#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ika s ALA 698 N 0.00 2.56 0.11 4.31 0.00 -1.26 -5.10 121.76 122.37 3ika s ALA 698 Ca 0.00 -1.95 -0.31 0.00 0.00 0.00 0.00 51.96 49.70 3ika s ALA 698 Cb 0.00 0.07 -0.07 0.00 0.00 0.00 0.00 23.12 23.12 3ika s ALA 698 CO 0.00 0.01 1.30 -2.14 0.00 0.00 0.00 175.76 174.93 3ika s PRO 699 N -3.67 4.38 -0.47 0.00 0.02 -1.26 -4.99 135.00 129.01 3ika s PRO 699 Ca 0.30 1.95 -0.16 0.00 0.02 0.00 0.00 61.00 63.11 3ika s PRO 699 Cb 0.03 -3.28 0.07 0.00 0.02 0.00 0.00 34.50 31.34 3ika s PRO 699 CO 0.13 -0.33 0.40 1.21 -0.33 0.00 0.00 177.00 178.09 3ika s ASN 700 N 0.94 6.15 -0.39 2.53 3.84 -1.26 -4.90 114.94 121.85 3ika s ASN 700 Ca 0.61 -1.31 0.06 0.00 0.21 0.00 0.00 52.86 52.43 3ika s ASN 700 Cb -0.34 -2.19 0.64 0.00 -0.55 0.00 0.00 41.25 38.82 3ika s ASN 700 CO 0.31 -0.65 1.79 0.00 -2.79 0.00 0.00 177.10 175.76 3ika n GLN 701 N 5.23 2.37 -2.17 0.43 6.02 -1.26 -4.94 117.38 123.05 3ika n GLN 701 Ca -0.12 -3.06 -0.36 0.00 -0.01 0.00 0.00 57.00 53.45 3ika n GLN 701 Cb 0.44 -2.10 0.01 0.00 1.02 0.00 0.00 30.24 29.61 3ika n GLN 701 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3ika s ALA 702 N -3.24 2.67 0.21 -1.58 0.00 -1.26 -5.02 121.76 113.54 3ika s ALA 702 Ca 0.54 0.90 0.04 0.00 0.00 0.00 0.00 51.96 53.44 3ika s ALA 702 Cb 0.46 -3.40 -0.03 0.00 0.00 0.00 0.00 23.12 20.15 3ika s ALA 702 CO 0.09 -0.90 0.31 -0.51 0.00 0.00 0.00 175.76 174.75 3ika s LEU 703 N -3.83 4.25 -0.32 0.00 1.43 -1.26 -5.05 118.68 113.90 3ika s LEU 703 Ca 0.74 0.06 -0.02 0.00 -1.03 0.00 0.00 54.13 53.88 3ika s LEU 703 Cb -0.27 -2.80 0.11 0.00 0.03 0.00 0.00 46.19 43.26 3ika s LEU 703 CO 0.30 -0.02 0.14 -0.22 0.23 0.00 0.00 176.35 176.78 3ika s LEU 704 N -3.69 1.46 -0.14 1.79 2.96 -1.26 -4.87 118.68 114.93 3ika s LEU 704 Ca 0.34 -1.69 -0.26 0.00 -0.22 0.00 0.00 54.13 52.30 3ika s LEU 704 Cb -0.10 -0.62 -0.02 0.00 0.50 0.00 0.00 46.19 45.96 3ika s LEU 704 CO 0.28 -0.39 0.87 -0.60 -1.32 0.00 0.00 176.35 175.19 3ika s ARG 705 N 1.59 4.34 -0.38 1.98 3.52 -1.26 -4.93 118.95 123.81 3ika s ARG 705 Ca 0.12 1.11 -0.19 0.00 -0.13 0.00 0.00 55.73 56.63 3ika s ARG 705 Cb -0.18 -3.56 0.01 0.00 -1.56 0.00 0.00 34.95 29.66 3ika s ARG 705 CO -0.23 -0.29 0.58 0.42 -0.81 0.00 0.00 175.30 174.96 3ika s ILE 706 N 2.01 4.94 -0.11 4.11 -1.09 -1.26 -0.53 121.20 129.26 3ika s ILE 706 Ca 0.41 0.32 -0.04 0.00 -2.23 0.00 0.00 60.65 59.11 3ika s ILE 706 Cb -0.17 -4.06 -0.04 0.00 -1.58 0.00 0.00 42.46 36.61 3ika s ILE 706 CO 0.14 -0.35 0.04 -0.76 -1.23 0.00 0.00 174.94 172.79 3ika s LEU 707 N 2.57 3.78 0.53 2.97 1.43 0.06 -4.93 118.68 125.09 3ika s LEU 707 Ca 0.21 0.19 -0.18 0.00 -1.03 0.00 0.00 54.13 53.32 3ika s LEU 707 Cb -0.15 -1.90 -0.06 0.00 0.03 0.00 0.00 46.19 44.11 3ika s LEU 707 CO 0.15 0.34 1.04 -1.59 0.23 0.00 0.00 176.35 176.52 3ika s LYS 708 N -0.63 3.61 0.48 1.70 -2.85 -1.26 -4.20 119.74 116.59 3ika s LYS 708 Ca 0.11 1.27 0.18 0.00 -1.00 0.00 0.00 55.97 56.53 3ika s LYS 708 Cb -0.12 -2.07 1.18 0.00 -2.06 0.00 0.00 37.83 34.76 3ika s LYS 708 CO 0.02 -0.58 2.04 1.49 0.10 0.00 0.00 175.35 178.42 3ika h GLU 709 N 1.05 0.00 -0.74 1.78 4.81 -1.95 -2.09 114.58 117.44 3ika h GLU 709 Ca -0.48 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 58.79 3ika h GLU 709 Cb 1.22 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.56 3ika h GLU 709 CO 0.58 0.14 0.49 1.15 -0.73 0.00 0.00 179.01 180.65 3ika h THR 710 N 0.00 1.09 0.00 0.32 2.02 -1.99 -2.61 112.91 111.74 3ika h THR 710 Ca -0.00 -0.30 -0.03 0.00 0.77 0.00 0.00 66.41 66.85 3ika h THR 710 Cb 0.27 0.14 -0.00 0.00 -1.74 0.00 0.00 68.15 66.82 3ika h THR 710 CO 0.02 0.16 -0.15 -0.33 0.37 0.00 0.00 175.52 175.59 3ika h GLU 711 N 0.87 0.00 -5.43 6.66 5.08 -1.63 -3.46 114.58 116.68 3ika h GLU 711 Ca 0.30 0.00 -0.43 0.00 -1.00 0.00 0.00 59.36 58.24 3ika h GLU 711 Cb 0.10 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 29.14 3ika h GLU 711 CO -0.09 0.15 -0.78 -0.59 -1.00 0.00 0.00 179.01 176.69 3ika s PHE 712 N -4.09 1.29 -0.08 4.33 -0.12 -0.98 -0.90 117.98 117.42 3ika s PHE 712 Ca -0.02 -0.47 0.03 0.00 -0.05 0.00 0.00 56.93 56.42 3ika s PHE 712 Cb 0.13 -0.72 -0.02 0.00 -0.63 0.00 0.00 43.02 41.78 3ika s PHE 712 CO 0.60 0.08 -0.17 0.21 -0.05 0.00 0.00 175.22 175.89 3ika s LYS 713 N -1.86 2.87 0.00 1.99 2.20 0.27 -4.96 119.74 120.25 3ika s LYS 713 Ca -0.00 -0.75 -0.22 0.00 -0.36 0.00 0.00 55.97 54.64 3ika s LYS 713 Cb -0.09 -2.42 -0.05 0.00 -1.51 0.00 0.00 37.83 33.75 3ika s LYS 713 CO 0.02 0.40 0.67 0.15 -0.36 0.00 0.00 175.35 176.23 3ika s LYS 714 N -0.15 4.40 -0.18 4.03 1.02 -1.26 -0.14 119.74 127.45 3ika s LYS 714 Ca -0.02 0.86 -0.17 0.00 0.02 0.00 0.00 55.97 56.67 3ika s LYS 714 Cb -0.14 -3.36 -0.06 0.00 -0.52 0.00 0.00 37.83 33.75 3ika s LYS 714 CO 0.03 0.30 -0.34 -0.89 -0.92 0.00 0.00 175.35 173.53 3ika n ILE 715 N 2.90 1.49 -3.80 2.17 5.41 0.18 -4.94 119.36 122.76 3ika n ILE 715 Ca -0.05 0.10 -0.12 0.00 1.00 0.00 0.00 62.75 63.69 3ika n ILE 715 Cb 0.51 -2.28 -0.08 0.00 -0.71 0.00 0.00 39.64 37.07 3ika n ILE 715 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 176.55 174.96 3ika s LYS 716 N -2.85 0.68 0.13 0.38 -2.85 -1.20 -4.98 119.74 109.06 3ika s LYS 716 Ca -0.29 -0.43 -0.31 0.00 -1.00 0.00 0.00 55.97 53.94 3ika s LYS 716 Cb 0.05 0.29 -0.08 0.00 -2.06 0.00 0.00 37.83 36.03 3ika s LYS 716 CO 0.42 -0.20 1.41 0.08 0.10 0.00 0.00 175.35 177.17 3ika s VAL 717 N -2.00 3.17 -2.28 1.79 1.01 -1.26 -0.84 120.40 119.99 3ika s VAL 717 Ca -0.09 0.85 0.20 0.00 0.00 0.00 0.00 61.98 62.94 3ika s VAL 717 Cb -0.03 -3.55 0.11 0.00 0.00 0.00 0.00 36.38 32.91 3ika s VAL 717 CO -0.00 0.07 1.08 -0.11 0.00 0.00 0.00 175.10 176.14 3ika n LEU 718 N 3.82 2.42 0.00 3.92 7.94 0.11 -4.85 117.00 130.35 3ika n LEU 718 Ca 0.11 -0.93 0.00 0.00 -1.11 0.00 0.00 56.01 54.09 3ika n LEU 718 Cb 0.42 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.37 3ika n LEU 718 CO 0.59 0.42 0.00 0.61 -1.11 0.00 0.00 177.39 177.90 3ika n GLY 719 N 1.18 4.20 3.65 -3.96 0.00 -1.02 -4.88 105.19 104.35 3ika n GLY 719 Ca 0.11 -0.85 -0.33 0.00 0.00 0.00 0.00 46.02 44.94 3ika n GLY 719 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3ika s SER 720 N 0.00 5.00 0.00 1.61 0.15 -1.26 -1.34 113.70 117.86 3ika s SER 720 Ca 0.00 0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.66 3ika s SER 720 Cb 0.00 -1.31 0.00 0.00 -1.71 0.00 0.00 66.02 63.00 3ika s SER 720 CO 0.00 0.32 0.00 0.61 1.20 0.00 0.00 173.24 175.37 3ika n GLY 721 N 1.78 1.80 0.22 9.45 0.00 -1.20 -4.70 105.19 112.54 3ika n GLY 721 Ca -0.16 -0.20 0.04 0.00 0.00 0.00 0.00 46.02 45.70 3ika n GLY 721 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ika h ALA 722 N 2.00 1.62 -0.85 4.61 0.00 -1.75 -3.24 119.26 121.65 3ika h ALA 722 Ca 0.00 -0.19 -0.60 0.00 0.00 0.00 0.00 54.91 54.12 3ika h ALA 722 Cb 0.00 -0.04 -0.35 0.00 0.00 0.00 0.00 17.79 17.40 3ika h ALA 722 CO 0.00 0.28 0.03 1.19 0.00 0.00 0.00 179.25 180.75 3ika n PHE 723 N -4.29 2.91 0.00 0.00 3.72 -1.26 -4.88 117.46 113.67 3ika n PHE 723 Ca -0.02 -2.58 0.00 0.00 -0.05 0.00 0.00 57.45 54.80 3ika n PHE 723 Cb 0.27 -0.88 0.00 0.00 -0.94 0.00 0.00 39.48 37.93 3ika n PHE 723 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ika n GLY 724 N -0.83 -0.50 3.59 1.37 0.00 -1.22 -4.58 105.19 103.02 3ika n GLY 724 Ca 0.53 -1.67 -0.42 0.00 0.00 0.00 0.00 46.02 44.45 3ika n GLY 724 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ika s THR 725 N -2.65 4.76 -0.21 2.61 2.01 -0.31 -3.23 115.64 118.62 3ika s THR 725 Ca 0.00 0.95 -0.04 0.00 0.31 0.00 0.00 61.69 62.90 3ika s THR 725 Cb 0.00 -4.19 -0.02 0.00 0.01 0.00 0.00 72.50 68.30 3ika s THR 725 CO 0.00 -0.38 -0.02 -0.69 -0.69 0.00 0.00 174.62 172.84 3ika s VAL 726 N 3.05 3.73 0.21 3.82 1.01 -0.45 -2.00 120.40 129.78 3ika s VAL 726 Ca 0.31 -0.38 0.06 0.00 0.00 0.00 0.00 61.98 61.97 3ika s VAL 726 Cb -0.13 -2.69 -0.04 0.00 0.00 0.00 0.00 36.38 33.52 3ika s VAL 726 CO 0.16 0.43 0.16 -0.31 0.00 0.00 0.00 175.10 175.54 3ika s TYR 727 N 1.15 3.12 0.02 5.22 4.12 0.50 -0.72 117.35 130.77 3ika s TYR 727 Ca 0.02 -0.07 -0.10 0.00 0.02 0.00 0.00 57.07 56.95 3ika s TYR 727 Cb -0.14 -1.44 -0.05 0.00 -1.52 0.00 0.00 41.96 38.80 3ika s TYR 727 CO 0.01 0.52 0.34 0.21 0.02 0.00 0.00 175.55 176.65 3ika s LYS 728 N -3.51 3.71 0.32 -0.62 2.20 -0.02 -1.31 119.74 120.52 3ika s LYS 728 Ca 0.32 0.12 -0.11 0.00 -0.36 0.00 0.00 55.97 55.94 3ika s LYS 728 Cb -0.09 -3.08 0.05 0.00 -1.51 0.00 0.00 37.83 33.19 3ika s LYS 728 CO 0.24 0.63 0.63 0.41 -0.36 0.00 0.00 175.35 176.91 3ika n GLY 729 N 1.24 1.26 3.22 5.54 0.00 -0.71 0.47 105.19 116.21 3ika n GLY 729 Ca -0.11 -1.25 -0.22 0.00 0.00 0.00 0.00 46.02 44.44 3ika n GLY 729 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ika s LEU 730 N 0.00 2.23 -0.18 0.99 1.43 0.80 -0.29 118.68 123.66 3ika s LEU 730 Ca 0.14 -0.58 0.00 0.00 -1.03 0.00 0.00 54.13 52.66 3ika s LEU 730 Cb -0.04 -0.76 0.04 0.00 0.03 0.00 0.00 46.19 45.46 3ika s LEU 730 CO 0.11 0.05 -0.07 0.86 0.23 0.00 0.00 176.35 177.52 3ika s TRP 731 N -1.03 2.03 -0.42 0.29 -0.00 0.16 -0.56 118.94 119.41 3ika s TRP 731 Ca 0.04 -1.33 -0.12 0.00 -0.00 0.00 0.00 56.10 54.69 3ika s TRP 731 Cb -0.09 -1.46 0.06 0.00 -0.00 0.00 0.00 33.47 31.97 3ika s TRP 731 CO 0.03 -0.68 0.29 0.42 -0.00 0.00 0.00 176.95 177.00 3ika s ILE 732 N 1.52 4.70 -0.42 5.86 -1.09 -0.08 -1.22 121.20 130.46 3ika s ILE 732 Ca -0.00 -1.09 -0.21 0.00 -2.23 0.00 0.00 60.65 57.12 3ika s ILE 732 Cb -0.16 -3.76 0.02 0.00 -1.58 0.00 0.00 42.46 36.98 3ika s ILE 732 CO -0.08 -0.43 0.66 -2.16 -1.23 0.00 0.00 174.94 171.70 3ika s PRO 733 N 1.54 3.38 6.33 2.79 0.04 -1.26 -4.61 135.00 143.22 3ika s PRO 733 Ca 0.03 -0.24 0.00 0.00 0.04 0.00 0.00 61.00 60.83 3ika s PRO 733 Cb -0.22 -3.92 0.00 0.00 0.04 0.00 0.00 34.50 30.40 3ika s PRO 733 CO 0.05 -0.96 0.00 -1.91 0.04 0.00 0.00 177.00 174.22 3ika n GLU 734 N 6.28 0.00 -3.48 4.56 0.00 -1.26 -3.73 120.64 123.00 3ika n GLU 734 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 57.16 56.72 3ika n GLU 734 Cb 0.48 0.00 -0.06 0.00 0.00 0.00 0.00 31.44 31.86 3ika n GLU 734 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 3ika s GLY 735 N -0.03 2.38 0.03 8.31 0.00 -1.26 -4.99 107.32 111.75 3ika s GLY 735 Ca 0.00 -2.99 -0.25 0.00 0.00 0.00 0.00 44.72 41.48 3ika s GLY 735 CO 0.00 1.17 0.57 -0.54 0.00 0.00 0.00 173.10 174.31 3ika s GLU 736 N 0.62 1.05 0.20 2.90 0.41 -1.24 -5.05 118.70 117.59 3ika s GLU 736 Ca 0.12 -0.10 -0.09 0.00 -0.41 0.00 0.00 54.97 54.49 3ika s GLU 736 Cb -0.20 0.49 0.13 0.00 -1.78 0.00 0.00 34.13 32.77 3ika s GLU 736 CO -0.04 -0.37 1.78 0.87 -0.49 0.00 0.00 175.26 177.01 3ika h LYS 737 N 2.82 1.08 -6.66 1.61 1.57 -1.94 -3.46 116.57 111.59 3ika h LYS 737 Ca -0.30 -0.18 -0.58 0.00 -1.87 0.00 0.00 60.65 57.72 3ika h LYS 737 Cb 1.20 -0.18 0.11 0.00 0.08 0.00 0.00 32.23 33.43 3ika h LYS 737 CO 0.40 0.87 0.43 1.55 -0.57 0.00 0.00 179.45 182.13 3ika n VAL 738 N -4.37 1.84 -4.46 0.50 3.14 -1.26 -5.07 118.33 108.65 3ika n VAL 738 Ca 0.06 -0.46 -0.30 0.00 -2.96 0.00 0.00 64.34 60.68 3ika n VAL 738 Cb 0.16 -1.42 -0.17 0.00 -1.06 0.00 0.00 33.84 31.35 3ika n VAL 738 CO 0.00 0.00 0.00 -1.59 -6.46 0.00 0.00 176.83 168.78 3ika s LYS 739 N -1.59 2.45 -0.15 1.45 -2.85 -1.26 -4.22 119.74 113.58 3ika s LYS 739 Ca 0.58 -0.64 -0.02 0.00 -1.00 0.00 0.00 55.97 54.89 3ika s LYS 739 Cb -0.61 -2.06 -0.02 0.00 -2.06 0.00 0.00 37.83 33.08 3ika s LYS 739 CO 0.60 -0.07 -0.09 0.42 0.10 0.00 0.00 175.35 176.31 3ika s ILE 740 N 1.00 3.37 0.44 3.79 1.01 -0.36 -4.04 121.20 126.41 3ika s ILE 740 Ca -0.05 -0.54 -0.23 0.00 0.00 0.00 0.00 60.65 59.82 3ika s ILE 740 Cb -0.15 -2.45 -0.08 0.00 0.01 0.00 0.00 42.46 39.79 3ika s ILE 740 CO -0.03 0.51 1.10 -2.16 0.00 0.00 0.00 174.94 174.36 3ika s PRO 741 N 0.44 3.93 0.32 2.79 0.04 -1.26 0.35 135.00 141.61 3ika s PRO 741 Ca -0.07 1.63 -0.09 0.00 0.04 0.00 0.00 61.00 62.51 3ika s PRO 741 Cb -0.15 -2.43 0.01 0.00 0.04 0.00 0.00 34.50 31.96 3ika s PRO 741 CO 0.04 -0.37 0.53 0.14 0.04 0.00 0.00 177.00 177.38 3ika s VAL 742 N -1.63 0.00 -0.07 -0.36 -7.23 0.60 -2.57 120.40 109.13 3ika s VAL 742 Ca 0.61 -1.42 0.03 0.00 -1.81 0.00 0.00 61.98 59.39 3ika s VAL 742 Cb -0.25 -2.53 0.01 0.00 0.56 0.00 0.00 36.38 34.17 3ika s VAL 742 CO 0.30 0.00 -0.16 0.00 -0.31 0.00 0.00 175.10 174.93 3ika s ALA 743 N -3.25 1.53 -0.05 1.32 0.00 -0.13 -1.74 121.76 119.44 3ika s ALA 743 Ca 0.25 -0.59 0.03 0.00 0.00 0.00 0.00 51.96 51.65 3ika s ALA 743 Cb -0.01 -0.63 -0.03 0.00 0.00 0.00 0.00 23.12 22.45 3ika s ALA 743 CO 0.15 0.18 -0.13 0.42 0.00 0.00 0.00 175.76 176.38 3ika s ILE 744 N 0.53 3.21 0.11 0.00 1.01 -0.43 -1.15 121.20 124.48 3ika s ILE 744 Ca -0.15 -0.67 0.08 0.00 0.00 0.00 0.00 60.65 59.90 3ika s ILE 744 Cb -0.16 -2.27 -0.04 0.00 0.01 0.00 0.00 42.46 40.00 3ika s ILE 744 CO 0.05 0.59 -0.20 -0.75 0.00 0.00 0.00 174.94 174.63 3ika s LYS 745 N -0.76 1.11 -0.27 2.79 2.20 -0.39 -0.37 119.74 124.05 3ika s LYS 745 Ca 0.12 -1.17 -0.23 0.00 -0.36 0.00 0.00 55.97 54.32 3ika s LYS 745 Cb -0.11 -1.32 0.08 0.00 -1.51 0.00 0.00 37.83 34.98 3ika s LYS 745 CO 0.01 0.30 0.79 -1.83 -0.36 0.00 0.00 175.35 174.26 3ika s GLU 746 N -2.01 0.74 0.73 4.03 -1.05 -0.85 -2.05 118.70 118.24 3ika s GLU 746 Ca 0.07 0.94 -0.15 0.00 -0.15 0.00 0.00 54.97 55.68 3ika s GLU 746 Cb -0.09 0.33 0.04 0.00 -0.44 0.00 0.00 34.13 33.96 3ika s GLU 746 CO 0.04 -0.10 1.21 -0.51 0.95 0.00 0.00 175.26 176.85 3ika s LEU 747 N 0.55 3.32 0.26 1.83 1.43 -1.26 -1.16 118.68 123.65 3ika s LEU 747 Ca -0.01 2.35 0.00 0.00 -1.03 0.00 0.00 54.13 55.44 3ika s LEU 747 Cb -0.05 -4.59 0.34 0.00 0.03 0.00 0.00 46.19 41.92 3ika s LEU 747 CO -0.04 -2.25 1.69 0.03 0.23 0.00 0.00 176.35 176.01 3ika h ARG 748 N -0.29 0.58 -7.13 1.70 3.08 -1.89 -3.42 114.38 107.01 3ika h ARG 748 Ca -0.48 -0.22 -0.55 0.00 0.07 0.00 0.00 59.98 58.80 3ika h ARG 748 Cb 1.30 -0.03 0.16 0.00 0.08 0.00 0.00 29.97 31.48 3ika h ARG 748 CO 0.50 0.77 0.48 -1.21 -1.07 0.00 0.00 179.97 179.44 3ika s GLU 749 N -4.53 2.36 0.64 0.04 2.02 -1.26 -4.95 118.70 113.02 3ika s GLU 749 Ca -0.08 2.00 -0.16 0.00 0.02 0.00 0.00 54.97 56.76 3ika s GLU 749 Cb 0.14 -1.83 -0.01 0.00 0.10 0.00 0.00 34.13 32.52 3ika s GLU 749 CO 0.80 -1.73 1.11 0.00 0.02 0.00 0.00 175.26 175.47 3ika s ALA 750 N -1.55 2.51 0.20 5.21 0.00 -1.26 -4.92 121.76 121.95 3ika s ALA 750 Ca 0.81 0.59 -0.32 0.00 0.00 0.00 0.00 51.96 53.04 3ika s ALA 750 Cb -0.36 -3.32 -0.12 0.00 0.00 0.00 0.00 23.12 19.32 3ika s ALA 750 CO 0.42 -1.19 1.74 0.99 0.00 0.00 0.00 175.76 177.72 3ika s THR 751 N -2.24 2.09 0.19 0.00 2.01 -1.26 -4.77 115.64 111.65 3ika s THR 751 Ca 0.68 0.02 -0.23 0.00 0.31 0.00 0.00 61.69 62.47 3ika s THR 751 Cb -0.21 -3.01 0.05 0.00 0.01 0.00 0.00 72.50 69.34 3ika s THR 751 CO 0.39 0.00 0.69 -0.94 -0.69 0.00 0.00 174.62 174.07 3ika s SER 752 N 1.39 -0.41 0.15 3.53 1.04 -1.26 -5.03 113.70 113.11 3ika s SER 752 Ca 0.76 -0.25 -0.16 0.00 0.48 0.00 0.00 55.95 56.78 3ika s SER 752 Cb -0.49 0.62 0.03 0.00 0.10 0.00 0.00 66.02 66.28 3ika s SER 752 CO 0.33 -1.07 1.80 -0.65 0.98 0.00 0.00 173.24 174.62 3ika h PRO 753 N 2.00 0.44 -0.54 4.02 0.11 -1.98 -1.88 132.00 134.17 3ika h PRO 753 Ca -0.27 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.73 3ika h PRO 753 Cb 1.28 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 3ika h PRO 753 CO 0.31 0.29 -0.01 0.87 -0.21 0.00 0.00 178.00 179.25 3ika h LYS 754 N 0.46 0.96 0.11 1.05 1.57 -1.96 -0.28 116.57 118.47 3ika h LYS 754 Ca 0.15 -0.31 -0.01 0.00 -1.87 0.00 0.00 60.65 58.62 3ika h LYS 754 Cb 0.01 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.23 3ika h LYS 754 CO -0.07 0.97 -0.05 0.00 -0.57 0.00 0.00 179.45 179.73 3ika h ALA 755 N 0.95 -0.15 -0.78 3.86 0.00 -1.86 -2.06 119.26 119.23 3ika h ALA 755 Ca 0.15 -0.03 0.14 0.00 0.00 0.00 0.00 54.91 55.17 3ika h ALA 755 Cb 0.55 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.34 3ika h ALA 755 CO 0.03 -0.58 0.52 -0.91 0.00 0.00 0.00 179.25 178.30 3ika h ASN 756 N -0.15 0.45 -0.02 0.00 -0.26 -1.17 0.24 115.58 114.67 3ika h ASN 756 Ca -0.01 0.02 -0.00 0.00 -0.56 0.00 0.00 56.30 55.75 3ika h ASN 756 Cb 0.12 -0.06 -0.00 0.00 -1.06 0.00 0.00 38.32 37.31 3ika h ASN 756 CO 0.02 0.23 -0.01 0.50 -1.06 0.00 0.00 177.43 177.12 3ika h LYS 757 N 0.48 0.03 -0.31 0.81 3.64 -0.75 -2.88 116.57 117.58 3ika h LYS 757 Ca 0.38 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.73 3ika h LYS 757 Cb 0.80 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.61 3ika h LYS 757 CO -0.13 0.45 0.13 0.93 -2.27 0.00 0.00 179.45 178.56 3ika h GLU 758 N -0.39 0.46 -0.98 1.90 5.08 -0.62 -0.38 114.58 119.65 3ika h GLU 758 Ca 0.00 -0.08 0.22 0.00 -1.00 0.00 0.00 59.36 58.50 3ika h GLU 758 Cb 0.44 -0.08 -0.09 0.00 0.50 0.00 0.00 28.75 29.53 3ika h GLU 758 CO 0.00 0.46 0.63 0.97 -1.00 0.00 0.00 179.01 180.07 3ika h ILE 759 N 0.36 0.64 0.05 3.13 6.09 -0.61 0.11 117.51 127.28 3ika h ILE 759 Ca 0.10 -0.17 -0.25 0.00 -1.37 0.00 0.00 64.86 63.17 3ika h ILE 759 Cb 0.17 0.09 -0.02 0.00 0.47 0.00 0.00 36.82 37.52 3ika h ILE 759 CO -0.01 0.09 -1.24 -0.07 -3.07 0.00 0.00 178.15 173.85 3ika h LEU 760 N 0.50 0.16 -0.98 2.19 3.38 -1.06 -1.54 115.31 117.97 3ika h LEU 760 Ca 0.54 -0.20 0.06 0.00 0.09 0.00 0.00 57.88 58.37 3ika h LEU 760 Cb 1.20 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.84 3ika h LEU 760 CO -0.27 1.16 0.63 0.44 0.09 0.00 0.00 178.44 180.49 3ika h ASP 761 N 0.03 1.02 -0.72 -0.43 3.45 0.53 0.07 116.42 120.37 3ika h ASP 761 Ca -0.12 0.01 -0.02 0.00 0.43 0.00 0.00 57.03 57.33 3ika h ASP 761 Cb 1.89 -0.21 -0.03 0.00 -0.56 0.00 0.00 39.33 40.41 3ika h ASP 761 CO 0.15 0.66 0.36 -0.08 -1.57 0.00 0.00 179.24 178.75 3ika h GLU 762 N 1.16 1.04 -0.56 3.56 4.81 -0.62 -0.08 114.58 123.90 3ika h GLU 762 Ca 0.42 -0.14 -0.10 0.00 -0.13 0.00 0.00 59.36 59.41 3ika h GLU 762 Cb 0.14 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.30 3ika h GLU 762 CO -0.16 0.80 -0.04 0.00 -0.73 0.00 0.00 179.01 178.87 3ika h ALA 763 N 1.36 0.86 -0.15 2.92 0.00 -0.14 -2.12 119.26 121.98 3ika h ALA 763 Ca 0.26 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3ika h ALA 763 Cb 0.09 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3ika h ALA 763 CO -0.03 0.66 0.04 -0.92 0.00 0.00 0.00 179.25 179.00 3ika h TYR 764 N 0.91 0.25 -0.16 0.00 5.03 0.16 -0.76 116.97 122.40 3ika h TYR 764 Ca 0.16 -0.03 0.05 0.00 2.58 0.00 0.00 58.73 61.49 3ika h TYR 764 Cb 0.59 -0.07 -0.06 0.00 1.55 0.00 0.00 36.73 38.74 3ika h TYR 764 CO 0.04 0.38 -0.23 0.28 -1.32 0.00 0.00 178.16 177.31 3ika h VAL 765 N 0.06 0.44 -0.54 1.81 2.07 -1.05 -2.32 116.25 116.72 3ika h VAL 765 Ca 0.05 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.54 3ika h VAL 765 Cb 0.25 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.43 3ika h VAL 765 CO -0.00 0.00 0.21 0.24 0.02 0.00 0.00 177.57 178.04 3ika h MET 766 N -0.27 0.78 0.00 1.57 2.86 -1.19 -2.04 114.93 116.64 3ika h MET 766 Ca 0.11 -0.12 -0.07 0.00 -2.06 0.00 0.00 59.70 57.57 3ika h MET 766 Cb 0.44 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.95 3ika h MET 766 CO -0.32 0.64 -0.32 0.00 1.06 0.00 0.00 176.91 177.97 3ika h ALA 767 N 1.46 0.85 -0.00 6.32 0.00 -0.92 -2.97 119.26 124.01 3ika h ALA 767 Ca 0.18 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3ika h ALA 767 Cb 0.16 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3ika h ALA 767 CO -0.02 0.40 -0.01 0.43 0.00 0.00 0.00 179.25 180.05 3ika n SER 768 N -3.27 0.21 -4.45 0.00 7.64 -0.78 -4.65 113.62 108.31 3ika n SER 768 Ca 0.02 -0.81 -0.43 0.00 1.01 0.00 0.00 58.87 58.66 3ika n SER 768 Cb 0.59 -0.07 -0.04 0.00 -1.01 0.00 0.00 64.21 63.68 3ika n SER 768 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3ika s VAL 769 N -2.19 4.33 -0.30 0.44 1.01 -1.12 -4.97 120.40 117.60 3ika s VAL 769 Ca 0.40 -0.38 -0.05 0.00 0.00 0.00 0.00 61.98 61.95 3ika s VAL 769 Cb 0.21 -4.69 0.03 0.00 0.00 0.00 0.00 36.38 31.93 3ika s VAL 769 CO 0.40 -1.46 0.05 -0.62 0.00 0.00 0.00 175.10 173.47 3ika s ASP 770 N 3.69 5.00 -0.21 3.32 -1.08 -1.26 -4.78 116.67 121.36 3ika s ASP 770 Ca 0.22 -0.98 -0.27 0.00 -0.52 0.00 0.00 52.55 51.01 3ika s ASP 770 Cb -0.17 -1.81 0.09 0.00 -1.46 0.00 0.00 42.92 39.58 3ika s ASP 770 CO 0.10 -0.24 0.83 0.21 0.52 0.00 0.00 175.17 176.59 3ika s ASN 771 N 1.39 -0.60 0.15 -0.34 3.84 -1.26 -5.04 114.94 113.08 3ika s ASN 771 Ca -0.01 0.99 0.19 0.00 0.21 0.00 0.00 52.86 54.24 3ika s ASN 771 Cb -0.18 0.94 0.81 0.00 -0.55 0.00 0.00 41.25 42.27 3ika s ASN 771 CO 0.01 -0.32 1.59 -2.65 -2.79 0.00 0.00 177.10 172.93 3ika n PRO 772 N 1.88 0.11 -0.08 0.43 -0.02 -1.26 -3.20 135.00 132.86 3ika n PRO 772 Ca -0.14 0.37 0.09 0.00 -2.02 0.00 0.00 63.50 61.79 3ika n PRO 772 Cb 0.56 -1.72 0.13 0.00 -0.02 0.00 0.00 33.50 32.45 3ika n PRO 772 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3ika n HIS 773 N -1.92 0.00 -3.81 6.00 8.25 -1.26 -4.68 115.22 117.80 3ika n HIS 773 Ca 0.02 -0.93 -0.25 0.00 -0.26 0.00 0.00 57.72 56.31 3ika n HIS 773 Cb 0.19 -0.14 -0.17 0.00 1.12 0.00 0.00 29.99 30.99 3ika n HIS 773 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3ika s VAL 774 N -2.64 0.61 0.37 1.59 1.01 -1.19 -1.00 120.40 119.15 3ika s VAL 774 Ca 0.29 -0.14 -0.24 0.00 0.00 0.00 0.00 61.98 61.89 3ika s VAL 774 Cb 0.25 -0.79 -0.14 0.00 0.00 0.00 0.00 36.38 35.70 3ika s VAL 774 CO 0.03 0.20 0.57 0.00 0.00 0.00 0.00 175.10 175.90 3ika s ARG 776 N -1.45 2.69 -0.38 0.00 1.70 -1.26 -4.64 118.95 115.61 3ika s ARG 776 Ca 0.62 -0.96 -0.24 0.00 -0.47 0.00 0.00 55.73 54.69 3ika s ARG 776 Cb -0.66 -2.53 0.01 0.00 -0.57 0.00 0.00 34.95 31.20 3ika s ARG 776 CO 0.58 0.48 0.81 -1.17 -1.08 0.00 0.00 175.30 174.92 3ika s LEU 777 N -3.01 4.12 0.37 -1.89 2.96 -1.26 -2.52 118.68 117.45 3ika s LEU 777 Ca 0.29 0.33 0.20 0.00 -0.22 0.00 0.00 54.13 54.73 3ika s LEU 777 Cb -0.10 -3.06 0.44 0.00 0.50 0.00 0.00 46.19 43.98 3ika s LEU 777 CO 0.21 -0.78 1.62 -0.07 -1.32 0.00 0.00 176.35 176.02 3ika h LEU 778 N 9.85 0.00 0.00 -0.68 3.38 -1.12 -3.46 115.31 123.27 3ika h LEU 778 Ca -0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.73 3ika h LEU 778 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 3ika h LEU 778 CO 0.93 0.33 0.00 0.61 0.09 0.00 0.00 178.44 180.39 3ika n GLY 779 N 0.78 -2.08 3.12 0.83 0.00 -1.15 -4.38 105.19 102.31 3ika n GLY 779 Ca 0.02 -1.20 -0.10 0.00 0.00 0.00 0.00 46.02 44.74 3ika n GLY 779 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3ika s ILE 780 N -2.32 0.49 -0.17 -0.61 -4.36 0.31 -0.90 121.20 113.64 3ika s ILE 780 Ca 0.00 -1.75 0.01 0.00 -0.26 0.00 0.00 60.65 58.65 3ika s ILE 780 Cb 0.00 -1.44 0.03 0.00 1.25 0.00 0.00 42.46 42.30 3ika s ILE 780 CO 0.00 -0.84 -0.15 0.00 0.24 0.00 0.00 174.94 174.19 3ika s LEU 782 N 1.41 4.93 0.00 0.00 1.43 -1.26 -1.67 118.68 123.52 3ika s LEU 782 Ca 0.03 -1.01 0.03 0.00 -1.03 0.00 0.00 54.13 52.16 3ika s LEU 782 Cb -0.14 -2.44 -0.01 0.00 0.03 0.00 0.00 46.19 43.63 3ika s LEU 782 CO -0.11 -1.06 0.12 0.35 0.23 0.00 0.00 176.35 175.88 3ika n THR 783 N 5.69 0.00 -0.32 5.49 -2.24 -1.26 -4.97 114.28 116.68 3ika n THR 783 Ca -0.06 -1.71 0.30 0.00 -2.27 0.00 0.00 64.05 60.31 3ika n THR 783 Cb 0.45 0.64 0.66 0.00 -2.10 0.00 0.00 70.33 69.98 3ika n THR 783 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 3ika h SER 784 N 1.20 0.17 -3.66 3.42 0.87 -2.07 -3.26 113.55 110.22 3ika h SER 784 Ca -0.22 0.04 -0.68 0.00 -1.23 0.00 0.00 61.79 59.70 3ika h SER 784 Cb 0.87 0.01 -0.33 0.00 -0.44 0.00 0.00 62.40 62.51 3ika h SER 784 CO 0.35 0.02 -0.74 0.42 -0.53 0.00 0.00 176.83 176.35 3ika s THR 785 N -5.16 2.77 0.54 2.23 -4.23 -1.26 -4.96 115.64 105.57 3ika s THR 785 Ca -0.06 -1.28 -0.20 0.00 -1.18 0.00 0.00 61.69 58.97 3ika s THR 785 Cb 0.24 -2.51 -0.07 0.00 1.34 0.00 0.00 72.50 71.49 3ika s THR 785 CO 0.80 0.05 0.92 0.52 -0.54 0.00 0.00 174.62 176.37 3ika n VAL 786 N 4.61 3.08 -4.14 2.29 0.31 -1.23 -4.82 118.33 118.42 3ika n VAL 786 Ca -0.15 -0.50 -0.18 0.00 -0.01 0.00 0.00 64.34 63.50 3ika n VAL 786 Cb 0.45 -1.10 -0.16 0.00 -0.91 0.00 0.00 33.84 32.12 3ika n VAL 786 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 3ika s GLN 787 N -2.42 0.62 -0.10 5.55 -0.21 -0.67 -4.60 119.66 117.83 3ika s GLN 787 Ca 0.70 -0.11 -0.12 0.00 0.02 0.00 0.00 55.36 55.85 3ika s GLN 787 Cb -0.46 -0.65 -0.05 0.00 1.00 0.00 0.00 33.01 32.85 3ika s GLN 787 CO 0.51 -0.02 0.29 -0.51 -2.12 0.00 0.00 175.29 173.45 3ika s LEU 788 N 0.56 4.36 -0.33 2.90 1.43 -0.87 -0.87 118.68 125.86 3ika s LEU 788 Ca -0.07 0.65 0.00 0.00 -1.03 0.00 0.00 54.13 53.68 3ika s LEU 788 Cb -0.10 -2.37 0.08 0.00 0.03 0.00 0.00 46.19 43.83 3ika s LEU 788 CO -0.00 0.26 0.04 -0.63 0.23 0.00 0.00 176.35 176.24 3ika s ILE 789 N -0.44 2.75 0.23 -0.59 1.09 -0.08 -1.26 121.20 122.90 3ika s ILE 789 Ca 0.18 -1.79 -0.03 0.00 -1.10 0.00 0.00 60.65 57.92 3ika s ILE 789 Cb -0.14 -2.75 -0.05 0.00 -1.06 0.00 0.00 42.46 38.46 3ika s ILE 789 CO 0.07 -0.33 0.46 -0.32 -0.10 0.00 0.00 174.94 174.72 3ika s MET 790 N 1.12 3.58 0.48 2.79 -2.45 -0.30 -0.53 119.30 124.00 3ika s MET 790 Ca 0.01 -0.15 -0.19 0.00 -1.25 0.00 0.00 55.69 54.10 3ika s MET 790 Cb -0.20 -2.76 -0.09 0.00 1.25 0.00 0.00 34.83 33.03 3ika s MET 790 CO -0.04 0.33 0.98 1.14 1.05 0.00 0.00 175.02 178.48 3ika s GLN 791 N -3.32 4.02 0.43 4.11 -2.07 -1.05 -0.95 119.66 120.82 3ika s GLN 791 Ca 0.41 1.08 0.06 0.00 -1.82 0.00 0.00 55.36 55.10 3ika s GLN 791 Cb -0.11 -2.14 -0.06 0.00 -1.09 0.00 0.00 33.01 29.60 3ika s GLN 791 CO 0.29 -0.22 0.06 -1.17 -1.32 0.00 0.00 175.29 172.93 3ika s LEU 792 N -3.65 2.86 0.16 2.60 2.96 -1.06 -4.63 118.68 117.91 3ika s LEU 792 Ca 0.61 -1.34 0.03 0.00 -0.22 0.00 0.00 54.13 53.22 3ika s LEU 792 Cb -0.11 -1.01 -0.04 0.00 0.50 0.00 0.00 46.19 45.54 3ika s LEU 792 CO 0.22 -0.54 0.23 -0.04 -1.32 0.00 0.00 176.35 174.91 3ika s MET 793 N -3.79 3.24 0.13 1.98 -1.94 -1.26 -4.62 119.30 113.04 3ika s MET 793 Ca 0.33 -0.70 -0.25 0.00 -1.71 0.00 0.00 55.69 53.35 3ika s MET 793 Cb 0.07 -2.84 -0.04 0.00 2.01 0.00 0.00 34.83 34.03 3ika s MET 793 CO 0.17 0.51 1.63 -1.00 -0.01 0.00 0.00 175.02 176.32 3ika h PRO 794 N 2.22 -0.36 -7.32 2.03 0.13 -1.86 -3.38 132.00 123.47 3ika h PRO 794 Ca -0.48 0.02 -0.50 0.00 -0.87 0.00 0.00 66.00 64.17 3ika h PRO 794 Cb 1.20 0.08 0.05 0.00 0.13 0.00 0.00 31.00 32.46 3ika h PRO 794 CO 0.66 -0.24 0.41 -0.06 -0.23 0.00 0.00 178.00 178.55 3ika s PHE 795 N -6.06 3.56 0.00 1.56 0.08 -1.25 -4.21 117.98 111.65 3ika s PHE 795 Ca -0.15 1.33 0.00 0.00 0.12 0.00 0.00 56.93 58.23 3ika s PHE 795 Cb 0.10 -2.75 0.00 0.00 -0.57 0.00 0.00 43.02 39.80 3ika s PHE 795 CO 0.66 -0.66 0.00 0.41 -0.10 0.00 0.00 175.22 175.53 3ika n GLY 796 N -2.46 0.97 3.88 4.36 0.00 -1.26 -4.39 105.19 106.29 3ika n GLY 796 Ca 0.06 -0.67 -0.29 0.00 0.00 0.00 0.00 46.02 45.12 3ika n GLY 796 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ika h LEU 798 N 0.05 0.78 -0.18 0.00 5.85 -0.40 -1.62 115.31 119.79 3ika h LEU 798 Ca -0.46 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.14 3ika h LEU 798 Cb 1.20 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 42.02 3ika h LEU 798 CO 0.62 0.71 0.04 0.25 -0.34 0.00 0.00 178.44 179.73 3ika h LEU 799 N 0.83 0.28 -0.55 2.25 5.85 -1.76 0.36 115.31 122.57 3ika h LEU 799 Ca 0.20 -0.23 -0.13 0.00 0.84 0.00 0.00 57.88 58.56 3ika h LEU 799 Cb 0.20 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 3ika h LEU 799 CO -0.01 0.44 -0.22 0.44 -0.34 0.00 0.00 178.44 178.74 3ika h ASP 800 N 0.10 0.95 -0.45 1.25 3.32 -1.87 -2.48 116.42 117.24 3ika h ASP 800 Ca 0.06 -0.36 -0.02 0.00 0.02 0.00 0.00 57.03 56.72 3ika h ASP 800 Cb 0.27 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 3ika h ASP 800 CO 0.00 1.13 0.19 0.22 -1.72 0.00 0.00 179.24 179.06 3ika h TYR 801 N 0.80 0.68 -0.40 4.55 3.20 -0.86 -2.55 116.97 122.39 3ika h TYR 801 Ca 0.10 -0.05 -0.07 0.00 3.14 0.00 0.00 58.73 61.86 3ika h TYR 801 Cb 0.78 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.83 3ika h TYR 801 CO 0.05 0.58 -0.04 0.28 -1.64 0.00 0.00 178.16 177.39 3ika h VAL 802 N 0.58 1.23 -0.68 1.81 2.07 -0.16 -2.80 116.25 118.30 3ika h VAL 802 Ca 0.15 -0.97 -0.04 0.00 0.82 0.00 0.00 66.70 66.66 3ika h VAL 802 Cb 0.18 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 3ika h VAL 802 CO -0.01 0.33 0.27 0.03 0.02 0.00 0.00 177.57 178.21 3ika h ARG 803 N 0.62 1.01 -0.55 1.57 3.08 -1.17 -2.92 114.38 116.02 3ika h ARG 803 Ca 0.12 -0.18 -0.06 0.00 0.07 0.00 0.00 59.98 59.93 3ika h ARG 803 Cb 0.45 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.31 3ika h ARG 803 CO 0.02 0.84 0.10 0.93 -1.07 0.00 0.00 179.97 180.80 3ika h GLU 804 N 0.96 0.87 -0.49 0.04 5.08 -1.22 -3.25 114.58 116.58 3ika h GLU 804 Ca 0.23 -0.20 -0.22 0.00 -1.00 0.00 0.00 59.36 58.17 3ika h GLU 804 Cb 0.21 -0.12 -0.13 0.00 0.50 0.00 0.00 28.75 29.21 3ika h GLU 804 CO -0.02 0.81 0.10 0.72 -1.00 0.00 0.00 179.01 179.62 3ika n HIS 805 N -4.25 1.54 -0.31 4.33 8.25 -1.08 -4.74 115.22 118.96 3ika n HIS 805 Ca 0.04 -1.50 -0.00 0.00 -0.26 0.00 0.00 57.72 56.00 3ika n HIS 805 Cb 0.25 -0.56 0.13 0.00 1.12 0.00 0.00 29.99 30.93 3ika n HIS 805 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 3ika h LYS 806 N 1.27 0.97 -0.04 -0.41 1.57 -1.56 0.21 116.57 118.58 3ika h LYS 806 Ca 0.27 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 59.00 3ika h LYS 806 Cb 1.90 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 33.99 3ika h LYS 806 CO 0.52 0.64 0.06 -0.44 -0.57 0.00 0.00 179.45 179.66 3ika h ASP 807 N 1.00 0.00 -0.26 0.86 3.32 -1.89 -2.69 116.42 116.76 3ika h ASP 807 Ca 0.36 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.41 3ika h ASP 807 Cb 0.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.66 3ika h ASP 807 CO -0.15 0.00 0.00 -3.20 -1.72 0.00 0.00 179.24 174.17 3ika n ASN 808 N -3.73 2.75 -4.67 6.45 5.15 0.68 -4.98 115.26 116.91 3ika n ASN 808 Ca -0.02 -2.06 -0.38 0.00 -0.60 0.00 0.00 54.58 51.52 3ika n ASN 808 Cb 0.15 -0.20 -0.08 0.00 -0.53 0.00 0.00 39.78 39.12 3ika n ASN 808 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3ika s ILE 809 N -1.11 5.24 0.33 -1.44 1.01 -0.81 -5.03 121.20 119.39 3ika s ILE 809 Ca 0.19 0.57 0.04 0.00 0.00 0.00 0.00 60.65 61.45 3ika s ILE 809 Cb 0.11 -3.67 -0.02 0.00 0.01 0.00 0.00 42.46 38.89 3ika s ILE 809 CO 0.12 0.27 0.48 -0.83 0.00 0.00 0.00 174.94 174.98 3ika s GLY 810 N 1.06 1.45 0.36 6.18 0.00 -1.26 -5.00 107.32 110.11 3ika s GLY 810 Ca 0.16 -1.26 0.05 0.00 0.00 0.00 0.00 44.72 43.67 3ika s GLY 810 CO 0.07 -1.20 1.98 1.48 0.00 0.00 0.00 173.10 175.43 3ika h SER 811 N 0.87 0.66 -0.45 1.64 4.64 -1.93 -1.49 113.55 117.48 3ika h SER 811 Ca -0.48 -0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.78 3ika h SER 811 Cb 1.24 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 63.16 3ika h SER 811 CO 0.57 0.44 0.09 -0.61 -0.87 0.00 0.00 176.83 176.45 3ika h GLN 812 N 0.76 0.81 -0.14 4.77 4.15 -1.94 -2.72 115.11 120.80 3ika h GLN 812 Ca 0.28 -0.18 -0.02 0.00 0.77 0.00 0.00 58.65 59.50 3ika h GLN 812 Cb 0.14 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 27.72 3ika h GLN 812 CO -0.08 0.76 0.00 1.88 -1.93 0.00 0.00 178.83 179.45 3ika h TYR 813 N 0.77 0.27 -1.00 3.99 0.05 -1.67 -2.33 116.97 117.05 3ika h TYR 813 Ca 0.17 -0.05 0.20 0.00 0.05 0.00 0.00 58.73 59.09 3ika h TYR 813 Cb 0.34 -0.07 -0.10 0.00 1.01 0.00 0.00 36.73 37.90 3ika h TYR 813 CO 0.02 0.48 0.61 -0.07 -1.05 0.00 0.00 178.16 178.15 3ika h LEU 814 N -0.01 0.74 -0.02 3.88 3.38 -1.44 -0.32 115.31 121.52 3ika h LEU 814 Ca 0.04 0.09 -0.26 0.00 0.09 0.00 0.00 57.88 57.84 3ika h LEU 814 Cb 0.37 -0.04 0.02 0.00 0.09 0.00 0.00 40.66 41.10 3ika h LEU 814 CO 0.01 0.25 -1.07 -0.07 0.09 0.00 0.00 178.44 177.65 3ika h LEU 815 N 0.71 0.80 -0.56 1.67 3.38 -1.43 -2.70 115.31 117.19 3ika h LEU 815 Ca 0.57 -0.67 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 3ika h LEU 815 Cb 0.96 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 3ika h LEU 815 CO -0.37 1.47 0.11 0.78 0.09 0.00 0.00 178.44 180.52 3ika h ASN 816 N 0.32 0.88 -0.99 -0.43 2.35 -0.65 -1.55 115.58 115.51 3ika h ASN 816 Ca -0.13 -0.25 0.01 0.00 -0.55 0.00 0.00 56.30 55.38 3ika h ASN 816 Cb 1.72 -0.23 -0.05 0.00 0.05 0.00 0.00 38.32 39.81 3ika h ASN 816 CO 0.20 0.91 0.65 -0.50 -1.65 0.00 0.00 177.43 177.04 3ika h TRP 817 N 0.82 1.25 -0.75 1.19 6.55 -1.16 0.45 115.95 124.30 3ika h TRP 817 Ca 0.17 0.03 -0.06 0.00 0.95 0.00 0.00 58.89 59.98 3ika h TRP 817 Cb 0.39 -0.42 -0.03 0.00 -0.86 0.00 0.00 29.16 28.23 3ika h TRP 817 CO 0.03 0.79 0.24 0.00 -1.05 0.00 0.00 178.44 178.45 3ika h VAL 819 N 1.11 1.25 -0.23 0.00 2.07 0.62 -2.21 116.25 118.87 3ika h VAL 819 Ca 0.24 -0.89 -0.03 0.00 0.82 0.00 0.00 66.70 66.84 3ika h VAL 819 Cb 0.30 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 3ika h VAL 819 CO -0.01 0.34 0.04 1.56 0.02 0.00 0.00 177.57 179.51 3ika h GLN 820 N 0.92 0.38 -0.66 1.57 4.20 -0.08 -0.75 115.11 120.68 3ika h GLN 820 Ca 0.20 -0.10 0.09 0.00 0.06 0.00 0.00 58.65 58.90 3ika h GLN 820 Cb 0.33 -0.04 -0.07 0.00 0.30 0.00 0.00 27.48 27.99 3ika h GLN 820 CO -0.00 0.52 0.30 0.82 -0.67 0.00 0.00 178.83 179.80 3ika h ILE 821 N 0.19 0.82 -0.39 2.54 2.04 -1.36 0.20 117.51 121.54 3ika h ILE 821 Ca 0.07 -0.18 -0.05 0.00 1.00 0.00 0.00 64.86 65.70 3ika h ILE 821 Cb 0.33 0.25 -0.02 0.00 -0.74 0.00 0.00 36.82 36.64 3ika h ILE 821 CO 0.00 0.10 0.01 0.00 0.00 0.00 0.00 178.15 178.27 3ika h ALA 822 N 1.42 1.30 0.12 1.87 0.00 -1.09 -0.33 119.26 122.55 3ika h ALA 822 Ca 0.33 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3ika h ALA 822 Cb 0.36 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3ika h ALA 822 CO -0.28 0.48 -0.06 0.87 0.00 0.00 0.00 179.25 180.26 3ika h LYS 823 N 0.58 -0.16 -0.42 0.00 1.57 0.50 -0.13 116.57 118.52 3ika h LYS 823 Ca 0.12 0.01 0.09 0.00 -1.87 0.00 0.00 60.65 59.00 3ika h LYS 823 Cb 0.35 0.04 -0.09 0.00 0.08 0.00 0.00 32.23 32.61 3ika h LYS 823 CO 0.01 0.16 -0.18 0.78 -0.57 0.00 0.00 179.45 179.65 3ika h GLY 824 N -0.48 0.14 1.17 3.86 0.00 -1.01 0.21 103.07 106.96 3ika h GLY 824 Ca -0.02 0.24 -0.04 0.00 0.00 0.00 0.00 47.33 47.51 3ika h GLY 824 CO 0.03 -0.20 0.27 -0.33 0.00 0.00 0.00 176.54 176.31 3ika h MET 825 N -0.10 1.05 -0.39 4.80 2.86 -0.88 -2.11 114.93 120.17 3ika h MET 825 Ca 0.20 -0.19 -0.07 0.00 -2.06 0.00 0.00 59.70 57.59 3ika h MET 825 Cb 0.42 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.89 3ika h MET 825 CO -0.49 0.86 -0.04 -0.97 1.06 0.00 0.00 176.91 177.34 3ika h ASN 826 N 1.03 0.70 -0.89 1.22 -0.73 -0.22 -0.51 115.58 116.18 3ika h ASN 826 Ca 0.24 -0.33 0.19 0.00 1.87 0.00 0.00 56.30 58.27 3ika h ASN 826 Cb 0.21 -0.19 -0.11 0.00 0.27 0.00 0.00 38.32 38.50 3ika h ASN 826 CO -0.02 0.87 0.43 0.22 -0.37 0.00 0.00 177.43 178.56 3ika h TYR 827 N 0.52 0.73 -0.18 0.67 3.20 0.03 0.23 116.97 122.17 3ika h TYR 827 Ca 0.10 0.04 -0.13 0.00 3.14 0.00 0.00 58.73 61.88 3ika h TYR 827 Cb 0.53 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.62 3ika h TYR 827 CO 0.04 0.06 -0.39 -0.07 -1.64 0.00 0.00 178.16 176.16 3ika h LEU 828 N 0.51 0.66 -1.55 2.82 3.38 -1.03 -2.91 115.31 117.20 3ika h LEU 828 Ca 0.53 -0.56 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3ika h LEU 828 Cb 0.91 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.45 3ika h LEU 828 CO -0.46 1.10 0.30 -0.08 0.09 0.00 0.00 178.44 179.39 3ika h GLU 829 N 0.24 0.60 -0.50 1.13 4.81 0.09 0.15 114.58 121.11 3ika h GLU 829 Ca 0.00 -0.04 0.08 0.00 -0.13 0.00 0.00 59.36 59.27 3ika h GLU 829 Cb 1.00 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 30.22 3ika h GLU 829 CO 0.09 0.40 0.34 -0.44 -0.73 0.00 0.00 179.01 178.67 3ika h ASP 830 N 0.62 0.31 -0.52 1.04 3.32 -0.39 0.13 116.42 120.93 3ika h ASP 830 Ca 0.17 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.22 3ika h ASP 830 Cb -0.07 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.42 3ika h ASP 830 CO -0.04 0.20 0.00 0.54 -1.72 0.00 0.00 179.24 178.22 3ika n ARG 831 N -4.47 2.30 -2.77 3.56 1.74 0.31 -4.90 116.66 112.42 3ika n ARG 831 Ca 0.07 -2.01 -0.12 0.00 -0.77 0.00 0.00 57.85 55.03 3ika n ARG 831 Cb 0.32 -1.45 0.03 0.00 -1.02 0.00 0.00 32.46 30.34 3ika n ARG 831 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3ika n ARG 832 N 1.14 -3.02 -4.16 5.56 1.74 0.47 -4.85 116.66 113.54 3ika n ARG 832 Ca 0.19 0.46 -0.34 0.00 -0.77 0.00 0.00 57.85 57.39 3ika n ARG 832 Cb 0.48 -4.39 -0.11 0.00 -1.02 0.00 0.00 32.46 27.43 3ika n ARG 832 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3ika s LEU 833 N -3.89 3.60 -0.21 0.55 1.43 0.10 0.53 118.68 120.78 3ika s LEU 833 Ca 0.20 0.00 -0.11 0.00 -1.03 0.00 0.00 54.13 53.19 3ika s LEU 833 Cb -0.09 -1.89 -0.05 0.00 0.03 0.00 0.00 46.19 44.19 3ika s LEU 833 CO 0.25 0.18 0.18 -0.69 0.23 0.00 0.00 176.35 176.50 3ika s VAL 834 N 0.34 5.36 -0.03 -1.59 1.01 0.21 -3.90 120.40 121.79 3ika s VAL 834 Ca 0.00 0.27 -0.20 0.00 0.00 0.00 0.00 61.98 62.05 3ika s VAL 834 Cb -0.13 -3.52 -0.13 0.00 0.00 0.00 0.00 36.38 32.59 3ika s VAL 834 CO 0.01 0.38 0.85 -0.74 0.00 0.00 0.00 175.10 175.60 3ika h HIS 835 N 7.12 -0.36 0.00 5.22 2.76 -1.89 0.30 115.15 128.30 3ika h HIS 835 Ca -0.39 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 57.77 3ika h HIS 835 Cb 1.16 0.12 0.00 0.00 1.55 0.00 0.00 27.41 30.24 3ika h HIS 835 CO 0.63 -0.02 0.00 0.54 -1.30 0.00 0.00 177.93 177.78 3ika n ARG 836 N -5.04 0.00 -3.14 5.26 1.74 -1.26 -4.23 116.66 109.98 3ika n ARG 836 Ca -0.08 0.00 -0.18 0.00 -0.77 0.00 0.00 57.85 56.82 3ika n ARG 836 Cb 0.25 -1.19 -0.05 0.00 -1.02 0.00 0.00 32.46 30.45 3ika n ARG 836 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3ika n ASP 837 N 0.00 -1.52 -4.35 0.55 2.03 -1.26 -5.01 116.55 107.00 3ika n ASP 837 Ca 0.00 -2.62 -0.33 0.00 0.52 0.00 0.00 54.79 52.36 3ika n ASP 837 Cb 0.00 0.31 -0.15 0.00 -0.72 0.00 0.00 41.12 40.56 3ika n ASP 837 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 3ika s LEU 838 N 0.18 2.65 -0.05 -2.67 2.96 -1.26 -4.90 118.68 115.59 3ika s LEU 838 Ca 0.32 -0.36 -0.31 0.00 -0.22 0.00 0.00 54.13 53.57 3ika s LEU 838 Cb 0.05 -1.60 0.11 0.00 0.50 0.00 0.00 46.19 45.25 3ika s LEU 838 CO -0.15 0.15 1.03 0.00 -1.32 0.00 0.00 176.35 176.07 3ika s ALA 839 N 0.43 -1.92 0.54 5.97 0.00 -1.26 -4.78 121.76 120.75 3ika s ALA 839 Ca -0.10 1.07 0.21 0.00 0.00 0.00 0.00 51.96 53.14 3ika s ALA 839 Cb -0.16 0.26 1.46 0.00 0.00 0.00 0.00 23.12 24.69 3ika s ALA 839 CO 0.05 -0.73 2.18 0.00 0.00 0.00 0.00 175.76 177.26 3ika h ALA 840 N 2.00 1.86 0.00 0.00 0.00 -1.93 0.11 119.26 121.30 3ika h ALA 840 Ca -0.19 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3ika h ALA 840 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3ika h ALA 840 CO 0.27 -0.03 0.00 0.07 0.00 0.00 0.00 179.25 179.57 3ika h ARG 841 N 0.00 0.00 -0.28 0.00 0.11 -1.94 -1.23 114.38 111.03 3ika h ARG 841 Ca 0.01 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.09 3ika h ARG 841 Cb 0.04 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.12 3ika h ARG 841 CO -0.00 0.00 0.00 0.09 0.10 0.00 0.00 179.97 180.16 3ika n ASN 842 N -3.07 3.98 -4.26 0.08 3.02 0.37 -4.81 115.26 110.58 3ika n ASN 842 Ca -0.01 -3.03 -0.35 0.00 -0.03 0.00 0.00 54.58 51.16 3ika n ASN 842 Cb 0.19 -0.56 -0.14 0.00 -0.61 0.00 0.00 39.78 38.66 3ika n ASN 842 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3ika s VAL 843 N -2.84 3.13 -0.03 2.41 1.01 -0.48 -1.81 120.40 121.79 3ika s VAL 843 Ca 0.43 -0.74 -0.02 0.00 0.00 0.00 0.00 61.98 61.65 3ika s VAL 843 Cb 0.35 -2.49 -0.04 0.00 0.00 0.00 0.00 36.38 34.20 3ika s VAL 843 CO 0.09 0.32 0.12 -0.76 0.00 0.00 0.00 175.10 174.87 3ika s LEU 844 N 1.41 4.11 -0.55 3.92 1.43 0.34 0.08 118.68 129.41 3ika s LEU 844 Ca 0.03 0.26 -0.17 0.00 -1.03 0.00 0.00 54.13 53.23 3ika s LEU 844 Cb -0.15 -2.31 0.10 0.00 0.03 0.00 0.00 46.19 43.86 3ika s LEU 844 CO -0.04 0.30 0.58 -0.69 0.23 0.00 0.00 176.35 176.73 3ika s VAL 845 N -1.18 5.02 -0.02 -1.59 1.01 -0.97 -0.61 120.40 122.05 3ika s VAL 845 Ca 0.22 -1.11 -0.25 0.00 0.00 0.00 0.00 61.98 60.84 3ika s VAL 845 Cb -0.12 -4.36 -0.20 0.00 0.00 0.00 0.00 36.38 31.70 3ika s VAL 845 CO 0.13 -0.92 1.25 0.50 0.00 0.00 0.00 175.10 176.06 3ika h LYS 846 N 9.00 0.07 -4.02 2.72 3.64 -1.65 -3.34 116.57 122.99 3ika h LYS 846 Ca -0.29 -0.04 -0.12 0.00 -1.27 0.00 0.00 60.65 58.92 3ika h LYS 846 Cb 1.10 0.00 -0.13 0.00 -0.41 0.00 0.00 32.23 32.79 3ika h LYS 846 CO 1.03 0.58 -0.42 0.95 -2.27 0.00 0.00 179.45 179.32 3ika s THR 847 N -4.13 0.09 0.60 1.00 -4.23 -1.21 -4.73 115.64 103.03 3ika s THR 847 Ca -0.16 -1.51 0.29 0.00 -1.18 0.00 0.00 61.69 59.13 3ika s THR 847 Cb 0.02 -1.84 0.36 0.00 1.34 0.00 0.00 72.50 72.38 3ika s THR 847 CO 0.69 -0.39 1.96 -0.65 -0.54 0.00 0.00 174.62 175.69 3ika h PRO 848 N 2.66 0.00 -0.46 3.99 0.11 -2.01 0.46 132.00 136.76 3ika h PRO 848 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 3ika h PRO 848 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3ika h PRO 848 CO 0.52 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.31 3ika n GLN 849 N -3.59 3.18 -3.89 1.05 10.64 -1.26 -4.90 117.38 118.62 3ika n GLN 849 Ca 0.05 -2.57 -0.18 0.00 -1.83 0.00 0.00 57.00 52.47 3ika n GLN 849 Cb 0.52 -1.64 -0.16 0.00 -0.86 0.00 0.00 30.24 28.10 3ika n GLN 849 CO 0.00 0.00 0.00 -1.58 -1.83 0.00 0.00 177.06 173.65 3ika s HIS 850 N -1.71 0.33 0.05 2.61 2.46 0.15 -5.01 115.29 114.18 3ika s HIS 850 Ca 0.39 0.00 0.05 0.00 0.47 0.00 0.00 55.06 55.98 3ika s HIS 850 Cb 0.25 -0.46 -0.02 0.00 -0.13 0.00 0.00 32.58 32.22 3ika s HIS 850 CO 0.19 -0.16 -0.15 0.14 -2.47 0.00 0.00 174.74 172.29 3ika s VAL 851 N 1.22 1.16 -0.02 0.89 -7.23 -1.26 -1.73 120.40 113.43 3ika s VAL 851 Ca -0.07 -1.14 0.02 0.00 -1.81 0.00 0.00 61.98 58.98 3ika s VAL 851 Cb -0.13 -1.07 0.00 0.00 0.56 0.00 0.00 36.38 35.74 3ika s VAL 851 CO -0.02 -0.07 -0.07 -0.54 -0.31 0.00 0.00 175.10 174.08 3ika s LYS 852 N -1.39 0.80 0.08 4.82 1.02 0.22 -4.33 119.74 120.96 3ika s LYS 852 Ca 0.01 -0.24 -0.04 0.00 0.02 0.00 0.00 55.97 55.72 3ika s LYS 852 Cb -0.09 -0.77 -0.05 0.00 -0.52 0.00 0.00 37.83 36.41 3ika s LYS 852 CO 0.02 0.08 0.30 0.96 -0.92 0.00 0.00 175.35 175.79 3ika s ILE 853 N 0.23 5.27 0.35 2.17 -4.36 -0.17 0.13 121.20 124.82 3ika s ILE 853 Ca -0.03 -0.06 -0.26 0.00 -0.26 0.00 0.00 60.65 60.04 3ika s ILE 853 Cb -0.08 -3.61 -0.09 0.00 1.25 0.00 0.00 42.46 39.93 3ika s ILE 853 CO 0.00 0.15 1.06 0.42 0.24 0.00 0.00 174.94 176.81 3ika s THR 854 N -1.52 3.67 -0.40 8.37 -4.23 -0.75 -0.94 115.64 119.83 3ika s THR 854 Ca 0.36 1.42 0.05 0.00 -1.18 0.00 0.00 61.69 62.33 3ika s THR 854 Cb -0.13 -3.80 0.46 0.00 1.34 0.00 0.00 72.50 70.37 3ika s THR 854 CO 0.24 0.15 1.46 -0.90 -0.54 0.00 0.00 174.62 175.02 3ika n ASP 855 N 0.42 5.54 -4.83 3.99 3.85 -1.26 -4.88 116.55 119.37 3ika n ASP 855 Ca 0.03 -3.77 -0.35 0.00 -0.71 0.00 0.00 54.79 49.99 3ika n ASP 855 Cb 0.48 -0.55 -0.06 0.00 -1.35 0.00 0.00 41.12 39.64 3ika n ASP 855 CO 0.00 0.00 0.00 -0.36 -1.01 0.00 0.00 177.20 175.83 3ika s PHE 856 N -3.64 3.59 -1.47 2.11 2.99 -1.26 -3.86 117.98 116.44 3ika s PHE 856 Ca 0.55 1.22 0.00 0.00 0.00 0.00 0.00 56.93 58.69 3ika s PHE 856 Cb 0.44 -2.50 0.00 0.00 0.00 0.00 0.00 43.02 40.96 3ika s PHE 856 CO 0.02 0.34 0.00 0.41 -0.00 0.00 0.00 175.22 175.99 3ika n GLY 857 N 0.57 1.43 3.67 4.36 0.00 -1.26 -4.84 105.19 109.11 3ika n GLY 857 Ca -0.02 -0.28 -0.46 0.00 0.00 0.00 0.00 46.02 45.26 3ika n GLY 857 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ika n LEU 858 N -1.58 3.21 -4.52 0.99 4.77 -1.25 -4.73 117.00 113.90 3ika n LEU 858 Ca -0.14 1.07 -0.34 0.00 -0.03 0.00 0.00 56.01 56.57 3ika n LEU 858 Cb 0.49 -1.44 -0.12 0.00 -2.33 0.00 0.00 43.42 40.02 3ika n LEU 858 CO 0.21 -0.22 -0.33 0.00 -1.33 0.00 0.00 177.39 175.72 3ika s ALA 859 N 1.18 3.08 -0.11 -1.18 0.00 0.09 -4.92 121.76 119.90 3ika s ALA 859 Ca 0.79 -0.82 -0.21 0.00 0.00 0.00 0.00 51.96 51.72 3ika s ALA 859 Cb -0.66 -1.64 -0.04 0.00 0.00 0.00 0.00 23.12 20.78 3ika s ALA 859 CO 0.38 0.17 0.61 0.21 0.00 0.00 0.00 175.76 177.13 3ika s LYS 860 N 0.42 4.36 0.00 0.00 2.20 -1.26 0.64 119.74 126.10 3ika s LYS 860 Ca -0.02 0.67 0.00 0.00 -0.36 0.00 0.00 55.97 56.26 3ika s LYS 860 Cb -0.14 -3.47 0.00 0.00 -1.51 0.00 0.00 37.83 32.71 3ika s LYS 860 CO 0.02 0.04 0.00 1.28 -0.36 0.00 0.00 175.35 176.33 3ika n LEU 861 N 3.98 0.00 -0.07 5.43 4.77 0.19 -4.93 117.00 126.37 3ika n LEU 861 Ca -0.03 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.91 3ika n LEU 861 Cb 0.51 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.45 3ika n LEU 861 CO 0.45 -0.39 -1.01 0.00 -1.33 0.00 0.00 177.39 175.11 3ika n ALA 864 N -3.00 1.90 0.29 -1.18 0.00 -1.26 -4.93 120.51 112.34 3ika n ALA 864 Ca 0.00 -1.03 0.03 0.00 0.00 0.00 0.00 53.44 52.44 3ika n ALA 864 Cb 0.00 -0.33 0.02 0.00 0.00 0.00 0.00 19.45 19.14 3ika n ALA 864 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3ika n GLU 865 N -2.56 0.71 -1.92 0.00 0.28 -1.26 -4.99 120.64 110.90 3ika n GLU 865 Ca -0.23 -0.79 -0.41 0.00 -0.16 0.00 0.00 57.16 55.58 3ika n GLU 865 Cb 0.95 -1.09 -0.01 0.00 1.43 0.00 0.00 31.44 32.72 3ika n GLU 865 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 3ika s GLU 866 N -0.74 4.21 0.00 3.44 0.41 -1.26 -4.86 118.70 119.90 3ika s GLU 866 Ca 0.07 2.43 0.04 0.00 -0.41 0.00 0.00 54.97 57.10 3ika s GLU 866 Cb 0.06 -3.02 0.03 0.00 -1.78 0.00 0.00 34.13 29.42 3ika s GLU 866 CO 0.11 -0.42 0.65 1.17 -0.49 0.00 0.00 175.26 176.28 3ika n LYS 867 N 0.97 -0.22 -3.58 1.61 4.81 -1.26 -4.98 118.16 115.51 3ika n LYS 867 Ca 0.02 -0.79 -0.11 0.00 -0.87 0.00 0.00 58.31 56.56 3ika n LYS 867 Cb 0.40 -1.07 -0.03 0.00 0.02 0.00 0.00 35.03 34.35 3ika n LYS 867 CO 0.00 0.00 0.00 -1.83 1.17 0.00 0.00 177.40 176.74 3ika s GLU 868 N -0.36 1.33 0.06 1.64 -1.05 -1.26 -4.61 118.70 114.45 3ika s GLU 868 Ca 0.04 -0.66 -0.04 0.00 -0.15 0.00 0.00 54.97 54.16 3ika s GLU 868 Cb 0.03 0.56 -0.02 0.00 -0.44 0.00 0.00 34.13 34.26 3ika s GLU 868 CO 0.05 -0.58 0.06 -0.47 0.95 0.00 0.00 175.26 175.27 3ika s TYR 869 N -3.81 0.34 0.30 4.83 5.04 -1.00 -4.94 117.35 118.11 3ika s TYR 869 Ca 0.04 -0.80 0.08 0.00 -2.44 0.00 0.00 57.07 53.96 3ika s TYR 869 Cb -0.01 -0.24 -0.06 0.00 0.35 0.00 0.00 41.96 42.00 3ika s TYR 869 CO -0.08 -0.42 -0.08 -1.01 -1.34 0.00 0.00 175.55 172.62 3ika s HIS 870 N -3.57 2.13 0.17 4.97 3.76 -1.26 -0.03 115.29 121.46 3ika s HIS 870 Ca 0.03 -0.60 0.10 0.00 -0.15 0.00 0.00 55.06 54.44 3ika s HIS 870 Cb 0.05 -1.19 -0.04 0.00 1.11 0.00 0.00 32.58 32.50 3ika s HIS 870 CO -0.09 0.42 -0.23 0.00 -0.85 0.00 0.00 174.74 173.99 3ika s ALA 871 N -2.84 2.32 0.81 -1.40 0.00 -1.15 -4.99 121.76 114.51 3ika s ALA 871 Ca 0.30 -1.54 -0.10 0.00 0.00 0.00 0.00 51.96 50.62 3ika s ALA 871 Cb 0.03 -0.29 0.12 0.00 0.00 0.00 0.00 23.12 22.97 3ika s ALA 871 CO 0.14 0.39 1.15 -1.83 0.00 0.00 0.00 175.76 175.61 3ika s GLU 872 N -2.54 1.60 0.15 0.00 4.04 -1.26 -4.96 118.70 115.73 3ika s GLU 872 Ca 0.17 -0.30 -0.30 0.00 0.04 0.00 0.00 54.97 54.58 3ika s GLU 872 Cb -0.08 -2.03 -0.08 0.00 0.02 0.00 0.00 34.13 31.96 3ika s GLU 872 CO 0.08 -1.72 1.29 0.20 -1.84 0.00 0.00 175.26 173.27 3ika s GLY 873 N -4.67 2.34 0.24 -3.83 0.00 -1.26 -4.93 107.32 95.21 3ika s GLY 873 Ca 0.66 1.04 -0.21 0.00 0.00 0.00 0.00 44.72 46.21 3ika s GLY 873 CO 0.48 2.11 0.96 -0.32 0.00 0.00 0.00 173.10 176.33 3ika s GLY 874 N 0.66 0.15 0.26 0.20 0.00 -1.26 -4.89 107.32 102.43 3ika s GLY 874 Ca 0.59 -0.40 -0.30 0.00 0.00 0.00 0.00 44.72 44.61 3ika s GLY 874 CO 0.34 1.39 1.24 1.25 0.00 0.00 0.00 173.10 177.32 3ika s LYS 875 N -2.35 4.46 0.04 2.90 2.20 -1.26 -4.66 119.74 121.06 3ika s LYS 875 Ca 0.19 2.01 0.00 0.00 -0.36 0.00 0.00 55.97 57.81 3ika s LYS 875 Cb -0.03 -3.16 -0.03 0.00 -1.51 0.00 0.00 37.83 33.10 3ika s LYS 875 CO 0.07 -0.09 -0.04 0.14 -0.36 0.00 0.00 175.35 175.07 3ika s VAL 876 N -0.61 0.23 -1.29 4.02 -7.23 -1.26 -2.47 120.40 111.80 3ika s VAL 876 Ca 0.51 -1.26 -0.14 0.00 -1.81 0.00 0.00 61.98 59.27 3ika s VAL 876 Cb -0.36 -0.77 0.12 0.00 0.56 0.00 0.00 36.38 35.94 3ika s VAL 876 CO 0.43 -0.66 1.72 -0.81 -0.31 0.00 0.00 175.10 175.48 3ika n PRO 877 N 1.04 3.30 -0.24 4.82 -0.04 -1.26 -4.81 135.00 137.81 3ika n PRO 877 Ca -0.20 -3.45 0.16 0.00 -0.04 0.00 0.00 63.50 59.97 3ika n PRO 877 Cb 0.57 -3.18 0.47 0.00 -0.04 0.00 0.00 33.50 31.32 3ika n PRO 877 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 3ika h ILE 878 N 4.62 0.74 0.00 0.52 5.03 -1.94 -0.49 117.51 125.99 3ika h ILE 878 Ca 0.41 -0.17 0.00 0.00 -0.12 0.00 0.00 64.86 64.98 3ika h ILE 878 Cb 0.79 0.20 0.00 0.00 -3.03 0.00 0.00 36.82 34.78 3ika h ILE 878 CO 1.47 0.09 0.00 0.29 -0.68 0.00 0.00 178.15 179.32 3ika n LYS 879 N -4.53 0.02 0.00 2.37 5.02 -1.26 -2.05 118.16 117.73 3ika n LYS 879 Ca 0.18 0.15 0.04 0.00 -2.02 0.00 0.00 58.31 56.66 3ika n LYS 879 Cb 0.60 -1.53 -0.01 0.00 -0.02 0.00 0.00 35.03 34.07 3ika n LYS 879 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 3ika n TRP 880 N -1.57 0.00 -3.39 2.13 8.01 -0.24 -4.99 117.44 117.39 3ika n TRP 880 Ca 0.05 0.00 -0.36 0.00 -1.31 0.00 0.00 57.50 55.88 3ika n TRP 880 Cb 0.26 0.00 -0.06 0.00 -2.01 0.00 0.00 31.31 29.50 3ika n TRP 880 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.69 175.04 3ika s MET 881 N -1.33 3.97 0.87 -0.99 1.00 -0.87 -3.91 119.30 118.03 3ika s MET 881 Ca 0.06 0.47 -0.11 0.00 0.00 0.00 0.00 55.69 56.11 3ika s MET 881 Cb 0.06 -3.01 0.11 0.00 0.00 0.00 0.00 34.83 31.99 3ika s MET 881 CO 0.23 0.54 1.11 0.00 0.00 0.00 0.00 175.02 176.90 3ika s ALA 882 N -1.37 1.69 0.24 3.03 0.00 -1.26 -4.80 121.76 119.30 3ika s ALA 882 Ca 0.34 0.31 -0.07 0.00 0.00 0.00 0.00 51.96 52.55 3ika s ALA 882 Cb -0.16 -3.32 0.24 0.00 0.00 0.00 0.00 23.12 19.88 3ika s ALA 882 CO 0.18 -2.35 1.91 1.25 0.00 0.00 0.00 175.76 176.76 3ika h LEU 883 N -1.56 1.13 -1.67 0.00 5.85 -1.93 -0.90 115.31 116.22 3ika h LEU 883 Ca -0.45 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.20 3ika h LEU 883 Cb 1.26 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 42.00 3ika h LEU 883 CO 0.48 0.83 0.00 -0.33 -0.34 0.00 0.00 178.44 179.09 3ika h GLU 884 N 1.32 0.20 0.17 1.25 5.08 -1.91 -1.40 114.58 119.28 3ika h GLU 884 Ca 0.35 -0.03 -0.31 0.00 -1.00 0.00 0.00 59.36 58.38 3ika h GLU 884 Cb -0.12 -0.04 0.03 0.00 0.50 0.00 0.00 28.75 29.12 3ika h GLU 884 CO -0.07 0.22 -1.32 0.77 -1.00 0.00 0.00 179.01 177.61 3ika h SER 885 N 0.20 0.82 -0.39 1.42 0.02 -1.29 -0.59 113.55 113.75 3ika h SER 885 Ca 0.05 -0.80 -0.09 0.00 -0.84 0.00 0.00 61.79 60.11 3ika h SER 885 Cb 0.14 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.40 3ika h SER 885 CO 0.00 1.61 -0.06 0.40 -1.14 0.00 0.00 176.83 177.64 3ika h ILE 886 N 0.21 1.25 0.07 3.27 2.04 -0.53 0.86 117.51 124.68 3ika h ILE 886 Ca -0.20 -1.11 -0.22 0.00 1.00 0.00 0.00 64.86 64.32 3ika h ILE 886 Cb 2.00 0.96 -0.01 0.00 -0.74 0.00 0.00 36.82 39.04 3ika h ILE 886 CO 0.25 0.39 -1.14 -0.07 0.00 0.00 0.00 178.15 177.57 3ika h LEU 887 N 0.74 0.25 -2.72 1.44 3.38 -1.32 -3.40 115.31 113.68 3ika h LEU 887 Ca 0.13 -0.81 0.00 0.00 0.09 0.00 0.00 57.88 57.30 3ika h LEU 887 Cb 0.54 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.21 3ika h LEU 887 CO 0.03 1.49 0.00 1.41 0.09 0.00 0.00 178.44 181.46 3ika n HIS 888 N -4.14 0.12 -3.67 1.13 8.25 -0.24 -4.98 115.22 111.69 3ika n HIS 888 Ca -0.24 -0.43 -0.28 0.00 -0.26 0.00 0.00 57.72 56.51 3ika n HIS 888 Cb 0.79 -0.04 0.01 0.00 1.12 0.00 0.00 29.99 31.87 3ika n HIS 888 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 3ika n ARG 889 N -0.14 -4.51 -3.99 -0.41 3.00 0.29 -4.88 116.66 106.02 3ika n ARG 889 Ca 0.03 0.56 -0.35 0.00 -0.00 0.00 0.00 57.85 58.09 3ika n ARG 889 Cb 0.27 -5.38 -0.08 0.00 0.00 0.00 0.00 32.46 27.27 3ika n ARG 889 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.63 178.59 3ika s ILE 890 N -3.16 5.04 -0.28 5.15 -4.36 -1.21 -2.93 121.20 119.45 3ika s ILE 890 Ca 0.55 0.04 -0.00 0.00 -0.26 0.00 0.00 60.65 60.98 3ika s ILE 890 Cb -0.28 -3.22 0.05 0.00 1.25 0.00 0.00 42.46 40.25 3ika s ILE 890 CO 0.68 0.54 -0.05 -0.31 0.24 0.00 0.00 174.94 176.04 3ika s TYR 891 N -0.33 3.23 0.44 1.37 1.51 0.96 -3.75 117.35 120.78 3ika s TYR 891 Ca 0.10 -1.97 0.07 0.00 -1.01 0.00 0.00 57.07 54.26 3ika s TYR 891 Cb -0.12 -2.04 -0.01 0.00 -0.11 0.00 0.00 41.96 39.68 3ika s TYR 891 CO 0.01 -0.82 0.38 -0.08 -1.11 0.00 0.00 175.55 173.93 3ika s THR 892 N 1.22 2.49 0.23 -0.71 -1.32 -1.26 -2.37 115.64 113.91 3ika s THR 892 Ca -0.06 -1.38 -0.06 0.00 -1.21 0.00 0.00 61.69 58.99 3ika s THR 892 Cb -0.19 -2.87 0.15 0.00 -1.51 0.00 0.00 72.50 68.08 3ika s THR 892 CO -0.03 0.00 1.78 0.45 -2.21 0.00 0.00 174.62 174.61 3ika h HIS 893 N 1.00 1.10 0.00 9.09 3.86 -1.94 -1.21 115.15 127.05 3ika h HIS 893 Ca -0.41 -0.10 -0.01 0.00 -1.16 0.00 0.00 60.37 58.70 3ika h HIS 893 Cb 1.27 -0.32 -0.00 0.00 1.06 0.00 0.00 27.41 29.42 3ika h HIS 893 CO 0.58 0.87 -0.03 1.96 0.86 0.00 0.00 177.93 182.16 3ika h GLN 894 N 1.03 0.00 -0.30 2.45 1.08 -1.94 0.21 115.11 117.65 3ika h GLN 894 Ca 0.23 0.00 -0.14 0.00 -1.45 0.00 0.00 58.65 57.28 3ika h GLN 894 Cb 0.28 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.70 3ika h GLN 894 CO -0.01 0.03 -0.40 1.03 -0.95 0.00 0.00 178.83 178.53 3ika h SER 895 N 0.00 0.76 -0.76 1.46 0.87 -1.61 -2.78 113.55 111.50 3ika h SER 895 Ca -0.00 -0.35 -0.03 0.00 -1.23 0.00 0.00 61.79 60.19 3ika h SER 895 Cb 0.08 -0.21 -0.04 0.00 -0.44 0.00 0.00 62.40 61.79 3ika h SER 895 CO 0.00 1.07 0.38 0.44 -0.53 0.00 0.00 176.83 178.19 3ika h ASP 896 N 0.58 0.99 -0.93 6.23 3.32 -0.19 -2.51 116.42 123.91 3ika h ASP 896 Ca 0.05 -0.11 0.01 0.00 0.02 0.00 0.00 57.03 57.00 3ika h ASP 896 Cb 0.94 -0.25 -0.05 0.00 0.22 0.00 0.00 39.33 40.19 3ika h ASP 896 CO 0.09 0.83 0.62 0.58 -1.72 0.00 0.00 179.24 179.63 3ika h VAL 897 N 1.09 1.24 -0.32 -1.35 2.07 -1.14 0.24 116.25 118.08 3ika h VAL 897 Ca 0.27 -0.43 0.01 0.00 0.82 0.00 0.00 66.70 67.37 3ika h VAL 897 Cb 0.10 -0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 29.71 3ika h VAL 897 CO -0.04 0.23 0.18 -0.25 0.02 0.00 0.00 177.57 177.71 3ika h TRP 898 N 1.26 0.33 -0.90 1.57 2.91 -1.29 0.21 115.95 120.04 3ika h TRP 898 Ca 0.34 0.01 0.07 0.00 1.13 0.00 0.00 58.89 60.44 3ika h TRP 898 Cb -0.15 -0.10 -0.06 0.00 -0.51 0.00 0.00 29.16 28.34 3ika h TRP 898 CO -0.01 0.19 0.59 0.77 -1.03 0.00 0.00 178.44 178.95 3ika h SER 899 N 0.37 0.89 -0.89 2.65 0.02 -0.80 0.34 113.55 116.13 3ika h SER 899 Ca 0.13 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 3ika h SER 899 Cb 0.01 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 62.33 3ika h SER 899 CO -0.07 0.56 0.57 0.22 -1.14 0.00 0.00 176.83 176.97 3ika h TYR 900 N 1.01 1.14 -0.31 3.45 3.20 0.10 0.36 116.97 125.92 3ika h TYR 900 Ca 0.39 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.26 3ika h TYR 900 Cb 0.24 -0.38 -0.01 0.00 1.54 0.00 0.00 36.73 38.11 3ika h TYR 900 CO -0.00 0.74 0.12 0.78 -1.64 0.00 0.00 178.16 178.16 3ika h GLY 901 N 1.21 0.50 1.60 1.82 0.00 0.26 -1.07 103.07 107.38 3ika h GLY 901 Ca 0.32 -0.27 0.01 0.00 0.00 0.00 0.00 47.33 47.39 3ika h GLY 901 CO -0.07 0.26 0.25 -2.08 0.00 0.00 0.00 176.54 174.90 3ika h VAL 902 N 0.35 1.08 0.49 4.60 2.07 -0.22 -1.10 116.25 123.52 3ika h VAL 902 Ca 0.10 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 3ika h VAL 902 Cb 0.19 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 3ika h VAL 902 CO -0.01 0.09 -0.23 0.74 0.02 0.00 0.00 177.57 178.18 3ika h THR 903 N 0.49 0.49 -0.99 2.57 2.02 0.54 -2.54 112.91 115.49 3ika h THR 903 Ca 0.14 -0.22 0.19 0.00 0.77 0.00 0.00 66.41 67.29 3ika h THR 903 Cb -0.01 0.59 -0.11 0.00 -1.74 0.00 0.00 68.15 66.88 3ika h THR 903 CO -0.03 0.04 0.59 0.58 0.37 0.00 0.00 175.52 177.06 3ika h VAL 904 N -0.79 0.70 -0.46 3.16 2.07 -0.86 0.14 116.25 120.21 3ika h VAL 904 Ca -0.07 -0.25 -0.04 0.00 0.82 0.00 0.00 66.70 67.16 3ika h VAL 904 Cb 0.56 -0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.21 3ika h VAL 904 CO 0.11 0.14 0.12 -0.25 0.02 0.00 0.00 177.57 177.71 3ika h TRP 905 N 0.74 0.69 -0.40 1.57 7.01 -0.93 0.29 115.95 124.92 3ika h TRP 905 Ca 0.57 -0.05 -0.08 0.00 2.11 0.00 0.00 58.89 61.44 3ika h TRP 905 Cb 0.88 -0.21 -0.01 0.00 -2.10 0.00 0.00 29.16 27.72 3ika h TRP 905 CO -0.02 0.59 -0.07 0.93 -2.79 0.00 0.00 178.44 177.08 3ika h GLU 906 N 0.67 0.75 -0.12 2.65 5.08 -0.61 1.00 114.58 124.00 3ika h GLU 906 Ca 0.15 -0.28 0.01 0.00 -1.00 0.00 0.00 59.36 58.25 3ika h GLU 906 Cb 0.23 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 3ika h GLU 906 CO -0.01 0.88 0.03 -0.07 -1.00 0.00 0.00 179.01 178.84 3ika h LEU 907 N 0.57 0.01 -0.44 1.33 3.38 -0.10 1.35 115.31 121.42 3ika h LEU 907 Ca 0.10 0.02 -0.15 0.00 0.09 0.00 0.00 57.88 57.94 3ika h LEU 907 Cb 0.58 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 3ika h LEU 907 CO 0.03 0.03 -0.34 0.24 0.09 0.00 0.00 178.44 178.49 3ika h MET 908 N 0.08 0.94 0.00 1.13 2.86 -0.47 -1.99 114.93 117.48 3ika h MET 908 Ca 0.05 -0.47 0.00 0.00 -2.06 0.00 0.00 59.70 57.23 3ika h MET 908 Cb 0.05 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.71 3ika h MET 908 CO -0.07 1.13 0.00 0.25 1.06 0.00 0.00 176.91 179.28 3ika n THR 909 N -4.07 0.00 -3.48 2.22 -2.24 0.34 -4.78 114.28 102.27 3ika n THR 909 Ca -0.01 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.56 3ika n THR 909 Cb 0.52 -0.23 0.08 0.00 -2.10 0.00 0.00 70.33 68.60 3ika n THR 909 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3ika n PHE 910 N -0.69 -2.53 -1.96 4.78 3.72 -0.38 -3.94 117.46 116.46 3ika n PHE 910 Ca 0.08 0.94 0.00 0.00 -0.05 0.00 0.00 57.45 58.43 3ika n PHE 910 Cb 0.04 -4.87 0.00 0.00 -0.94 0.00 0.00 39.48 33.71 3ika n PHE 910 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ika n GLY 911 N -1.68 0.70 3.96 1.37 0.00 0.45 -4.21 105.19 105.79 3ika n GLY 911 Ca -0.08 -0.50 -0.22 0.00 0.00 0.00 0.00 46.02 45.21 3ika n GLY 911 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ika s SER 912 N -2.81 5.23 -0.23 1.61 0.01 -1.25 -4.89 113.70 111.36 3ika s SER 912 Ca 0.00 0.11 -0.11 0.00 1.31 0.00 0.00 55.95 57.26 3ika s SER 912 Cb 0.00 -0.97 -0.05 0.00 0.21 0.00 0.00 66.02 65.21 3ika s SER 912 CO 0.00 -1.20 0.17 -0.54 0.41 0.00 0.00 173.24 172.08 3ika s LYS 913 N -4.85 4.09 0.15 12.44 1.02 -1.26 -4.80 119.74 126.53 3ika s LYS 913 Ca 0.57 -0.24 -0.31 0.00 0.02 0.00 0.00 55.97 56.01 3ika s LYS 913 Cb -0.10 -3.53 -0.09 0.00 -0.52 0.00 0.00 37.83 33.59 3ika s LYS 913 CO 0.40 0.08 1.48 -2.14 -0.92 0.00 0.00 175.35 174.25 3ika s PRO 914 N 1.00 4.26 -1.53 -1.68 0.02 -1.26 -2.61 135.00 133.20 3ika s PRO 914 Ca 0.08 2.24 -0.13 0.00 0.02 0.00 0.00 61.00 63.21 3ika s PRO 914 Cb -0.13 -3.19 0.08 0.00 0.02 0.00 0.00 34.50 31.28 3ika s PRO 914 CO 0.04 -0.52 0.94 0.66 -0.33 0.00 0.00 177.00 177.80 3ika n TYR 915 N 3.79 -2.23 -1.67 6.54 4.01 -1.26 -4.76 117.16 121.58 3ika n TYR 915 Ca 0.12 0.89 -0.49 0.00 -0.16 0.00 0.00 57.90 58.26 3ika n TYR 915 Cb 0.40 -3.94 -0.05 0.00 -0.31 0.00 0.00 39.34 35.45 3ika n TYR 915 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3ika n ASP 916 N -2.84 3.01 0.00 7.72 2.03 -1.07 -1.51 116.55 123.89 3ika n ASP 916 Ca 0.01 1.04 0.00 0.00 0.52 0.00 0.00 54.79 56.36 3ika n ASP 916 Cb 0.54 -1.34 0.00 0.00 -0.72 0.00 0.00 41.12 39.59 3ika n ASP 916 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3ika n GLY 917 N 3.86 0.76 3.52 0.27 0.00 -1.26 -5.05 105.19 107.28 3ika n GLY 917 Ca 0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.89 3ika n GLY 917 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ika s ILE 918 N -2.16 3.74 0.36 -0.61 1.01 -0.57 -5.08 121.20 117.88 3ika s ILE 918 Ca 0.00 -0.43 -0.28 0.00 0.00 0.00 0.00 60.65 59.94 3ika s ILE 918 Cb 0.00 -2.59 -0.10 0.00 0.01 0.00 0.00 42.46 39.78 3ika s ILE 918 CO 0.00 0.54 1.29 -2.16 0.00 0.00 0.00 174.94 174.61 3ika s PRO 919 N -0.07 4.22 0.33 2.79 0.04 -1.26 -4.90 135.00 136.15 3ika s PRO 919 Ca 0.01 2.17 0.09 0.00 0.04 0.00 0.00 61.00 63.31 3ika s PRO 919 Cb -0.13 -2.95 0.83 0.00 0.04 0.00 0.00 34.50 32.29 3ika s PRO 919 CO 0.03 -0.29 1.80 0.00 0.04 0.00 0.00 177.00 178.58 3ika h ALA 920 N 3.11 1.82 -0.90 8.56 0.00 -1.98 0.15 119.26 130.03 3ika h ALA 920 Ca -0.49 0.06 0.16 0.00 0.00 0.00 0.00 54.91 54.64 3ika h ALA 920 Cb 1.23 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.88 3ika h ALA 920 CO 0.64 -0.17 0.58 0.66 0.00 0.00 0.00 179.25 180.96 3ika h SER 921 N 0.68 0.59 0.44 0.00 4.64 -2.03 -2.14 113.55 115.72 3ika h SER 921 Ca 0.55 0.05 -0.11 0.00 -0.47 0.00 0.00 61.79 61.81 3ika h SER 921 Cb 0.97 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.98 3ika h SER 921 CO -0.32 0.27 -0.48 -0.08 -0.87 0.00 0.00 176.83 175.35 3ika h GLU 922 N 0.61 0.06 0.41 4.77 4.81 -1.33 -3.38 114.58 120.53 3ika h GLU 922 Ca 0.46 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.66 3ika h GLU 922 Cb 0.87 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.22 3ika h GLU 922 CO -0.21 0.53 -0.43 0.82 -0.73 0.00 0.00 179.01 178.99 3ika h ILE 923 N 0.05 0.14 -0.97 2.32 5.03 -1.42 -1.13 117.51 121.52 3ika h ILE 923 Ca -0.00 0.00 0.32 0.00 -0.12 0.00 0.00 64.86 65.06 3ika h ILE 923 Cb 0.87 0.14 -0.17 0.00 -3.03 0.00 0.00 36.82 34.63 3ika h ILE 923 CO 0.07 0.00 0.33 0.77 -0.68 0.00 0.00 178.15 178.64 3ika h SER 924 N -0.86 0.05 -0.06 1.72 4.64 -1.76 0.32 113.55 117.60 3ika h SER 924 Ca -0.04 0.24 -0.00 0.00 -0.47 0.00 0.00 61.79 61.52 3ika h SER 924 Cb 0.77 0.31 -0.00 0.00 -0.31 0.00 0.00 62.40 63.17 3ika h SER 924 CO -0.08 -0.31 0.03 -1.28 -0.87 0.00 0.00 176.83 174.32 3ika h SER 925 N 0.10 0.08 0.34 4.97 0.87 -1.47 0.06 113.55 118.49 3ika h SER 925 Ca 0.70 -0.14 -0.08 0.00 -1.23 0.00 0.00 61.79 61.04 3ika h SER 925 Cb 1.63 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 63.56 3ika h SER 925 CO -0.77 0.20 -0.36 0.16 -0.53 0.00 0.00 176.83 175.53 3ika h ILE 926 N -0.04 1.27 -0.21 2.23 3.07 -0.17 -2.26 117.51 121.39 3ika h ILE 926 Ca 0.02 -1.28 -0.14 0.00 1.55 0.00 0.00 64.86 65.02 3ika h ILE 926 Cb 0.14 1.66 -0.01 0.00 -0.27 0.00 0.00 36.82 38.34 3ika h ILE 926 CO -0.00 0.37 -0.45 -0.07 -1.05 0.00 0.00 178.15 176.95 3ika h LEU 927 N 0.04 0.57 -1.59 0.16 3.38 -0.72 -2.15 115.31 115.00 3ika h LEU 927 Ca 0.00 -0.27 -0.05 0.00 0.09 0.00 0.00 57.88 57.66 3ika h LEU 927 Cb 0.66 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 3ika h LEU 927 CO 0.05 0.94 -0.22 -0.33 0.09 0.00 0.00 178.44 178.97 3ika h GLU 928 N 0.43 0.00 0.00 1.13 5.08 -0.50 -2.41 114.58 118.31 3ika h GLU 928 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3ika h GLU 928 Cb 0.95 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.20 3ika h GLU 928 CO 0.08 0.22 0.00 1.63 -1.00 0.00 0.00 179.01 179.94 3ika n LYS 929 N -4.15 0.12 0.00 2.33 5.02 -0.90 -4.91 118.16 115.68 3ika n LYS 929 Ca -0.02 0.16 0.00 0.00 -2.02 0.00 0.00 58.31 56.43 3ika n LYS 929 Cb 0.28 -1.66 0.00 0.00 -0.02 0.00 0.00 35.03 33.63 3ika n LYS 929 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ika n GLY 930 N 1.07 0.68 3.77 0.72 0.00 -0.91 -5.07 105.19 105.45 3ika n GLY 930 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 3ika n GLY 930 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ika s GLU 931 N -0.75 3.99 0.26 1.61 2.56 -0.83 -5.03 118.70 120.52 3ika s GLU 931 Ca 0.00 1.70 -0.10 0.00 0.00 0.00 0.00 54.97 56.57 3ika s GLU 931 Cb 0.00 -2.53 -0.00 0.00 2.00 0.00 0.00 34.13 33.59 3ika s GLU 931 CO 0.00 -0.34 0.46 1.03 -0.56 0.00 0.00 175.26 175.86 3ika s ARG 932 N -2.51 1.61 0.22 4.30 3.00 -1.26 -4.42 118.95 119.89 3ika s ARG 932 Ca 0.60 -1.37 -0.30 0.00 0.00 0.00 0.00 55.73 54.66 3ika s ARG 932 Cb -0.27 0.46 -0.09 0.00 0.00 0.00 0.00 34.95 35.05 3ika s ARG 932 CO 0.33 -0.66 1.25 -0.51 0.00 0.00 0.00 175.30 175.71 3ika s LEU 933 N -3.06 4.44 0.79 2.53 1.43 -1.26 -4.98 118.68 118.57 3ika s LEU 933 Ca 0.25 2.38 -0.12 0.00 -1.03 0.00 0.00 54.13 55.60 3ika s LEU 933 Cb -0.00 -3.62 0.07 0.00 0.03 0.00 0.00 46.19 42.67 3ika s LEU 933 CO 0.11 -0.44 1.15 -2.16 0.23 0.00 0.00 176.35 175.24 3ika s PRO 934 N -0.55 1.90 0.22 1.29 0.04 -1.26 -4.92 135.00 131.71 3ika s PRO 934 Ca 0.53 1.50 -0.31 0.00 0.04 0.00 0.00 61.00 62.76 3ika s PRO 934 Cb -0.35 -1.83 -0.11 0.00 0.04 0.00 0.00 34.50 32.25 3ika s PRO 934 CO 0.40 -1.97 1.57 -1.14 0.04 0.00 0.00 177.00 175.91 3ika s GLN 935 N -4.42 4.19 0.49 4.56 0.74 -1.26 -4.95 119.66 119.02 3ika s GLN 935 Ca 0.68 2.44 -0.21 0.00 0.05 0.00 0.00 55.36 58.31 3ika s GLN 935 Cb -0.23 -3.10 -0.07 0.00 1.10 0.00 0.00 33.01 30.71 3ika s GLN 935 CO 0.51 -0.60 1.11 -2.14 -0.55 0.00 0.00 175.29 173.63 3ika s PRO 936 N 0.49 3.64 0.44 1.67 0.02 -1.26 -4.93 135.00 135.06 3ika s PRO 936 Ca 0.67 1.60 0.10 0.00 0.02 0.00 0.00 61.00 63.39 3ika s PRO 936 Cb -0.45 -2.20 0.97 0.00 0.02 0.00 0.00 34.50 32.84 3ika s PRO 936 CO 0.37 -0.61 2.07 -1.35 -0.33 0.00 0.00 177.00 177.16 3ika h PRO 937 N 1.66 0.41 -0.01 5.54 0.11 -1.92 -0.64 132.00 137.14 3ika h PRO 937 Ca -0.50 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3ika h PRO 937 Cb 1.24 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3ika h PRO 937 CO 0.59 0.27 -0.13 0.44 -0.21 0.00 0.00 178.00 178.95 3ika n ILE 938 N -4.49 0.00 -3.02 4.15 -5.35 -1.26 -4.89 119.36 104.50 3ika n ILE 938 Ca 0.02 -0.13 -0.40 0.00 -0.27 0.00 0.00 62.75 61.97 3ika n ILE 938 Cb 0.09 0.24 -0.05 0.00 -1.74 0.00 0.00 39.64 38.18 3ika n ILE 938 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3ika s THR 940 N -0.20 4.12 0.47 0.00 -4.23 -1.15 -4.84 115.64 109.81 3ika s THR 940 Ca 0.37 0.78 0.28 0.00 -1.18 0.00 0.00 61.69 61.94 3ika s THR 940 Cb -0.20 -3.49 0.31 0.00 1.34 0.00 0.00 72.50 70.46 3ika s THR 940 CO 0.22 -0.81 2.13 -0.29 -0.54 0.00 0.00 174.62 175.33 3ika h ILE 941 N -0.27 0.56 -0.19 2.99 2.10 -1.97 -0.97 117.51 119.76 3ika h ILE 941 Ca -0.45 -0.37 -0.02 0.00 1.08 0.00 0.00 64.86 65.11 3ika h ILE 941 Cb 1.21 1.24 -0.01 0.00 -1.09 0.00 0.00 36.82 38.17 3ika h ILE 941 CO 0.58 0.08 0.06 0.44 -1.08 0.00 0.00 178.15 178.23 3ika h ASP 942 N 0.00 0.28 0.05 2.19 5.19 -1.93 -2.01 116.42 120.19 3ika h ASP 942 Ca -0.00 -0.20 -0.00 0.00 -0.62 0.00 0.00 57.03 56.20 3ika h ASP 942 Cb 0.23 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 39.67 3ika h ASP 942 CO 0.01 0.41 -0.02 0.58 -3.12 0.00 0.00 179.24 177.10 3ika h VAL 943 N 0.14 1.22 -0.99 -1.35 2.07 -1.48 -2.93 116.25 112.93 3ika h VAL 943 Ca 0.06 -0.91 0.22 0.00 0.82 0.00 0.00 66.70 66.90 3ika h VAL 943 Cb 0.23 1.82 -0.09 0.00 -1.52 0.00 0.00 31.29 31.72 3ika h VAL 943 CO -0.00 0.23 0.63 0.22 0.02 0.00 0.00 177.57 178.66 3ika h TYR 944 N -0.46 0.81 -0.97 1.57 -0.00 -1.51 -1.72 116.97 114.69 3ika h TYR 944 Ca -0.01 0.03 0.05 0.00 -0.00 0.00 0.00 58.73 58.80 3ika h TYR 944 Cb 0.42 -0.24 -0.06 0.00 -0.00 0.00 0.00 36.73 36.85 3ika h TYR 944 CO 0.06 0.14 0.63 1.98 -0.00 0.00 0.00 178.16 180.98 3ika h MET 945 N 0.55 1.14 -0.66 1.82 4.05 -1.16 -0.88 114.93 119.78 3ika h MET 945 Ca 0.57 -0.07 0.00 0.00 -0.28 0.00 0.00 59.70 59.92 3ika h MET 945 Cb 1.19 -0.26 -0.03 0.00 -0.80 0.00 0.00 31.60 31.70 3ika h MET 945 CO -0.31 0.76 0.42 0.82 0.23 0.00 0.00 176.91 178.82 3ika h ILE 946 N 1.18 1.18 -0.55 1.77 2.04 -1.31 -1.09 117.51 120.73 3ika h ILE 946 Ca 0.40 -0.37 -0.02 0.00 1.00 0.00 0.00 64.86 65.87 3ika h ILE 946 Cb 0.09 0.24 -0.03 0.00 -0.74 0.00 0.00 36.82 36.38 3ika h ILE 946 CO -0.14 0.18 0.27 0.24 0.00 0.00 0.00 178.15 178.70 3ika h MET 947 N 0.90 0.77 -0.15 2.37 2.86 -1.33 -1.97 114.93 118.39 3ika h MET 947 Ca 0.24 -0.09 -0.10 0.00 -2.06 0.00 0.00 59.70 57.69 3ika h MET 947 Cb -0.06 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 31.45 3ika h MET 947 CO -0.05 0.59 -0.30 0.28 1.06 0.00 0.00 176.91 178.49 3ika h VAL 948 N 0.77 1.36 -0.64 -2.22 2.07 -0.82 -2.21 116.25 114.56 3ika h VAL 948 Ca 0.19 -1.56 0.13 0.00 0.82 0.00 0.00 66.70 66.28 3ika h VAL 948 Cb 0.07 2.00 -0.04 0.00 -1.52 0.00 0.00 31.29 31.81 3ika h VAL 948 CO -0.03 0.47 0.43 0.11 0.02 0.00 0.00 177.57 178.57 3ika h LYS 949 N 0.08 0.30 0.00 1.57 1.57 -1.01 0.32 116.57 119.40 3ika h LYS 949 Ca 0.00 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.73 3ika h LYS 949 Cb 0.90 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.13 3ika h LYS 949 CO 0.07 0.20 -0.17 0.00 -0.57 0.00 0.00 179.45 178.97 3ika n TRP 951 N -3.60 2.29 -2.49 0.00 8.01 0.11 -4.15 117.44 117.61 3ika n TRP 951 Ca -0.01 -1.86 -0.38 0.00 -1.31 0.00 0.00 57.50 53.93 3ika n TRP 951 Cb 0.31 -0.79 -0.04 0.00 -2.01 0.00 0.00 31.31 28.78 3ika n TRP 951 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.69 175.04 3ika s MET 952 N -3.33 4.38 0.26 -0.99 -1.94 -1.20 -4.92 119.30 111.55 3ika s MET 952 Ca 0.53 1.68 0.06 0.00 -1.71 0.00 0.00 55.69 56.24 3ika s MET 952 Cb 0.45 -2.86 0.33 0.00 2.01 0.00 0.00 34.83 34.76 3ika s MET 952 CO 0.05 0.01 1.61 0.82 -0.01 0.00 0.00 175.02 177.51 3ika h ILE 953 N 2.63 1.36 -3.49 2.53 2.04 -1.93 -3.38 117.51 117.27 3ika h ILE 953 Ca -0.48 -1.83 -0.57 0.00 1.00 0.00 0.00 64.86 62.98 3ika h ILE 953 Cb 1.22 1.91 -0.07 0.00 -0.74 0.00 0.00 36.82 39.13 3ika h ILE 953 CO 0.64 0.54 0.85 -0.62 0.00 0.00 0.00 178.15 179.56 3ika s ASP 954 N -6.89 6.78 0.18 1.72 3.68 -1.26 -4.90 116.67 115.99 3ika s ASP 954 Ca -0.04 0.76 -0.13 0.00 2.13 0.00 0.00 52.55 55.28 3ika s ASP 954 Cb 0.12 -2.54 0.16 0.00 -1.45 0.00 0.00 42.92 39.22 3ika s ASP 954 CO 0.79 -1.02 1.75 0.00 0.13 0.00 0.00 175.17 176.81 3ika h ALA 955 N 8.58 0.61 0.00 3.66 0.00 -1.97 -2.09 119.26 128.05 3ika h ALA 955 Ca -0.22 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3ika h ALA 955 Cb 1.06 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3ika h ALA 955 CO 1.06 -0.20 0.00 -0.44 0.00 0.00 0.00 179.25 179.67 3ika h ASP 956 N 0.37 0.00 -0.17 0.00 3.32 -1.94 -2.19 116.42 115.81 3ika h ASP 956 Ca 0.24 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.29 3ika h ASP 956 Cb 0.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.79 3ika h ASP 956 CO -0.23 0.00 0.00 -1.20 -1.72 0.00 0.00 179.24 176.09 3ika n SER 957 N -2.54 1.02 -4.94 6.45 7.64 -0.78 -4.89 113.62 115.57 3ika n SER 957 Ca 0.00 -1.87 -0.24 0.00 1.01 0.00 0.00 58.87 57.77 3ika n SER 957 Cb 0.17 -0.11 -0.01 0.00 -1.01 0.00 0.00 64.21 63.24 3ika n SER 957 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 3ika s ARG 958 N -1.78 3.49 1.22 1.43 0.52 -0.82 -4.90 118.95 118.11 3ika s ARG 958 Ca 0.19 -0.34 -0.14 0.00 -0.52 0.00 0.00 55.73 54.92 3ika s ARG 958 Cb 0.10 -2.69 0.31 0.00 0.52 0.00 0.00 34.95 33.19 3ika s ARG 958 CO 0.14 0.19 1.01 -2.14 0.02 0.00 0.00 175.30 174.51 3ika s PRO 959 N -4.17 -1.36 0.00 3.54 0.02 -1.26 -5.02 135.00 126.75 3ika s PRO 959 Ca 0.40 0.72 0.08 0.00 0.02 0.00 0.00 61.00 62.21 3ika s PRO 959 Cb -0.10 -1.51 -0.02 0.00 0.02 0.00 0.00 34.50 32.89 3ika s PRO 959 CO 0.35 -3.99 -0.24 0.15 -0.33 0.00 0.00 177.00 172.94 3ika s LYS 960 N -4.51 2.05 0.39 5.54 -0.14 -1.26 -4.95 119.74 116.86 3ika s LYS 960 Ca 0.69 -0.97 0.09 0.00 -1.36 0.00 0.00 55.97 54.42 3ika s LYS 960 Cb -0.24 -2.08 0.85 0.00 -1.68 0.00 0.00 37.83 34.69 3ika s LYS 960 CO 0.64 0.55 1.96 0.74 -0.76 0.00 0.00 175.35 178.48 3ika h PHE 961 N 5.14 0.65 -0.70 3.18 -1.00 -1.96 0.24 116.94 122.49 3ika h PHE 961 Ca -0.45 0.02 -0.02 0.00 2.81 0.00 0.00 57.97 60.33 3ika h PHE 961 Cb 1.13 -0.21 -0.03 0.00 3.61 0.00 0.00 35.95 40.45 3ika h PHE 961 CO 0.45 0.32 0.37 0.07 -1.61 0.00 0.00 178.31 177.91 3ika h ARG 962 N 0.62 0.99 -0.71 1.51 0.11 -1.95 0.62 114.38 115.58 3ika h ARG 962 Ca 0.31 -0.13 -0.06 0.00 0.10 0.00 0.00 59.98 60.20 3ika h ARG 962 Cb 0.40 -0.19 -0.03 0.00 1.11 0.00 0.00 29.97 31.26 3ika h ARG 962 CO -0.10 0.76 0.21 0.93 0.10 0.00 0.00 179.97 181.86 3ika h GLU 963 N 0.97 1.10 -0.18 0.08 5.08 -1.09 -2.54 114.58 118.00 3ika h GLU 963 Ca 0.24 -0.24 -0.12 0.00 -1.00 0.00 0.00 59.36 58.25 3ika h GLU 963 Cb 0.07 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 3ika h GLU 963 CO -0.04 0.94 -0.40 1.25 -1.00 0.00 0.00 179.01 179.77 3ika h LEU 964 N 1.05 0.42 -0.80 1.33 5.85 0.97 -0.03 115.31 124.10 3ika h LEU 964 Ca 0.23 -0.18 -0.12 0.00 0.84 0.00 0.00 57.88 58.65 3ika h LEU 964 Cb 0.32 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 3ika h LEU 964 CO -0.01 0.78 -0.46 0.40 -0.34 0.00 0.00 178.44 178.81 3ika h ILE 965 N 0.33 1.33 0.10 4.05 2.04 0.43 -2.36 117.51 123.42 3ika h ILE 965 Ca 0.03 -1.65 -0.00 0.00 1.00 0.00 0.00 64.86 64.23 3ika h ILE 965 Cb 0.85 1.74 0.00 0.00 -0.74 0.00 0.00 36.82 38.67 3ika h ILE 965 CO 0.07 0.50 -0.05 0.40 0.00 0.00 0.00 178.15 179.07 3ika h ILE 966 N 0.26 1.06 -0.53 -0.67 2.04 -0.99 -1.94 117.51 116.74 3ika h ILE 966 Ca 0.02 -1.36 0.11 0.00 1.00 0.00 0.00 64.86 64.62 3ika h ILE 966 Cb 0.92 1.84 -0.09 0.00 -0.74 0.00 0.00 36.82 38.74 3ika h ILE 966 CO 0.08 0.29 -0.03 -0.33 0.00 0.00 0.00 178.15 178.16 3ika h GLU 967 N -0.84 0.09 -0.22 2.37 4.39 -1.04 -1.31 114.58 118.02 3ika h GLU 967 Ca -0.01 -0.01 -0.07 0.00 0.34 0.00 0.00 59.36 59.61 3ika h GLU 967 Cb 0.58 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.21 3ika h GLU 967 CO 0.02 0.06 -0.13 0.74 -1.16 0.00 0.00 179.01 178.53 3ika h PHE 968 N 0.09 0.55 -0.83 4.33 -1.00 -1.50 -2.55 116.94 116.03 3ika h PHE 968 Ca 0.27 -0.15 0.16 0.00 2.81 0.00 0.00 57.97 61.06 3ika h PHE 968 Cb 0.41 -0.12 -0.10 0.00 3.61 0.00 0.00 35.95 39.75 3ika h PHE 968 CO -0.35 0.77 0.40 0.77 -1.61 0.00 0.00 178.31 178.29 3ika h SER 969 N 0.17 0.43 -0.37 2.17 0.02 -0.74 1.03 113.55 116.26 3ika h SER 969 Ca 0.04 0.11 -0.03 0.00 -0.84 0.00 0.00 61.79 61.07 3ika h SER 969 Cb 0.65 0.05 -0.02 0.00 0.14 0.00 0.00 62.40 63.22 3ika h SER 969 CO 0.04 0.15 0.10 0.50 -1.14 0.00 0.00 176.83 176.48 3ika h LYS 970 N 0.54 0.59 0.00 3.45 3.64 -1.14 0.13 116.57 123.78 3ika h LYS 970 Ca 0.47 -0.14 -0.04 0.00 -1.27 0.00 0.00 60.65 59.67 3ika h LYS 970 Cb 0.72 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.45 3ika h LYS 970 CO -0.40 0.62 -0.18 0.52 -2.27 0.00 0.00 179.45 177.74 3ika h MET 971 N 0.46 0.00 -0.88 1.90 2.86 -0.92 -0.23 114.93 118.11 3ika h MET 971 Ca 0.12 0.00 0.24 0.00 -2.06 0.00 0.00 59.70 58.00 3ika h MET 971 Cb 0.29 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.90 3ika h MET 971 CO -0.00 0.18 0.62 0.00 1.06 0.00 0.00 176.91 178.77 3ika h ALA 972 N 1.82 2.65 -0.02 6.32 0.00 0.39 -1.35 119.26 129.07 3ika h ALA 972 Ca -0.00 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.71 3ika h ALA 972 Cb 0.42 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3ika h ALA 972 CO 0.02 -0.91 -0.80 0.00 0.00 0.00 0.00 179.25 177.56 3ika h ARG 973 N 0.12 0.23 -2.09 0.00 -0.00 -0.60 -3.39 114.38 108.65 3ika h ARG 973 Ca 0.43 -0.22 -0.58 0.00 -0.50 0.00 0.00 59.98 59.12 3ika h ARG 973 Cb 1.53 0.06 -0.40 0.00 0.00 0.00 0.00 29.97 31.16 3ika h ARG 973 CO -0.06 0.91 -0.87 -3.47 0.00 0.00 0.00 179.97 176.48 3ika n ASP 974 N -3.73 1.87 -0.28 7.04 -0.08 -0.52 -4.96 116.55 115.90 3ika n ASP 974 Ca -0.03 -3.05 -0.05 0.00 -1.51 0.00 0.00 54.79 50.14 3ika n ASP 974 Cb 0.75 -0.65 0.06 0.00 2.34 0.00 0.00 41.12 43.63 3ika n ASP 974 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3ika h PRO 975 N 4.04 1.05 -0.47 -0.67 0.11 -1.74 -1.42 132.00 132.90 3ika h PRO 975 Ca 0.13 -0.10 -0.01 0.00 0.11 0.00 0.00 66.00 66.14 3ika h PRO 975 Cb 0.78 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 31.65 3ika h PRO 975 CO 0.64 0.75 0.27 1.96 -0.21 0.00 0.00 178.00 181.40 3ika h GLN 976 N 1.05 0.63 -0.78 1.05 7.50 -1.90 0.34 115.11 123.00 3ika h GLN 976 Ca 0.28 -0.05 0.20 0.00 0.50 0.00 0.00 58.65 59.57 3ika h GLN 976 Cb -0.03 -0.13 -0.04 0.00 0.05 0.00 0.00 27.48 27.32 3ika h GLN 976 CO -0.05 0.46 0.54 -0.09 -1.50 0.00 0.00 178.83 178.18 3ika h ARG 977 N 0.64 0.19 0.00 1.46 2.43 -1.64 -3.20 114.38 114.26 3ika h ARG 977 Ca 0.17 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.30 3ika h ARG 977 Cb -0.00 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.50 3ika h ARG 977 CO -0.03 0.13 -1.46 0.66 -1.51 0.00 0.00 179.97 177.76 3ika n TYR 978 N -4.41 0.00 -4.66 2.20 4.01 0.91 -4.93 117.16 110.29 3ika n TYR 978 Ca 0.16 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.66 3ika n TYR 978 Cb 0.71 -0.25 -0.16 0.00 -0.31 0.00 0.00 39.34 39.34 3ika n TYR 978 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3ika s LEU 979 N -3.79 1.81 -0.61 7.72 1.43 0.32 -2.91 118.68 122.64 3ika s LEU 979 Ca -0.04 -0.30 -0.02 0.00 -1.03 0.00 0.00 54.13 52.75 3ika s LEU 979 Cb 0.06 -0.83 0.16 0.00 0.03 0.00 0.00 46.19 45.60 3ika s LEU 979 CO 0.39 0.10 0.41 -0.69 0.23 0.00 0.00 176.35 176.79 3ika s VAL 980 N 0.25 3.55 -0.04 -1.59 1.01 -0.63 -4.39 120.40 118.56 3ika s VAL 980 Ca -0.07 -3.01 0.03 0.00 0.00 0.00 0.00 61.98 58.93 3ika s VAL 980 Cb -0.12 -3.33 -0.03 0.00 0.00 0.00 0.00 36.38 32.90 3ika s VAL 980 CO 0.02 -0.87 -0.12 -0.63 0.00 0.00 0.00 175.10 173.51 3ika s ILE 981 N -0.10 3.28 0.13 2.22 1.01 -1.26 -4.57 121.20 121.91 3ika s ILE 981 Ca 0.17 -0.70 -0.33 0.00 0.00 0.00 0.00 60.65 59.79 3ika s ILE 981 Cb -0.21 -2.32 -0.12 0.00 0.01 0.00 0.00 42.46 39.81 3ika s ILE 981 CO -0.03 0.55 1.74 0.00 0.00 0.00 0.00 174.94 177.20 3ika n GLN 982 N 2.14 2.50 -3.27 2.79 6.02 -1.26 -3.40 117.38 122.90 3ika n GLN 982 Ca -0.17 0.91 -0.18 0.00 -0.01 0.00 0.00 57.00 57.54 3ika n GLN 982 Cb 0.52 -2.74 0.06 0.00 1.02 0.00 0.00 30.24 29.10 3ika n GLN 982 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ika n GLY 983 N 3.93 -0.19 0.06 1.08 0.00 -1.26 -4.96 105.19 103.85 3ika n GLY 983 Ca 0.18 0.02 -0.13 0.00 0.00 0.00 0.00 46.02 46.09 3ika n GLY 983 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 3ika h ASP 984 N -1.93 -0.04 -0.33 1.61 -0.00 -1.98 -3.33 116.42 110.42 3ika h ASP 984 Ca -0.43 -0.17 -0.01 0.00 -0.00 0.00 0.00 57.03 56.42 3ika h ASP 984 Cb 1.28 0.01 -0.02 0.00 -0.00 0.00 0.00 39.33 40.60 3ika h ASP 984 CO 0.43 0.15 0.17 -0.33 -0.00 0.00 0.00 179.24 179.66 3ika h GLU 985 N -0.22 0.47 -6.97 0.28 5.08 -1.93 -3.39 114.58 107.90 3ika h GLU 985 Ca -0.00 -0.06 -0.50 0.00 -1.00 0.00 0.00 59.36 57.79 3ika h GLU 985 Cb 0.20 -0.09 0.05 0.00 0.50 0.00 0.00 28.75 29.42 3ika h GLU 985 CO 0.01 0.42 0.48 1.03 -1.00 0.00 0.00 179.01 179.94 3ika s ARG 986 N -5.79 3.94 0.00 2.33 0.52 -1.25 -5.21 118.95 113.50 3ika s ARG 986 Ca -0.13 1.74 0.00 0.00 -0.52 0.00 0.00 55.73 56.82 3ika s ARG 986 Cb 0.09 -2.53 0.00 0.00 0.52 0.00 0.00 34.95 33.04 3ika s ARG 986 CO 0.73 -0.39 0.00 -1.33 0.02 0.00 0.00 175.30 174.33 3ika n MET 987 N -0.21 0.00 -3.65 3.54 2.00 -1.26 -4.89 117.12 112.65 3ika n MET 987 Ca 0.06 0.00 -0.15 0.00 0.00 0.00 0.00 57.70 57.61 3ika n MET 987 Cb 0.48 0.00 -0.08 0.00 0.00 0.00 0.00 33.22 33.62 3ika n MET 987 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 175.97 176.96 3ika s THR 993 N -2.00 0.01 -0.41 2.03 2.01 -1.26 -5.05 115.64 110.97 3ika s THR 993 Ca 0.00 -0.11 0.04 0.00 0.31 0.00 0.00 61.69 61.94 3ika s THR 993 Cb 0.00 -0.81 0.48 0.00 0.01 0.00 0.00 72.50 72.18 3ika s THR 993 CO 0.00 -0.06 1.55 -0.67 -0.69 0.00 0.00 174.62 174.75 3ika n ASP 994 N 1.87 5.13 -4.67 3.53 -0.08 -1.26 -4.93 116.55 116.15 3ika n ASP 994 Ca -0.17 -3.77 -0.46 0.00 -1.51 0.00 0.00 54.79 48.88 3ika n ASP 994 Cb 0.56 -0.63 -0.03 0.00 2.34 0.00 0.00 41.12 43.36 3ika n ASP 994 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 3ika n SER 995 N -0.89 2.82 -0.44 1.67 3.41 -1.26 -4.53 113.62 114.39 3ika n SER 995 Ca 0.48 1.12 0.41 0.00 -0.26 0.00 0.00 58.87 60.61 3ika n SER 995 Cb 0.92 -1.41 0.75 0.00 -0.26 0.00 0.00 64.21 64.20 3ika n SER 995 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 3ika h ASN 996 N 4.92 0.00 -0.01 4.04 -0.26 -1.96 1.18 115.58 123.49 3ika h ASN 996 Ca -0.45 0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 55.29 3ika h ASN 996 Cb 1.27 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 38.53 3ika h ASN 996 CO 0.81 0.00 0.01 0.15 -1.06 0.00 0.00 177.43 177.34 3ika h PHE 997 N 0.00 0.02 0.37 1.19 3.04 -1.94 -1.77 116.94 117.86 3ika h PHE 997 Ca 0.68 -0.00 -0.02 0.00 3.98 0.00 0.00 57.97 62.62 3ika h PHE 997 Cb 2.87 -0.01 0.00 0.00 2.56 0.00 0.00 35.95 41.38 3ika h PHE 997 CO 0.00 0.13 -0.18 -0.92 -2.02 0.00 0.00 178.31 175.32 3ika h TYR 998 N -0.10 -0.47 -0.16 0.41 -0.00 0.13 0.20 116.97 116.99 3ika h TYR 998 Ca 0.00 -0.01 0.04 0.00 -0.00 0.00 0.00 58.73 58.76 3ika h TYR 998 Cb 0.11 0.15 -0.04 0.00 -0.00 0.00 0.00 36.73 36.96 3ika h TYR 998 CO -0.04 -0.29 -0.09 -0.09 -0.00 0.00 0.00 178.16 177.66 3ika h ARG 999 N -0.51 -0.07 0.00 1.82 2.43 -1.51 -0.57 114.38 115.97 3ika h ARG 999 Ca -0.05 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.11 3ika h ARG 999 Cb 0.39 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.95 3ika h ARG 999 CO 0.08 -0.05 -0.06 0.00 -1.51 0.00 0.00 179.97 178.43 3ika h ALA 1000N 1.06 1.61 -0.05 2.80 0.00 -1.20 -2.15 119.26 121.33 3ika h ALA 1000Ca 0.09 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3ika h ALA 1000Cb 0.21 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 3ika h ALA 1000CO -0.20 0.08 -0.06 1.25 0.00 0.00 0.00 179.25 180.32 3ika h LEU 1001N 0.00 0.14 -1.10 0.00 5.85 0.28 0.49 115.31 120.97 3ika h LEU 1001Ca -0.00 -0.49 -0.08 0.00 0.84 0.00 0.00 57.88 58.15 3ika h LEU 1001Cb 0.14 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 3ika h LEU 1001CO 0.01 0.60 -0.22 0.24 -0.34 0.00 0.00 178.44 178.73 3ika h MET 1002N -0.31 0.36 -0.01 1.25 2.86 -0.80 -3.05 114.93 115.24 3ika h MET 1002Ca 0.01 -0.12 0.00 0.00 -2.06 0.00 0.00 59.70 57.53 3ika h MET 1002Cb 0.56 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.19 3ika h MET 1002CO 0.01 0.57 -0.65 -3.47 1.06 0.00 0.00 176.91 174.43 3ika n ASP 1003N -4.16 1.57 -0.28 1.22 -0.08 -0.84 -4.10 116.55 109.88 3ika n ASP 1003Ca -0.00 -1.28 -0.06 0.00 -1.51 0.00 0.00 54.79 51.94 3ika n ASP 1003Cb 0.36 0.69 0.06 0.00 2.34 0.00 0.00 41.12 44.57 3ika n ASP 1003CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 3ika h GLU 1004N 1.41 1.11 0.00 -0.67 4.81 0.12 -3.50 114.58 117.87 3ika h GLU 1004Ca 0.00 -0.17 0.00 0.00 -0.13 0.00 0.00 59.36 59.06 3ika h GLU 1004Cb 0.63 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.81 3ika h GLU 1004CO 0.00 0.87 0.00 -1.91 -0.73 0.00 0.00 179.01 177.24 3ika n GLU 1005N -4.37 0.00 -3.29 1.92 2.13 -1.25 -5.08 120.64 110.71 3ika n GLU 1005Ca 0.07 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.89 3ika n GLU 1005Cb 0.14 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.85 3ika n GLU 1005CO 0.00 0.00 0.00 1.33 -0.41 0.00 0.00 177.13 178.05 3ika n VAL 1010N -0.27 0.00 -4.83 6.31 0.24 -1.26 -5.04 118.33 113.47 3ika n VAL 1010Ca 0.00 0.00 -0.33 0.00 -2.04 0.00 0.00 64.34 61.97 3ika n VAL 1010Cb 0.00 0.00 -0.13 0.00 -1.47 0.00 0.00 33.84 32.24 3ika n VAL 1010CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 3ika s VAL 1011N -2.74 3.10 0.52 3.34 1.01 -1.26 -4.94 120.40 119.43 3ika s VAL 1011Ca 0.00 -0.68 -0.12 0.00 0.00 0.00 0.00 61.98 61.17 3ika s VAL 1011Cb 0.00 -2.25 -0.06 0.00 0.00 0.00 0.00 36.38 34.07 3ika s VAL 1011CO 0.00 0.57 0.93 1.51 0.00 0.00 0.00 175.10 178.11 3ika s ASP 1012N -0.35 6.45 0.42 3.32 -4.77 -1.26 -4.47 116.67 116.02 3ika s ASP 1012Ca 0.03 1.36 0.11 0.00 -3.30 0.00 0.00 52.55 50.76 3ika s ASP 1012Cb -0.13 -2.43 0.92 0.00 -1.09 0.00 0.00 42.92 40.19 3ika s ASP 1012CO 0.02 -0.62 1.99 0.00 0.70 0.00 0.00 175.17 177.27 3ika h ALA 1013N 0.58 1.66 -0.40 2.11 0.00 -1.92 -2.99 119.26 118.29 3ika h ALA 1013Ca -0.46 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 54.39 3ika h ALA 1013Cb 1.19 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 3ika h ALA 1013CO 0.62 0.25 0.28 -0.44 0.00 0.00 0.00 179.25 179.96 3ika h ASP 1014N 0.21 0.22 -0.72 0.00 3.32 -1.96 0.27 116.42 117.76 3ika h ASP 1014Ca 0.05 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 3ika h ASP 1014Cb 0.22 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.69 3ika h ASP 1014CO 0.01 0.14 0.39 -0.33 -1.72 0.00 0.00 179.24 177.74 3ika h GLU 1015N 0.25 1.01 -0.56 3.56 5.08 -1.92 -2.68 114.58 119.31 3ika h GLU 1015Ca 0.18 -0.12 -0.03 0.00 -1.00 0.00 0.00 59.36 58.39 3ika h GLU 1015Cb 0.40 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.43 3ika h GLU 1015CO -0.04 0.75 0.21 -0.92 -1.00 0.00 0.00 179.01 178.02 3ika h TYR 1016N 1.00 0.82 0.00 4.33 3.20 -0.65 -3.52 116.97 122.14 3ika h TYR 1016Ca 0.25 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 62.08 3ika h TYR 1016Cb 0.04 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 38.06 3ika h TYR 1016CO -0.00 0.64 0.00 1.28 -1.64 0.00 0.00 178.16 178.44