82 1.02 -1.15 -4.06 119.74 121.05 2ity s LYS 739 Ca -0.14 -0.89 0.02 0.00 0.02 0.00 0.00 55.97 54.98 2ity s LYS 739 Cb -0.08 -2.17 0.04 0.00 -0.52 0.00 0.00 37.83 35.10 2ity s LYS 739 CO -0.01 0.41 -0.14 0.42 -0.92 0.00 0.00 175.35 175.10 2ity s ILE 740 N -0.23 2.03 0.22 2.17 1.01 0.67 -1.80 121.20 125.27 2ity s ILE 740 Ca -0.02 -1.25 -0.32 0.00 0.00 0.00 0.00 60.65 59.07 2ity s ILE 740 Cb -0.13 -2.01 -0.12 0.00 0.01 0.00 0.00 42.46 40.20 2ity s ILE 740 CO 0.03 0.23 1.68 -2.65 0.00 0.00 0.00 174.94 174.23 2ity n PRO 741 N 4.55 2.69 -3.96 2.79 -0.02 -1.26 -1.52 135.00 138.27 2ity n PRO 741 Ca -0.17 0.97 -0.09 0.00 -2.02 0.00 0.00 63.50 62.19 2ity n PRO 741 Cb 0.46 -2.79 -0.10 0.00 -0.02 0.00 0.00 33.50 31.04 2ity n PRO 741 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2ity s VAL 742 N 0.94 0.12 0.24 -1.45 -7.23 -1.15 -2.45 120.40 109.42 2ity s VAL 742 Ca 0.74 -1.03 0.08 0.00 -1.81 0.00 0.00 61.98 59.96 2ity s VAL 742 Cb -0.52 -0.61 -0.04 0.00 0.56 0.00 0.00 36.38 35.76 2ity s VAL 742 CO 0.36 -0.57 0.06 0.00 -0.31 0.00 0.00 175.10 174.64 2ity s ALA 743 N -2.05 3.30 -0.18 1.32 0.00 0.22 -1.59 121.76 122.79 2ity s ALA 743 Ca -0.10 -1.51 -0.05 0.00 0.00 0.00 0.00 51.96 50.31 2ity s ALA 743 Cb -0.05 -0.99 0.07 0.00 0.00 0.00 0.00 23.12 22.15 2ity s ALA 743 CO -0.03 0.32 0.13 0.42 0.00 0.00 0.00 175.76 176.61 2ity s ILE 744 N -2.11 -0.17 -0.92 0.00 1.01 -1.22 0.26 121.20 118.04 2ity s ILE 744 Ca 0.31 -0.12 -0.10 0.00 0.00 0.00 0.00 60.65 60.74 2ity s ILE 744 Cb -0.08 -0.59 0.24 0.00 0.01 0.00 0.00 42.46 42.04 2ity s ILE 744 CO 0.21 -0.24 0.86 -0.75 0.00 0.00 0.00 174.94 175.03 2ity s LYS 745 N 2.21 3.70 -1.16 2.79 2.20 0.32 -1.97 119.74 127.82 2ity s LYS 745 Ca 0.04 -2.81 -0.04 0.00 -0.36 0.00 0.00 55.97 52.80 2ity s LYS 745 Cb -0.16 -4.37 0.23 0.00 -1.51 0.00 0.00 37.83 32.02 2ity s LYS 745 CO -0.10 -1.26 1.99 -1.91 -0.36 0.00 0.00 175.35 173.71 2ity n GLU 746 N 3.33 4.87 -1.33 4.03 2.13 -1.25 -2.28 120.64 130.13 2ity n GLU 746 Ca 0.18 -4.12 -0.47 0.00 0.66 0.00 0.00 57.16 53.41 2ity n GLU 746 Cb 0.43 -2.57 -0.03 0.00 0.27 0.00 0.00 31.44 29.53 2ity n GLU 746 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 2ity n LEU 747 N 1.10 -1.03 0.00 4.31 4.77 -1.26 -4.27 117.00 120.62 2ity n LEU 747 Ca 0.49 1.07 0.00 0.00 -0.03 0.00 0.00 56.01 57.54 2ity n LEU 747 Cb 0.27 -0.89 0.00 0.00 -2.33 0.00 0.00 43.42 40.47 2ity n LEU 747 CO 0.63 -2.69 0.00 -1.14 -1.33 0.00 0.00 177.39 172.86 2ity n ARG 748 N 1.00 0.00 -0.25 3.23 3.00 -0.71 -4.66 116.66 118.26 2ity n ARG 748 Ca 0.17 0.00 0.03 0.00 -0.00 0.00 0.00 57.85 58.05 2ity n ARG 748 Cb 0.22 0.00 0.11 0.00 0.00 0.00 0.00 32.46 32.79 2ity n ARG 748 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.63 179.12 2ity h GLU 749 N 0.64 0.03 -2.30 -0.14 4.22 -1.90 -3.40 114.58 111.73 2ity h GLU 749 Ca 0.00 -0.00 -0.26 0.00 0.08 0.00 0.00 59.36 59.17 2ity h GLU 749 Cb 0.00 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 2ity h GLU 749 CO 0.00 0.02 0.65 0.00 -2.18 0.00 0.00 179.01 177.50 2ity n ALA 750 N -3.12 0.11 -1.36 2.92 0.00 -1.26 -4.73 120.51 113.06 2ity n ALA 750 Ca 0.11 -0.02 -0.24 0.00 0.00 0.00 0.00 53.44 53.29 2ity n ALA 750 Cb 0.41 -0.91 -0.09 0.00 0.00 0.00 0.00 19.45 18.86 2ity n ALA 750 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2ity n THR 751 N 2.94 3.46 -2.26 0.00 -1.04 -1.26 -4.96 114.28 111.16 2ity n THR 751 Ca 0.25 -2.60 -0.43 0.00 -2.04 0.00 0.00 64.05 59.24 2ity n THR 751 Cb -0.00 -1.84 -0.02 0.00 -1.82 0.00 0.00 70.33 66.65 2ity n THR 751 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 2ity s SER 752 N 1.02 6.63 0.45 8.00 0.01 -1.26 -4.88 113.70 123.67 2ity s SER 752 Ca 0.62 1.59 0.39 0.00 1.31 0.00 0.00 55.95 59.86 2ity s SER 752 Cb 0.33 -2.54 1.44 0.00 0.21 0.00 0.00 66.02 65.46 2ity s SER 752 CO -0.13 -1.05 1.35 -2.65 0.41 0.00 0.00 173.24 171.18 2ity n PRO 753 N 7.25 -0.01 0.00 12.44 -0.02 -1.26 -0.02 135.00 153.38 2ity n PRO 753 Ca 0.16 0.99 0.00 0.00 -2.02 0.00 0.00 63.50 62.63 2ity n PRO 753 Cb 0.45 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 2ity n PRO 753 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2ity n LYS 754 N -3.91 0.00 0.20 -0.52 3.00 -1.26 -3.53 118.16 112.15 2ity n LYS 754 Ca 0.38 0.84 0.10 0.00 -0.00 0.00 0.00 58.31 59.62 2ity n LYS 754 Cb 1.63 -1.29 0.17 0.00 0.00 0.00 0.00 35.03 35.55 2ity n LYS 754 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2ity h ALA 755 N -1.01 0.92 -0.15 3.14 0.00 -0.82 -2.75 119.26 118.60 2ity h ALA 755 Ca 0.00 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 54.84 2ity h ALA 755 Cb 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2ity h ALA 755 CO 0.00 0.16 0.11 -0.91 0.00 0.00 0.00 179.25 178.61 2ity h ASN 756 N 0.00 0.00 -0.21 0.00 2.35 -1.62 -1.09 115.58 115.01 2ity h ASN 756 Ca -0.00 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.62 2ity h ASN 756 Cb 1.06 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.43 2ity h ASN 756 CO 0.02 0.00 -0.37 0.50 -1.65 0.00 0.00 177.43 175.92 2ity h LYS 757 N 0.00 0.63 0.00 0.81 3.11 -1.53 -2.81 116.57 116.78 2ity h LYS 757 Ca 0.07 -0.39 -0.04 0.00 -2.81 0.00 0.00 60.65 57.48 2ity h LYS 757 Cb 0.29 0.04 -0.01 0.00 -1.00 0.00 0.00 32.23 31.56 2ity h LYS 757 CO -0.00 1.01 -0.18 0.93 -2.81 0.00 0.00 179.45 178.40 2ity h GLU 758 N 0.31 0.00 0.00 1.90 5.08 -1.26 -1.81 114.58 118.81 2ity h GLU 758 Ca 0.01 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.18 2ity h GLU 758 Cb 0.97 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.19 2ity h GLU 758 CO 0.08 0.18 -1.65 1.51 -1.00 0.00 0.00 179.01 178.13 2ity n ILE 759 N -3.97 1.12 0.20 3.13 3.06 -0.68 -2.68 119.36 119.55 2ity n ILE 759 Ca -0.02 -0.70 0.10 0.00 -2.50 0.00 0.00 62.75 59.63 2ity n ILE 759 Cb 0.26 -0.64 0.13 0.00 0.54 0.00 0.00 39.64 39.94 2ity n ILE 759 CO 0.00 0.00 0.00 -0.07 -2.50 0.00 0.00 176.55 173.98 2ity h LEU 760 N 0.00 0.00 -0.09 9.51 3.38 -1.30 -1.37 115.31 125.44 2ity h LEU 760 Ca -0.22 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.66 2ity h LEU 760 Cb 1.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.41 2ity h LEU 760 CO 0.04 0.09 -0.32 0.44 0.09 0.00 0.00 178.44 178.78 2ity h ASP 761 N 0.00 0.45 -0.12 -0.43 5.19 -1.37 -0.10 116.42 120.04 2ity h ASP 761 Ca -0.00 -0.62 0.04 0.00 -0.62 0.00 0.00 57.03 55.83 2ity h ASP 761 Cb 1.07 -0.13 -0.06 0.00 0.18 0.00 0.00 39.33 40.39 2ity h ASP 761 CO 0.01 0.99 -0.41 -0.33 -3.12 0.00 0.00 179.24 176.38 2ity h GLU 762 N -0.07 -0.47 -0.33 3.56 5.08 -1.33 -1.89 114.58 119.13 2ity h GLU 762 Ca -0.01 0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.44 2ity h GLU 762 Cb 0.96 0.11 -0.05 0.00 0.50 0.00 0.00 28.75 30.26 2ity h GLU 762 CO 0.07 -0.32 -0.01 0.00 -1.00 0.00 0.00 179.01 177.75 2ity h ALA 763 N 0.13 0.28 -0.32 3.43 0.00 -1.21 0.15 119.26 121.72 2ity h ALA 763 Ca 0.07 0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.13 2ity h ALA 763 Cb 0.62 0.17 -0.08 0.00 0.00 0.00 0.00 17.79 18.50 2ity h ALA 763 CO -0.39 -0.41 -0.50 -0.92 0.00 0.00 0.00 179.25 177.03 2ity h TYR 764 N 0.08 -1.51 0.04 0.00 5.03 -0.64 0.56 116.97 120.53 2ity h TYR 764 Ca 0.16 0.07 0.01 0.00 2.58 0.00 0.00 58.73 61.55 2ity h TYR 764 Cb 0.22 0.70 -0.03 0.00 1.55 0.00 0.00 36.73 39.17 2ity h TYR 764 CO -0.24 -0.49 -0.35 0.28 -1.32 0.00 0.00 178.16 176.04 2ity h VAL 765 N -0.43 0.00 -0.89 1.81 2.07 -0.54 -2.95 116.25 115.31 2ity h VAL 765 Ca 0.08 0.00 0.24 0.00 0.82 0.00 0.00 66.70 67.84 2ity h VAL 765 Cb 0.62 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.34 2ity h VAL 765 CO -0.53 0.00 0.62 0.24 0.02 0.00 0.00 177.57 177.92 2ity h MET 766 N -0.47 0.13 0.00 1.57 2.86 -0.20 0.46 114.93 119.30 2ity h MET 766 Ca 0.00 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2ity h MET 766 Cb 0.49 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.11 2ity h MET 766 CO -0.21 0.09 0.00 0.00 1.06 0.00 0.00 176.91 177.85 2ity h ALA 767 N 1.58 1.00 -0.01 6.32 0.00 0.27 -2.74 119.26 125.67 2ity h ALA 767 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.35 2ity h ALA 767 Cb 1.52 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.31 2ity h ALA 767 CO -0.07 0.00 -0.24 0.43 0.00 0.00 0.00 179.25 179.37 2ity n SER 768 N -2.68 1.68 -4.87 0.00 7.64 0.16 -4.66 113.62 110.90 2ity n SER 768 Ca 0.02 -1.34 -0.26 0.00 1.01 0.00 0.00 58.87 58.30 2ity n SER 768 Cb 0.32 0.37 -0.04 0.00 -1.01 0.00 0.00 64.21 63.85 2ity n SER 768 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2ity s VAL 769 N -1.67 4.88 -0.29 0.44 -7.23 -0.95 -5.01 120.40 110.57 2ity s VAL 769 Ca 0.13 -0.89 0.03 0.00 -1.81 0.00 0.00 61.98 59.44 2ity s VAL 769 Cb 0.12 -3.50 0.18 0.00 0.56 0.00 0.00 36.38 33.75 2ity s VAL 769 CO 0.33 -0.09 0.54 -0.62 -0.31 0.00 0.00 175.10 174.95 2ity s ASP 770 N -3.14 -1.01 -0.29 4.85 2.15 -1.26 -4.83 116.67 113.14 2ity s ASP 770 Ca 0.33 0.23 -0.24 0.00 0.43 0.00 0.00 52.55 53.29 2ity s ASP 770 Cb -0.11 1.80 0.14 0.00 -0.30 0.00 0.00 42.92 44.46 2ity s ASP 770 CO 0.26 -0.30 1.13 0.21 -0.17 0.00 0.00 175.17 176.30 2ity s ASN 771 N 2.75 -0.35 0.59 -0.34 3.84 -1.26 -5.06 114.94 115.11 2ity s ASN 771 Ca 0.13 0.68 0.29 0.00 0.21 0.00 0.00 52.86 54.16 2ity s ASN 771 Cb -0.12 0.71 1.32 0.00 -0.55 0.00 0.00 41.25 42.62 2ity s ASN 771 CO -0.25 -0.12 1.71 -0.65 -2.79 0.00 0.00 177.10 175.00 2ity h PRO 772 N 4.05 0.00 -0.47 0.43 0.11 -1.99 -1.63 132.00 132.49 2ity h PRO 772 Ca -0.28 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.65 2ity h PRO 772 Cb 1.18 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 32.18 2ity h PRO 772 CO 0.13 0.00 0.09 0.72 -0.21 0.00 0.00 178.00 178.73 2ity n HIS 773 N -3.57 1.52 -3.84 0.65 8.25 -1.26 -4.80 115.22 112.17 2ity n HIS 773 Ca 0.14 -1.39 -0.13 0.00 -0.26 0.00 0.00 57.72 56.08 2ity n HIS 773 Cb 0.97 -0.54 -0.14 0.00 1.12 0.00 0.00 29.99 31.40 2ity n HIS 773 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2ity s VAL 774 N -3.11 -0.01 -0.25 1.59 1.01 -0.62 -0.18 120.40 118.83 2ity s VAL 774 Ca 0.47 0.05 -0.29 0.00 0.00 0.00 0.00 61.98 62.21 2ity s VAL 774 Cb 0.40 -0.06 0.01 0.00 0.00 0.00 0.00 36.38 36.74 2ity s VAL 774 CO 0.06 0.02 1.03 0.00 0.00 0.00 0.00 175.10 176.21 2ity s ARG 776 N 3.29 3.77 -0.01 0.00 3.52 -1.26 -4.87 118.95 123.37 2ity s ARG 776 Ca 0.44 0.19 -0.30 0.00 -0.13 0.00 0.00 55.73 55.93 2ity s ARG 776 Cb -0.14 -2.74 -0.04 0.00 -1.56 0.00 0.00 34.95 30.47 2ity s ARG 776 CO 0.09 0.38 1.12 -1.17 -0.81 0.00 0.00 175.30 174.91 2ity s LEU 777 N -2.66 4.32 0.05 -0.88 2.96 -1.04 -4.26 118.68 117.19 2ity s LEU 777 Ca 0.44 1.80 -0.14 0.00 -0.22 0.00 0.00 54.13 56.01 2ity s LEU 777 Cb -0.12 -3.57 -0.30 0.00 0.50 0.00 0.00 46.19 42.71 2ity s LEU 777 CO 0.22 -0.45 1.09 -0.07 -1.32 0.00 0.00 176.35 175.82 2ity h LEU 778 N 7.40 0.84 0.00 -0.68 3.38 -1.72 -3.44 115.31 121.09 2ity h LEU 778 Ca -0.38 -0.80 0.00 0.00 0.09 0.00 0.00 57.88 56.79 2ity h LEU 778 Cb 1.19 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.67 2ity h LEU 778 CO 0.82 1.61 0.00 0.61 0.09 0.00 0.00 178.44 181.57 2ity n GLY 779 N 1.45 -0.46 3.30 0.83 0.00 -1.24 -4.55 105.19 104.52 2ity n GLY 779 Ca -0.14 -0.98 -0.18 0.00 0.00 0.00 0.00 46.02 44.72 2ity n GLY 779 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2ity s ILE 780 N -2.00 1.56 -0.12 -0.61 -4.36 0.95 -2.67 121.20 113.95 2ity s ILE 780 Ca 0.00 -2.01 0.02 0.00 -0.26 0.00 0.00 60.65 58.40 2ity s ILE 780 Cb 0.00 -1.84 -0.01 0.00 1.25 0.00 0.00 42.46 41.86 2ity s ILE 780 CO 0.00 -0.52 -0.18 0.00 0.24 0.00 0.00 174.94 174.48 2ity n LEU 782 N 3.49 6.39 -0.02 0.00 4.77 -1.26 -1.83 117.00 128.54 2ity n LEU 782 Ca -0.18 -5.35 -0.22 0.00 -0.03 0.00 0.00 56.01 50.23 2ity n LEU 782 Cb 0.53 -0.92 -0.13 0.00 -2.33 0.00 0.00 43.42 40.56 2ity n LEU 782 CO 0.29 2.10 -0.62 0.71 -1.33 0.00 0.00 177.39 178.54 2ity h THR 783 N 2.41 0.82 0.00 -5.08 1.35 -1.97 -3.47 112.91 106.97 2ity h THR 783 Ca 0.42 -2.31 0.00 0.00 -0.55 0.00 0.00 66.41 63.96 2ity h THR 783 Cb 0.37 2.49 0.00 0.00 -1.73 0.00 0.00 68.15 69.28 2ity h THR 783 CO 1.10 0.69 0.00 -1.20 -0.25 0.00 0.00 175.52 175.86 2ity n SER 784 N -3.87 -0.59 -4.52 5.36 7.64 -1.26 -5.08 113.62 111.31 2ity n SER 784 Ca -0.30 0.16 -0.26 0.00 1.01 0.00 0.00 58.87 59.47 2ity n SER 784 Cb 0.91 0.84 -0.10 0.00 -1.01 0.00 0.00 64.21 64.85 2ity n SER 784 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2ity s THR 785 N -2.00 2.91 -0.29 0.44 -1.32 -1.26 -4.94 115.64 109.17 2ity s THR 785 Ca 0.00 -1.82 -0.26 0.00 -1.21 0.00 0.00 61.69 58.40 2ity s THR 785 Cb 0.00 -2.44 0.00 0.00 -1.51 0.00 0.00 72.50 68.56 2ity s THR 785 CO 0.00 -0.14 0.89 -0.69 -2.21 0.00 0.00 174.62 172.48 2ity s VAL 786 N -1.76 4.72 -0.04 5.08 1.01 -1.26 -4.74 120.40 123.41 2ity s VAL 786 Ca 0.24 1.47 -0.16 0.00 0.00 0.00 0.00 61.98 63.53 2ity s VAL 786 Cb -0.08 -4.23 -0.05 0.00 0.00 0.00 0.00 36.38 32.02 2ity s VAL 786 CO 0.14 -0.27 0.43 -1.10 0.00 0.00 0.00 175.10 174.30 2ity s GLN 787 N 3.14 4.09 -0.30 2.72 -0.21 -0.76 -4.43 119.66 123.90 2ity s GLN 787 Ca 0.37 0.43 -0.06 0.00 0.02 0.00 0.00 55.36 56.12 2ity s GLN 787 Cb -0.14 -3.30 0.01 0.00 1.00 0.00 0.00 33.01 30.59 2ity s GLN 787 CO 0.12 0.50 0.07 -1.17 -2.12 0.00 0.00 175.29 172.69 2ity s LEU 788 N -0.48 3.86 -0.07 2.90 2.96 -0.97 -1.71 118.68 125.17 2ity s LEU 788 Ca 0.24 -0.78 -0.02 0.00 -0.22 0.00 0.00 54.13 53.35 2ity s LEU 788 Cb -0.16 -1.86 -0.03 0.00 0.50 0.00 0.00 46.19 44.63 2ity s LEU 788 CO 0.12 -0.20 0.03 -0.63 -1.32 0.00 0.00 176.35 174.34 2ity s ILE 789 N 1.47 4.48 0.05 6.68 1.09 -1.09 0.12 121.20 134.01 2ity s ILE 789 Ca 0.02 -0.26 -0.27 0.00 -1.10 0.00 0.00 60.65 59.04 2ity s ILE 789 Cb -0.17 -2.93 0.07 0.00 -1.06 0.00 0.00 42.46 38.37 2ity s ILE 789 CO 0.02 0.55 0.66 0.28 -0.10 0.00 0.00 174.94 176.35 2ity s THR 790 N -0.96 0.00 -0.14 2.92 -1.32 0.14 -1.80 115.64 114.48 2ity s THR 790 Ca 0.15 0.00 -0.41 0.00 -1.21 0.00 0.00 61.69 60.22 2ity s THR 790 Cb -0.11 -1.00 -0.19 0.00 -1.51 0.00 0.00 72.50 69.69 2ity s THR 790 CO 0.05 0.00 1.36 1.67 -2.21 0.00 0.00 174.62 175.49 2ity n GLN 791 N 0.21 0.42 -2.04 7.08 7.27 -1.26 0.69 117.38 129.76 2ity n GLN 791 Ca -0.17 0.15 -0.41 0.00 0.07 0.00 0.00 57.00 56.64 2ity n GLN 791 Cb 0.61 -1.71 -0.02 0.00 2.41 0.00 0.00 30.24 31.53 2ity n GLN 791 CO 0.00 0.00 0.00 -1.17 0.07 0.00 0.00 177.06 175.96 2ity s LEU 792 N 1.37 4.39 -0.82 1.69 2.96 -1.03 -4.43 118.68 122.81 2ity s LEU 792 Ca 0.94 2.62 -0.06 0.00 -0.22 0.00 0.00 54.13 57.41 2ity s LEU 792 Cb -1.23 -3.62 0.21 0.00 0.50 0.00 0.00 46.19 42.05 2ity s LEU 792 CO 0.62 -0.68 0.71 -0.04 -1.32 0.00 0.00 176.35 175.64 2ity s MET 793 N -0.27 3.25 0.38 1.98 -1.94 -1.26 -4.90 119.30 116.54 2ity s MET 793 Ca 0.59 -2.84 0.10 0.00 -1.71 0.00 0.00 55.69 51.83 2ity s MET 793 Cb -0.41 -4.07 0.87 0.00 2.01 0.00 0.00 34.83 33.22 2ity s MET 793 CO 0.42 -1.24 1.93 -1.35 -0.01 0.00 0.00 175.02 174.77 2ity h PRO 794 N 6.84 0.60 -0.25 2.03 0.11 -1.76 0.10 132.00 139.67 2ity h PRO 794 Ca 0.09 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.17 2ity h PRO 794 Cb 0.92 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.89 2ity h PRO 794 CO 0.80 0.40 0.00 1.19 -0.21 0.00 0.00 178.00 180.18 2ity n PHE 795 N -4.50 0.33 -2.57 0.65 3.01 -1.12 -5.03 117.46 108.24 2ity n PHE 795 Ca 0.13 -0.17 0.00 0.00 1.01 0.00 0.00 57.45 58.42 2ity n PHE 795 Cb 0.37 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.84 2ity n PHE 795 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2ity n GLY 796 N 0.97 -1.25 3.89 1.37 0.00 0.35 -4.72 105.19 105.80 2ity n GLY 796 Ca 0.11 -1.50 -0.30 0.00 0.00 0.00 0.00 46.02 44.32 2ity n GLY 796 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ity h LEU 798 N 1.94 0.07 0.62 0.00 5.85 -0.84 -1.35 115.31 121.61 2ity h LEU 798 Ca -0.47 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.20 2ity h LEU 798 Cb 1.18 -0.02 0.01 0.00 0.37 0.00 0.00 40.66 42.20 2ity h LEU 798 CO 0.67 0.35 -0.30 0.25 -0.34 0.00 0.00 178.44 179.07 2ity h LEU 799 N 0.07 -0.71 -0.94 2.25 5.85 -1.79 -1.06 115.31 118.98 2ity h LEU 799 Ca 0.01 -0.01 0.10 0.00 0.84 0.00 0.00 57.88 58.82 2ity h LEU 799 Cb 0.52 0.18 -0.08 0.00 0.37 0.00 0.00 40.66 41.66 2ity h LEU 799 CO 0.04 -0.43 0.58 0.44 -0.34 0.00 0.00 178.44 178.73 2ity h ASP 800 N -0.96 0.86 -0.53 1.25 3.45 -1.83 -1.25 116.42 117.41 2ity h ASP 800 Ca -0.09 0.04 0.01 0.00 0.43 0.00 0.00 57.03 57.42 2ity h ASP 800 Cb 0.68 -0.13 -0.03 0.00 -0.56 0.00 0.00 39.33 39.29 2ity h ASP 800 CO 0.14 0.49 0.35 0.22 -1.57 0.00 0.00 179.24 178.86 2ity h TYR 801 N 0.95 0.65 -0.18 4.55 5.03 -0.88 -0.56 116.97 126.54 2ity h TYR 801 Ca 0.45 0.02 -0.07 0.00 2.58 0.00 0.00 58.73 61.70 2ity h TYR 801 Cb 0.38 -0.22 -0.00 0.00 1.55 0.00 0.00 36.73 38.44 2ity h TYR 801 CO -0.02 0.41 -0.18 -0.39 -1.32 0.00 0.00 178.16 176.66 2ity h VAL 802 N 0.70 1.34 -0.73 1.81 -1.51 -0.49 -1.80 116.25 115.57 2ity h VAL 802 Ca 0.20 -1.34 0.17 0.00 -1.23 0.00 0.00 66.70 64.50 2ity h VAL 802 Cb -0.07 1.81 -0.04 0.00 -2.13 0.00 0.00 31.29 30.85 2ity h VAL 802 CO -0.05 0.40 0.50 0.03 -1.23 0.00 0.00 177.57 177.22 2ity h ARG 803 N 0.09 0.27 -0.00 5.19 3.08 -0.91 0.13 114.38 122.22 2ity h ARG 803 Ca 0.03 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.06 2ity h ARG 803 Cb 0.71 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.70 2ity h ARG 803 CO 0.04 0.18 -0.64 -1.91 -1.07 0.00 0.00 179.97 176.58 2ity n GLU 804 N -4.44 0.24 -0.13 0.04 4.07 -0.25 -4.36 120.64 115.82 2ity n GLU 804 Ca 0.14 -0.17 0.02 0.00 -0.06 0.00 0.00 57.16 57.09 2ity n GLU 804 Cb 0.61 -1.50 0.03 0.00 -0.06 0.00 0.00 31.44 30.52 2ity n GLU 804 CO 0.00 0.00 0.00 0.72 -0.06 0.00 0.00 177.13 177.79 2ity n HIS 805 N -1.23 0.00 -0.19 4.31 8.25 -0.12 -4.91 115.22 121.34 2ity n HIS 805 Ca 0.06 -0.32 -0.05 0.00 -0.26 0.00 0.00 57.72 57.15 2ity n HIS 805 Cb 0.35 -0.05 -0.05 0.00 1.12 0.00 0.00 29.99 31.36 2ity n HIS 805 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2ity n LYS 806 N -0.40 -0.20 0.00 -0.41 5.02 -0.34 -1.25 118.16 120.57 2ity n LYS 806 Ca 0.03 0.72 0.00 0.00 -2.02 0.00 0.00 58.31 57.04 2ity n LYS 806 Cb 0.51 -1.06 0.00 0.00 -0.02 0.00 0.00 35.03 34.47 2ity n LYS 806 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2ity n ASP 807 N -4.49 0.45 0.00 4.39 8.00 -1.26 -2.48 116.55 121.16 2ity n ASP 807 Ca 0.01 -1.31 0.00 0.00 0.71 0.00 0.00 54.79 54.20 2ity n ASP 807 Cb 0.12 -0.22 0.00 0.00 -0.02 0.00 0.00 41.12 41.00 2ity n ASP 807 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2ity n ASN 808 N -0.04 0.00 -4.63 -2.24 5.15 -0.38 -5.06 115.26 108.06 2ity n ASN 808 Ca 0.00 -1.00 -0.37 0.00 -0.60 0.00 0.00 54.58 52.61 2ity n ASN 808 Cb 0.11 0.00 -0.10 0.00 -0.53 0.00 0.00 39.78 39.26 2ity n ASN 808 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2ity s ILE 809 N 0.00 5.33 0.75 -1.44 1.01 -1.04 -4.38 121.20 121.44 2ity s ILE 809 Ca 0.00 0.18 -0.08 0.00 0.00 0.00 0.00 60.65 60.75 2ity s ILE 809 Cb 0.00 -3.52 0.09 0.00 0.01 0.00 0.00 42.46 39.04 2ity s ILE 809 CO 0.00 0.30 1.07 -0.83 0.00 0.00 0.00 174.94 175.48 2ity s GLY 810 N 1.40 1.69 0.17 6.18 0.00 -1.26 -4.95 107.32 110.56 2ity s GLY 810 Ca 0.07 -1.00 -0.10 0.00 0.00 0.00 0.00 44.72 43.69 2ity s GLY 810 CO 0.08 -0.52 1.60 1.48 0.00 0.00 0.00 173.10 175.73 2ity h SER 811 N -0.78 1.00 -0.85 1.64 4.64 -1.89 -1.55 113.55 115.77 2ity h SER 811 Ca -0.44 -0.34 0.14 0.00 -0.47 0.00 0.00 61.79 60.69 2ity h SER 811 Cb 1.30 -0.27 -0.09 0.00 -0.31 0.00 0.00 62.40 63.03 2ity h SER 811 CO 0.56 1.10 0.44 -0.61 -0.87 0.00 0.00 176.83 177.46 2ity h GLN 812 N 0.88 0.62 -0.18 4.77 5.75 -1.94 0.14 115.11 125.16 2ity h GLN 812 Ca 0.14 -0.04 -0.21 0.00 -0.15 0.00 0.00 58.65 58.40 2ity h GLN 812 Cb 0.63 -0.14 0.01 0.00 1.07 0.00 0.00 27.48 29.05 2ity h GLN 812 CO 0.04 0.41 -0.72 1.88 -2.65 0.00 0.00 178.83 177.80 2ity h TYR 813 N 0.64 1.01 -0.10 3.99 0.05 -1.91 -0.45 116.97 120.20 2ity h TYR 813 Ca 0.46 -0.42 -0.00 0.00 0.05 0.00 0.00 58.73 58.81 2ity h TYR 813 Cb 0.63 -0.17 -0.00 0.00 1.01 0.00 0.00 36.73 38.20 2ity h TYR 813 CO -0.09 1.25 0.05 -0.07 -1.05 0.00 0.00 178.16 178.25 2ity h LEU 814 N 0.54 0.13 -0.42 3.88 3.38 -0.05 -0.14 115.31 122.62 2ity h LEU 814 Ca -0.03 -0.10 -0.10 0.00 0.09 0.00 0.00 57.88 57.73 2ity h LEU 814 Cb 1.33 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 42.04 2ity h LEU 814 CO 0.15 0.20 -0.14 -0.07 0.09 0.00 0.00 178.44 178.66 2ity h LEU 815 N 0.06 0.86 -0.34 1.67 3.38 -0.85 -2.40 115.31 117.69 2ity h LEU 815 Ca 0.04 -0.38 0.01 0.00 0.09 0.00 0.00 57.88 57.63 2ity h LEU 815 Cb 0.10 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 2ity h LEU 815 CO -0.01 1.04 0.21 0.78 0.09 0.00 0.00 178.44 180.56 2ity h ASN 816 N 0.67 0.37 -0.63 -0.43 4.21 -0.96 -0.20 115.58 118.60 2ity h ASN 816 Ca 0.10 -0.01 0.13 0.00 1.21 0.00 0.00 56.30 57.74 2ity h ASN 816 Cb 0.68 -0.09 -0.10 0.00 -1.12 0.00 0.00 38.32 37.69 2ity h ASN 816 CO 0.05 0.26 0.04 -0.50 -1.29 0.00 0.00 177.43 175.99 2ity h TRP 817 N 0.44 0.02 -0.79 1.19 6.55 -0.76 0.16 115.95 122.76 2ity h TRP 817 Ca 0.13 0.04 -0.01 0.00 0.95 0.00 0.00 58.89 60.00 2ity h TRP 817 Cb -0.04 0.09 -0.04 0.00 -0.86 0.00 0.00 29.16 28.31 2ity h TRP 817 CO -0.06 -0.14 0.45 0.00 -1.05 0.00 0.00 178.44 177.64 2ity h VAL 819 N 1.09 0.84 -0.38 0.00 2.07 0.75 -1.57 116.25 119.04 2ity h VAL 819 Ca 0.28 -0.21 -0.14 0.00 0.82 0.00 0.00 66.70 67.45 2ity h VAL 819 Cb -0.00 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 29.93 2ity h VAL 819 CO -0.05 0.11 -0.31 1.56 0.02 0.00 0.00 177.57 178.91 2ity h GLN 820 N 0.61 0.88 -0.41 1.57 4.20 0.41 -1.21 115.11 121.17 2ity h GLN 820 Ca 0.36 -0.44 -0.12 0.00 0.06 0.00 0.00 58.65 58.51 2ity h GLN 820 Cb 0.39 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.16 2ity h GLN 820 CO -0.28 1.09 -0.23 0.82 -0.67 0.00 0.00 178.83 179.56 2ity h ILE 821 N 0.69 1.27 -0.75 2.54 2.04 -1.12 -0.64 117.51 121.54 2ity h ILE 821 Ca 0.07 -1.36 -0.01 0.00 1.00 0.00 0.00 64.86 64.56 2ity h ILE 821 Cb 0.89 1.21 -0.04 0.00 -0.74 0.00 0.00 36.82 38.14 2ity h ILE 821 CO 0.08 0.46 0.44 0.00 0.00 0.00 0.00 178.15 179.13 2ity h ALA 822 N 1.02 0.96 -0.50 1.87 0.00 -0.95 0.31 119.26 121.96 2ity h ALA 822 Ca 0.10 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.93 2ity h ALA 822 Cb 0.76 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 2ity h ALA 822 CO 0.06 0.44 0.31 0.87 0.00 0.00 0.00 179.25 180.93 2ity h LYS 823 N 1.03 0.60 -0.11 0.00 1.57 -0.90 -0.07 116.57 118.69 2ity h LYS 823 Ca 0.27 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 59.00 2ity h LYS 823 Cb -0.02 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.15 2ity h LYS 823 CO -0.05 0.40 0.04 0.78 -0.57 0.00 0.00 179.45 180.04 2ity h GLY 824 N 0.62 0.19 1.43 3.86 0.00 0.51 0.28 103.07 109.95 2ity h GLY 824 Ca 0.20 -0.11 -0.08 0.00 0.00 0.00 0.00 47.33 47.34 2ity h GLY 824 CO -0.08 0.10 -0.07 -0.33 0.00 0.00 0.00 176.54 176.17 2ity h MET 825 N -0.00 0.69 -0.75 4.80 2.86 -0.39 -1.84 114.93 120.30 2ity h MET 825 Ca 0.04 -0.20 -0.04 0.00 -2.06 0.00 0.00 59.70 57.44 2ity h MET 825 Cb 0.22 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.77 2ity h MET 825 CO -0.00 0.75 0.33 -0.97 1.06 0.00 0.00 176.91 178.08 2ity h ASN 826 N 0.64 1.00 -0.44 1.22 -1.24 -0.57 -1.15 115.58 115.03 2ity h ASN 826 Ca 0.12 -0.13 0.01 0.00 0.71 0.00 0.00 56.30 57.01 2ity h ASN 826 Cb 0.50 -0.26 -0.03 0.00 0.73 0.00 0.00 38.32 39.27 2ity h ASN 826 CO 0.03 0.87 0.28 0.22 -1.29 0.00 0.00 177.43 177.53 2ity h TYR 827 N 1.08 0.53 0.00 0.67 3.20 -0.23 0.76 116.97 122.97 2ity h TYR 827 Ca 0.26 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.11 2ity h TYR 827 Cb 0.16 -0.18 -0.00 0.00 1.54 0.00 0.00 36.73 38.25 2ity h TYR 827 CO 0.02 0.32 -0.12 -0.07 -1.64 0.00 0.00 178.16 176.66 2ity h LEU 828 N 0.57 0.00 0.04 2.82 3.38 -1.03 -1.64 115.31 119.44 2ity h LEU 828 Ca 0.17 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.94 2ity h LEU 828 Cb -0.03 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.73 2ity h LEU 828 CO -0.05 0.12 -0.80 -0.08 0.09 0.00 0.00 178.44 177.72 2ity h GLU 829 N 0.00 0.48 -0.82 1.13 4.81 -0.05 0.72 114.58 120.85 2ity h GLU 829 Ca -0.00 -0.56 0.16 0.00 -0.13 0.00 0.00 59.36 58.82 2ity h GLU 829 Cb 0.28 0.17 -0.06 0.00 0.63 0.00 0.00 28.75 29.77 2ity h GLU 829 CO 0.02 1.20 0.54 -0.44 -0.73 0.00 0.00 179.01 179.60 2ity h ASP 830 N -0.00 0.47 -0.19 1.04 3.45 -0.01 0.57 116.42 121.75 2ity h ASP 830 Ca -0.11 0.03 0.00 0.00 0.43 0.00 0.00 57.03 57.38 2ity h ASP 830 Cb 1.51 -0.06 0.00 0.00 -0.56 0.00 0.00 39.33 40.22 2ity h ASP 830 CO 0.16 0.23 0.00 0.54 -1.57 0.00 0.00 179.24 178.60 2ity n ARG 831 N -4.51 1.95 -1.69 3.56 5.12 -0.75 -4.94 116.66 115.41 2ity n ARG 831 Ca 0.16 -1.43 -0.12 0.00 -1.93 0.00 0.00 57.85 54.53 2ity n ARG 831 Cb 0.54 -1.44 -0.04 0.00 -1.16 0.00 0.00 32.46 30.37 2ity n ARG 831 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2ity n ARG 832 N 0.66 -0.91 -3.37 5.56 1.74 0.20 -5.00 116.66 115.54 2ity n ARG 832 Ca 0.17 0.81 -0.38 0.00 -0.77 0.00 0.00 57.85 57.69 2ity n ARG 832 Cb 0.42 -4.90 -0.07 0.00 -1.02 0.00 0.00 32.46 26.89 2ity n ARG 832 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2ity s LEU 833 N -3.11 4.21 -0.20 0.55 1.43 0.24 -2.19 118.68 119.61 2ity s LEU 833 Ca 0.00 0.63 -0.19 0.00 -1.03 0.00 0.00 54.13 53.54 2ity s LEU 833 Cb 0.00 -2.57 -0.03 0.00 0.03 0.00 0.00 46.19 43.62 2ity s LEU 833 CO 0.00 -0.03 0.55 -0.69 0.23 0.00 0.00 176.35 176.41 2ity s VAL 834 N 0.97 5.08 0.03 -1.59 1.01 0.21 -4.26 120.40 121.84 2ity s VAL 834 Ca 0.21 1.03 -0.18 0.00 0.00 0.00 0.00 61.98 63.04 2ity s VAL 834 Cb -0.15 -3.87 -0.23 0.00 0.00 0.00 0.00 36.38 32.13 2ity s VAL 834 CO 0.08 0.15 1.13 -0.74 0.00 0.00 0.00 175.10 175.72 2ity h HIS 835 N 7.49 0.76 0.00 5.22 2.76 -1.90 -0.71 115.15 128.77 2ity h HIS 835 Ca -0.33 -0.41 0.00 0.00 -2.20 0.00 0.00 60.37 57.43 2ity h HIS 835 Cb 1.15 -0.09 0.00 0.00 1.55 0.00 0.00 27.41 30.02 2ity h HIS 835 CO 0.71 1.24 0.00 0.54 -1.30 0.00 0.00 177.93 179.11 2ity n ARG 836 N -4.10 0.00 -2.68 5.26 1.74 -1.26 -2.14 116.66 113.49 2ity n ARG 836 Ca -0.11 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 56.89 2ity n ARG 836 Cb 0.74 -2.62 0.03 0.00 -1.02 0.00 0.00 32.46 29.59 2ity n ARG 836 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2ity n ASP 837 N 0.00 1.43 -4.73 0.55 2.03 -1.26 -4.97 116.55 109.59 2ity n ASP 837 Ca 0.00 -2.65 -0.41 0.00 0.52 0.00 0.00 54.79 52.25 2ity n ASP 837 Cb 0.00 -0.51 -0.03 0.00 -0.72 0.00 0.00 41.12 39.85 2ity n ASP 837 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 2ity s LEU 838 N -3.18 4.42 -0.09 -2.67 2.96 -1.26 -4.78 118.68 114.08 2ity s LEU 838 Ca 0.27 2.10 -0.32 0.00 -0.22 0.00 0.00 54.13 55.96 2ity s LEU 838 Cb 0.45 -3.59 0.12 0.00 0.50 0.00 0.00 46.19 43.66 2ity s LEU 838 CO 0.03 -0.38 1.07 0.00 -1.32 0.00 0.00 176.35 175.75 2ity s ALA 839 N 0.39 -1.96 0.41 5.97 0.00 -1.26 -4.79 121.76 120.51 2ity s ALA 839 Ca 0.55 1.26 0.10 0.00 0.00 0.00 0.00 51.96 53.86 2ity s ALA 839 Cb -0.30 0.16 0.92 0.00 0.00 0.00 0.00 23.12 23.89 2ity s ALA 839 CO 0.33 -0.67 2.01 0.00 0.00 0.00 0.00 175.76 177.43 2ity h ALA 840 N 2.00 1.84 0.00 0.00 0.00 -1.93 -1.47 119.26 119.70 2ity h ALA 840 Ca -0.16 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 2ity h ALA 840 Cb 1.20 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 2ity h ALA 840 CO 0.26 0.07 -0.09 0.07 0.00 0.00 0.00 179.25 179.57 2ity h ARG 841 N 0.52 0.00 -0.63 0.00 0.11 -1.95 -2.46 114.38 109.98 2ity h ARG 841 Ca 0.23 0.00 -0.20 0.00 0.10 0.00 0.00 59.98 60.12 2ity h ARG 841 Cb 0.26 0.00 -0.12 0.00 1.11 0.00 0.00 29.97 31.22 2ity h ARG 841 CO -0.06 0.09 0.21 0.09 0.10 0.00 0.00 179.97 180.39 2ity n ASN 842 N -3.22 4.30 -4.23 0.08 3.02 -0.56 -4.77 115.26 109.89 2ity n ASN 842 Ca 0.01 -3.30 -0.30 0.00 -0.03 0.00 0.00 54.58 50.95 2ity n ASN 842 Cb 0.36 -0.71 -0.16 0.00 -0.61 0.00 0.00 39.78 38.66 2ity n ASN 842 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2ity s VAL 843 N -3.03 1.93 0.21 2.41 1.01 -0.93 -1.10 120.40 120.90 2ity s VAL 843 Ca 0.52 -0.99 0.09 0.00 0.00 0.00 0.00 61.98 61.60 2ity s VAL 843 Cb 0.42 -1.64 -0.04 0.00 0.00 0.00 0.00 36.38 35.12 2ity s VAL 843 CO 0.11 0.54 -0.07 -0.76 0.00 0.00 0.00 175.10 174.91 2ity s LEU 844 N -0.05 3.03 -0.39 3.92 1.43 0.16 -0.54 118.68 126.24 2ity s LEU 844 Ca -0.06 -0.62 -0.09 0.00 -1.03 0.00 0.00 54.13 52.33 2ity s LEU 844 Cb -0.14 -1.65 0.06 0.00 0.03 0.00 0.00 46.19 44.49 2ity s LEU 844 CO 0.04 0.07 0.20 -0.69 0.23 0.00 0.00 176.35 176.20 2ity s VAL 845 N -1.95 4.16 -0.06 -1.59 1.01 -0.44 -0.51 120.40 121.03 2ity s VAL 845 Ca 0.27 -1.22 -0.25 0.00 0.00 0.00 0.00 61.98 60.78 2ity s VAL 845 Cb -0.08 -3.45 -0.24 0.00 0.00 0.00 0.00 36.38 32.61 2ity s VAL 845 CO 0.17 -0.36 1.01 0.50 0.00 0.00 0.00 175.10 176.41 2ity h LYS 846 N 8.35 0.16 -4.47 2.72 3.64 -1.32 -2.96 116.57 122.70 2ity h LYS 846 Ca -0.23 -0.18 -0.21 0.00 -1.27 0.00 0.00 60.65 58.76 2ity h LYS 846 Cb 1.09 0.05 -0.15 0.00 -0.41 0.00 0.00 32.23 32.81 2ity h LYS 846 CO 0.69 0.93 -0.60 0.95 -2.27 0.00 0.00 179.45 179.16 2ity s THR 847 N -3.05 0.04 0.56 1.00 -4.23 -1.17 -4.38 115.64 104.42 2ity s THR 847 Ca -0.16 -1.92 0.29 0.00 -1.18 0.00 0.00 61.69 58.72 2ity s THR 847 Cb 0.01 -2.29 0.41 0.00 1.34 0.00 0.00 72.50 71.97 2ity s THR 847 CO 0.74 -0.19 1.93 -0.65 -0.54 0.00 0.00 174.62 175.91 2ity h PRO 848 N 2.70 0.00 -0.10 3.99 0.11 -1.96 0.58 132.00 137.32 2ity h PRO 848 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 2ity h PRO 848 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2ity h PRO 848 CO 0.55 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.34 2ity n GLN 849 N -4.02 1.70 -3.51 1.05 0.00 -1.26 -4.75 117.38 106.58 2ity n GLN 849 Ca 0.11 -1.03 -0.29 0.00 0.00 0.00 0.00 57.00 55.79 2ity n GLN 849 Cb 0.70 -1.43 -0.14 0.00 0.00 0.00 0.00 30.24 29.37 2ity n GLN 849 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.06 175.48 2ity s HIS 850 N -1.88 0.41 0.44 2.61 5.04 0.20 -5.00 115.29 117.12 2ity s HIS 850 Ca 0.35 -1.07 0.02 0.00 -1.54 0.00 0.00 55.06 52.81 2ity s HIS 850 Cb 0.19 -0.89 -0.00 0.00 0.04 0.00 0.00 32.58 31.92 2ity s HIS 850 CO 0.29 -0.83 0.65 0.14 -2.34 0.00 0.00 174.74 172.65 2ity s VAL 851 N 1.82 3.86 -0.14 0.89 -7.23 -1.26 -0.90 120.40 117.43 2ity s VAL 851 Ca 0.12 -0.60 -0.11 0.00 -1.81 0.00 0.00 61.98 59.58 2ity s VAL 851 Cb -0.18 -3.41 0.05 0.00 0.56 0.00 0.00 36.38 33.40 2ity s VAL 851 CO -0.26 -0.26 0.37 -0.54 -0.31 0.00 0.00 175.10 174.09 2ity s LYS 852 N -4.51 0.39 1.07 4.82 1.02 0.34 -4.73 119.74 118.14 2ity s LYS 852 Ca 0.49 0.61 -0.12 0.00 0.02 0.00 0.00 55.97 56.96 2ity s LYS 852 Cb -0.10 0.09 0.23 0.00 -0.52 0.00 0.00 37.83 37.53 2ity s LYS 852 CO 0.37 -0.10 1.06 0.42 -0.92 0.00 0.00 175.35 176.18 2ity s ILE 853 N 0.75 2.08 0.02 2.17 1.01 0.75 0.37 121.20 128.36 2ity s ILE 853 Ca -0.05 0.03 -0.02 0.00 0.00 0.00 0.00 60.65 60.61 2ity s ILE 853 Cb -0.06 -2.29 0.01 0.00 0.01 0.00 0.00 42.46 40.13 2ity s ILE 853 CO -0.05 -0.04 0.09 1.07 0.00 0.00 0.00 174.94 176.01 2ity n THR 854 N -4.54 0.00 -2.87 2.92 5.66 -0.25 -1.82 114.28 113.39 2ity n THR 854 Ca 0.04 -0.07 -0.01 0.00 -3.05 0.00 0.00 64.05 60.96 2ity n THR 854 Cb 0.55 0.08 -0.01 0.00 -1.55 0.00 0.00 70.33 69.40 2ity n THR 854 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 2ity n ASP 855 N -0.75 -5.76 -0.59 1.09 8.00 -1.26 -4.84 116.55 112.43 2ity n ASP 855 Ca -0.00 1.09 0.05 0.00 0.71 0.00 0.00 54.79 56.64 2ity n ASP 855 Cb 0.06 -3.79 0.14 0.00 -0.02 0.00 0.00 41.12 37.50 2ity n ASP 855 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2ity n PHE 856 N 1.40 0.43 0.00 1.24 3.72 -1.26 -4.66 117.46 118.33 2ity n PHE 856 Ca -0.10 -0.50 0.00 0.00 -0.05 0.00 0.00 57.45 56.80 2ity n PHE 856 Cb 0.28 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 38.80 2ity n PHE 856 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2ity n GLY 857 N 0.44 -0.06 0.00 1.37 0.00 -1.26 -0.09 105.19 105.59 2ity n GLY 857 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2ity n GLY 857 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2ity n LEU 858 N -0.85 0.07 -4.40 0.99 4.77 -1.26 -4.93 117.00 111.39 2ity n LEU 858 Ca 0.00 -0.24 -0.41 0.00 -0.03 0.00 0.00 56.01 55.33 2ity n LEU 858 Cb 0.08 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.19 2ity n LEU 858 CO 0.00 0.02 -0.11 0.00 -1.33 0.00 0.00 177.39 175.97 2ity n ALA 859 N -0.33 -1.88 -3.44 -1.18 0.00 0.87 -4.63 120.51 109.91 2ity n ALA 859 Ca 0.00 0.09 -0.14 0.00 0.00 0.00 0.00 53.44 53.39 2ity n ALA 859 Cb 0.03 -1.69 -0.04 0.00 0.00 0.00 0.00 19.45 17.75 2ity n ALA 859 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2ity s LYS 860 N -1.50 1.19 0.23 0.00 1.02 -0.27 -4.99 119.74 115.42 2ity s LYS 860 Ca 0.63 -0.22 -0.30 0.00 0.02 0.00 0.00 55.97 56.10 2ity s LYS 860 Cb -0.57 0.55 -0.09 0.00 -0.52 0.00 0.00 37.83 37.21 2ity s LYS 860 CO 0.59 -0.47 1.15 -0.51 -0.92 0.00 0.00 175.35 175.19 2ity s LEU 861 N -2.20 4.50 0.17 3.17 1.43 -1.26 0.65 118.68 125.14 2ity s LEU 861 Ca -0.03 2.25 -0.31 0.00 -1.03 0.00 0.00 54.13 55.02 2ity s LEU 861 Cb -0.01 -3.62 -0.09 0.00 0.03 0.00 0.00 46.19 42.51 2ity s LEU 861 CO -0.05 -0.27 1.38 -0.22 0.23 0.00 0.00 176.35 177.43 2ity s LEU 862 N -0.83 4.39 0.00 1.79 2.96 -0.93 -1.82 118.68 124.24 2ity s LEU 862 Ca 0.49 2.43 0.00 0.00 -0.22 0.00 0.00 54.13 56.83 2ity s LEU 862 Cb -0.32 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 42.77 2ity s LEU 862 CO 0.39 -0.63 0.00 0.61 -1.32 0.00 0.00 176.35 175.40 2ity n GLY 863 N 2.90 3.14 3.61 7.98 0.00 -1.26 -5.09 105.19 116.48 2ity n GLY 863 Ca 0.09 -0.91 -0.29 0.00 0.00 0.00 0.00 46.02 44.91 2ity n GLY 863 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ity s ALA 864 N -0.16 0.59 -0.03 4.61 0.00 -0.75 -5.18 121.76 120.83 2ity s ALA 864 Ca 0.00 -0.08 0.01 0.00 0.00 0.00 0.00 51.96 51.89 2ity s ALA 864 Cb 0.00 -3.23 0.01 0.00 0.00 0.00 0.00 23.12 19.91 2ity s ALA 864 CO 0.00 -3.11 -0.05 -2.00 0.00 0.00 0.00 175.76 170.60 2ity s GLU 865 N -4.72 0.73 -0.30 0.00 2.56 -1.26 -4.99 118.70 110.72 2ity s GLU 865 Ca 0.66 -0.15 -0.06 0.00 0.00 0.00 0.00 54.97 55.43 2ity s GLU 865 Cb -0.21 -0.73 0.18 0.00 2.00 0.00 0.00 34.13 35.37 2ity s GLU 865 CO 0.60 -0.01 0.78 0.08 -0.56 0.00 0.00 175.26 176.15 2ity s VAL 876 N 0.57 -0.73 -0.72 3.70 1.01 -1.26 -5.17 120.40 117.80 2ity s VAL 876 Ca -0.07 0.00 -0.22 0.00 0.00 0.00 0.00 61.98 61.68 2ity s VAL 876 Cb -0.11 -0.99 0.08 0.00 0.00 0.00 0.00 36.38 35.36 2ity s VAL 876 CO 0.00 0.00 1.02 -2.16 0.00 0.00 0.00 175.10 173.96 2ity s PRO 877 N 2.90 3.21 0.07 2.72 0.04 -1.26 -4.88 135.00 137.80 2ity s PRO 877 Ca 0.12 -0.97 -0.17 0.00 0.04 0.00 0.00 61.00 60.02 2ity s PRO 877 Cb -0.13 -4.38 -0.11 0.00 0.04 0.00 0.00 34.50 29.92 2ity s PRO 877 CO -0.17 -1.84 1.40 0.82 0.04 0.00 0.00 177.00 177.24 2ity h ILE 878 N 5.99 1.32 0.00 0.56 1.08 -1.96 -3.13 117.51 121.37 2ity h ILE 878 Ca -0.20 -1.36 0.00 0.00 -0.39 0.00 0.00 64.86 62.91 2ity h ILE 878 Cb 1.06 1.69 0.00 0.00 -3.07 0.00 0.00 36.82 36.50 2ity h ILE 878 CO 1.18 0.42 0.00 0.11 -0.69 0.00 0.00 178.15 179.18 2ity h LYS 879 N 0.25 0.00 -0.28 2.37 1.57 -1.96 -0.93 116.57 117.58 2ity h LYS 879 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2ity h LYS 879 Cb 0.76 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.07 2ity h LYS 879 CO 0.05 0.00 0.00 0.91 -0.57 0.00 0.00 179.45 179.84 2ity n TRP 880 N -2.81 0.35 -3.77 -1.35 8.01 -1.18 -4.98 117.44 111.71 2ity n TRP 880 Ca 0.00 -0.18 -0.35 0.00 -1.31 0.00 0.00 57.50 55.66 2ity n TRP 880 Cb 0.24 -0.00 -0.08 0.00 -2.01 0.00 0.00 31.31 29.46 2ity n TRP 880 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.69 175.04 2ity s MET 881 N -1.61 4.09 0.75 -0.99 -1.94 -0.36 -3.78 119.30 115.46 2ity s MET 881 Ca 0.35 -0.22 -0.15 0.00 -1.71 0.00 0.00 55.69 53.96 2ity s MET 881 Cb 0.22 -3.38 0.01 0.00 2.01 0.00 0.00 34.83 33.69 2ity s MET 881 CO 0.31 0.35 0.84 0.00 -0.01 0.00 0.00 175.02 176.51 2ity n ALA 882 N 3.35 -0.72 -0.09 3.03 0.00 -1.26 -4.76 120.51 120.06 2ity n ALA 882 Ca -0.16 -0.25 -0.10 0.00 0.00 0.00 0.00 53.44 52.92 2ity n ALA 882 Cb 0.52 -2.04 -0.03 0.00 0.00 0.00 0.00 19.45 17.90 2ity n ALA 882 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2ity h LEU 883 N -0.46 0.40 -1.45 0.00 5.85 -1.95 -1.15 115.31 116.53 2ity h LEU 883 Ca -0.46 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.05 2ity h LEU 883 Cb 1.33 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.26 2ity h LEU 883 CO 0.45 0.50 0.00 -0.33 -0.34 0.00 0.00 178.44 178.71 2ity h GLU 884 N 0.27 0.00 0.00 1.25 3.07 -1.90 0.70 114.58 117.98 2ity h GLU 884 Ca 0.09 0.00 -0.24 0.00 -0.50 0.00 0.00 59.36 58.71 2ity h GLU 884 Cb 0.25 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.12 2ity h GLU 884 CO -0.00 0.00 -1.27 0.77 -1.40 0.00 0.00 179.01 177.11 2ity h SER 885 N 0.00 0.01 0.81 1.42 0.02 -1.13 -1.22 113.55 113.45 2ity h SER 885 Ca 0.00 -0.02 -0.24 0.00 -0.84 0.00 0.00 61.79 60.69 2ity h SER 885 Cb 0.18 -0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.70 2ity h SER 885 CO 0.00 1.01 -1.16 0.40 -1.14 0.00 0.00 176.83 175.95 2ity h ILE 886 N 0.00 1.56 0.08 3.27 2.04 0.86 -2.74 117.51 122.58 2ity h ILE 886 Ca -0.11 -3.22 -0.36 0.00 1.00 0.00 0.00 64.86 62.17 2ity h ILE 886 Cb 1.86 2.86 -0.03 0.00 -0.74 0.00 0.00 36.82 40.77 2ity h ILE 886 CO 0.11 0.92 -2.02 0.18 0.00 0.00 0.00 178.15 177.34 2ity n LEU 887 N -3.41 2.57 -2.41 1.44 4.77 -0.43 -4.58 117.00 114.95 2ity n LEU 887 Ca -0.05 0.18 -0.10 0.00 -0.03 0.00 0.00 56.01 56.00 2ity n LEU 887 Cb 0.98 -1.05 0.04 0.00 -2.33 0.00 0.00 43.42 41.07 2ity n LEU 887 CO 0.50 0.78 0.08 1.41 -1.33 0.00 0.00 177.39 178.83 2ity n HIS 888 N -3.61 1.86 -1.79 -1.77 8.25 -0.95 -4.97 115.22 112.24 2ity n HIS 888 Ca -0.36 -2.13 -0.06 0.00 -0.26 0.00 0.00 57.72 54.91 2ity n HIS 888 Cb 0.98 -0.28 -0.01 0.00 1.12 0.00 0.00 29.99 31.80 2ity n HIS 888 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2ity n ARG 889 N -0.63 -1.05 -2.95 -0.41 1.74 -1.03 -4.83 116.66 107.49 2ity n ARG 889 Ca 0.23 0.02 -0.38 0.00 -0.77 0.00 0.00 57.85 56.95 2ity n ARG 889 Cb 0.88 -0.87 -0.06 0.00 -1.02 0.00 0.00 32.46 31.38 2ity n ARG 889 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2ity s ILE 890 N -1.17 4.35 -0.15 0.55 1.01 -0.50 -4.93 121.20 120.35 2ity s ILE 890 Ca 0.12 1.68 -0.04 0.00 0.00 0.00 0.00 60.65 62.41 2ity s ILE 890 Cb -0.07 -4.09 0.07 0.00 0.01 0.00 0.00 42.46 38.38 2ity s ILE 890 CO 0.15 0.41 0.15 -0.31 0.00 0.00 0.00 174.94 175.33 2ity s TYR 891 N -1.29 -0.06 0.37 3.97 2.02 -1.26 -3.01 117.35 118.09 2ity s TYR 891 Ca 0.40 0.12 0.02 0.00 -0.37 0.00 0.00 57.07 57.24 2ity s TYR 891 Cb -0.22 -0.47 -0.01 0.00 -0.40 0.00 0.00 41.96 40.87 2ity s TYR 891 CO 0.25 -0.46 0.08 -2.37 -1.57 0.00 0.00 175.55 171.49 2ity n THR 892 N 5.30 0.00 -0.36 -0.71 5.66 -1.26 -4.85 114.28 118.06 2ity n THR 892 Ca -0.06 -1.98 0.03 0.00 -3.05 0.00 0.00 64.05 59.00 2ity n THR 892 Cb 0.49 0.60 0.18 0.00 -1.55 0.00 0.00 70.33 70.06 2ity n THR 892 CO 0.00 0.00 0.00 0.45 -3.05 0.00 0.00 175.07 172.47 2ity h HIS 893 N 1.44 1.16 0.00 1.09 3.86 -1.99 -0.33 115.15 120.38 2ity h HIS 893 Ca -0.29 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 58.92 2ity h HIS 893 Cb 1.02 -0.38 -0.00 0.00 1.06 0.00 0.00 27.41 29.11 2ity h HIS 893 CO 0.00 0.57 -0.12 1.96 0.86 0.00 0.00 177.93 181.21 2ity h GLN 894 N 1.11 0.00 0.00 2.45 1.08 -1.92 0.17 115.11 118.00 2ity h GLN 894 Ca 0.44 0.00 -0.10 0.00 -1.45 0.00 0.00 58.65 57.54 2ity h GLN 894 Cb 0.23 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.64 2ity h GLN 894 CO -0.19 0.12 -0.46 0.66 -0.95 0.00 0.00 178.83 178.01 2ity h SER 895 N 0.00 0.00 -0.16 1.46 4.64 -1.44 -3.08 113.55 114.97 2ity h SER 895 Ca -0.00 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.17 2ity h SER 895 Cb 0.34 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.42 2ity h SER 895 CO 0.01 0.46 -0.44 0.44 -0.87 0.00 0.00 176.83 176.43 2ity h ASP 896 N 0.00 0.77 -0.98 4.97 3.45 0.09 -2.87 116.42 121.86 2ity h ASP 896 Ca -0.00 -0.37 0.08 0.00 0.43 0.00 0.00 57.03 57.16 2ity h ASP 896 Cb 1.03 -0.22 -0.07 0.00 -0.56 0.00 0.00 39.33 39.52 2ity h ASP 896 CO 0.06 1.10 0.63 0.58 -1.57 0.00 0.00 179.24 180.04 2ity h VAL 897 N 0.58 1.05 -0.72 -1.35 2.07 -1.04 0.18 116.25 117.02 2ity h VAL 897 Ca 0.04 -0.38 -0.02 0.00 0.82 0.00 0.00 66.70 67.16 2ity h VAL 897 Cb 0.99 -0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 2ity h VAL 897 CO 0.09 0.20 0.36 -0.25 0.02 0.00 0.00 177.57 178.00 2ity h TRP 898 N 1.10 1.02 -0.06 1.57 2.91 -1.42 0.10 115.95 121.17 2ity h TRP 898 Ca 0.43 -0.04 -0.10 0.00 1.13 0.00 0.00 58.89 60.31 2ity h TRP 898 Cb 0.23 -0.32 -0.01 0.00 -0.51 0.00 0.00 29.16 28.55 2ity h TRP 898 CO -0.00 0.75 -0.41 0.77 -1.03 0.00 0.00 178.44 178.51 2ity h SER 899 N 1.00 0.13 -0.25 2.65 0.02 -0.90 -1.68 113.55 114.53 2ity h SER 899 Ca 0.25 -0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 61.14 2ity h SER 899 Cb 0.09 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.59 2ity h SER 899 CO -0.03 0.53 0.13 0.22 -1.14 0.00 0.00 176.83 176.54 2ity h TYR 900 N 0.10 0.35 -0.18 3.45 5.03 0.13 0.13 116.97 125.98 2ity h TYR 900 Ca 0.01 -0.01 0.05 0.00 2.58 0.00 0.00 58.73 61.36 2ity h TYR 900 Cb 0.77 -0.11 -0.06 0.00 1.55 0.00 0.00 36.73 38.89 2ity h TYR 900 CO 0.01 0.31 -0.19 0.78 -1.32 0.00 0.00 178.16 177.75 2ity h GLY 901 N 0.28 -0.10 0.78 1.82 0.00 -0.30 0.39 103.07 105.94 2ity h GLY 901 Ca 0.09 0.23 0.05 0.00 0.00 0.00 0.00 47.33 47.70 2ity h GLY 901 CO -0.01 -0.17 0.50 -2.08 0.00 0.00 0.00 176.54 174.78 2ity h VAL 902 N -0.21 1.07 -0.43 4.60 2.07 -0.87 0.16 116.25 122.63 2ity h VAL 902 Ca 0.12 -0.32 -0.03 0.00 0.82 0.00 0.00 66.70 67.28 2ity h VAL 902 Cb 0.38 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.17 2ity h VAL 902 CO -0.31 0.17 0.14 0.74 0.02 0.00 0.00 177.57 178.34 2ity h THR 903 N 0.94 1.22 -0.65 2.57 2.02 0.45 0.19 112.91 119.65 2ity h THR 903 Ca 0.34 -0.71 -0.01 0.00 0.77 0.00 0.00 66.41 66.80 2ity h THR 903 Cb 0.11 0.86 -0.03 0.00 -1.74 0.00 0.00 68.15 67.35 2ity h THR 903 CO -0.15 0.25 0.36 0.58 0.37 0.00 0.00 175.52 176.93 2ity h VAL 904 N 0.56 1.20 -0.38 3.16 2.07 0.47 -1.39 116.25 121.94 2ity h VAL 904 Ca 0.14 -0.49 -0.12 0.00 0.82 0.00 0.00 66.70 67.05 2ity h VAL 904 Cb 0.25 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 2ity h VAL 904 CO -0.01 0.22 -0.23 -0.25 0.02 0.00 0.00 177.57 177.32 2ity h TRP 905 N 0.91 0.97 -0.80 1.57 7.01 0.05 -1.14 115.95 124.51 2ity h TRP 905 Ca 0.23 -0.25 0.19 0.00 2.11 0.00 0.00 58.89 61.17 2ity h TRP 905 Cb 0.02 -0.22 -0.13 0.00 -2.10 0.00 0.00 29.16 26.74 2ity h TRP 905 CO 0.01 1.02 0.16 0.93 -2.79 0.00 0.00 178.44 177.77 2ity h GLU 906 N 0.63 0.21 0.03 2.65 5.08 0.35 -2.34 114.58 121.20 2ity h GLU 906 Ca 0.08 -0.01 -0.26 0.00 -1.00 0.00 0.00 59.36 58.16 2ity h GLU 906 Cb 0.79 -0.05 0.02 0.00 0.50 0.00 0.00 28.75 30.01 2ity h GLU 906 CO 0.06 0.14 -1.07 -0.07 -1.00 0.00 0.00 179.01 177.07 2ity h LEU 907 N 0.21 0.79 -2.57 1.33 3.38 -0.45 -1.23 115.31 116.77 2ity h LEU 907 Ca 0.47 -0.66 0.00 0.00 0.09 0.00 0.00 57.88 57.78 2ity h LEU 907 Cb 0.86 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.37 2ity h LEU 907 CO -0.60 1.46 0.00 0.24 0.09 0.00 0.00 178.44 179.63 2ity h MET 908 N 0.31 0.00 -0.48 1.13 2.86 -1.00 -0.52 114.93 117.23 2ity h MET 908 Ca -0.13 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.51 2ity h MET 908 Cb 1.73 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.39 2ity h MET 908 CO 0.20 0.00 0.00 0.25 1.06 0.00 0.00 176.91 178.42 2ity n THR 909 N -3.07 2.55 -2.21 2.22 -2.24 -0.90 -4.66 114.28 105.97 2ity n THR 909 Ca -0.02 -1.55 -0.07 0.00 -2.27 0.00 0.00 64.05 60.15 2ity n THR 909 Cb 0.13 -0.24 -0.01 0.00 -2.10 0.00 0.00 70.33 68.12 2ity n THR 909 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 2ity n PHE 910 N 0.29 -1.48 0.00 4.78 3.72 -0.20 -2.92 117.46 121.65 2ity n PHE 910 Ca 0.26 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.66 2ity n PHE 910 Cb 1.08 -1.93 0.00 0.00 -0.94 0.00 0.00 39.48 37.69 2ity n PHE 910 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2ity n GLY 911 N -0.56 1.53 3.15 1.37 0.00 -0.48 -3.31 105.19 106.90 2ity n GLY 911 Ca -0.08 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.69 2ity n GLY 911 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2ity n SER 912 N 0.00 -3.68 -4.29 1.61 7.64 -1.15 -4.95 113.62 108.80 2ity n SER 912 Ca 0.00 -0.68 -0.33 0.00 1.01 0.00 0.00 58.87 58.87 2ity n SER 912 Cb 0.00 -0.93 -0.15 0.00 -1.01 0.00 0.00 64.21 62.13 2ity n SER 912 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2ity s LYS 913 N -4.46 3.28 0.70 1.43 1.02 -1.26 -4.88 119.74 115.57 2ity s LYS 913 Ca 0.56 -0.71 -0.16 0.00 0.02 0.00 0.00 55.97 55.68 2ity s LYS 913 Cb -0.10 -2.70 0.02 0.00 -0.52 0.00 0.00 37.83 34.54 2ity s LYS 913 CO 0.48 0.02 1.20 -1.25 -0.92 0.00 0.00 175.35 174.87 2ity s PRO 914 N 0.84 2.32 -0.46 -1.68 0.04 -1.26 -0.82 135.00 133.98 2ity s PRO 914 Ca -0.04 1.74 -0.06 0.00 0.04 0.00 0.00 61.00 62.68 2ity s PRO 914 Cb -0.15 -1.86 0.01 0.00 0.04 0.00 0.00 34.50 32.54 2ity s PRO 914 CO -0.00 -1.70 0.12 0.66 0.04 0.00 0.00 177.00 176.13 2ity n TYR 915 N -2.53 -0.44 -1.70 0.56 4.01 -1.26 -4.74 117.16 111.07 2ity n TYR 915 Ca 0.13 0.10 -0.44 0.00 -0.16 0.00 0.00 57.90 57.53 2ity n TYR 915 Cb 0.50 -0.92 -0.03 0.00 -0.31 0.00 0.00 39.34 38.58 2ity n TYR 915 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 2ity n ASP 916 N -0.40 3.29 0.00 7.72 4.64 -0.00 -3.31 116.55 128.49 2ity n ASP 916 Ca -0.07 1.12 0.00 0.00 -1.38 0.00 0.00 54.79 54.46 2ity n ASP 916 Cb 0.21 -1.49 0.00 0.00 -1.04 0.00 0.00 41.12 38.80 2ity n ASP 916 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 2ity n GLY 917 N 2.70 0.75 1.25 0.27 0.00 -1.26 -5.03 105.19 103.88 2ity n GLY 917 Ca 0.13 -0.63 -0.23 0.00 0.00 0.00 0.00 46.02 45.29 2ity n GLY 917 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2ity n ILE 918 N 0.00 0.00 -2.76 -0.61 -0.00 -1.21 -4.84 119.36 109.94 2ity n ILE 918 Ca 0.00 0.00 -0.39 0.00 -0.00 0.00 0.00 62.75 62.36 2ity n ILE 918 Cb 0.00 -0.15 -0.06 0.00 -0.00 0.00 0.00 39.64 39.43 2ity n ILE 918 CO 0.00 0.00 0.00 -2.16 -0.00 0.00 0.00 176.55 174.39 2ity s PRO 919 N 0.92 4.78 0.39 0.38 0.04 -1.26 -4.94 135.00 135.30 2ity s PRO 919 Ca 0.35 1.44 0.24 0.00 0.04 0.00 0.00 61.00 63.08 2ity s PRO 919 Cb -0.50 -3.16 1.39 0.00 0.04 0.00 0.00 34.50 32.27 2ity s PRO 919 CO 0.27 0.46 1.57 0.00 0.04 0.00 0.00 177.00 179.34 2ity n ALA 920 N 1.26 1.13 0.25 8.56 0.00 -1.26 -1.00 120.51 129.44 2ity n ALA 920 Ca -0.01 0.97 0.11 0.00 0.00 0.00 0.00 53.44 54.52 2ity n ALA 920 Cb 0.48 -1.03 0.65 0.00 0.00 0.00 0.00 19.45 19.55 2ity n ALA 920 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2ity h SER 921 N 0.00 0.00 0.76 0.00 0.02 -2.02 -2.77 113.55 109.55 2ity h SER 921 Ca 0.86 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 61.60 2ity h SER 921 Cb 2.42 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 64.94 2ity h SER 921 CO -0.68 0.16 -0.97 -0.33 -1.14 0.00 0.00 176.83 173.87 2ity h GLU 922 N 0.00 0.11 -0.86 3.45 5.08 -1.45 -3.39 114.58 117.52 2ity h GLU 922 Ca -0.00 -0.15 0.10 0.00 -1.00 0.00 0.00 59.36 58.31 2ity h GLU 922 Cb 0.42 0.05 -0.13 0.00 0.50 0.00 0.00 28.75 29.60 2ity h GLU 922 CO 0.02 0.99 -0.50 0.82 -1.00 0.00 0.00 179.01 179.34 2ity h ILE 923 N 0.05 0.02 -1.33 3.13 1.08 -1.61 0.29 117.51 119.13 2ity h ILE 923 Ca -0.04 0.00 0.39 0.00 -0.39 0.00 0.00 64.86 64.82 2ity h ILE 923 Cb 1.66 0.02 -0.07 0.00 -3.07 0.00 0.00 36.82 35.35 2ity h ILE 923 CO 0.14 0.00 0.93 0.77 -0.69 0.00 0.00 178.15 179.30 2ity h SER 924 N -0.08 0.12 0.00 1.72 4.64 -1.78 0.35 113.55 118.51 2ity h SER 924 Ca 0.21 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 2ity h SER 924 Cb 0.51 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 2ity h SER 924 CO -0.87 -0.01 -0.21 -1.28 -0.87 0.00 0.00 176.83 173.59 2ity h SER 925 N 0.08 0.00 -0.62 4.97 0.87 -0.73 -2.86 113.55 115.27 2ity h SER 925 Ca 0.68 0.00 0.11 0.00 -1.23 0.00 0.00 61.79 61.35 2ity h SER 925 Cb 2.47 0.00 -0.11 0.00 -0.44 0.00 0.00 62.40 64.32 2ity h SER 925 CO -0.12 0.57 -0.19 -0.38 -0.53 0.00 0.00 176.83 176.18 2ity n ILE 926 N -4.52 -0.29 -0.09 2.23 5.41 -0.79 -0.21 119.36 121.11 2ity n ILE 926 Ca -0.03 1.43 -0.15 0.00 1.00 0.00 0.00 62.75 65.00 2ity n ILE 926 Cb 0.11 -1.94 -0.04 0.00 -0.71 0.00 0.00 39.64 37.05 2ity n ILE 926 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 2ity h LEU 927 N 0.00 0.99 -1.50 1.39 3.38 -1.06 -2.35 115.31 116.17 2ity h LEU 927 Ca 0.26 -0.52 -0.02 0.00 0.09 0.00 0.00 57.88 57.69 2ity h LEU 927 Cb 0.42 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 2ity h LEU 927 CO -0.63 1.33 0.08 -0.08 0.09 0.00 0.00 178.44 179.23 2ity h GLU 928 N 0.69 0.41 -0.01 1.13 4.81 -0.35 -0.66 114.58 120.60 2ity h GLU 928 Ca 0.02 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.16 2ity h GLU 928 Cb 1.13 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 30.43 2ity h GLU 928 CO 0.12 0.38 -0.15 0.87 -0.73 0.00 0.00 179.01 179.50 2ity h LYS 929 N 0.41 0.01 0.00 1.92 1.57 -0.07 -3.46 116.57 116.95 2ity h LYS 929 Ca 0.10 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 2ity h LYS 929 Cb 0.15 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.45 2ity h LYS 929 CO -0.01 0.16 0.00 0.41 -0.57 0.00 0.00 179.45 179.44 2ity n GLY 930 N -1.10 1.19 3.78 3.86 0.00 -0.26 -5.10 105.19 107.57 2ity n GLY 930 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 2ity n GLY 930 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ity s GLU 931 N -0.28 3.48 0.29 1.61 2.12 -1.14 -5.03 118.70 119.75 2ity s GLU 931 Ca 0.00 1.53 0.05 0.00 0.36 0.00 0.00 54.97 56.91 2ity s GLU 931 Cb 0.00 -2.03 -0.02 0.00 0.26 0.00 0.00 34.13 32.34 2ity s GLU 931 CO 0.00 -0.73 0.29 0.54 -0.54 0.00 0.00 175.26 174.82 2ity n ARG 932 N -1.22 0.41 -2.12 4.30 5.12 -1.26 -4.50 116.66 117.40 2ity n ARG 932 Ca 0.11 -2.79 -0.38 0.00 -1.93 0.00 0.00 57.85 52.86 2ity n ARG 932 Cb 0.51 2.37 0.00 0.00 -1.16 0.00 0.00 32.46 34.18 2ity n ARG 932 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2ity s LEU 933 N 0.00 4.02 0.50 0.55 1.43 -1.26 -4.99 118.68 118.93 2ity s LEU 933 Ca 0.33 2.47 -0.20 0.00 -1.03 0.00 0.00 54.13 55.70 2ity s LEU 933 Cb 0.01 -4.18 -0.08 0.00 0.03 0.00 0.00 46.19 41.97 2ity s LEU 933 CO 0.23 -1.04 1.04 -2.16 0.23 0.00 0.00 176.35 174.66 2ity s PRO 934 N -2.64 3.73 -0.12 1.29 0.04 -1.26 -4.97 135.00 131.07 2ity s PRO 934 Ca 0.64 1.35 -0.36 0.00 0.04 0.00 0.00 61.00 62.67 2ity s PRO 934 Cb -0.33 -2.08 -0.13 0.00 0.04 0.00 0.00 34.50 32.00 2ity s PRO 934 CO 0.40 -0.49 1.83 0.94 0.04 0.00 0.00 177.00 179.73 2ity n GLN 935 N -1.10 1.93 -2.41 4.56 7.27 -1.26 -4.97 117.38 121.40 2ity n GLN 935 Ca 0.09 0.71 -0.35 0.00 0.07 0.00 0.00 57.00 57.52 2ity n GLN 935 Cb 0.52 -2.51 -0.02 0.00 2.41 0.00 0.00 30.24 30.64 2ity n GLN 935 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 2ity s PRO 936 N 3.80 3.74 0.13 3.69 0.05 -1.26 -4.95 135.00 140.19 2ity s PRO 936 Ca 0.93 1.53 -0.28 0.00 0.05 0.00 0.00 61.00 63.24 2ity s PRO 936 Cb -0.78 -2.21 -0.08 0.00 0.05 0.00 0.00 34.50 31.48 2ity s PRO 936 CO 0.54 -0.51 1.47 -1.35 0.05 0.00 0.00 177.00 177.20 2ity h PRO 937 N 1.72 -0.15 0.00 0.56 0.11 -1.93 0.61 132.00 132.92 2ity h PRO 937 Ca -0.49 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2ity h PRO 937 Cb 1.24 0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2ity h PRO 937 CO 0.59 -0.10 0.02 0.44 -0.21 0.00 0.00 178.00 178.74 2ity n ILE 938 N -4.97 1.41 -2.85 4.15 -5.35 -1.26 -4.72 119.36 105.77 2ity n ILE 938 Ca -0.00 0.37 -0.42 0.00 -0.27 0.00 0.00 62.75 62.43 2ity n ILE 938 Cb 0.26 -1.37 -0.04 0.00 -1.74 0.00 0.00 39.64 36.74 2ity n ILE 938 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2ity s THR 940 N 2.91 2.39 0.32 0.00 -4.23 -1.15 -4.84 115.64 111.03 2ity s THR 940 Ca 0.37 0.13 0.01 0.00 -1.18 0.00 0.00 61.69 61.02 2ity s THR 940 Cb -0.15 -2.29 0.18 0.00 1.34 0.00 0.00 72.50 71.58 2ity s THR 940 CO 0.07 -0.16 1.89 -0.29 -0.54 0.00 0.00 174.62 175.59 2ity h ILE 941 N -1.61 1.20 -0.97 2.99 2.10 -1.96 -2.30 117.51 116.95 2ity h ILE 941 Ca -0.43 -0.67 0.14 0.00 1.08 0.00 0.00 64.86 64.98 2ity h ILE 941 Cb 1.26 0.65 -0.09 0.00 -1.09 0.00 0.00 36.82 37.55 2ity h ILE 941 CO 0.44 0.25 0.59 0.44 -1.08 0.00 0.00 178.15 178.79 2ity h ASP 942 N 0.71 0.82 0.01 2.19 5.19 -1.92 0.57 116.42 123.98 2ity h ASP 942 Ca 0.17 0.07 -0.02 0.00 -0.62 0.00 0.00 57.03 56.63 2ity h ASP 942 Cb 0.21 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 39.63 2ity h ASP 942 CO -0.01 0.39 -0.06 0.58 -3.12 0.00 0.00 179.24 177.01 2ity h VAL 943 N 0.86 1.68 -0.83 -1.35 2.07 -1.77 -2.97 116.25 113.94 2ity h VAL 943 Ca 0.51 -2.07 0.17 0.00 0.82 0.00 0.00 66.70 66.13 2ity h VAL 943 Cb 0.62 3.07 -0.06 0.00 -1.52 0.00 0.00 31.29 33.40 2ity h VAL 943 CO -0.31 0.54 0.55 0.22 0.02 0.00 0.00 177.57 178.59 2ity h TYR 944 N -0.81 0.53 -0.08 1.57 -0.00 -1.11 0.23 116.97 117.30 2ity h TYR 944 Ca -0.01 0.02 -0.05 0.00 -0.00 0.00 0.00 58.73 58.68 2ity h TYR 944 Cb 0.92 -0.17 -0.01 0.00 -0.00 0.00 0.00 36.73 37.48 2ity h TYR 944 CO 0.23 0.18 -0.20 1.98 -0.00 0.00 0.00 178.16 180.34 2ity h MET 945 N 0.43 0.12 -0.04 1.82 4.05 -0.89 0.37 114.93 120.79 2ity h MET 945 Ca 0.42 -0.03 -0.03 0.00 -0.28 0.00 0.00 59.70 59.77 2ity h MET 945 Cb 0.98 -0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.76 2ity h MET 945 CO -0.15 0.33 -0.11 0.82 0.23 0.00 0.00 176.91 178.03 2ity h ILE 946 N 0.12 1.45 -0.79 1.77 2.04 -0.40 -0.63 117.51 121.07 2ity h ILE 946 Ca 0.02 -1.49 0.15 0.00 1.00 0.00 0.00 64.86 64.55 2ity h ILE 946 Cb 0.43 2.33 -0.10 0.00 -0.74 0.00 0.00 36.82 38.74 2ity h ILE 946 CO 0.03 0.41 0.33 0.24 0.00 0.00 0.00 178.15 179.16 2ity h MET 947 N -0.39 0.45 -0.28 2.37 2.86 -0.88 -0.37 114.93 118.69 2ity h MET 947 Ca -0.00 -0.03 -0.16 0.00 -2.06 0.00 0.00 59.70 57.45 2ity h MET 947 Cb 0.72 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.27 2ity h MET 947 CO 0.02 0.30 -0.48 0.28 1.06 0.00 0.00 176.91 178.09 2ity h VAL 948 N 0.46 1.29 -0.36 -2.22 2.07 -0.88 -1.41 116.25 115.20 2ity h VAL 948 Ca 0.44 -1.68 0.05 0.00 0.82 0.00 0.00 66.70 66.34 2ity h VAL 948 Cb 0.69 1.59 -0.02 0.00 -1.52 0.00 0.00 31.29 32.03 2ity h VAL 948 CO -0.42 0.54 0.25 0.11 0.02 0.00 0.00 177.57 178.07 2ity h LYS 949 N 0.59 0.26 0.00 1.57 1.57 0.45 0.34 116.57 121.35 2ity h LYS 949 Ca 0.03 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2ity h LYS 949 Cb 1.05 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.30 2ity h LYS 949 CO 0.10 0.17 0.00 0.00 -0.57 0.00 0.00 179.45 179.16 2ity n TRP 951 N -1.49 0.27 -2.11 0.00 8.01 0.12 -3.82 117.44 118.42 2ity n TRP 951 Ca 0.03 -1.03 -0.41 0.00 -1.31 0.00 0.00 57.50 54.78 2ity n TRP 951 Cb 0.15 -0.21 -0.03 0.00 -2.01 0.00 0.00 31.31 29.21 2ity n TRP 951 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.69 178.09 2ity s MET 952 N -2.91 4.33 0.20 -0.99 1.75 -1.15 -4.95 119.30 115.57 2ity s MET 952 Ca 0.35 2.19 -0.21 0.00 -1.25 0.00 0.00 55.69 56.77 2ity s MET 952 Cb 0.31 -3.13 0.14 0.00 2.84 0.00 0.00 34.83 34.98 2ity s MET 952 CO 0.03 -0.30 1.57 0.82 -0.65 0.00 0.00 175.02 176.49 2ity h ILE 953 N 3.50 0.08 -1.97 10.11 1.08 -1.94 -3.36 117.51 125.00 2ity h ILE 953 Ca -0.46 0.00 -0.54 0.00 -0.39 0.00 0.00 64.86 63.47 2ity h ILE 953 Cb 1.22 0.08 -0.08 0.00 -3.07 0.00 0.00 36.82 34.97 2ity h ILE 953 CO 0.75 0.00 1.18 -0.62 -0.69 0.00 0.00 178.15 178.77 2ity s ASP 954 N -5.26 6.10 0.33 1.72 -1.08 -1.26 -4.85 116.67 112.37 2ity s ASP 954 Ca -0.14 -0.60 0.11 0.00 -0.52 0.00 0.00 52.55 51.40 2ity s ASP 954 Cb 0.17 -2.56 0.91 0.00 -1.46 0.00 0.00 42.92 39.98 2ity s ASP 954 CO 0.69 -1.86 1.74 0.00 0.52 0.00 0.00 175.17 176.26 2ity h ALA 955 N 10.57 1.87 0.00 3.66 0.00 -1.96 0.77 119.26 134.17 2ity h ALA 955 Ca -0.15 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 2ity h ALA 955 Cb 1.05 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 2ity h ALA 955 CO 1.30 -0.31 -0.00 -0.44 0.00 0.00 0.00 179.25 179.80 2ity h ASP 956 N 0.57 0.00 0.55 0.00 3.45 -1.93 0.12 116.42 119.18 2ity h ASP 956 Ca 0.63 0.00 0.00 0.00 0.43 0.00 0.00 57.03 58.09 2ity h ASP 956 Cb 1.24 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.01 2ity h ASP 956 CO -0.42 0.00 -0.08 -1.20 -1.57 0.00 0.00 179.24 175.97 2ity n SER 957 N -3.29 0.22 -4.84 6.45 7.64 0.27 -4.86 113.62 115.21 2ity n SER 957 Ca -0.03 -0.21 -0.31 0.00 1.01 0.00 0.00 58.87 59.33 2ity n SER 957 Cb 0.09 -0.20 0.03 0.00 -1.01 0.00 0.00 64.21 63.12 2ity n SER 957 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2ity s ARG 958 N -2.63 3.26 0.73 1.43 3.00 0.40 -4.96 118.95 120.17 2ity s ARG 958 Ca 0.25 0.91 -0.15 0.00 0.00 0.00 0.00 55.73 56.75 2ity s ARG 958 Cb 0.20 -2.03 0.04 0.00 0.00 0.00 0.00 34.95 33.15 2ity s ARG 958 CO 0.50 -0.84 1.20 -2.14 0.00 0.00 0.00 175.30 174.01 2ity s PRO 959 N -4.93 2.16 0.29 3.54 0.02 -1.26 -5.01 135.00 129.81 2ity s PRO 959 Ca 0.58 1.72 -0.19 0.00 0.02 0.00 0.00 61.00 63.13 2ity s PRO 959 Cb -0.13 -1.84 -0.09 0.00 0.02 0.00 0.00 34.50 32.46 2ity s PRO 959 CO 0.51 -1.81 0.78 0.15 -0.33 0.00 0.00 177.00 176.30 2ity s LYS 960 N -3.96 4.20 0.34 5.54 -0.14 -1.26 -4.93 119.74 119.53 2ity s LYS 960 Ca 0.73 0.88 0.09 0.00 -1.36 0.00 0.00 55.97 56.32 2ity s LYS 960 Cb -0.28 -2.64 0.84 0.00 -1.68 0.00 0.00 37.83 34.07 2ity s LYS 960 CO 0.45 0.25 1.81 0.74 -0.76 0.00 0.00 175.35 177.84 2ity h PHE 961 N 2.82 0.91 0.00 3.18 0.04 -1.95 0.37 116.94 122.30 2ity h PHE 961 Ca -0.48 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.31 2ity h PHE 961 Cb 1.18 -0.28 -0.00 0.00 2.20 0.00 0.00 35.95 39.06 2ity h PHE 961 CO 0.63 0.22 -0.03 0.07 -0.60 0.00 0.00 178.31 178.60 2ity h ARG 962 N 0.67 0.00 0.20 1.51 0.11 -1.94 0.43 114.38 115.35 2ity h ARG 962 Ca 0.54 0.00 -0.33 0.00 0.10 0.00 0.00 59.98 60.29 2ity h ARG 962 Cb 0.97 0.00 0.02 0.00 1.11 0.00 0.00 29.97 32.06 2ity h ARG 962 CO -0.31 0.03 -1.59 0.93 0.10 0.00 0.00 179.97 179.13 2ity h GLU 963 N 0.00 0.41 -0.65 0.08 5.08 -0.71 -2.59 114.58 116.21 2ity h GLU 963 Ca -0.00 -0.71 -0.09 0.00 -1.00 0.00 0.00 59.36 57.57 2ity h GLU 963 Cb 0.24 0.26 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 2ity h GLU 963 CO 0.00 1.32 0.06 -0.07 -1.00 0.00 0.00 179.01 179.33 2ity h LEU 964 N 0.11 1.06 0.11 1.33 3.38 -0.29 0.43 115.31 121.44 2ity h LEU 964 Ca -0.28 -0.28 0.01 0.00 0.09 0.00 0.00 57.88 57.43 2ity h LEU 964 Cb 2.10 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 42.54 2ity h LEU 964 CO 0.21 1.08 -0.20 0.40 0.09 0.00 0.00 178.44 180.02 2ity h ILE 965 N 1.02 0.55 0.28 1.22 2.04 -0.23 -2.35 117.51 120.03 2ity h ILE 965 Ca 0.19 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.05 2ity h ILE 965 Cb 0.49 0.55 -0.04 0.00 -0.74 0.00 0.00 36.82 37.08 2ity h ILE 965 CO 0.02 0.00 -0.50 0.40 0.00 0.00 0.00 178.15 178.07 2ity h ILE 966 N -0.38 0.00 -0.88 -0.67 2.04 -0.99 -2.39 117.51 114.24 2ity h ILE 966 Ca 0.03 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.94 2ity h ILE 966 Cb 0.40 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.42 2ity h ILE 966 CO -0.11 0.00 0.55 -0.33 0.00 0.00 0.00 178.15 178.27 2ity h GLU 967 N -0.83 1.01 -0.05 2.37 4.39 -0.04 -0.05 114.58 121.38 2ity h GLU 967 Ca -0.03 -0.06 -0.18 0.00 0.34 0.00 0.00 59.36 59.43 2ity h GLU 967 Cb 0.78 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 29.20 2ity h GLU 967 CO -0.19 0.67 -0.76 0.74 -1.16 0.00 0.00 179.01 178.32 2ity h PHE 968 N 1.04 0.42 -0.50 4.33 0.04 -1.47 -2.37 116.94 118.44 2ity h PHE 968 Ca 0.37 -0.19 0.00 0.00 2.80 0.00 0.00 57.97 60.95 2ity h PHE 968 Cb 0.10 -0.06 -0.02 0.00 2.20 0.00 0.00 35.95 38.17 2ity h PHE 968 CO -0.02 0.95 0.31 1.03 -0.60 0.00 0.00 178.31 179.98 2ity h SER 969 N 0.20 0.58 -0.20 2.17 0.87 -0.92 0.71 113.55 116.96 2ity h SER 969 Ca -0.03 -0.04 0.04 0.00 -1.23 0.00 0.00 61.79 60.54 2ity h SER 969 Cb 1.33 -0.15 -0.04 0.00 -0.44 0.00 0.00 62.40 63.10 2ity h SER 969 CO 0.12 0.45 -0.08 0.11 -0.53 0.00 0.00 176.83 176.90 2ity h LYS 970 N 0.67 -0.05 -0.19 2.24 1.57 -0.86 -2.54 116.57 117.41 2ity h LYS 970 Ca 0.18 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.90 2ity h LYS 970 Cb -0.04 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 2ity h LYS 970 CO -0.04 -0.03 -0.15 0.52 -0.57 0.00 0.00 179.45 179.18 2ity h MET 971 N -0.05 0.31 0.00 3.15 2.86 -0.75 -2.23 114.93 118.22 2ity h MET 971 Ca 0.11 -0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 2ity h MET 971 Cb 0.21 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.83 2ity h MET 971 CO -0.23 0.47 0.00 0.00 1.06 0.00 0.00 176.91 178.20 2ity n ALA 972 N -2.48 1.68 0.15 6.32 0.00 0.24 -1.70 120.51 124.71 2ity n ALA 972 Ca -0.00 0.05 0.02 0.00 0.00 0.00 0.00 53.44 53.51 2ity n ALA 972 Cb 0.30 -1.35 0.16 0.00 0.00 0.00 0.00 19.45 18.56 2ity n ALA 972 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ity h ARG 973 N 0.00 0.00 -2.02 0.00 3.08 -1.28 -3.36 114.38 110.79 2ity h ARG 973 Ca 0.00 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.50 2ity h ARG 973 Cb 0.35 0.00 -0.40 0.00 0.08 0.00 0.00 29.97 30.00 2ity h ARG 973 CO 0.00 0.52 -1.07 -3.47 -1.07 0.00 0.00 179.97 174.88 2ity n ASP 974 N -3.43 0.72 0.24 7.04 4.64 -0.69 -4.98 116.55 120.10 2ity n ASP 974 Ca 0.00 -2.84 0.16 0.00 -1.38 0.00 0.00 54.79 50.74 2ity n ASP 974 Cb 0.65 -0.64 0.74 0.00 -1.04 0.00 0.00 41.12 40.83 2ity n ASP 974 CO 0.00 0.00 0.00 1.55 -0.82 0.00 0.00 177.20 177.93 2ity h PRO 975 N 3.82 0.00 0.00 -0.67 0.13 -1.67 -2.06 132.00 131.55 2ity h PRO 975 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 2ity h PRO 975 Cb 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 2ity h PRO 975 CO 0.51 0.00 -0.18 0.94 -0.23 0.00 0.00 178.00 179.04 2ity n GLN 976 N -2.78 0.11 0.02 0.86 7.27 -1.26 -1.90 117.38 119.70 2ity n GLN 976 Ca -0.00 0.07 0.13 0.00 0.07 0.00 0.00 57.00 57.27 2ity n GLN 976 Cb 0.20 -1.61 0.36 0.00 2.41 0.00 0.00 30.24 31.60 2ity n GLN 976 CO 0.00 0.00 0.00 -2.13 0.07 0.00 0.00 177.06 175.00 2ity n ARG 977 N -1.80 0.08 -0.00 3.69 0.63 -0.77 -4.23 116.66 114.25 2ity n ARG 977 Ca 0.06 0.03 0.00 0.00 -0.92 0.00 0.00 57.85 57.02 2ity n ARG 977 Cb 0.38 -1.56 -0.01 0.00 0.45 0.00 0.00 32.46 31.72 2ity n ARG 977 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 2ity n TYR 978 N -1.68 0.00 -3.92 -0.14 4.02 -1.08 -4.94 117.16 109.42 2ity n TYR 978 Ca 0.06 0.00 -0.23 0.00 -0.01 0.00 0.00 57.90 57.72 2ity n TYR 978 Cb 0.36 -0.03 -0.17 0.00 -0.02 0.00 0.00 39.34 39.48 2ity n TYR 978 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 2ity s LEU 979 N -3.43 0.92 -0.55 7.72 1.43 -0.80 -2.95 118.68 121.01 2ity s LEU 979 Ca -0.00 -0.13 -0.17 0.00 -1.03 0.00 0.00 54.13 52.79 2ity s LEU 979 Cb 0.01 -0.51 0.11 0.00 0.03 0.00 0.00 46.19 45.83 2ity s LEU 979 CO 0.04 -0.14 0.57 -0.69 0.23 0.00 0.00 176.35 176.37 2ity s VAL 980 N 1.59 5.06 -0.12 -1.59 1.01 -0.17 -4.58 120.40 121.59 2ity s VAL 980 Ca -0.00 -1.26 0.02 0.00 0.00 0.00 0.00 61.98 60.74 2ity s VAL 980 Cb -0.13 -4.38 -0.00 0.00 0.00 0.00 0.00 36.38 31.87 2ity s VAL 980 CO -0.04 -0.95 -0.20 -0.63 0.00 0.00 0.00 175.10 173.28 2ity s ILE 981 N 2.03 2.35 -0.20 2.22 1.01 -1.26 -4.41 121.20 122.94 2ity s ILE 981 Ca 0.07 -0.90 -0.37 0.00 0.00 0.00 0.00 60.65 59.45 2ity s ILE 981 Cb -0.27 -1.94 -0.13 0.00 0.01 0.00 0.00 42.46 40.13 2ity s ILE 981 CO 0.05 0.54 1.87 0.00 0.00 0.00 0.00 174.94 177.40 2ity n GLN 982 N 3.75 1.66 -3.11 2.79 3.00 -1.26 -1.65 117.38 122.56 2ity n GLN 982 Ca -0.19 0.59 -0.14 0.00 -0.01 0.00 0.00 57.00 57.25 2ity n GLN 982 Cb 0.52 -2.42 0.06 0.00 0.00 0.00 0.00 30.24 28.39 2ity n GLN 982 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2ity n GLY 983 N 4.60 -0.06 0.35 1.08 0.00 -1.26 -4.95 105.19 104.94 2ity n GLY 983 Ca 0.26 -0.07 -0.16 0.00 0.00 0.00 0.00 46.02 46.05 2ity n GLY 983 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2ity h ASP 984 N -1.58 -0.71 -0.84 1.61 -0.00 -1.74 -3.31 116.42 109.85 2ity h ASP 984 Ca -0.38 -0.02 0.16 0.00 -0.00 0.00 0.00 57.03 56.79 2ity h ASP 984 Cb 1.24 0.18 -0.15 0.00 -0.00 0.00 0.00 39.33 40.60 2ity h ASP 984 CO 0.35 -0.42 -0.27 1.05 -0.00 0.00 0.00 179.24 179.95 2ity h GLU 985 N -0.98 -0.03 -4.76 0.28 9.09 -1.92 -3.13 114.58 113.13 2ity h GLU 985 Ca -0.09 0.00 -0.73 0.00 0.05 0.00 0.00 59.36 58.59 2ity h GLU 985 Cb 0.68 0.01 -0.18 0.00 -1.65 0.00 0.00 28.75 27.61 2ity h GLU 985 CO 0.14 -0.02 1.31 -0.98 0.05 0.00 0.00 179.01 179.51 2ity s ARG 986 N -6.14 4.06 -0.18 1.06 1.70 -1.25 -4.95 118.95 113.25 2ity s ARG 986 Ca -0.14 -2.53 -0.06 0.00 -0.47 0.00 0.00 55.73 52.52 2ity s ARG 986 Cb 0.22 -5.05 0.08 0.00 -0.57 0.00 0.00 34.95 29.64 2ity s ARG 986 CO 0.74 -1.76 0.37 -1.64 -1.08 0.00 0.00 175.30 171.93 2ity s MET 987 N 1.63 0.27 -0.06 3.89 -1.94 -1.19 -5.01 119.30 116.89 2ity s MET 987 Ca 0.42 0.93 0.02 0.00 -1.71 0.00 0.00 55.69 55.35 2ity s MET 987 Cb -0.03 0.19 0.01 0.00 2.01 0.00 0.00 34.83 37.01 2ity s MET 987 CO -0.01 -0.28 -0.12 -3.38 -0.01 0.00 0.00 175.02 171.23 2ity s HIS 988 N 2.55 1.36 0.41 -0.03 -0.00 -1.26 -4.89 115.29 113.43 2ity s HIS 988 Ca -0.00 -0.47 0.07 0.00 -0.00 0.00 0.00 55.06 54.66 2ity s HIS 988 Cb -0.12 -1.00 -0.05 0.00 -0.00 0.00 0.00 32.58 31.41 2ity s HIS 988 CO -0.12 -0.24 0.18 -0.51 -0.00 0.00 0.00 174.74 174.05 2ity s LEU 989 N 0.59 3.13 0.00 5.38 1.43 -1.26 -5.00 118.68 122.95 2ity s LEU 989 Ca -0.13 -1.05 0.00 0.00 -1.03 0.00 0.00 54.13 51.92 2ity s LEU 989 Cb -0.15 -1.47 0.00 0.00 0.03 0.00 0.00 46.19 44.60 2ity s LEU 989 CO 0.03 -0.53 0.00 0.47 0.23 0.00 0.00 176.35 176.55 2ity n ASP 1003N -1.24 0.00 0.00 2.29 9.92 -1.26 -5.04 116.55 121.22 2ity n ASP 1003Ca -0.01 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.25 2ity n ASP 1003Cb 0.64 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.12 2ity n ASP 1003CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 2ity n GLU 1004N 0.00 0.00 0.00 -1.24 0.28 -1.26 -5.15 120.64 113.28 2ity n GLU 1004Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 2ity n GLU 1004Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 2ity n GLU 1004CO 0.00 0.00 0.00 -0.85 -0.16 0.00 0.00 177.13 176.12 2ity n GLU 1005N -0.99 0.00 -3.43 3.44 0.00 -1.26 -4.44 120.64 113.96 2ity n GLU 1005Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 57.16 56.78 2ity n GLU 1005Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 31.44 31.36 2ity n GLU 1005CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 2ity s ASP 1006N -4.00 6.40 0.00 -1.84 3.68 -1.26 -4.93 116.67 114.73 2ity s ASP 1006Ca 0.00 0.47 0.00 0.00 2.13 0.00 0.00 52.55 55.15 2ity s ASP 1006Cb 0.00 -2.21 0.00 0.00 -1.45 0.00 0.00 42.92 39.26 2ity s ASP 1006CO 0.00 -0.04 0.49 0.23 0.13 0.00 0.00 175.17 175.97 2ity n MET 1007N 4.36 0.00 0.00 4.34 2.81 -1.26 -4.90 117.12 122.47 2ity n MET 1007Ca -0.09 -0.38 0.04 0.00 -1.81 0.00 0.00 57.70 55.46 2ity n MET 1007Cb 0.51 -0.26 0.21 0.00 -0.71 0.00 0.00 33.22 32.97 2ity n MET 1007CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 2ity n ASP 1008N 0.00 0.00 -0.33 7.83 5.75 -1.26 -1.86 116.55 126.68 2ity n ASP 1008Ca 0.00 0.17 0.06 0.00 -0.01 0.00 0.00 54.79 55.01 2ity n ASP 1008Cb 0.55 -0.29 0.02 0.00 -1.03 0.00 0.00 41.12 40.37 2ity n ASP 1008CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 2ity n ASP 1009N -1.29 1.53 -4.74 -1.12 10.43 -1.26 -5.03 116.55 115.07 2ity n ASP 1009Ca 0.04 -1.27 -0.41 0.00 2.57 0.00 0.00 54.79 55.72 2ity n ASP 1009Cb 0.07 0.31 -0.02 0.00 1.84 0.00 0.00 41.12 43.31 2ity n ASP 1009CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 2ity s VAL 1010N -1.31 2.68 -0.00 2.53 1.01 -0.77 -2.92 120.40 121.62 2ity s VAL 1010Ca 0.11 0.57 0.01 0.00 0.00 0.00 0.00 61.98 62.67 2ity s VAL 1010Cb 0.09 -3.37 -0.00 0.00 0.00 0.00 0.00 36.38 33.10 2ity s VAL 1010CO 0.24 0.09 -0.03 -0.69 0.00 0.00 0.00 175.10 174.70 2ity s VAL 1011N -0.02 0.27 0.42 2.92 1.01 -0.74 -4.91 120.40 119.35 2ity s VAL 1011Ca 0.59 -0.18 -0.23 0.00 0.00 0.00 0.00 61.98 62.16 2ity s VAL 1011Cb -0.42 -0.24 -0.09 0.00 0.00 0.00 0.00 36.38 35.63 2ity s VAL 1011CO 0.43 0.05 1.01 -0.62 0.00 0.00 0.00 175.10 175.98 2ity s ASP 1012N -0.14 6.75 0.25 3.32 2.15 -1.26 -4.27 116.67 123.46 2ity s ASP 1012Ca 0.01 1.91 -0.03 0.00 0.43 0.00 0.00 52.55 54.87 2ity s ASP 1012Cb -0.02 -2.57 0.49 0.00 -0.30 0.00 0.00 42.92 40.53 2ity s ASP 1012CO -0.00 -0.50 1.75 0.00 -0.17 0.00 0.00 175.17 176.25 2ity h ALA 1013N 2.19 1.18 0.00 3.66 0.00 -1.91 0.14 119.26 124.51 2ity h ALA 1013Ca -0.49 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2ity h ALA 1013Cb 1.21 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2ity h ALA 1013CO 0.61 -0.13 0.16 -0.44 0.00 0.00 0.00 179.25 179.46 2ity h ASP 1014N 0.56 0.00 -0.01 0.00 3.32 -1.99 0.85 116.42 119.15 2ity h ASP 1014Ca 0.44 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.49 2ity h ASP 1014Cb 0.62 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.17 2ity h ASP 1014CO -0.37 0.00 -0.10 -0.62 -1.72 0.00 0.00 179.24 176.43 2ity n GLU 1015N -2.27 1.28 -3.33 3.56 4.71 0.35 -4.88 120.64 120.06 2ity n GLU 1015Ca -0.01 -0.86 -0.45 0.00 -0.01 0.00 0.00 57.16 55.83 2ity n GLU 1015Cb 0.19 -1.14 -0.07 0.00 -1.01 0.00 0.00 31.44 29.42 2ity n GLU 1015CO 0.00 0.00 0.00 -0.47 0.09 0.00 0.00 177.13 176.75 2ity s TYR 1016N -1.11 3.21 0.18 -0.32 6.14 0.29 -4.92 117.35 120.82 2ity s TYR 1016Ca 0.10 -0.95 0.08 0.00 0.64 0.00 0.00 57.07 56.94 2ity s TYR 1016Cb 0.08 -3.37 -0.04 0.00 0.42 0.00 0.00 41.96 39.05 2ity s TYR 1016CO 0.19 -0.89 -0.07 -0.51 0.64 0.00 0.00 175.55 174.91 2ity s LEU 1017N 1.79 3.05 0.05 6.97 1.02 -1.26 -4.91 118.68 125.39 2ity s LEU 1017Ca 0.05 -0.53 0.03 0.00 0.02 0.00 0.00 54.13 53.70 2ity s LEU 1017Cb -0.25 -1.73 -0.03 0.00 0.02 0.00 0.00 46.19 44.20 2ity s LEU 1017CO 0.07 0.10 -0.09 0.27 0.02 0.00 0.00 176.35 176.72 2ity s ILE 1018N -1.69 0.67 -2.00 -0.59 -4.36 -1.26 -5.24 121.20 106.73 2ity s ILE 1018Ca 0.25 -1.14 0.02 0.00 -0.26 0.00 0.00 60.65 59.52 2ity s ILE 1018Cb -0.09 -0.72 0.05 0.00 1.25 0.00 0.00 42.46 42.94 2ity s ILE 1018CO 0.16 -0.35 0.59 -2.65 0.24 0.00 0.00 174.94 172.92