#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ika n GLU 697 N 0.00 0.59 -2.10 1.61 0.00 -1.26 -5.00 120.64 114.49 3ika n GLU 697 Ca 0.00 0.26 -0.39 0.00 0.00 0.00 0.00 57.16 57.04 3ika n GLU 697 Cb 0.00 -1.50 -0.00 0.00 0.00 0.00 0.00 31.44 29.94 3ika n GLU 697 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3ika s ALA 698 N -2.51 3.12 0.38 4.31 0.00 -1.26 -5.00 121.76 120.80 3ika s ALA 698 Ca -0.38 1.14 -0.26 0.00 0.00 0.00 0.00 51.96 52.46 3ika s ALA 698 Cb 0.14 -3.46 -0.09 0.00 0.00 0.00 0.00 23.12 19.72 3ika s ALA 698 CO 0.50 -0.82 1.14 -1.25 0.00 0.00 0.00 175.76 175.33 3ika s PRO 699 N -2.45 4.19 -0.92 0.00 0.04 -1.26 -4.97 135.00 129.63 3ika s PRO 699 Ca 0.60 1.80 -0.16 0.00 0.04 0.00 0.00 61.00 63.29 3ika s PRO 699 Cb -0.35 -2.76 0.18 0.00 0.04 0.00 0.00 34.50 31.61 3ika s PRO 699 CO 0.44 -0.19 1.00 1.21 0.04 0.00 0.00 177.00 179.50 3ika s ASN 700 N -1.13 6.76 -0.11 6.66 3.84 -1.26 -4.86 114.94 124.84 3ika s ASN 700 Ca 0.55 -2.48 0.04 0.00 0.21 0.00 0.00 52.86 51.17 3ika s ASN 700 Cb -0.30 -2.31 0.27 0.00 -0.55 0.00 0.00 41.25 38.37 3ika s ASN 700 CO 0.38 -0.78 1.08 0.00 -2.79 0.00 0.00 177.10 174.99 3ika n GLN 701 N 5.15 2.05 -1.77 0.43 6.02 -1.26 -4.84 117.38 123.16 3ika n GLN 701 Ca 0.21 -1.10 -0.41 0.00 -0.01 0.00 0.00 57.00 55.69 3ika n GLN 701 Cb 0.47 -1.65 0.01 0.00 1.02 0.00 0.00 30.24 30.09 3ika n GLN 701 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3ika n ALA 702 N 0.11 2.26 -2.78 -1.58 0.00 -1.26 -4.94 120.51 112.31 3ika n ALA 702 Ca 0.14 0.30 -0.35 0.00 0.00 0.00 0.00 53.44 53.53 3ika n ALA 702 Cb 0.71 -2.41 -0.09 0.00 0.00 0.00 0.00 19.45 17.65 3ika n ALA 702 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3ika s LEU 703 N -2.33 3.74 -0.29 0.00 2.96 -1.26 -4.95 118.68 116.55 3ika s LEU 703 Ca 0.56 0.15 -0.07 0.00 -0.22 0.00 0.00 54.13 54.55 3ika s LEU 703 Cb -0.46 -1.90 0.00 0.00 0.50 0.00 0.00 46.19 44.33 3ika s LEU 703 CO 0.61 0.30 0.08 -0.22 -1.32 0.00 0.00 176.35 175.81 3ika s LEU 704 N -0.42 3.77 0.10 -0.68 2.96 -1.26 -4.91 118.68 118.24 3ika s LEU 704 Ca 0.09 -0.61 -0.00 0.00 -0.22 0.00 0.00 54.13 53.38 3ika s LEU 704 Cb -0.12 -1.89 -0.04 0.00 0.50 0.00 0.00 46.19 44.64 3ika s LEU 704 CO 0.02 -0.16 0.27 0.00 -1.32 0.00 0.00 176.35 175.16 3ika s ARG 705 N 1.52 3.48 -0.08 1.98 1.70 -1.26 -4.99 118.95 121.30 3ika s ARG 705 Ca 0.03 -0.40 0.03 0.00 -0.47 0.00 0.00 55.73 54.92 3ika s ARG 705 Cb -0.17 -2.98 -0.02 0.00 -0.57 0.00 0.00 34.95 31.22 3ika s ARG 705 CO 0.03 0.55 -0.16 0.42 -1.08 0.00 0.00 175.30 175.06 3ika s ILE 706 N -1.61 2.86 -0.04 4.99 1.01 -1.26 -1.60 121.20 125.55 3ika s ILE 706 Ca 0.36 -0.77 0.05 0.00 0.00 0.00 0.00 60.65 60.29 3ika s ILE 706 Cb -0.12 -2.14 -0.00 0.00 0.01 0.00 0.00 42.46 40.20 3ika s ILE 706 CO 0.28 0.56 -0.18 -0.76 0.00 0.00 0.00 174.94 174.84 3ika s LEU 707 N -0.24 1.94 0.32 2.97 1.43 0.05 -4.92 118.68 120.23 3ika s LEU 707 Ca 0.00 -0.37 -0.28 0.00 -1.03 0.00 0.00 54.13 52.46 3ika s LEU 707 Cb -0.13 -1.02 -0.09 0.00 0.03 0.00 0.00 46.19 44.98 3ika s LEU 707 CO 0.03 0.17 1.11 -1.59 0.23 0.00 0.00 176.35 176.30 3ika s LYS 708 N 0.00 4.44 0.00 1.70 -2.85 -1.26 -4.25 119.74 117.52 3ika s LYS 708 Ca -0.03 1.77 0.10 0.00 -1.00 0.00 0.00 55.97 56.81 3ika s LYS 708 Cb -0.12 -2.98 0.45 0.00 -2.06 0.00 0.00 37.83 33.12 3ika s LYS 708 CO 0.02 0.04 1.29 -0.85 0.10 0.00 0.00 175.35 175.96 3ika n GLU 709 N 0.75 0.04 -0.03 1.78 0.28 -1.26 -0.01 120.64 122.20 3ika n GLU 709 Ca 0.01 0.29 0.13 0.00 -0.16 0.00 0.00 57.16 57.43 3ika n GLU 709 Cb 0.46 -1.50 0.49 0.00 1.43 0.00 0.00 31.44 32.32 3ika n GLU 709 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 3ika n THR 710 N -1.44 0.07 0.74 3.84 -2.24 -1.26 -3.49 114.28 110.50 3ika n THR 710 Ca 0.03 -0.27 0.13 0.00 -2.27 0.00 0.00 64.05 61.67 3ika n THR 710 Cb 0.11 0.42 0.38 0.00 -2.10 0.00 0.00 70.33 69.14 3ika n THR 710 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 3ika n GLU 711 N 0.18 0.18 -4.07 -0.78 2.13 0.99 -4.86 120.64 114.41 3ika n GLU 711 Ca 0.18 0.11 -0.08 0.00 0.66 0.00 0.00 57.16 58.04 3ika n GLU 711 Cb 0.34 -1.67 -0.10 0.00 0.27 0.00 0.00 31.44 30.28 3ika n GLU 711 CO 0.00 0.00 0.00 -0.59 -0.41 0.00 0.00 177.13 176.13 3ika s PHE 712 N -3.08 0.52 0.13 4.31 -0.12 -1.23 -0.34 117.98 118.16 3ika s PHE 712 Ca 0.10 -1.02 0.05 0.00 -0.05 0.00 0.00 56.93 56.02 3ika s PHE 712 Cb 0.15 -0.35 -0.04 0.00 -0.63 0.00 0.00 43.02 42.15 3ika s PHE 712 CO 0.62 -0.43 -0.13 -1.59 -0.05 0.00 0.00 175.22 173.65 3ika s LYS 713 N -3.93 1.02 -0.18 1.99 -2.85 -0.37 -4.96 119.74 110.45 3ika s LYS 713 Ca 0.09 -1.27 -0.05 0.00 -1.00 0.00 0.00 55.97 53.74 3ika s LYS 713 Cb 0.07 -0.83 -0.03 0.00 -2.06 0.00 0.00 37.83 34.99 3ika s LYS 713 CO -0.08 0.15 -0.00 0.15 0.10 0.00 0.00 175.35 175.66 3ika s LYS 714 N -2.86 3.69 -0.22 1.78 1.02 -1.26 -1.28 119.74 120.61 3ika s LYS 714 Ca 0.10 -0.49 -0.16 0.00 0.02 0.00 0.00 55.97 55.44 3ika s LYS 714 Cb -0.04 -3.04 -0.10 0.00 -0.52 0.00 0.00 37.83 34.13 3ika s LYS 714 CO 0.02 0.14 -0.26 -0.89 -0.92 0.00 0.00 175.35 173.44 3ika n ILE 715 N 3.88 1.51 -4.06 2.17 -0.00 0.12 -4.97 119.36 118.00 3ika n ILE 715 Ca -0.17 -0.10 -0.10 0.00 -0.00 0.00 0.00 62.75 62.38 3ika n ILE 715 Cb 0.52 -2.11 -0.08 0.00 -0.00 0.00 0.00 39.64 37.96 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 -2.59 1.12 -0.11 0.38 -2.85 -0.92 -4.98 119.74 109.79 3ika s LYS 716 Ca -0.32 -1.33 -0.02 0.00 -1.00 0.00 0.00 55.97 53.31 3ika s LYS 716 Cb 0.09 0.33 -0.03 0.00 -2.06 0.00 0.00 37.83 36.15 3ika s LYS 716 CO 0.45 -0.39 -0.04 0.14 0.10 0.00 0.00 175.35 175.62 3ika s VAL 717 N -4.02 3.89 -0.17 1.79 -7.23 -1.26 0.63 120.40 114.02 3ika s VAL 717 Ca 0.23 -0.39 -0.14 0.00 -1.81 0.00 0.00 61.98 59.87 3ika s VAL 717 Cb 0.05 -2.64 -0.09 0.00 0.56 0.00 0.00 36.38 34.26 3ika s VAL 717 CO 0.03 0.56 -0.10 0.18 -0.31 0.00 0.00 175.10 175.46 3ika n LEU 718 N 2.76 1.85 -4.26 1.32 4.77 -0.87 -4.86 117.00 117.70 3ika n LEU 718 Ca -0.18 0.52 -0.25 0.00 -0.03 0.00 0.00 56.01 56.08 3ika n LEU 718 Cb 0.53 -0.88 -0.14 0.00 -2.33 0.00 0.00 43.42 40.60 3ika n LEU 718 CO 0.30 -0.16 -0.52 -0.83 -1.33 0.00 0.00 177.39 174.85 3ika s GLY 719 N -4.58 1.14 -0.00 -0.72 0.00 -1.19 -5.02 107.32 96.95 3ika s GLY 719 Ca -0.22 -1.11 0.01 0.00 0.00 0.00 0.00 44.72 43.40 3ika s GLY 719 CO 0.37 -1.06 -0.03 -1.35 0.00 0.00 0.00 173.10 171.03 3ika s SER 720 N -1.42 0.37 0.26 1.64 1.04 -1.26 -0.64 113.70 113.70 3ika s SER 720 Ca 0.07 -0.07 -0.21 0.00 0.48 0.00 0.00 55.95 56.22 3ika s SER 720 Cb -0.09 -0.04 0.03 0.00 0.10 0.00 0.00 66.02 66.02 3ika s SER 720 CO 0.03 0.03 0.69 -0.83 0.98 0.00 0.00 173.24 174.14 3ika s GLY 721 N -0.10 -0.16 0.47 7.32 0.00 0.81 -4.97 107.32 110.69 3ika s GLY 721 Ca 0.01 -0.20 0.15 0.00 0.00 0.00 0.00 44.72 44.68 3ika s GLY 721 CO -0.00 -0.07 2.05 0.00 0.00 0.00 0.00 173.10 175.08 3ika h ALA 722 N 2.01 1.81 -0.34 3.20 0.00 -2.02 0.12 119.26 124.03 3ika h ALA 722 Ca -0.22 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 3ika h ALA 722 Cb 1.26 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 3ika h ALA 722 CO 0.26 0.15 0.18 0.27 0.00 0.00 0.00 179.25 180.11 3ika h PHE 723 N 0.03 0.45 0.00 0.00 -5.15 -1.97 -3.43 116.94 106.87 3ika h PHE 723 Ca 0.01 -0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.78 3ika h PHE 723 Cb 0.19 -0.15 0.00 0.00 0.22 0.00 0.00 35.95 36.21 3ika h PHE 723 CO 0.00 0.32 0.00 0.41 -2.00 0.00 0.00 178.31 177.04 3ika n GLY 724 N -1.36 -0.44 2.97 6.09 0.00 0.41 -2.26 105.19 110.61 3ika n GLY 724 Ca 0.02 -1.00 -0.15 0.00 0.00 0.00 0.00 46.02 44.89 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 -3.44 0.40 -0.15 2.61 2.01 -0.12 -0.13 115.64 116.82 3ika s THR 725 Ca 0.00 -0.40 0.01 0.00 0.31 0.00 0.00 61.69 61.61 3ika s THR 725 Cb 0.00 -0.38 0.00 0.00 0.01 0.00 0.00 72.50 72.14 3ika s THR 725 CO 0.00 -0.01 -0.17 0.54 -0.69 0.00 0.00 174.62 174.29 3ika s VAL 726 N -0.40 2.50 0.16 3.82 0.11 0.19 0.11 120.40 126.89 3ika s VAL 726 Ca -0.01 -0.83 0.05 0.00 -2.93 0.00 0.00 61.98 58.26 3ika s VAL 726 Cb -0.04 -2.04 -0.04 0.00 -1.53 0.00 0.00 36.38 32.74 3ika s VAL 726 CO -0.00 0.52 0.16 -0.31 -3.33 0.00 0.00 175.10 172.14 3ika s TYR 727 N 0.80 3.21 -0.06 1.54 2.02 0.46 -2.05 117.35 123.26 3ika s TYR 727 Ca -0.06 0.01 -0.17 0.00 -0.37 0.00 0.00 57.07 56.47 3ika s TYR 727 Cb -0.15 -1.54 -0.05 0.00 -0.40 0.00 0.00 41.96 39.82 3ika s TYR 727 CO -0.00 0.52 0.47 0.21 -1.57 0.00 0.00 175.55 175.17 3ika s LYS 728 N -3.12 4.20 0.00 -0.62 2.20 0.21 -0.28 119.74 122.33 3ika s LYS 728 Ca 0.32 0.48 0.00 0.00 -0.36 0.00 0.00 55.97 56.40 3ika s LYS 728 Cb -0.10 -3.34 0.00 0.00 -1.51 0.00 0.00 37.83 32.87 3ika s LYS 728 CO 0.24 0.38 0.00 0.41 -0.36 0.00 0.00 175.35 176.03 3ika n GLY 729 N 2.62 2.93 3.15 5.54 0.00 0.17 0.11 105.19 119.71 3ika n GLY 729 Ca -0.10 -0.76 -0.21 0.00 0.00 0.00 0.00 46.02 44.96 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 2.16 -0.15 0.99 1.02 -0.40 -1.61 118.68 120.68 3ika s LEU 730 Ca 0.00 -0.45 -0.00 0.00 0.02 0.00 0.00 54.13 53.70 3ika s LEU 730 Cb 0.00 -0.64 -0.01 0.00 0.02 0.00 0.00 46.19 45.56 3ika s LEU 730 CO 0.00 0.05 -0.14 0.86 0.02 0.00 0.00 176.35 177.15 3ika s TRP 731 N -0.81 2.80 -0.40 0.29 -0.00 0.18 -1.24 118.94 119.76 3ika s TRP 731 Ca 0.02 -0.93 0.02 0.00 -0.00 0.00 0.00 56.10 55.22 3ika s TRP 731 Cb -0.08 -1.90 0.12 0.00 -0.00 0.00 0.00 33.47 31.61 3ika s TRP 731 CO 0.01 -0.41 0.16 0.42 -0.00 0.00 0.00 176.95 177.13 3ika s ILE 732 N 0.75 1.76 0.36 5.86 1.01 0.54 -0.69 121.20 130.79 3ika s ILE 732 Ca -0.06 -2.37 -0.28 0.00 0.00 0.00 0.00 60.65 57.94 3ika s ILE 732 Cb -0.15 -2.27 -0.11 0.00 0.01 0.00 0.00 42.46 39.95 3ika s ILE 732 CO 0.01 -0.74 1.40 -2.16 0.00 0.00 0.00 174.94 173.45 3ika s PRO 733 N 0.68 4.21 0.53 2.79 0.04 -1.26 -4.78 135.00 137.21 3ika s PRO 733 Ca 0.14 2.40 -0.22 0.00 0.04 0.00 0.00 61.00 63.36 3ika s PRO 733 Cb -0.22 -3.01 -0.05 0.00 0.04 0.00 0.00 34.50 31.27 3ika s PRO 733 CO -0.08 -0.38 1.28 -1.21 0.04 0.00 0.00 177.00 176.65 3ika s GLU 734 N -1.97 3.31 0.00 4.56 2.02 -1.26 -3.06 118.70 122.30 3ika s GLU 734 Ca 0.51 2.03 0.00 0.00 0.02 0.00 0.00 54.97 57.53 3ika s GLU 734 Cb -0.43 -2.26 0.00 0.00 0.10 0.00 0.00 34.13 31.54 3ika s GLU 734 CO 0.58 -0.99 0.00 0.41 0.02 0.00 0.00 175.26 175.28 3ika n GLY 735 N 0.61 1.31 3.74 -1.39 0.00 -1.26 -4.87 105.19 103.33 3ika n GLY 735 Ca 0.10 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 3ika n GLY 735 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ika s GLU 736 N 0.00 4.19 -0.35 1.61 2.02 -1.17 -4.87 118.70 120.12 3ika s GLU 736 Ca 0.00 2.45 -0.10 0.00 0.02 0.00 0.00 54.97 57.34 3ika s GLU 736 Cb 0.00 -3.08 0.02 0.00 0.10 0.00 0.00 34.13 31.17 3ika s GLU 736 CO 0.00 -0.58 0.18 0.15 0.02 0.00 0.00 175.26 175.04 3ika s LYS 737 N 0.08 2.95 0.02 1.61 1.02 -1.26 -4.38 119.74 119.77 3ika s LYS 737 Ca 0.65 -0.99 -0.28 0.00 0.02 0.00 0.00 55.97 55.37 3ika s LYS 737 Cb -0.45 -3.66 0.10 0.00 -0.52 0.00 0.00 37.83 33.29 3ika s LYS 737 CO 0.41 -0.62 0.82 0.14 -0.92 0.00 0.00 175.35 175.18 3ika s VAL 738 N 1.56 0.00 -0.18 3.17 -7.23 -1.26 -5.10 120.40 111.35 3ika s VAL 738 Ca 0.02 0.00 0.01 0.00 -1.81 0.00 0.00 61.98 60.20 3ika s VAL 738 Cb -0.19 -1.00 0.03 0.00 0.56 0.00 0.00 36.38 35.78 3ika s VAL 738 CO 0.06 0.00 -0.15 -0.54 -0.31 0.00 0.00 175.10 174.16 3ika s LYS 739 N -2.99 2.50 -0.27 4.82 1.02 -1.26 -4.44 119.74 119.12 3ika s LYS 739 Ca 0.03 -0.81 -0.11 0.00 0.02 0.00 0.00 55.97 55.10 3ika s LYS 739 Cb -0.01 -2.44 -0.05 0.00 -0.52 0.00 0.00 37.83 34.82 3ika s LYS 739 CO -0.08 -0.30 0.17 0.42 -0.92 0.00 0.00 175.35 174.64 3ika s ILE 740 N 1.35 5.24 0.07 2.17 1.09 0.14 -4.29 121.20 126.97 3ika s ILE 740 Ca 0.02 0.14 -0.31 0.00 -1.10 0.00 0.00 60.65 59.41 3ika s ILE 740 Cb -0.14 -3.48 -0.07 0.00 -1.06 0.00 0.00 42.46 37.71 3ika s ILE 740 CO -0.10 0.28 1.33 -2.16 -0.10 0.00 0.00 174.94 174.19 3ika s PRO 741 N 1.57 4.35 0.20 2.79 0.04 -1.26 0.49 135.00 143.18 3ika s PRO 741 Ca 0.07 1.96 -0.07 0.00 0.04 0.00 0.00 61.00 63.00 3ika s PRO 741 Cb -0.15 -3.34 -0.02 0.00 0.04 0.00 0.00 34.50 31.02 3ika s PRO 741 CO 0.09 -0.41 0.29 0.14 0.04 0.00 0.00 177.00 177.14 3ika s VAL 742 N 1.36 0.03 -0.18 -0.36 -7.23 -0.64 -2.14 120.40 111.24 3ika s VAL 742 Ca 0.63 -1.61 -0.01 0.00 -1.81 0.00 0.00 61.98 59.17 3ika s VAL 742 Cb -0.33 -2.17 -0.00 0.00 0.56 0.00 0.00 36.38 34.44 3ika s VAL 742 CO 0.29 -0.12 -0.12 0.00 -0.31 0.00 0.00 175.10 174.84 3ika s ALA 743 N -4.05 2.60 -0.21 1.32 0.00 0.13 -0.66 121.76 120.90 3ika s ALA 743 Ca 0.26 -1.09 -0.08 0.00 0.00 0.00 0.00 51.96 51.05 3ika s ALA 743 Cb 0.03 -1.39 -0.04 0.00 0.00 0.00 0.00 23.12 21.73 3ika s ALA 743 CO 0.07 -0.18 0.09 0.42 0.00 0.00 0.00 175.76 176.15 3ika s ILE 744 N 1.05 4.85 -0.29 0.00 1.09 0.62 -1.15 121.20 127.36 3ika s ILE 744 Ca -0.00 -0.01 -0.06 0.00 -1.10 0.00 0.00 60.65 59.47 3ika s ILE 744 Cb -0.15 -3.21 0.01 0.00 -1.06 0.00 0.00 42.46 38.05 3ika s ILE 744 CO -0.03 0.42 0.07 -0.75 -0.10 0.00 0.00 174.94 174.55 3ika s LYS 745 N 0.72 3.10 -0.19 2.79 2.20 -0.57 0.17 119.74 127.96 3ika s LYS 745 Ca 0.04 -0.85 -0.08 0.00 -0.36 0.00 0.00 55.97 54.73 3ika s LYS 745 Cb -0.13 -3.33 -0.04 0.00 -1.51 0.00 0.00 37.83 32.81 3ika s LYS 745 CO 0.02 -0.42 0.09 -2.00 -0.36 0.00 0.00 175.35 172.67 3ika s GLU 746 N 1.49 4.04 -0.01 4.03 2.12 0.12 -1.02 118.70 129.46 3ika s GLU 746 Ca 0.03 -0.31 0.01 0.00 0.36 0.00 0.00 54.97 55.06 3ika s GLU 746 Cb -0.17 -3.29 -0.04 0.00 0.26 0.00 0.00 34.13 30.90 3ika s GLU 746 CO 0.02 0.27 0.02 -0.51 -0.54 0.00 0.00 175.26 174.51 3ika s LEU 747 N 0.40 3.59 0.54 2.70 1.43 -0.73 -0.95 118.68 125.66 3ika s LEU 747 Ca 0.05 0.04 -0.21 0.00 -1.03 0.00 0.00 54.13 52.97 3ika s LEU 747 Cb -0.12 -2.04 -0.05 0.00 0.03 0.00 0.00 46.19 44.01 3ika s LEU 747 CO -0.00 0.29 1.25 -0.60 0.23 0.00 0.00 176.35 177.52 3ika s ARG 748 N -1.51 3.23 0.32 1.70 6.06 -0.96 -4.23 118.95 123.55 3ika s ARG 748 Ca 0.19 1.97 -0.26 0.00 -2.50 0.00 0.00 55.73 55.13 3ika s ARG 748 Cb -0.12 -2.17 -0.14 0.00 0.06 0.00 0.00 34.95 32.59 3ika s ARG 748 CO 0.10 -1.04 0.88 -1.91 -2.50 0.00 0.00 175.30 170.83 3ika n GLU 749 N -1.10 1.08 -2.67 5.12 4.07 -1.26 -4.83 120.64 121.05 3ika n GLU 749 Ca 0.11 0.38 -0.43 0.00 -0.06 0.00 0.00 57.16 57.16 3ika n GLU 749 Cb 0.47 -1.73 -0.02 0.00 -0.06 0.00 0.00 31.44 30.10 3ika n GLU 749 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3ika s ALA 750 N -1.16 3.59 0.16 4.31 0.00 -1.26 -4.92 121.76 122.49 3ika s ALA 750 Ca 0.61 0.04 -0.06 0.00 0.00 0.00 0.00 51.96 52.54 3ika s ALA 750 Cb -0.69 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 18.85 3ika s ALA 750 CO 0.59 -1.25 1.42 1.15 0.00 0.00 0.00 175.76 177.67 3ika h THR 751 N 5.59 1.32 -3.57 0.00 2.02 -1.97 -3.46 112.91 112.84 3ika h THR 751 Ca -0.20 -1.91 -0.38 0.00 0.77 0.00 0.00 66.41 64.69 3ika h THR 751 Cb 1.06 1.88 -0.18 0.00 -1.74 0.00 0.00 68.15 69.18 3ika h THR 751 CO 1.00 0.60 -0.75 -0.94 0.37 0.00 0.00 175.52 175.80 3ika s SER 752 N -6.98 1.85 0.29 4.18 1.04 -1.26 -5.02 113.70 107.80 3ika s SER 752 Ca -0.08 -0.84 0.04 0.00 0.48 0.00 0.00 55.95 55.54 3ika s SER 752 Cb 0.10 -0.04 0.71 0.00 0.10 0.00 0.00 66.02 66.89 3ika s SER 752 CO 0.86 -0.20 1.71 -0.65 0.98 0.00 0.00 173.24 175.95 3ika h PRO 753 N 3.41 0.45 0.31 4.02 0.10 -1.98 -2.05 132.00 136.25 3ika h PRO 753 Ca -0.39 -0.03 -0.02 0.00 0.10 0.00 0.00 66.00 65.67 3ika h PRO 753 Cb 1.19 -0.10 0.00 0.00 0.10 0.00 0.00 31.00 32.20 3ika h PRO 753 CO 0.53 0.30 -0.15 -0.22 0.10 0.00 0.00 178.00 178.56 3ika h LYS 754 N 0.47 -0.40 -0.54 1.05 1.63 -1.98 1.14 116.57 117.95 3ika h LYS 754 Ca 0.55 0.03 0.11 0.00 -0.85 0.00 0.00 60.65 60.49 3ika h LYS 754 Cb 1.00 0.09 -0.10 0.00 -0.60 0.00 0.00 32.23 32.62 3ika h LYS 754 CO -0.49 -0.25 -0.12 0.00 -3.45 0.00 0.00 179.45 175.13 3ika h ALA 755 N 0.27 0.37 -0.62 5.00 0.00 -1.89 0.06 119.26 122.45 3ika h ALA 755 Ca -0.04 0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3ika h ALA 755 Cb 0.33 0.40 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 3ika h ALA 755 CO 0.07 -0.43 0.36 -0.97 0.00 0.00 0.00 179.25 178.28 3ika h ASN 756 N 0.01 0.75 -0.72 0.00 -0.00 -0.68 -2.49 115.58 112.45 3ika h ASN 756 Ca 0.26 -0.07 0.04 0.00 -0.00 0.00 0.00 56.30 56.53 3ika h ASN 756 Cb 0.40 -0.19 -0.05 0.00 -0.00 0.00 0.00 38.32 38.48 3ika h ASN 756 CO -0.55 0.60 0.44 0.50 -0.00 0.00 0.00 177.43 178.43 3ika h LYS 757 N 0.84 0.83 0.00 6.67 3.64 0.30 -1.01 116.57 127.84 3ika h LYS 757 Ca 0.22 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.55 3ika h LYS 757 Cb -0.00 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 31.63 3ika h LYS 757 CO -0.04 0.55 -0.00 1.05 -2.27 0.00 0.00 179.45 178.74 3ika h GLU 758 N 0.86 0.00 -0.07 1.90 9.09 -0.61 -1.50 114.58 124.24 3ika h GLU 758 Ca 0.30 0.00 -0.20 0.00 0.05 0.00 0.00 59.36 59.51 3ika h GLU 758 Cb 0.06 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.16 3ika h GLU 758 CO -0.13 0.00 -0.78 0.82 0.05 0.00 0.00 179.01 178.97 3ika h ILE 759 N 0.00 1.37 0.00 -1.06 1.08 -0.91 -1.98 117.51 116.01 3ika h ILE 759 Ca -0.00 -2.19 -0.04 0.00 -0.39 0.00 0.00 64.86 62.24 3ika h ILE 759 Cb 0.26 2.17 -0.01 0.00 -3.07 0.00 0.00 36.82 36.17 3ika h ILE 759 CO 0.00 0.66 -0.18 -0.07 -0.69 0.00 0.00 178.15 177.87 3ika h LEU 760 N 0.29 0.00 -0.04 1.44 3.38 -1.07 -2.80 115.31 116.51 3ika h LEU 760 Ca -0.04 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 3ika h LEU 760 Cb 1.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.13 3ika h LEU 760 CO 0.14 0.18 -0.13 0.44 0.09 0.00 0.00 178.44 179.16 3ika h ASP 761 N 0.00 0.19 -0.24 -0.43 3.32 -1.09 -0.74 116.42 117.43 3ika h ASP 761 Ca -0.00 -0.61 0.06 0.00 0.02 0.00 0.00 57.03 56.50 3ika h ASP 761 Cb 0.72 -0.06 -0.07 0.00 0.22 0.00 0.00 39.33 40.15 3ika h ASP 761 CO 0.02 0.76 -0.24 -0.08 -1.72 0.00 0.00 179.24 177.99 3ika h GLU 762 N -0.38 -0.24 -0.60 3.56 4.81 -1.29 0.12 114.58 120.57 3ika h GLU 762 Ca -0.00 0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.22 3ika h GLU 762 Cb 0.74 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.15 3ika h GLU 762 CO 0.03 -0.16 0.28 0.00 -0.73 0.00 0.00 179.01 178.43 3ika h ALA 763 N 0.79 1.37 -0.42 2.92 0.00 -1.52 -1.06 119.26 121.34 3ika h ALA 763 Ca 0.13 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3ika h ALA 763 Cb 0.46 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3ika h ALA 763 CO -0.38 0.49 0.21 -0.92 0.00 0.00 0.00 179.25 178.65 3ika h TYR 764 N 0.84 0.59 -0.36 0.00 3.20 0.71 -1.41 116.97 120.55 3ika h TYR 764 Ca 0.21 -0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.98 3ika h TYR 764 Cb 0.10 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.17 3ika h TYR 764 CO 0.01 0.47 -0.08 -0.39 -1.64 0.00 0.00 178.16 176.52 3ika h VAL 765 N 0.54 1.28 -0.54 1.81 -1.51 -0.12 -2.97 116.25 114.72 3ika h VAL 765 Ca 0.14 -1.15 -0.04 0.00 -1.23 0.00 0.00 66.70 64.43 3ika h VAL 765 Cb 0.09 1.29 -0.03 0.00 -2.13 0.00 0.00 31.29 30.51 3ika h VAL 765 CO -0.02 0.38 0.19 -0.03 -1.23 0.00 0.00 177.57 176.86 3ika h MET 766 N 0.48 0.80 0.00 5.19 1.85 -0.97 -0.85 114.93 121.43 3ika h MET 766 Ca 0.09 -0.13 -0.10 0.00 -0.61 0.00 0.00 59.70 58.94 3ika h MET 766 Cb 0.59 -0.14 -0.01 0.00 0.43 0.00 0.00 31.60 32.47 3ika h MET 766 CO 0.03 0.68 -0.50 0.00 -0.40 0.00 0.00 176.91 176.73 3ika h ALA 767 N 1.43 1.01 -0.01 0.39 0.00 -1.30 -2.92 119.26 117.86 3ika h ALA 767 Ca 0.18 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3ika h ALA 767 Cb 0.20 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3ika h ALA 767 CO -0.01 0.62 -0.26 -1.13 0.00 0.00 0.00 179.25 178.47 3ika n SER 768 N -3.70 0.99 -4.42 0.00 3.41 -0.43 -4.44 113.62 105.03 3ika n SER 768 Ca -0.01 -0.86 -0.36 0.00 -0.26 0.00 0.00 58.87 57.38 3ika n SER 768 Cb 0.56 0.13 -0.13 0.00 -0.26 0.00 0.00 64.21 64.51 3ika n SER 768 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 3ika s VAL 769 N -2.51 4.08 -0.18 -3.33 -7.23 -0.60 -4.92 120.40 105.71 3ika s VAL 769 Ca 0.24 -0.25 0.01 0.00 -1.81 0.00 0.00 61.98 60.17 3ika s VAL 769 Cb 0.19 -2.89 0.03 0.00 0.56 0.00 0.00 36.38 34.27 3ika s VAL 769 CO 0.52 0.37 -0.16 -0.62 -0.31 0.00 0.00 175.10 174.90 3ika s ASP 770 N 1.47 3.19 -0.07 4.85 2.15 -1.26 -4.69 116.67 122.32 3ika s ASP 770 Ca 0.05 -0.72 -0.29 0.00 0.43 0.00 0.00 52.55 52.02 3ika s ASP 770 Cb -0.15 -1.37 0.10 0.00 -0.30 0.00 0.00 42.92 41.20 3ika s ASP 770 CO 0.02 -0.06 0.85 0.21 -0.17 0.00 0.00 175.17 176.02 3ika s ASN 771 N 1.34 -0.46 0.51 -0.34 2.47 -1.26 -5.02 114.94 112.18 3ika s ASN 771 Ca 0.03 0.36 0.25 0.00 0.42 0.00 0.00 52.86 53.92 3ika s ASN 771 Cb -0.14 0.41 1.40 0.00 -1.45 0.00 0.00 41.25 41.47 3ika s ASN 771 CO -0.11 -0.53 2.07 -0.65 -3.72 0.00 0.00 177.10 174.16 3ika h PRO 772 N 2.49 0.00 -0.27 0.43 0.11 -1.97 -3.11 132.00 129.68 3ika h PRO 772 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 3ika h PRO 772 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3ika h PRO 772 CO 0.34 0.12 0.00 0.72 -0.21 0.00 0.00 178.00 178.97 3ika n HIS 773 N -3.77 0.78 -4.30 0.65 8.25 -1.26 -4.82 115.22 110.75 3ika n HIS 773 Ca -0.02 -0.78 -0.18 0.00 -0.26 0.00 0.00 57.72 56.48 3ika n HIS 773 Cb 0.23 -0.23 -0.14 0.00 1.12 0.00 0.00 29.99 30.97 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 -2.35 0.83 0.54 1.59 1.01 -1.18 -0.88 120.40 119.97 3ika s VAL 774 Ca 0.36 -0.75 -0.19 0.00 0.00 0.00 0.00 61.98 61.41 3ika s VAL 774 Cb 0.28 -0.75 -0.06 0.00 0.00 0.00 0.00 36.38 35.85 3ika s VAL 774 CO 0.10 0.02 1.11 0.00 0.00 0.00 0.00 175.10 176.33 3ika s ARG 776 N -3.38 1.98 0.14 0.00 3.52 -1.26 -4.93 118.95 115.03 3ika s ARG 776 Ca 0.71 -0.99 -0.30 0.00 -0.13 0.00 0.00 55.73 55.01 3ika s ARG 776 Cb -0.22 -2.01 -0.07 0.00 -1.56 0.00 0.00 34.95 31.09 3ika s ARG 776 CO 0.27 0.54 1.18 -1.17 -0.81 0.00 0.00 175.30 175.32 3ika s LEU 777 N -0.84 4.43 -0.09 -0.88 2.96 -1.10 -4.14 118.68 119.02 3ika s LEU 777 Ca 0.11 2.14 -0.17 0.00 -0.22 0.00 0.00 54.13 55.99 3ika s LEU 777 Cb -0.10 -3.60 -0.28 0.00 0.50 0.00 0.00 46.19 42.71 3ika s LEU 777 CO 0.00 -0.38 0.64 -0.07 -1.32 0.00 0.00 176.35 175.22 3ika h LEU 778 N 5.76 0.42 -7.29 -0.68 4.07 0.36 -3.43 115.31 114.53 3ika h LEU 778 Ca -0.43 -0.88 0.23 0.00 0.08 0.00 0.00 57.88 56.88 3ika h LEU 778 Cb 1.21 -0.14 -0.12 0.00 1.08 0.00 0.00 40.66 42.69 3ika h LEU 778 CO 0.77 1.59 0.66 -0.83 -1.08 0.00 0.00 178.44 179.54 3ika s GLY 779 N -4.86 -0.34 0.20 0.83 0.00 -0.92 -4.34 107.32 97.89 3ika s GLY 779 Ca -0.18 0.73 0.11 0.00 0.00 0.00 0.00 44.72 45.37 3ika s GLY 779 CO 0.79 0.19 -0.22 -1.50 0.00 0.00 0.00 173.10 172.35 3ika s ILE 780 N -2.82 2.30 -0.11 0.90 2.07 -0.63 0.69 121.20 123.61 3ika s ILE 780 Ca 0.11 -2.08 0.00 0.00 -1.41 0.00 0.00 60.65 57.27 3ika s ILE 780 Cb 0.01 -2.12 0.02 0.00 0.13 0.00 0.00 42.46 40.50 3ika s ILE 780 CO -0.03 -0.20 -0.10 0.00 -1.91 0.00 0.00 174.94 172.71 3ika n LEU 782 N 4.69 7.58 -4.83 0.00 4.77 -1.26 -1.54 117.00 126.40 3ika n LEU 782 Ca -0.15 -4.70 -0.29 0.00 -0.03 0.00 0.00 56.01 50.84 3ika n LEU 782 Cb 0.50 -1.31 0.14 0.00 -2.33 0.00 0.00 43.42 40.42 3ika n LEU 782 CO 0.19 1.97 0.76 0.42 -1.33 0.00 0.00 177.39 179.40 3ika s THR 783 N -1.71 1.97 0.42 -5.08 -4.23 -1.26 -4.89 115.64 100.86 3ika s THR 783 Ca 0.54 0.00 0.14 0.00 -1.18 0.00 0.00 61.69 61.20 3ika s THR 783 Cb 0.24 -2.85 0.34 0.00 1.34 0.00 0.00 72.50 71.58 3ika s THR 783 CO -0.14 0.00 1.93 0.77 -0.54 0.00 0.00 174.62 176.64 3ika h SER 784 N -1.49 0.42 -3.62 3.99 4.64 -1.99 -2.71 113.55 112.79 3ika h SER 784 Ca -0.48 0.02 -0.68 0.00 -0.47 0.00 0.00 61.79 60.18 3ika h SER 784 Cb 1.31 -0.07 -0.26 0.00 -0.31 0.00 0.00 62.40 63.07 3ika h SER 784 CO 0.56 0.23 -0.61 0.42 -0.87 0.00 0.00 176.83 176.57 3ika s THR 785 N -5.44 4.00 0.72 2.95 -4.23 -1.26 -4.62 115.64 107.75 3ika s THR 785 Ca -0.08 -0.80 -0.13 0.00 -1.18 0.00 0.00 61.69 59.50 3ika s THR 785 Cb 0.21 -3.12 0.03 0.00 1.34 0.00 0.00 72.50 70.96 3ika s THR 785 CO 0.76 -0.01 1.12 -0.69 -0.54 0.00 0.00 174.62 175.27 3ika s VAL 786 N 1.49 3.03 -0.01 2.29 1.01 -1.02 -4.65 120.40 122.53 3ika s VAL 786 Ca 0.02 0.43 0.03 0.00 0.00 0.00 0.00 61.98 62.46 3ika s VAL 786 Cb -0.18 -2.92 -0.01 0.00 0.00 0.00 0.00 36.38 33.28 3ika s VAL 786 CO 0.03 -0.34 -0.10 -1.10 0.00 0.00 0.00 175.10 173.59 3ika s GLN 787 N -4.31 0.88 -0.12 2.72 -0.21 -0.59 -1.78 119.66 116.25 3ika s GLN 787 Ca 0.67 -0.37 -0.01 0.00 0.02 0.00 0.00 55.36 55.67 3ika s GLN 787 Cb -0.21 -0.84 -0.02 0.00 1.00 0.00 0.00 33.01 32.93 3ika s GLN 787 CO 0.47 0.21 -0.10 -0.51 -2.12 0.00 0.00 175.29 173.24 3ika s LEU 788 N -0.19 2.93 -0.20 2.90 1.43 -0.19 -0.57 118.68 124.79 3ika s LEU 788 Ca 0.03 -0.22 -0.07 0.00 -1.03 0.00 0.00 54.13 52.84 3ika s LEU 788 Cb -0.05 -1.67 -0.03 0.00 0.03 0.00 0.00 46.19 44.47 3ika s LEU 788 CO -0.00 0.20 0.04 -0.63 0.23 0.00 0.00 176.35 176.19 3ika s ILE 789 N 0.13 4.39 0.11 -0.59 1.09 0.22 -1.51 121.20 125.03 3ika s ILE 789 Ca -0.04 -0.16 0.04 0.00 -1.10 0.00 0.00 60.65 59.38 3ika s ILE 789 Cb -0.14 -3.00 -0.04 0.00 -1.06 0.00 0.00 42.46 38.22 3ika s ILE 789 CO 0.04 0.42 -0.10 -0.04 -0.10 0.00 0.00 174.94 175.15 3ika s MET 790 N 0.89 0.91 0.32 2.79 -1.94 -0.30 0.10 119.30 122.07 3ika s MET 790 Ca 0.03 -1.23 -0.29 0.00 -1.71 0.00 0.00 55.69 52.49 3ika s MET 790 Cb -0.14 -0.58 -0.11 0.00 2.01 0.00 0.00 34.83 36.01 3ika s MET 790 CO 0.02 0.09 1.47 -1.14 -0.01 0.00 0.00 175.02 175.45 3ika s GLN 791 N -2.98 4.20 0.27 2.03 0.74 -1.26 0.18 119.66 122.84 3ika s GLN 791 Ca 0.08 2.44 -0.29 0.00 0.05 0.00 0.00 55.36 57.64 3ika s GLN 791 Cb -0.02 -3.03 -0.09 0.00 1.10 0.00 0.00 33.01 30.96 3ika s GLN 791 CO 0.00 -0.46 1.13 -1.17 -0.55 0.00 0.00 175.29 174.24 3ika s LEU 792 N -1.26 4.53 -0.54 3.68 2.96 -0.91 -4.40 118.68 122.73 3ika s LEU 792 Ca 0.56 2.30 -0.14 0.00 -0.22 0.00 0.00 54.13 56.63 3ika s LEU 792 Cb -0.44 -3.63 0.13 0.00 0.50 0.00 0.00 46.19 42.75 3ika s LEU 792 CO 0.53 -0.21 0.48 -0.04 -1.32 0.00 0.00 176.35 175.79 3ika s MET 793 N -1.31 2.92 0.46 1.98 -1.94 -1.26 -4.93 119.30 115.22 3ika s MET 793 Ca 0.46 -1.77 0.26 0.00 -1.71 0.00 0.00 55.69 52.93 3ika s MET 793 Cb -0.33 -4.23 1.39 0.00 2.01 0.00 0.00 34.83 33.67 3ika s MET 793 CO 0.42 -1.30 1.76 -1.35 -0.01 0.00 0.00 175.02 174.53 3ika h PRO 794 N 8.73 0.00 -0.01 2.03 0.11 -1.72 -2.17 132.00 138.97 3ika h PRO 794 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 3ika h PRO 794 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3ika h PRO 794 CO 0.99 0.00 -0.37 1.19 -0.21 0.00 0.00 178.00 179.60 3ika n PHE 795 N -2.49 0.00 -2.59 0.65 3.72 -1.14 -5.10 117.46 110.51 3ika n PHE 795 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 3ika n PHE 795 Cb 0.19 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.73 3ika n PHE 795 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ika n GLY 796 N 1.14 -1.89 3.73 1.37 0.00 -0.82 -4.78 105.19 103.94 3ika n GLY 796 Ca 0.06 -1.63 -0.39 0.00 0.00 0.00 0.00 46.02 44.05 3ika n GLY 796 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ika n LEU 798 N 3.51 -0.04 -0.35 0.00 0.00 0.12 0.11 117.00 120.35 3ika n LEU 798 Ca -0.04 1.43 0.07 0.00 0.00 0.00 0.00 56.01 57.47 3ika n LEU 798 Cb 0.51 -0.55 0.17 0.00 0.00 0.00 0.00 43.42 43.55 3ika n LEU 798 CO 0.45 -1.47 0.69 0.25 0.00 0.00 0.00 177.39 177.30 3ika h LEU 799 N 0.00 -0.85 -0.42 -1.96 5.85 -1.74 0.52 115.31 116.71 3ika h LEU 799 Ca 0.54 0.29 -0.17 0.00 0.84 0.00 0.00 57.88 59.39 3ika h LEU 799 Cb 1.18 0.59 -0.00 0.00 0.37 0.00 0.00 40.66 42.80 3ika h LEU 799 CO -0.78 -0.33 -0.48 0.44 -0.34 0.00 0.00 178.44 176.95 3ika h ASP 800 N 0.00 0.86 -0.52 1.25 3.45 0.42 -3.27 116.42 118.62 3ika h ASP 800 Ca 0.50 -0.43 -0.02 0.00 0.43 0.00 0.00 57.03 57.51 3ika h ASP 800 Cb 0.82 -0.24 -0.02 0.00 -0.56 0.00 0.00 39.33 39.32 3ika h ASP 800 CO -1.01 1.20 0.24 0.22 -1.57 0.00 0.00 179.24 178.32 3ika h TYR 801 N 0.62 0.75 -0.48 4.55 3.20 0.25 -2.51 116.97 123.35 3ika h TYR 801 Ca 0.03 -0.04 -0.05 0.00 3.14 0.00 0.00 58.73 61.81 3ika h TYR 801 Cb 1.06 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 39.08 3ika h TYR 801 CO 0.06 0.60 0.08 -0.39 -1.64 0.00 0.00 178.16 176.87 3ika h VAL 802 N 0.69 1.22 -0.66 1.81 -1.51 -1.25 -2.02 116.25 114.54 3ika h VAL 802 Ca 0.18 -0.83 -0.07 0.00 -1.23 0.00 0.00 66.70 64.75 3ika h VAL 802 Cb 0.13 0.77 -0.03 0.00 -2.13 0.00 0.00 31.29 30.04 3ika h VAL 802 CO -0.02 0.30 0.14 0.03 -1.23 0.00 0.00 177.57 176.79 3ika h ARG 803 N 0.72 1.05 -0.30 5.19 3.08 -1.55 -2.61 114.38 119.95 3ika h ARG 803 Ca 0.15 -0.25 -0.12 0.00 0.07 0.00 0.00 59.98 59.83 3ika h ARG 803 Cb 0.33 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 3ika h ARG 803 CO 0.00 0.94 -0.32 0.93 -1.07 0.00 0.00 179.97 180.45 3ika h GLU 804 N 0.99 0.64 -0.43 0.04 4.39 -0.94 -3.35 114.58 115.91 3ika h GLU 804 Ca 0.21 -0.29 -0.32 0.00 0.34 0.00 0.00 59.36 59.30 3ika h GLU 804 Cb 0.37 -0.01 -0.25 0.00 -0.10 0.00 0.00 28.75 28.76 3ika h GLU 804 CO 0.00 0.88 -0.69 0.72 -1.16 0.00 0.00 179.01 178.77 3ika n HIS 805 N -4.07 1.59 -0.28 4.33 -0.00 -0.95 -4.71 115.22 111.13 3ika n HIS 805 Ca -0.01 -1.91 0.17 0.00 -0.00 0.00 0.00 57.72 55.97 3ika n HIS 805 Cb 0.47 -0.30 0.45 0.00 -0.00 0.00 0.00 29.99 30.61 3ika n HIS 805 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 176.34 177.21 3ika h LYS 806 N 1.69 0.52 -0.64 -0.41 1.57 -1.61 0.58 116.57 118.26 3ika h LYS 806 Ca 0.21 -0.03 0.03 0.00 -1.87 0.00 0.00 60.65 58.99 3ika h LYS 806 Cb 1.32 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 33.47 3ika h LYS 806 CO 0.44 0.34 0.42 -0.44 -0.57 0.00 0.00 179.45 179.65 3ika h ASP 807 N 0.54 0.67 -0.39 0.86 3.45 -1.88 -0.22 116.42 119.45 3ika h ASP 807 Ca 0.50 -0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.95 3ika h ASP 807 Cb 1.06 -0.16 0.00 0.00 -0.56 0.00 0.00 39.33 39.68 3ika h ASP 807 CO -0.24 0.46 0.00 0.59 -1.57 0.00 0.00 179.24 178.49 3ika n ASN 808 N -4.46 3.27 -4.73 6.45 4.13 0.18 -4.95 115.26 115.15 3ika n ASN 808 Ca 0.08 -1.93 -0.41 0.00 1.68 0.00 0.00 54.58 53.99 3ika n ASN 808 Cb 0.12 -0.25 -0.04 0.00 -1.54 0.00 0.00 39.78 38.06 3ika n ASN 808 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3ika s ILE 809 N -1.25 4.32 0.33 2.41 1.01 0.16 -4.79 121.20 123.39 3ika s ILE 809 Ca 0.34 1.91 0.06 0.00 0.00 0.00 0.00 60.65 62.97 3ika s ILE 809 Cb 0.20 -4.22 -0.06 0.00 0.01 0.00 0.00 42.46 38.38 3ika s ILE 809 CO 0.27 0.28 -0.02 -0.83 0.00 0.00 0.00 174.94 174.64 3ika s GLY 810 N 0.10 2.08 0.27 6.18 0.00 -1.26 -4.97 107.32 109.72 3ika s GLY 810 Ca 0.49 -2.05 -0.02 0.00 0.00 0.00 0.00 44.72 43.14 3ika s GLY 810 CO 0.31 -1.92 1.79 1.48 0.00 0.00 0.00 173.10 174.76 3ika h SER 811 N 2.10 0.76 -0.39 1.64 4.64 -1.90 -2.76 113.55 117.64 3ika h SER 811 Ca -0.41 -0.16 -0.05 0.00 -0.47 0.00 0.00 61.79 60.69 3ika h SER 811 Cb 1.24 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 63.11 3ika h SER 811 CO 0.71 0.80 0.08 -0.61 -0.87 0.00 0.00 176.83 176.94 3ika h GLN 812 N 0.76 0.72 0.57 4.77 5.75 -1.94 -2.35 115.11 123.39 3ika h GLN 812 Ca 0.16 -0.15 -0.03 0.00 -0.15 0.00 0.00 58.65 58.48 3ika h GLN 812 Cb 0.39 -0.11 0.01 0.00 1.07 0.00 0.00 27.48 28.83 3ika h GLN 812 CO 0.01 0.67 -0.27 1.88 -2.65 0.00 0.00 178.83 178.47 3ika h TYR 813 N 0.69 -0.71 -0.69 3.99 0.05 -1.86 -1.91 116.97 116.52 3ika h TYR 813 Ca 0.15 -0.02 0.10 0.00 0.05 0.00 0.00 58.73 59.01 3ika h TYR 813 Cb 0.30 0.24 -0.07 0.00 1.01 0.00 0.00 36.73 38.20 3ika h TYR 813 CO 0.01 -0.38 0.32 -0.07 -1.05 0.00 0.00 178.16 176.99 3ika h LEU 814 N -0.97 0.39 -0.34 3.88 3.38 -1.35 0.90 115.31 121.21 3ika h LEU 814 Ca -0.08 0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 3ika h LEU 814 Cb 0.65 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 3ika h LEU 814 CO 0.13 0.22 0.05 -0.07 0.09 0.00 0.00 178.44 178.86 3ika h LEU 815 N 0.54 0.54 -0.65 1.67 3.38 -1.51 -1.72 115.31 117.56 3ika h LEU 815 Ca 0.35 -0.26 0.06 0.00 0.09 0.00 0.00 57.88 58.11 3ika h LEU 815 Cb 0.40 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.95 3ika h LEU 815 CO -0.29 0.67 0.35 0.78 0.09 0.00 0.00 178.44 180.04 3ika h ASN 816 N 0.39 0.52 -0.26 -0.43 2.35 -0.43 -1.56 115.58 116.16 3ika h ASN 816 Ca 0.10 0.03 0.04 0.00 -0.55 0.00 0.00 56.30 55.92 3ika h ASN 816 Cb 0.36 -0.07 -0.04 0.00 0.05 0.00 0.00 38.32 38.62 3ika h ASN 816 CO 0.01 0.34 0.01 -0.50 -1.65 0.00 0.00 177.43 175.63 3ika h TRP 817 N 0.66 -0.00 -0.41 1.19 6.55 -0.68 0.22 115.95 123.48 3ika h TRP 817 Ca 0.29 0.02 0.09 0.00 0.95 0.00 0.00 58.89 60.23 3ika h TRP 817 Cb 0.18 0.04 -0.09 0.00 -0.86 0.00 0.00 29.16 28.43 3ika h TRP 817 CO -0.08 -0.03 -0.16 0.00 -1.05 0.00 0.00 178.44 177.11 3ika h VAL 819 N -0.08 1.08 -0.21 0.00 2.07 -0.26 0.23 116.25 119.09 3ika h VAL 819 Ca 0.20 -0.21 -0.02 0.00 0.82 0.00 0.00 66.70 67.49 3ika h VAL 819 Cb 0.39 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 3ika h VAL 819 CO -0.47 0.11 0.07 1.56 0.02 0.00 0.00 177.57 178.86 3ika h GLN 820 N 0.62 0.32 -0.82 1.57 4.20 0.11 0.10 115.11 121.21 3ika h GLN 820 Ca 0.19 -0.07 0.06 0.00 0.06 0.00 0.00 58.65 58.89 3ika h GLN 820 Cb -0.02 -0.05 -0.05 0.00 0.30 0.00 0.00 27.48 27.66 3ika h GLN 820 CO -0.07 0.41 0.54 0.82 -0.67 0.00 0.00 178.83 179.85 3ika h ILE 821 N 0.16 1.06 -0.12 2.54 2.04 -0.23 0.58 117.51 123.55 3ika h ILE 821 Ca 0.07 -0.32 -0.16 0.00 1.00 0.00 0.00 64.86 65.45 3ika h ILE 821 Cb 0.22 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.35 3ika h ILE 821 CO -0.00 0.17 -0.60 0.00 0.00 0.00 0.00 178.15 177.72 3ika h ALA 822 N 1.55 0.74 -0.48 1.87 0.00 -0.15 -1.34 119.26 121.45 3ika h ALA 822 Ca 0.35 -0.54 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 3ika h ALA 822 Cb 0.19 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3ika h ALA 822 CO -0.12 0.71 0.00 0.87 0.00 0.00 0.00 179.25 180.72 3ika h LYS 823 N 0.30 0.85 0.80 0.00 1.57 0.08 0.00 116.57 120.18 3ika h LYS 823 Ca -0.00 -0.27 -0.04 0.00 -1.87 0.00 0.00 60.65 58.47 3ika h LYS 823 Cb 1.13 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 33.36 3ika h LYS 823 CO 0.10 0.89 -0.47 0.78 -0.57 0.00 0.00 179.45 180.19 3ika h GLY 824 N 0.71 -1.31 0.05 3.86 0.00 -0.65 -2.13 103.07 103.60 3ika h GLY 824 Ca 0.14 0.52 0.22 0.00 0.00 0.00 0.00 47.33 48.20 3ika h GLY 824 CO 0.02 -0.45 0.62 -0.33 0.00 0.00 0.00 176.54 176.40 3ika h MET 825 N -1.18 0.61 -0.79 4.80 2.86 -1.24 0.08 114.93 120.08 3ika h MET 825 Ca -0.11 -0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.46 3ika h MET 825 Cb 0.93 -0.14 -0.04 0.00 0.06 0.00 0.00 31.60 32.42 3ika h MET 825 CO 0.13 0.40 0.36 -0.97 1.06 0.00 0.00 176.91 177.89 3ika h ASN 826 N 0.63 1.04 -0.68 1.22 -0.00 -0.55 -1.84 115.58 115.39 3ika h ASN 826 Ca 0.58 -0.13 0.01 0.00 -0.00 0.00 0.00 56.30 56.76 3ika h ASN 826 Cb 1.10 -0.27 -0.04 0.00 -0.00 0.00 0.00 38.32 39.12 3ika h ASN 826 CO -0.36 0.88 0.45 0.22 -0.00 0.00 0.00 177.43 178.62 3ika h TYR 827 N 1.12 0.85 -0.50 0.67 3.20 -0.34 0.28 116.97 122.24 3ika h TYR 827 Ca 0.27 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.14 3ika h TYR 827 Cb 0.14 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 38.10 3ika h TYR 827 CO 0.01 0.52 0.23 -0.07 -1.64 0.00 0.00 178.16 177.22 3ika h LEU 828 N 0.91 0.64 -1.03 2.82 3.38 -1.09 0.62 115.31 121.54 3ika h LEU 828 Ca 0.26 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 58.12 3ika h LEU 828 Cb -0.08 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 3ika h LEU 828 CO -0.06 0.56 0.15 -0.08 0.09 0.00 0.00 178.44 179.09 3ika h GLU 829 N 0.71 0.84 -0.16 1.13 4.81 -0.24 0.49 114.58 122.17 3ika h GLU 829 Ca 0.18 -0.17 -0.03 0.00 -0.13 0.00 0.00 59.36 59.21 3ika h GLU 829 Cb 0.10 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 3ika h GLU 829 CO -0.02 0.75 -0.06 -0.44 -0.73 0.00 0.00 179.01 178.51 3ika h ASP 830 N 0.82 0.22 -0.64 1.04 3.32 0.79 -2.17 116.42 119.78 3ika h ASP 830 Ca 0.18 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.20 3ika h ASP 830 Cb 0.28 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.77 3ika h ASP 830 CO -0.00 0.31 0.00 0.54 -1.72 0.00 0.00 179.24 178.37 3ika n ARG 831 N -4.34 2.93 -2.53 3.56 5.12 -0.61 -4.90 116.66 115.88 3ika n ARG 831 Ca -0.01 -2.49 -0.14 0.00 -1.93 0.00 0.00 57.85 53.28 3ika n ARG 831 Cb 0.21 -1.65 0.01 0.00 -1.16 0.00 0.00 32.46 29.87 3ika n ARG 831 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3ika n ARG 832 N 1.29 -2.28 -4.62 5.56 1.74 -0.79 -4.76 116.66 112.79 3ika n ARG 832 Ca 0.23 0.64 -0.32 0.00 -0.77 0.00 0.00 57.85 57.63 3ika n ARG 832 Cb 0.67 -4.88 -0.12 0.00 -1.02 0.00 0.00 32.46 27.11 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 -4.32 2.86 -0.17 0.55 1.43 0.07 -0.69 118.68 118.41 3ika s LEU 833 Ca 0.11 -0.27 -0.03 0.00 -1.03 0.00 0.00 54.13 52.91 3ika s LEU 833 Cb -0.05 -1.65 -0.02 0.00 0.03 0.00 0.00 46.19 44.50 3ika s LEU 833 CO 0.14 0.28 -0.05 -0.69 0.23 0.00 0.00 176.35 176.26 3ika s VAL 834 N -0.92 3.62 -0.04 -1.59 1.01 -0.21 -4.15 120.40 118.12 3ika s VAL 834 Ca 0.15 -0.44 -0.26 0.00 0.00 0.00 0.00 61.98 61.43 3ika s VAL 834 Cb -0.11 -2.59 -0.21 0.00 0.00 0.00 0.00 36.38 33.47 3ika s VAL 834 CO 0.05 0.47 1.15 -0.74 0.00 0.00 0.00 175.10 176.04 3ika h HIS 835 N 7.12 0.09 0.00 5.22 2.76 -1.91 -2.49 115.15 125.94 3ika h HIS 835 Ca -0.33 -0.04 0.00 0.00 -2.20 0.00 0.00 60.37 57.81 3ika h HIS 835 Cb 1.19 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 30.13 3ika h HIS 835 CO 0.55 0.67 0.00 0.54 -1.30 0.00 0.00 177.93 178.39 3ika n ARG 836 N -4.73 0.00 -1.11 5.26 1.74 -1.26 -3.62 116.66 112.94 3ika n ARG 836 Ca -0.09 0.00 0.02 0.00 -0.77 0.00 0.00 57.85 57.01 3ika n ARG 836 Cb 0.34 -2.33 0.01 0.00 -1.02 0.00 0.00 32.46 29.46 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 0.55 -4.77 0.55 -0.08 -1.26 -4.95 116.55 106.60 3ika n ASP 837 Ca 0.00 -1.98 -0.41 0.00 -1.51 0.00 0.00 54.79 50.89 3ika n ASP 837 Cb 0.00 -0.24 -0.01 0.00 2.34 0.00 0.00 41.12 43.22 3ika n ASP 837 CO 0.00 0.00 0.00 -0.22 0.12 0.00 0.00 177.20 177.10 3ika s LEU 838 N 0.00 4.34 -0.08 -2.67 2.96 -1.26 -4.80 118.68 117.18 3ika s LEU 838 Ca 0.20 2.97 -0.32 0.00 -0.22 0.00 0.00 54.13 56.76 3ika s LEU 838 Cb 0.23 -3.66 0.13 0.00 0.50 0.00 0.00 46.19 43.39 3ika s LEU 838 CO -0.10 -0.84 1.24 0.00 -1.32 0.00 0.00 176.35 175.33 3ika s ALA 839 N -0.80 -2.15 0.28 5.97 0.00 -1.26 -4.85 121.76 118.96 3ika s ALA 839 Ca 0.55 1.02 0.03 0.00 0.00 0.00 0.00 51.96 53.57 3ika s ALA 839 Cb -0.46 0.19 0.42 0.00 0.00 0.00 0.00 23.12 23.27 3ika s ALA 839 CO 0.57 -0.88 1.71 0.00 0.00 0.00 0.00 175.76 177.17 3ika h ALA 840 N 2.00 1.09 0.00 0.00 0.00 -1.92 -1.85 119.26 118.59 3ika h ALA 840 Ca -0.22 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.31 3ika h ALA 840 Cb 1.19 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 3ika h ALA 840 CO 0.26 0.56 -0.07 0.07 0.00 0.00 0.00 179.25 180.07 3ika h ARG 841 N 0.37 0.00 -0.58 0.00 0.11 -1.95 -0.55 114.38 111.78 3ika h ARG 841 Ca 0.05 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.13 3ika h ARG 841 Cb 0.71 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.79 3ika h ARG 841 CO 0.05 0.07 0.00 0.09 0.10 0.00 0.00 179.97 180.29 3ika n ASN 842 N -3.96 3.16 -4.28 0.08 3.02 -0.70 -4.77 115.26 107.81 3ika n ASN 842 Ca -0.03 -2.24 -0.33 0.00 -0.03 0.00 0.00 54.58 51.95 3ika n ASN 842 Cb 0.16 -0.44 -0.15 0.00 -0.61 0.00 0.00 39.78 38.74 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 -1.67 2.74 0.12 2.41 1.01 -0.23 -1.12 120.40 123.66 3ika s VAL 843 Ca 0.33 -0.74 0.03 0.00 0.00 0.00 0.00 61.98 61.59 3ika s VAL 843 Cb 0.21 -2.16 -0.04 0.00 0.00 0.00 0.00 36.38 34.39 3ika s VAL 843 CO 0.17 0.51 0.18 -0.76 0.00 0.00 0.00 175.10 175.20 3ika s LEU 844 N 0.79 4.07 -0.39 3.92 1.43 0.19 0.16 118.68 128.85 3ika s LEU 844 Ca -0.05 0.07 -0.09 0.00 -1.03 0.00 0.00 54.13 53.02 3ika s LEU 844 Cb -0.15 -2.69 0.06 0.00 0.03 0.00 0.00 46.19 43.44 3ika s LEU 844 CO 0.00 0.11 0.22 -0.69 0.23 0.00 0.00 176.35 176.23 3ika s VAL 845 N -1.60 4.28 -0.01 -1.59 1.01 0.20 -0.71 120.40 121.97 3ika s VAL 845 Ca 0.32 -1.20 -0.22 0.00 0.00 0.00 0.00 61.98 60.89 3ika s VAL 845 Cb -0.12 -3.52 -0.13 0.00 0.00 0.00 0.00 36.38 32.61 3ika s VAL 845 CO 0.25 -0.38 0.94 0.07 0.00 0.00 0.00 175.10 175.98 3ika h LYS 846 N 8.39 -0.57 -4.11 2.72 -0.00 -1.65 -3.01 116.57 118.33 3ika h LYS 846 Ca -0.24 0.04 -0.16 0.00 -0.00 0.00 0.00 60.65 60.29 3ika h LYS 846 Cb 1.09 0.13 -0.19 0.00 -0.00 0.00 0.00 32.23 33.26 3ika h LYS 846 CO 0.71 -0.29 -0.69 0.95 -0.00 0.00 0.00 179.45 180.13 3ika s THR 847 N -4.03 0.18 0.54 0.07 -4.23 -1.08 -4.15 115.64 102.94 3ika s THR 847 Ca -0.12 -1.25 0.24 0.00 -1.18 0.00 0.00 61.69 59.39 3ika s THR 847 Cb 0.01 -0.74 0.36 0.00 1.34 0.00 0.00 72.50 73.48 3ika s THR 847 CO 0.39 -0.67 2.04 -0.65 -0.54 0.00 0.00 174.62 175.20 3ika h PRO 848 N 4.10 0.00 0.00 3.99 0.11 -2.01 2.12 132.00 140.31 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 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3ika h PRO 848 CO 0.50 0.00 -0.08 1.04 -0.21 0.00 0.00 178.00 179.25 3ika n GLN 849 N -4.28 0.06 -4.40 1.05 6.02 -1.26 -4.82 117.38 109.75 3ika n GLN 849 Ca 0.06 0.04 -0.22 0.00 -0.01 0.00 0.00 57.00 56.87 3ika n GLN 849 Cb 0.45 -1.56 -0.16 0.00 1.02 0.00 0.00 30.24 29.99 3ika n GLN 849 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 3ika s HIS 850 N -3.02 1.10 0.22 1.08 5.04 0.72 -4.98 115.29 115.45 3ika s HIS 850 Ca 0.13 -0.36 0.04 0.00 -1.54 0.00 0.00 55.06 53.32 3ika s HIS 850 Cb 0.17 -0.85 -0.05 0.00 0.04 0.00 0.00 32.58 31.89 3ika s HIS 850 CO 0.57 -0.22 -0.02 0.14 -2.34 0.00 0.00 174.74 172.87 3ika s VAL 851 N 0.70 1.09 -0.02 0.89 -7.23 -1.26 -1.74 120.40 112.84 3ika s VAL 851 Ca -0.12 -2.04 -0.07 0.00 -1.81 0.00 0.00 61.98 57.93 3ika s VAL 851 Cb -0.14 -2.29 0.01 0.00 0.56 0.00 0.00 36.38 34.51 3ika s VAL 851 CO 0.02 -0.37 0.16 -0.54 -0.31 0.00 0.00 175.10 174.05 3ika s LYS 852 N -3.84 0.41 0.32 4.82 1.02 0.11 -4.57 119.74 118.01 3ika s LYS 852 Ca 0.27 -0.20 -0.27 0.00 0.02 0.00 0.00 55.97 55.79 3ika s LYS 852 Cb 0.05 0.18 -0.09 0.00 -0.52 0.00 0.00 37.83 37.44 3ika s LYS 852 CO 0.08 -0.09 1.03 0.42 -0.92 0.00 0.00 175.35 175.86 3ika s ILE 853 N -0.94 3.80 0.00 2.17 1.01 -0.06 0.56 121.20 127.73 3ika s ILE 853 Ca -0.10 1.60 0.00 0.00 0.00 0.00 0.00 60.65 62.15 3ika s ILE 853 Cb -0.06 -3.94 0.00 0.00 0.01 0.00 0.00 42.46 38.47 3ika s ILE 853 CO 0.01 0.23 0.00 1.07 0.00 0.00 0.00 174.94 176.25 3ika n THR 854 N 0.72 0.00 -3.84 2.92 5.66 -0.27 -1.52 114.28 117.95 3ika n THR 854 Ca 0.01 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 60.65 3ika n THR 854 Cb 0.48 -0.65 -0.11 0.00 -1.55 0.00 0.00 70.33 68.49 3ika n THR 854 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 3ika s ASP 855 N -2.35 5.57 0.00 1.09 2.15 -1.26 -4.88 116.67 116.98 3ika s ASP 855 Ca 0.00 -0.02 0.00 0.00 0.43 0.00 0.00 52.55 52.96 3ika s ASP 855 Cb 0.00 -1.99 0.00 0.00 -0.30 0.00 0.00 42.92 40.64 3ika s ASP 855 CO 0.00 0.07 0.61 0.49 -0.17 0.00 0.00 175.17 176.16 3ika n PHE 856 N 4.27 0.00 -0.42 -5.34 3.72 -1.26 -4.63 117.46 113.79 3ika n PHE 856 Ca -0.16 -0.10 0.34 0.00 -0.05 0.00 0.00 57.45 57.48 3ika n PHE 856 Cb 0.52 -0.01 0.63 0.00 -0.94 0.00 0.00 39.48 39.68 3ika n PHE 856 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3ika h GLY 857 N 0.04 1.15 -0.84 1.37 0.00 -1.93 -0.44 103.07 102.42 3ika h GLY 857 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.21 3ika h GLY 857 CO 0.00 -0.30 0.00 1.04 0.00 0.00 0.00 176.54 177.28 3ika n LEU 858 N -4.61 2.02 -4.78 3.11 4.77 -1.26 -5.01 117.00 111.24 3ika n LEU 858 Ca 0.34 -1.23 -0.41 0.00 -0.03 0.00 0.00 56.01 54.68 3ika n LEU 858 Cb 1.32 -0.05 -0.00 0.00 -2.33 0.00 0.00 43.42 42.36 3ika n LEU 858 CO 0.24 0.43 1.12 0.00 -1.33 0.00 0.00 177.39 177.85 3ika s ALA 859 N -0.84 3.57 -0.02 -1.18 0.00 -0.18 -4.74 121.76 118.37 3ika s ALA 859 Ca 0.13 1.54 0.04 0.00 0.00 0.00 0.00 51.96 53.66 3ika s ALA 859 Cb 0.08 -3.59 -0.01 0.00 0.00 0.00 0.00 23.12 19.60 3ika s ALA 859 CO 0.12 -1.01 -0.12 0.15 0.00 0.00 0.00 175.76 174.90 3ika s LYS 860 N -2.04 1.07 0.04 0.00 -0.14 -0.94 -4.96 119.74 112.77 3ika s LYS 860 Ca 0.52 -0.43 -0.12 0.00 -1.36 0.00 0.00 55.97 54.58 3ika s LYS 860 Cb -0.46 -1.01 -0.06 0.00 -1.68 0.00 0.00 37.83 34.62 3ika s LYS 860 CO 0.62 0.23 0.40 -1.17 -0.76 0.00 0.00 175.35 174.67 3ika s LEU 861 N -0.14 4.41 -0.05 3.17 2.96 -1.26 -1.04 118.68 126.72 3ika s LEU 861 Ca 0.02 0.88 -0.01 0.00 -0.22 0.00 0.00 54.13 54.81 3ika s LEU 861 Cb -0.06 -2.76 -0.03 0.00 0.50 0.00 0.00 46.19 43.83 3ika s LEU 861 CO -0.00 0.26 0.00 -0.76 -1.32 0.00 0.00 176.35 174.53 3ika s LEU 862 N -1.46 3.56 0.55 -0.68 1.43 0.14 -4.98 118.68 117.23 3ika s LEU 862 Ca 0.28 0.09 -0.19 0.00 -1.03 0.00 0.00 54.13 53.27 3ika s LEU 862 Cb -0.15 -1.90 -0.06 0.00 0.03 0.00 0.00 46.19 44.11 3ika s LEU 862 CO 0.15 0.34 1.14 -0.83 0.23 0.00 0.00 176.35 177.38 3ika s GLY 863 N -1.14 2.64 0.48 -3.19 0.00 -1.26 -4.88 107.32 99.97 3ika s GLY 863 Ca 0.16 0.84 0.15 0.00 0.00 0.00 0.00 44.72 45.86 3ika s GLY 863 CO 0.05 1.20 2.09 0.00 0.00 0.00 0.00 173.10 176.44 3ika h ALA 864 N 1.16 1.99 -0.10 3.20 0.00 -2.00 1.06 119.26 124.58 3ika h ALA 864 Ca -0.50 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3ika h ALA 864 Cb 1.26 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3ika h ALA 864 CO 0.57 -0.03 0.00 -0.85 0.00 0.00 0.00 179.25 178.93 3ika n GLU 865 N -4.49 1.71 -4.36 0.00 -0.00 -1.26 -4.89 120.64 107.35 3ika n GLU 865 Ca 0.02 -1.06 -0.34 0.00 -0.00 0.00 0.00 57.16 55.78 3ika n GLU 865 Cb 0.18 -1.44 -0.11 0.00 -0.00 0.00 0.00 31.44 30.07 3ika n GLU 865 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.13 175.92 3ika s GLU 866 N -1.89 3.58 0.00 3.44 2.02 0.37 -4.92 118.70 121.31 3ika s GLU 866 Ca 0.35 -0.48 0.04 0.00 0.02 0.00 0.00 54.97 54.90 3ika s GLU 866 Cb 0.19 -2.92 0.05 0.00 0.10 0.00 0.00 34.13 31.55 3ika s GLU 866 CO 0.30 0.33 0.77 1.63 0.02 0.00 0.00 175.26 178.31 3ika n LYS 867 N 3.29 0.63 -3.95 1.61 5.02 -1.26 -4.55 118.16 118.95 3ika n LYS 867 Ca -0.17 -1.04 -0.09 0.00 -2.02 0.00 0.00 58.31 54.99 3ika n LYS 867 Cb 0.53 -1.08 -0.09 0.00 -0.02 0.00 0.00 35.03 34.37 3ika n LYS 867 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 3ika s GLU 868 N -0.54 0.66 -0.03 1.97 -1.05 -1.26 -4.78 118.70 113.67 3ika s GLU 868 Ca 0.06 -0.91 0.05 0.00 -0.15 0.00 0.00 54.97 54.01 3ika s GLU 868 Cb 0.04 0.25 -0.01 0.00 -0.44 0.00 0.00 34.13 33.97 3ika s GLU 868 CO 0.05 -0.17 -0.17 -0.47 0.95 0.00 0.00 175.26 175.45 3ika s TYR 869 N -3.23 1.65 -0.03 4.83 5.04 -0.08 -4.95 117.35 120.58 3ika s TYR 869 Ca 0.00 -0.42 0.07 0.00 -2.44 0.00 0.00 57.07 54.29 3ika s TYR 869 Cb 0.02 -1.09 -0.02 0.00 0.35 0.00 0.00 41.96 41.22 3ika s TYR 869 CO -0.07 -0.12 -0.26 -1.58 -1.34 0.00 0.00 175.55 172.19 3ika s HIS 870 N -0.12 2.34 -0.14 4.97 5.65 -1.26 -0.68 115.29 126.06 3ika s HIS 870 Ca -0.00 -0.52 0.02 0.00 0.25 0.00 0.00 55.06 54.81 3ika s HIS 870 Cb -0.10 -1.52 0.01 0.00 -1.18 0.00 0.00 32.58 29.80 3ika s HIS 870 CO 0.01 -0.09 -0.20 0.00 -0.65 0.00 0.00 174.74 173.81 3ika s ALA 871 N -0.48 2.13 0.11 1.58 0.00 -1.01 -5.02 121.76 119.09 3ika s ALA 871 Ca 0.06 -1.03 -0.17 0.00 0.00 0.00 0.00 51.96 50.82 3ika s ALA 871 Cb -0.11 -0.98 -0.04 0.00 0.00 0.00 0.00 23.12 21.99 3ika s ALA 871 CO 0.00 -0.08 1.64 0.93 0.00 0.00 0.00 175.76 178.26 3ika h GLU 872 N 7.42 0.49 -2.01 0.00 3.07 -1.98 -3.46 114.58 118.11 3ika h GLU 872 Ca -0.34 -0.10 0.25 0.00 -0.50 0.00 0.00 59.36 58.67 3ika h GLU 872 Cb 1.18 -0.07 -0.09 0.00 -0.84 0.00 0.00 28.75 28.93 3ika h GLU 872 CO 0.55 0.52 0.68 0.20 -1.40 0.00 0.00 179.01 179.56 3ika s GLY 873 N -2.91 -0.22 0.00 -3.84 0.00 -1.26 -5.14 107.32 93.94 3ika s GLY 873 Ca -0.13 0.24 0.00 0.00 0.00 0.00 0.00 44.72 44.83 3ika s GLY 873 CO 0.74 1.13 0.00 0.61 0.00 0.00 0.00 173.10 175.58 3ika n GLY 874 N -0.57 -0.50 3.19 0.20 0.00 -1.26 -5.10 105.19 101.15 3ika n GLY 874 Ca -0.05 -0.99 -0.31 0.00 0.00 0.00 0.00 46.02 44.67 3ika n GLY 874 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3ika s LYS 875 N -1.91 2.75 0.05 1.61 2.20 -1.26 -5.13 119.74 118.06 3ika s LYS 875 Ca 0.00 -0.79 0.03 0.00 -0.36 0.00 0.00 55.97 54.85 3ika s LYS 875 Cb 0.00 -2.12 -0.03 0.00 -1.51 0.00 0.00 37.83 34.18 3ika s LYS 875 CO 0.00 0.17 -0.10 0.14 -0.36 0.00 0.00 175.35 175.20 3ika s VAL 876 N 0.35 0.77 -0.54 4.02 -7.23 -1.26 -5.10 120.40 111.41 3ika s VAL 876 Ca -0.17 -1.17 -0.22 0.00 -1.81 0.00 0.00 61.98 58.61 3ika s VAL 876 Cb -0.17 -0.80 0.05 0.00 0.56 0.00 0.00 36.38 36.02 3ika s VAL 876 CO 0.08 -0.32 0.82 -2.16 -0.31 0.00 0.00 175.10 173.20 3ika s PRO 877 N -1.66 3.24 -0.03 4.82 0.04 -1.26 -4.94 135.00 135.21 3ika s PRO 877 Ca -0.07 -0.53 -0.25 0.00 0.04 0.00 0.00 61.00 60.19 3ika s PRO 877 Cb -0.10 -4.08 -0.20 0.00 0.04 0.00 0.00 34.50 30.17 3ika s PRO 877 CO 0.01 -1.40 1.16 0.82 0.04 0.00 0.00 177.00 177.63 3ika h ILE 878 N 5.96 1.28 0.00 0.56 1.08 -1.96 -3.03 117.51 121.41 3ika h ILE 878 Ca -0.27 -1.20 0.00 0.00 -0.39 0.00 0.00 64.86 63.00 3ika h ILE 878 Cb 1.08 2.06 0.00 0.00 -3.07 0.00 0.00 36.82 36.89 3ika h ILE 878 CO 1.04 0.30 0.00 0.29 -0.69 0.00 0.00 178.15 179.09 3ika n LYS 879 N -4.87 0.12 0.00 2.37 5.02 -1.26 0.16 118.16 119.71 3ika n LYS 879 Ca -0.09 0.08 0.06 0.00 -2.02 0.00 0.00 58.31 56.35 3ika n LYS 879 Cb 0.27 -1.50 0.05 0.00 -0.02 0.00 0.00 35.03 33.83 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 -1.09 0.00 -3.86 2.13 8.01 -1.14 -4.95 117.44 116.53 3ika n TRP 880 Ca 0.03 0.00 -0.33 0.00 -1.31 0.00 0.00 57.50 55.89 3ika n TRP 880 Cb 0.02 0.00 -0.05 0.00 -2.01 0.00 0.00 31.31 29.27 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 -1.10 3.48 0.33 -0.99 -1.94 0.43 -3.84 119.30 115.67 3ika s MET 881 Ca 0.15 -0.26 -0.29 0.00 -1.71 0.00 0.00 55.69 53.58 3ika s MET 881 Cb 0.11 -3.07 -0.10 0.00 2.01 0.00 0.00 34.83 33.77 3ika s MET 881 CO 0.17 0.65 1.28 0.00 -0.01 0.00 0.00 175.02 177.11 3ika s ALA 882 N -1.35 3.47 0.34 3.03 0.00 -1.26 -4.88 121.76 121.11 3ika s ALA 882 Ca 0.29 1.22 0.15 0.00 0.00 0.00 0.00 51.96 53.61 3ika s ALA 882 Cb -0.13 -3.46 1.11 0.00 0.00 0.00 0.00 23.12 20.64 3ika s ALA 882 CO 0.19 -0.60 1.63 1.25 0.00 0.00 0.00 175.76 178.24 3ika h LEU 883 N 3.37 0.37 -0.37 0.00 5.85 -1.94 0.73 115.31 123.32 3ika h LEU 883 Ca -0.49 0.21 -0.03 0.00 0.84 0.00 0.00 57.88 58.42 3ika h LEU 883 Cb 1.23 0.20 -0.02 0.00 0.37 0.00 0.00 40.66 42.44 3ika h LEU 883 CO 0.65 -0.23 0.13 1.05 -0.34 0.00 0.00 178.44 179.70 3ika h GLU 884 N 0.21 0.57 -0.95 1.25 4.11 -1.91 0.49 114.58 118.35 3ika h GLU 884 Ca 0.74 -0.12 0.01 0.00 0.07 0.00 0.00 59.36 60.07 3ika h GLU 884 Cb 1.76 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 30.88 3ika h GLU 884 CO -0.67 0.58 0.63 0.77 0.07 0.00 0.00 179.01 180.39 3ika h SER 885 N 0.46 1.08 -0.19 3.06 0.02 -0.90 3.25 113.55 120.32 3ika h SER 885 Ca 0.12 -0.03 -0.06 0.00 -0.84 0.00 0.00 61.79 60.99 3ika h SER 885 Cb 0.24 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.50 3ika h SER 885 CO -0.01 0.78 -0.11 0.40 -1.14 0.00 0.00 176.83 176.75 3ika h ILE 886 N 1.28 1.31 -0.26 3.27 2.04 -1.02 1.06 117.51 125.19 3ika h ILE 886 Ca 0.35 -1.20 -0.10 0.00 1.00 0.00 0.00 64.86 64.91 3ika h ILE 886 Cb -0.13 1.68 -0.00 0.00 -0.74 0.00 0.00 36.82 37.63 3ika h ILE 886 CO -0.08 0.36 -0.24 -0.07 0.00 0.00 0.00 178.15 178.12 3ika h LEU 887 N 0.11 0.66 -1.92 1.44 4.07 0.44 -3.40 115.31 116.71 3ika h LEU 887 Ca 0.04 -0.47 0.00 0.00 0.08 0.00 0.00 57.88 57.53 3ika h LEU 887 Cb 0.61 -0.18 0.00 0.00 1.08 0.00 0.00 40.66 42.17 3ika h LEU 887 CO 0.03 0.99 0.00 1.41 -1.08 0.00 0.00 178.44 179.79 3ika n HIS 888 N -4.34 0.00 -3.01 1.13 8.25 1.08 -4.97 115.22 113.36 3ika n HIS 888 Ca -0.04 -0.24 -0.21 0.00 -0.26 0.00 0.00 57.72 56.97 3ika n HIS 888 Cb 0.44 -0.02 0.01 0.00 1.12 0.00 0.00 29.99 31.53 3ika n HIS 888 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3ika n ARG 889 N -0.24 -3.54 -3.70 -0.41 3.00 0.37 -4.77 116.66 107.37 3ika n ARG 889 Ca 0.00 0.67 -0.37 0.00 -0.01 0.00 0.00 57.85 58.14 3ika n ARG 889 Cb 0.15 -5.40 -0.11 0.00 0.00 0.00 0.00 32.46 27.10 3ika n ARG 889 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 3ika s ILE 890 N -2.95 5.09 -0.04 0.55 1.01 -1.25 -2.41 121.20 121.19 3ika s ILE 890 Ca 0.26 0.09 0.07 0.00 0.00 0.00 0.00 60.65 61.07 3ika s ILE 890 Cb -0.13 -3.38 -0.01 0.00 0.01 0.00 0.00 42.46 38.95 3ika s ILE 890 CO 0.33 0.33 -0.25 -0.31 0.00 0.00 0.00 174.94 175.04 3ika s TYR 891 N 1.28 2.30 0.24 3.97 2.02 0.14 -3.43 117.35 123.87 3ika s TYR 891 Ca 0.07 -0.57 -0.13 0.00 -0.37 0.00 0.00 57.07 56.07 3ika s TYR 891 Cb -0.14 -1.50 -0.00 0.00 -0.40 0.00 0.00 41.96 39.92 3ika s TYR 891 CO 0.06 -0.13 0.47 0.95 -1.57 0.00 0.00 175.55 175.33 3ika s THR 892 N -0.35 0.00 0.55 -0.71 -4.23 -1.26 -0.90 115.64 108.73 3ika s THR 892 Ca 0.03 -1.39 0.24 0.00 -1.18 0.00 0.00 61.69 59.39 3ika s THR 892 Cb -0.12 -2.16 0.31 0.00 1.34 0.00 0.00 72.50 71.87 3ika s THR 892 CO 0.01 -0.02 2.19 0.45 -0.54 0.00 0.00 174.62 176.72 3ika h HIS 893 N 2.27 0.00 0.00 3.99 3.86 -1.91 0.50 115.15 123.86 3ika h HIS 893 Ca -0.27 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 58.90 3ika h HIS 893 Cb 1.25 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.71 3ika h HIS 893 CO 0.39 0.02 -0.19 1.96 0.86 0.00 0.00 177.93 180.97 3ika h GLN 894 N 0.00 0.00 0.00 2.45 1.08 -1.94 -2.57 115.11 114.13 3ika h GLN 894 Ca -0.00 0.00 -0.13 0.00 -1.45 0.00 0.00 58.65 57.07 3ika h GLN 894 Cb 0.05 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.46 3ika h GLN 894 CO 0.00 0.19 -0.60 0.66 -0.95 0.00 0.00 178.83 178.13 3ika h SER 895 N 0.00 0.00 -0.42 1.46 4.64 -0.37 -3.01 113.55 115.84 3ika h SER 895 Ca -0.00 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.18 3ika h SER 895 Cb 0.92 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.00 3ika h SER 895 CO 0.03 0.60 -0.27 0.44 -0.87 0.00 0.00 176.83 176.76 3ika h ASP 896 N 0.00 0.97 -0.95 4.97 3.45 -1.08 -3.00 116.42 120.79 3ika h ASP 896 Ca -0.01 -0.43 0.14 0.00 0.43 0.00 0.00 57.03 57.17 3ika h ASP 896 Cb 1.16 -0.27 -0.09 0.00 -0.56 0.00 0.00 39.33 39.57 3ika h ASP 896 CO 0.08 1.19 0.56 0.58 -1.57 0.00 0.00 179.24 180.08 3ika h VAL 897 N 0.76 0.83 -0.68 -1.35 2.07 -1.37 0.82 116.25 117.33 3ika h VAL 897 Ca 0.09 -0.29 0.08 0.00 0.82 0.00 0.00 66.70 67.40 3ika h VAL 897 Cb 0.85 -0.08 -0.07 0.00 -1.52 0.00 0.00 31.29 30.48 3ika h VAL 897 CO 0.08 0.15 0.34 -0.25 0.02 0.00 0.00 177.57 177.91 3ika h TRP 898 N 0.84 0.62 -0.53 1.57 2.91 -1.46 -0.47 115.95 119.43 3ika h TRP 898 Ca 0.50 0.03 -0.08 0.00 1.13 0.00 0.00 58.89 60.46 3ika h TRP 898 Cb 0.60 -0.18 -0.02 0.00 -0.51 0.00 0.00 29.16 29.06 3ika h TRP 898 CO -0.03 0.24 0.01 0.77 -1.03 0.00 0.00 178.44 178.40 3ika h SER 899 N 0.60 0.91 -0.96 2.65 0.02 0.39 -2.00 113.55 115.16 3ika h SER 899 Ca 0.33 -0.30 0.18 0.00 -0.84 0.00 0.00 61.79 61.16 3ika h SER 899 Cb 0.31 -0.24 -0.09 0.00 0.14 0.00 0.00 62.40 62.52 3ika h SER 899 CO -0.25 0.99 0.61 0.22 -1.14 0.00 0.00 176.83 177.26 3ika h TYR 900 N 0.80 0.86 -0.12 3.45 3.20 0.17 0.27 116.97 125.61 3ika h TYR 900 Ca 0.15 0.03 -0.15 0.00 3.14 0.00 0.00 58.73 61.89 3ika h TYR 900 Cb 0.52 -0.26 0.01 0.00 1.54 0.00 0.00 36.73 38.53 3ika h TYR 900 CO 0.04 0.23 -0.53 0.78 -1.64 0.00 0.00 178.16 177.04 3ika h GLY 901 N 0.65 0.62 2.00 1.82 0.00 -0.56 -1.19 103.07 106.41 3ika h GLY 901 Ca 0.52 -0.86 -0.02 0.00 0.00 0.00 0.00 47.33 46.97 3ika h GLY 901 CO -0.28 0.77 -0.10 -2.08 0.00 0.00 0.00 176.54 174.85 3ika h VAL 902 N 0.18 0.59 -0.05 4.60 2.07 -0.48 0.90 116.25 124.06 3ika h VAL 902 Ca -0.03 -0.44 -0.25 0.00 0.82 0.00 0.00 66.70 66.80 3ika h VAL 902 Cb 1.17 1.28 0.02 0.00 -1.52 0.00 0.00 31.29 32.23 3ika h VAL 902 CO 0.11 0.10 -0.95 0.74 0.02 0.00 0.00 177.57 177.58 3ika h THR 903 N 0.00 1.29 -0.56 2.57 2.02 -0.26 -1.12 112.91 116.84 3ika h THR 903 Ca -0.00 -2.18 -0.05 0.00 0.77 0.00 0.00 66.41 64.95 3ika h THR 903 Cb 0.27 2.26 -0.02 0.00 -1.74 0.00 0.00 68.15 68.92 3ika h THR 903 CO 0.01 0.68 0.15 0.58 0.37 0.00 0.00 175.52 177.31 3ika h VAL 904 N 0.42 1.24 -0.87 3.16 2.07 0.08 -2.03 116.25 120.32 3ika h VAL 904 Ca -0.10 -0.85 0.03 0.00 0.82 0.00 0.00 66.70 66.59 3ika h VAL 904 Cb 1.60 0.73 -0.05 0.00 -1.52 0.00 0.00 31.29 32.05 3ika h VAL 904 CO 0.19 0.32 0.57 -0.25 0.02 0.00 0.00 177.57 178.41 3ika h TRP 905 N 0.79 1.07 -0.98 1.57 7.01 -0.76 0.26 115.95 124.91 3ika h TRP 905 Ca 0.18 0.03 0.02 0.00 2.11 0.00 0.00 58.89 61.22 3ika h TRP 905 Cb 0.32 -0.36 -0.05 0.00 -2.10 0.00 0.00 29.16 26.97 3ika h TRP 905 CO 0.02 0.63 0.65 0.93 -2.79 0.00 0.00 178.44 177.88 3ika h GLU 906 N 1.12 1.27 -0.01 2.65 5.08 -0.51 -1.44 114.58 122.74 3ika h GLU 906 Ca 0.34 -0.08 -0.25 0.00 -1.00 0.00 0.00 59.36 58.37 3ika h GLU 906 Cb -0.04 -0.29 0.02 0.00 0.50 0.00 0.00 28.75 28.94 3ika h GLU 906 CO -0.10 0.84 -1.00 -0.07 -1.00 0.00 0.00 179.01 177.68 3ika h LEU 907 N 1.31 0.80 -0.99 1.33 3.38 -0.38 -0.30 115.31 120.46 3ika h LEU 907 Ca 0.37 -0.63 -0.09 0.00 0.09 0.00 0.00 57.88 57.61 3ika h LEU 907 Cb -0.12 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.37 3ika h LEU 907 CO -0.09 1.43 -0.44 0.24 0.09 0.00 0.00 178.44 179.68 3ika h MET 908 N 0.36 0.00 -0.65 1.13 2.86 -0.20 -2.56 114.93 115.86 3ika h MET 908 Ca -0.11 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.53 3ika h MET 908 Cb 1.64 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.30 3ika h MET 908 CO 0.19 0.44 0.00 0.25 1.06 0.00 0.00 176.91 178.85 3ika n THR 909 N -3.73 1.79 -3.95 2.22 -2.24 -0.58 -4.73 114.28 103.06 3ika n THR 909 Ca -0.01 -1.01 -0.26 0.00 -2.27 0.00 0.00 64.05 60.50 3ika n THR 909 Cb 0.51 -0.13 -0.02 0.00 -2.10 0.00 0.00 70.33 68.59 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 -1.67 0.00 4.78 3.72 -0.97 -2.74 117.46 121.28 3ika n PHE 910 Ca 0.21 0.75 0.00 0.00 -0.05 0.00 0.00 57.45 58.37 3ika n PHE 910 Cb 0.86 -3.75 0.00 0.00 -0.94 0.00 0.00 39.48 35.65 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 -1.94 1.01 3.72 1.37 0.00 -0.14 -4.28 105.19 104.93 3ika n GLY 911 Ca -0.29 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.00 3.78 -0.12 1.61 0.01 -1.11 -4.99 113.70 110.89 3ika s SER 912 Ca 0.00 1.90 -0.10 0.00 1.31 0.00 0.00 55.95 59.06 3ika s SER 912 Cb 0.00 -2.50 -0.05 0.00 0.21 0.00 0.00 66.02 63.69 3ika s SER 912 CO 0.00 -2.51 0.22 -0.54 0.41 0.00 0.00 173.24 170.82 3ika s LYS 913 N -4.81 3.84 0.08 12.44 1.02 -1.26 -4.79 119.74 126.25 3ika s LYS 913 Ca 0.63 -0.00 -0.31 0.00 0.02 0.00 0.00 55.97 56.31 3ika s LYS 913 Cb -0.19 -3.29 -0.09 0.00 -0.52 0.00 0.00 37.83 33.74 3ika s LYS 913 CO 0.57 0.56 1.68 -2.14 -0.92 0.00 0.00 175.35 175.11 3ika s PRO 914 N -0.47 4.19 -1.30 -1.68 0.02 -1.26 -2.75 135.00 131.74 3ika s PRO 914 Ca 0.16 2.37 -0.02 0.00 0.02 0.00 0.00 61.00 63.53 3ika s PRO 914 Cb -0.13 -3.61 -0.00 0.00 0.02 0.00 0.00 34.50 30.78 3ika s PRO 914 CO 0.05 -0.75 0.66 0.66 -0.33 0.00 0.00 177.00 177.28 3ika n TYR 915 N 5.64 -1.87 -1.67 6.54 4.01 -1.26 -4.87 117.16 123.69 3ika n TYR 915 Ca 0.16 0.79 -0.39 0.00 -0.16 0.00 0.00 57.90 58.30 3ika n TYR 915 Cb 0.40 -4.17 0.04 0.00 -0.31 0.00 0.00 39.34 35.30 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 -3.01 1.66 0.00 7.72 4.64 -1.11 -2.53 116.55 123.91 3ika n ASP 916 Ca -0.28 0.92 0.00 0.00 -1.38 0.00 0.00 54.79 54.06 3ika n ASP 916 Cb 0.67 -1.46 0.00 0.00 -1.04 0.00 0.00 41.12 39.29 3ika n ASP 916 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3ika n GLY 917 N 1.05 0.99 3.73 0.27 0.00 -1.26 -4.95 105.19 105.02 3ika n GLY 917 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 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 0.00 3.49 0.42 -0.61 1.01 -1.05 -5.03 121.20 119.43 3ika s ILE 918 Ca 0.00 1.17 -0.22 0.00 0.00 0.00 0.00 60.65 61.59 3ika s ILE 918 Cb 0.00 -3.75 -0.10 0.00 0.01 0.00 0.00 42.46 38.63 3ika s ILE 918 CO 0.00 0.15 1.00 -2.84 0.00 0.00 0.00 174.94 173.25 3ika s PRO 919 N 0.31 4.13 0.53 2.79 0.02 -1.26 -4.94 135.00 136.58 3ika s PRO 919 Ca 0.57 1.32 0.28 0.00 0.02 0.00 0.00 61.00 63.19 3ika s PRO 919 Cb -0.34 -2.32 1.42 0.00 0.02 0.00 0.00 34.50 33.28 3ika s PRO 919 CO 0.34 -0.14 1.94 0.00 -0.33 0.00 0.00 177.00 178.81 3ika h ALA 920 N 2.12 2.66 -0.58 -1.55 0.00 -1.96 -3.14 119.26 116.81 3ika h ALA 920 Ca -0.49 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 54.50 3ika h ALA 920 Cb 1.20 0.05 -0.11 0.00 0.00 0.00 0.00 17.79 18.93 3ika h ALA 920 CO 0.61 -0.87 -0.37 1.03 0.00 0.00 0.00 179.25 179.65 3ika h SER 921 N 0.02 -1.29 -0.01 0.00 0.87 -2.04 -2.74 113.55 108.36 3ika h SER 921 Ca 0.35 0.23 0.00 0.00 -1.23 0.00 0.00 61.79 61.14 3ika h SER 921 Cb 1.37 0.61 0.00 0.00 -0.44 0.00 0.00 62.40 63.94 3ika h SER 921 CO -0.01 -0.32 -0.01 -1.84 -0.53 0.00 0.00 176.83 174.12 3ika n GLU 922 N -5.42 1.80 -0.37 2.24 0.00 -1.18 -4.41 120.64 113.29 3ika n GLU 922 Ca 0.03 -1.18 0.32 0.00 0.00 0.00 0.00 57.16 56.34 3ika n GLU 922 Cb 0.35 -1.48 0.59 0.00 0.00 0.00 0.00 31.44 30.91 3ika n GLU 922 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.13 177.95 3ika h ILE 923 N 2.87 0.09 -0.40 3.84 1.08 -1.62 0.69 117.51 124.06 3ika h ILE 923 Ca 0.00 -0.03 -0.13 0.00 -0.39 0.00 0.00 64.86 64.31 3ika h ILE 923 Cb 0.62 -0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 34.35 3ika h ILE 923 CO 0.00 0.02 -0.28 0.77 -0.69 0.00 0.00 178.15 177.97 3ika h SER 924 N 0.08 0.89 0.04 1.72 4.64 -1.82 -1.55 113.55 117.55 3ika h SER 924 Ca 0.82 -0.35 0.00 0.00 -0.47 0.00 0.00 61.79 61.79 3ika h SER 924 Cb 2.28 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 64.12 3ika h SER 924 CO -0.62 1.11 -0.07 0.28 -0.87 0.00 0.00 176.83 176.65 3ika h SER 925 N 0.73 -0.21 -0.03 4.97 0.02 0.08 -0.86 113.55 118.25 3ika h SER 925 Ca 0.09 0.02 0.01 0.00 -0.84 0.00 0.00 61.79 61.06 3ika h SER 925 Cb 0.83 0.07 -0.00 0.00 0.14 0.00 0.00 62.40 63.44 3ika h SER 925 CO 0.07 -0.09 0.02 0.16 -1.14 0.00 0.00 176.83 175.86 3ika h ILE 926 N -0.12 0.78 -0.55 3.27 3.07 -1.52 0.11 117.51 122.55 3ika h ILE 926 Ca -0.00 0.00 -0.05 0.00 1.55 0.00 0.00 64.86 66.35 3ika h ILE 926 Cb 0.11 0.98 -0.02 0.00 -0.27 0.00 0.00 36.82 37.62 3ika h ILE 926 CO -0.03 0.00 0.15 0.25 -1.05 0.00 0.00 178.15 177.47 3ika h LEU 927 N 0.00 0.83 -0.48 0.16 5.85 -0.71 -0.18 115.31 120.78 3ika h LEU 927 Ca 0.01 -0.23 -0.12 0.00 0.84 0.00 0.00 57.88 58.38 3ika h LEU 927 Cb 0.06 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 3ika h LEU 927 CO -0.00 0.84 -0.19 -0.33 -0.34 0.00 0.00 178.44 178.42 3ika h GLU 928 N 0.78 0.97 0.00 1.25 5.08 0.61 -2.86 114.58 120.40 3ika h GLU 928 Ca 0.17 -0.41 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 3ika h GLU 928 Cb 0.32 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.54 3ika h GLU 928 CO -0.00 1.08 0.00 1.63 -1.00 0.00 0.00 179.01 180.72 3ika n LYS 929 N -4.15 0.17 0.00 2.33 4.76 -0.69 -4.82 118.16 115.76 3ika n LYS 929 Ca -0.00 0.55 0.00 0.00 -2.87 0.00 0.00 58.31 55.99 3ika n LYS 929 Cb 0.44 -1.94 0.00 0.00 -1.84 0.00 0.00 35.03 31.69 3ika n LYS 929 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3ika n GLY 930 N -0.73 0.82 3.80 0.72 0.00 -0.90 -5.07 105.19 103.83 3ika n GLY 930 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.63 2.36 0.04 1.61 2.12 -0.13 -5.01 118.70 119.07 3ika s GLU 931 Ca 0.00 0.87 -0.27 0.00 0.36 0.00 0.00 54.97 55.93 3ika s GLU 931 Cb 0.00 -1.93 0.09 0.00 0.26 0.00 0.00 34.13 32.55 3ika s GLU 931 CO 0.00 -1.48 0.88 0.50 -0.54 0.00 0.00 175.26 174.61 3ika s ARG 932 N -5.05 0.95 0.32 4.30 6.06 -1.26 -4.56 118.95 119.71 3ika s ARG 932 Ca 0.60 -0.40 -0.29 0.00 -2.50 0.00 0.00 55.73 53.15 3ika s ARG 932 Cb -0.15 0.41 -0.11 0.00 0.06 0.00 0.00 34.95 35.16 3ika s ARG 932 CO 0.55 -0.42 1.44 -0.51 -2.50 0.00 0.00 175.30 173.86 3ika s LEU 933 N -2.60 4.37 1.10 -0.88 1.43 -1.26 -4.97 118.68 115.87 3ika s LEU 933 Ca 0.06 2.84 -0.16 0.00 -1.03 0.00 0.00 54.13 55.85 3ika s LEU 933 Cb -0.01 -3.65 0.24 0.00 0.03 0.00 0.00 46.19 42.80 3ika s LEU 933 CO -0.07 -0.74 1.10 -2.16 0.23 0.00 0.00 176.35 174.72 3ika s PRO 934 N -1.39 -0.40 -0.12 1.29 0.04 -1.26 -4.96 135.00 128.20 3ika s PRO 934 Ca 0.55 0.21 -0.30 0.00 0.04 0.00 0.00 61.00 61.50 3ika s PRO 934 Cb -0.44 -1.67 -0.02 0.00 0.04 0.00 0.00 34.50 32.42 3ika s PRO 934 CO 0.53 -3.22 1.19 -1.14 0.04 0.00 0.00 177.00 174.40 3ika s GLN 935 N -5.19 4.31 0.21 4.56 0.74 -1.26 -4.99 119.66 118.04 3ika s GLN 935 Ca 0.68 1.61 -0.32 0.00 0.05 0.00 0.00 55.36 57.38 3ika s GLN 935 Cb -0.14 -3.64 -0.13 0.00 1.10 0.00 0.00 33.01 30.20 3ika s GLN 935 CO 0.57 -0.54 1.57 -2.30 -0.55 0.00 0.00 175.29 174.04 3ika n PRO 936 N 5.78 2.34 -0.24 1.67 -0.02 -1.26 -4.87 135.00 138.41 3ika n PRO 936 Ca 0.12 0.84 0.23 0.00 -2.02 0.00 0.00 63.50 62.67 3ika n PRO 936 Cb 0.46 -2.60 0.58 0.00 -0.02 0.00 0.00 33.50 31.91 3ika n PRO 936 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3ika h PRO 937 N 5.56 0.27 0.00 0.52 0.11 -1.94 0.27 132.00 136.79 3ika h PRO 937 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3ika h PRO 937 Cb 1.24 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3ika h PRO 937 CO 0.86 0.18 0.00 0.82 -0.21 0.00 0.00 178.00 179.65 3ika h ILE 938 N 0.28 0.00 -3.20 4.15 5.03 -1.85 -3.46 117.51 118.46 3ika h ILE 938 Ca 0.47 -0.34 -0.60 0.00 -0.12 0.00 0.00 64.86 64.28 3ika h ILE 938 Cb 1.39 1.17 -0.08 0.00 -3.03 0.00 0.00 36.82 36.27 3ika h ILE 938 CO -0.14 0.00 -0.27 0.00 -0.68 0.00 0.00 178.15 177.06 3ika s THR 940 N 0.09 4.44 0.33 0.00 -4.23 -1.01 -4.85 115.64 110.40 3ika s THR 940 Ca 0.20 0.80 0.10 0.00 -1.18 0.00 0.00 61.69 61.60 3ika s THR 940 Cb -0.14 -3.68 0.32 0.00 1.34 0.00 0.00 72.50 70.34 3ika s THR 940 CO 0.07 -1.03 1.79 0.40 -0.54 0.00 0.00 174.62 175.31 3ika h ILE 941 N -0.47 0.67 -0.92 2.99 2.04 -1.97 -1.17 117.51 118.68 3ika h ILE 941 Ca -0.44 -0.22 0.08 0.00 1.00 0.00 0.00 64.86 65.27 3ika h ILE 941 Cb 1.20 -0.04 -0.06 0.00 -0.74 0.00 0.00 36.82 37.18 3ika h ILE 941 CO 0.60 0.12 0.60 0.44 0.00 0.00 0.00 178.15 179.90 3ika h ASP 942 N 0.65 0.90 0.16 1.72 5.19 -1.91 0.66 116.42 123.79 3ika h ASP 942 Ca 0.57 0.01 -0.30 0.00 -0.62 0.00 0.00 57.03 56.69 3ika h ASP 942 Cb 1.03 -0.18 0.01 0.00 0.18 0.00 0.00 39.33 40.37 3ika h ASP 942 CO -0.34 0.56 -1.50 0.58 -3.12 0.00 0.00 179.24 175.42 3ika h VAL 943 N 1.01 1.06 -0.17 -1.35 2.07 -1.54 -3.28 116.25 114.04 3ika h VAL 943 Ca 0.41 -2.48 -0.05 0.00 0.82 0.00 0.00 66.70 65.40 3ika h VAL 943 Cb 0.26 2.81 -0.01 0.00 -1.52 0.00 0.00 31.29 32.83 3ika h VAL 943 CO -0.16 0.78 -0.12 0.22 0.02 0.00 0.00 177.57 178.30 3ika h TYR 944 N -0.11 0.28 0.00 1.57 3.20 -0.97 -1.72 116.97 119.22 3ika h TYR 944 Ca -0.30 -0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.51 3ika h TYR 944 Cb 1.92 -0.08 -0.00 0.00 1.54 0.00 0.00 36.73 40.10 3ika h TYR 944 CO 0.12 0.40 -0.13 1.98 -1.64 0.00 0.00 178.16 178.89 3ika h MET 945 N 0.26 0.00 0.02 1.82 4.05 0.26 -1.25 114.93 120.08 3ika h MET 945 Ca 0.05 0.00 -0.26 0.00 -0.28 0.00 0.00 59.70 59.21 3ika h MET 945 Cb 0.38 0.00 0.02 0.00 -0.80 0.00 0.00 31.60 31.20 3ika h MET 945 CO 0.02 0.13 -1.06 0.82 0.23 0.00 0.00 176.91 177.06 3ika h ILE 946 N 0.00 1.32 -0.53 1.77 2.04 -1.38 -2.59 117.51 118.14 3ika h ILE 946 Ca -0.00 -2.35 -0.01 0.00 1.00 0.00 0.00 64.86 63.49 3ika h ILE 946 Cb 0.28 2.45 -0.03 0.00 -0.74 0.00 0.00 36.82 38.78 3ika h ILE 946 CO 0.02 0.72 0.28 0.24 0.00 0.00 0.00 178.15 179.41 3ika h MET 947 N 0.33 0.72 -0.27 2.37 2.86 -1.07 -2.36 114.93 117.51 3ika h MET 947 Ca -0.13 -0.07 -0.09 0.00 -2.06 0.00 0.00 59.70 57.35 3ika h MET 947 Cb 1.71 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 33.21 3ika h MET 947 CO 0.20 0.54 -0.19 0.28 1.06 0.00 0.00 176.91 178.80 3ika h VAL 948 N 0.73 1.30 0.00 -2.22 2.07 -1.23 -2.66 116.25 114.25 3ika h VAL 948 Ca 0.19 -1.32 -0.02 0.00 0.82 0.00 0.00 66.70 66.36 3ika h VAL 948 Cb 0.03 1.56 -0.00 0.00 -1.52 0.00 0.00 31.29 31.36 3ika h VAL 948 CO -0.03 0.42 -0.11 0.11 0.02 0.00 0.00 177.57 177.98 3ika h LYS 949 N 0.35 0.00 -0.17 1.57 1.57 -1.07 0.01 116.57 118.83 3ika h LYS 949 Ca 0.05 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.78 3ika h LYS 949 Cb 0.73 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.03 3ika h LYS 949 CO 0.05 0.11 -0.14 0.00 -0.57 0.00 0.00 179.45 178.90 3ika n TRP 951 N -4.25 1.62 -1.91 0.00 8.01 -0.02 -4.11 117.44 116.78 3ika n TRP 951 Ca -0.00 -0.65 -0.40 0.00 -1.31 0.00 0.00 57.50 55.14 3ika n TRP 951 Cb 0.29 -0.45 0.01 0.00 -2.01 0.00 0.00 31.31 29.14 3ika n TRP 951 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.69 178.09 3ika s MET 952 N -2.31 3.86 0.09 -0.99 1.75 -0.89 -4.91 119.30 115.90 3ika s MET 952 Ca 0.40 2.33 -0.15 0.00 -1.25 0.00 0.00 55.69 57.02 3ika s MET 952 Cb 0.31 -2.74 -0.11 0.00 2.84 0.00 0.00 34.83 35.13 3ika s MET 952 CO 0.11 -0.64 1.37 0.82 -0.65 0.00 0.00 175.02 176.03 3ika h ILE 953 N 2.46 1.31 -2.88 10.11 2.04 -1.90 -3.42 117.51 125.22 3ika h ILE 953 Ca -0.50 -1.57 -0.55 0.00 1.00 0.00 0.00 64.86 63.24 3ika h ILE 953 Cb 1.25 1.73 -0.01 0.00 -0.74 0.00 0.00 36.82 39.06 3ika h ILE 953 CO 0.62 0.49 0.87 -0.62 0.00 0.00 0.00 178.15 179.51 3ika s ASP 954 N -6.62 6.86 0.31 1.72 2.15 -1.26 -4.89 116.67 114.94 3ika s ASP 954 Ca -0.12 2.04 -0.00 0.00 0.43 0.00 0.00 52.55 54.89 3ika s ASP 954 Cb 0.08 -2.55 0.52 0.00 -0.30 0.00 0.00 42.92 40.66 3ika s ASP 954 CO 0.84 -0.74 1.96 0.00 -0.17 0.00 0.00 175.17 177.05 3ika h ALA 955 N 8.10 1.48 -0.05 3.66 0.00 -1.96 -1.54 119.26 128.95 3ika h ALA 955 Ca -0.36 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3ika h ALA 955 Cb 1.16 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.66 3ika h ALA 955 CO 0.92 0.45 0.00 -0.25 0.00 0.00 0.00 179.25 180.37 3ika n ASP 956 N -4.44 0.89 -0.59 0.00 10.43 -1.26 -2.79 116.55 118.79 3ika n ASP 956 Ca 0.10 -1.43 0.13 0.00 2.57 0.00 0.00 54.79 56.16 3ika n ASP 956 Cb 0.09 -0.03 0.25 0.00 1.84 0.00 0.00 41.12 43.27 3ika n ASP 956 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 3ika n SER 957 N -0.25 2.00 -4.86 -2.24 7.64 -0.58 -4.93 113.62 110.40 3ika n SER 957 Ca 0.18 -1.55 -0.31 0.00 1.01 0.00 0.00 58.87 58.20 3ika n SER 957 Cb 0.23 0.13 -0.04 0.00 -1.01 0.00 0.00 64.21 63.52 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 -2.20 3.90 1.19 1.43 0.52 -1.12 -4.90 118.95 117.77 3ika s ARG 958 Ca 0.28 0.70 -0.14 0.00 -0.52 0.00 0.00 55.73 56.05 3ika s ARG 958 Cb 0.20 -2.30 0.29 0.00 0.52 0.00 0.00 34.95 33.66 3ika s ARG 958 CO 0.41 -0.09 1.02 -2.14 0.02 0.00 0.00 175.30 174.52 3ika s PRO 959 N -3.75 -1.15 0.15 3.54 0.02 -1.26 -5.02 135.00 127.53 3ika s PRO 959 Ca 0.55 0.70 0.10 0.00 0.02 0.00 0.00 61.00 62.37 3ika s PRO 959 Cb -0.10 -1.54 -0.04 0.00 0.02 0.00 0.00 34.50 32.84 3ika s PRO 959 CO 0.28 -3.84 -0.24 0.15 -0.33 0.00 0.00 177.00 173.03 3ika s LYS 960 N -4.56 1.36 0.20 5.54 1.02 -1.26 -4.93 119.74 117.12 3ika s LYS 960 Ca 0.68 -1.38 -0.11 0.00 0.02 0.00 0.00 55.97 55.19 3ika s LYS 960 Cb -0.23 -1.70 0.16 0.00 -0.52 0.00 0.00 37.83 35.54 3ika s LYS 960 CO 0.64 0.38 1.84 0.74 -0.92 0.00 0.00 175.35 178.03 3ika h PHE 961 N 3.61 0.77 -0.51 3.18 0.04 -1.95 0.23 116.94 122.32 3ika h PHE 961 Ca -0.47 0.02 0.02 0.00 2.80 0.00 0.00 57.97 60.34 3ika h PHE 961 Cb 1.19 -0.25 -0.03 0.00 2.20 0.00 0.00 35.95 39.06 3ika h PHE 961 CO 0.64 0.45 0.34 0.07 -0.60 0.00 0.00 178.31 179.21 3ika h ARG 962 N 0.81 0.59 0.10 1.51 0.11 -1.96 0.30 114.38 115.84 3ika h ARG 962 Ca 0.26 -0.04 -0.00 0.00 0.10 0.00 0.00 59.98 60.30 3ika h ARG 962 Cb 0.00 -0.13 0.00 0.00 1.11 0.00 0.00 29.97 30.95 3ika h ARG 962 CO -0.10 0.39 -0.05 0.93 0.10 0.00 0.00 179.97 181.24 3ika h GLU 963 N 0.60 -0.13 -0.83 0.08 5.08 -1.22 -2.63 114.58 115.54 3ika h GLU 963 Ca 0.20 0.01 0.20 0.00 -1.00 0.00 0.00 59.36 58.77 3ika h GLU 963 Cb 0.06 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.28 3ika h GLU 963 CO -0.05 0.32 0.56 -0.07 -1.00 0.00 0.00 179.01 178.77 3ika h LEU 964 N -0.63 0.28 0.14 1.33 3.38 0.41 0.20 115.31 120.42 3ika h LEU 964 Ca -0.01 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 3ika h LEU 964 Cb 0.50 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.23 3ika h LEU 964 CO 0.02 0.12 -0.07 0.40 0.09 0.00 0.00 178.44 179.00 3ika h ILE 965 N 0.29 1.00 -0.58 1.22 2.04 -0.33 -2.32 117.51 118.82 3ika h ILE 965 Ca 0.42 -0.65 -0.09 0.00 1.00 0.00 0.00 64.86 65.54 3ika h ILE 965 Cb 1.19 1.40 -0.02 0.00 -0.74 0.00 0.00 36.82 38.64 3ika h ILE 965 CO -0.11 0.15 0.01 0.16 0.00 0.00 0.00 178.15 178.36 3ika h ILE 966 N -0.50 1.26 -0.01 -0.67 3.07 -0.34 0.14 117.51 120.46 3ika h ILE 966 Ca -0.02 -1.11 -0.00 0.00 1.55 0.00 0.00 64.86 65.28 3ika h ILE 966 Cb 0.39 0.80 -0.00 0.00 -0.27 0.00 0.00 36.82 37.74 3ika h ILE 966 CO 0.03 0.40 -0.00 -0.33 -1.05 0.00 0.00 178.15 177.20 3ika h GLU 967 N 0.92 0.02 0.00 0.16 4.39 -1.02 0.18 114.58 119.24 3ika h GLU 967 Ca 0.17 -0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.83 3ika h GLU 967 Cb 0.52 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.16 3ika h GLU 967 CO 0.03 0.35 -0.15 0.74 -1.16 0.00 0.00 179.01 178.82 3ika h PHE 968 N -0.30 0.00 -0.22 4.33 -1.00 -1.39 -1.21 116.94 117.15 3ika h PHE 968 Ca 0.00 0.00 -0.13 0.00 2.81 0.00 0.00 57.97 60.66 3ika h PHE 968 Cb 0.34 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.89 3ika h PHE 968 CO 0.04 0.15 -0.40 0.77 -1.61 0.00 0.00 178.31 177.26 3ika h SER 969 N 0.00 0.55 -0.20 2.17 0.02 -0.37 -0.28 113.55 115.44 3ika h SER 969 Ca -0.00 -0.24 -0.10 0.00 -0.84 0.00 0.00 61.79 60.61 3ika h SER 969 Cb 0.51 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 62.89 3ika h SER 969 CO 0.02 0.89 -0.25 0.50 -1.14 0.00 0.00 176.83 176.85 3ika h LYS 970 N 0.43 0.53 0.00 3.45 3.64 0.34 -2.90 116.57 122.06 3ika h LYS 970 Ca 0.04 -0.30 0.00 0.00 -1.27 0.00 0.00 60.65 59.12 3ika h LYS 970 Cb 0.88 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.72 3ika h LYS 970 CO 0.08 0.89 0.00 0.52 -2.27 0.00 0.00 179.45 178.66 3ika h MET 971 N 0.20 0.00 -0.70 1.90 2.86 -1.17 -2.93 114.93 115.08 3ika h MET 971 Ca 0.03 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.64 3ika h MET 971 Cb 0.82 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.44 3ika h MET 971 CO 0.06 0.00 0.35 0.00 1.06 0.00 0.00 176.91 178.38 3ika h ALA 972 N 2.04 0.90 -0.37 6.32 0.00 -0.82 -2.85 119.26 124.48 3ika h ALA 972 Ca 0.00 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 3ika h ALA 972 Cb 0.30 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3ika h ALA 972 CO 0.00 0.45 -0.02 0.00 0.00 0.00 0.00 179.25 179.68 3ika h ARG 973 N 0.97 0.60 -2.21 0.00 3.08 -1.58 -3.28 114.38 111.96 3ika h ARG 973 Ca 0.24 -0.15 -0.59 0.00 0.07 0.00 0.00 59.98 59.56 3ika h ARG 973 Cb 0.09 -0.08 -0.41 0.00 0.08 0.00 0.00 29.97 29.66 3ika h ARG 973 CO -0.03 0.64 -0.75 -3.47 -1.07 0.00 0.00 179.97 175.29 3ika n ASP 974 N -4.24 2.56 -0.26 7.04 -0.08 -1.14 -4.95 116.55 115.48 3ika n ASP 974 Ca 0.02 -3.18 -0.04 0.00 -1.51 0.00 0.00 54.79 50.08 3ika n ASP 974 Cb 0.28 -0.66 0.13 0.00 2.34 0.00 0.00 41.12 43.20 3ika n ASP 974 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3ika h PRO 975 N 4.26 1.10 -0.24 -0.67 0.13 -1.57 -2.77 132.00 132.23 3ika h PRO 975 Ca 0.16 -0.17 -0.03 0.00 -0.87 0.00 0.00 66.00 65.10 3ika h PRO 975 Cb 0.74 -0.20 -0.01 0.00 0.13 0.00 0.00 31.00 31.66 3ika h PRO 975 CO 0.71 0.86 0.02 1.96 -0.23 0.00 0.00 178.00 181.33 3ika h GLN 976 N 1.09 0.35 0.00 0.86 4.20 -1.87 -1.07 115.11 118.67 3ika h GLN 976 Ca 0.26 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.89 3ika h GLN 976 Cb 0.14 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 27.86 3ika h GLN 976 CO -0.03 0.36 -0.10 -0.09 -0.67 0.00 0.00 178.83 178.30 3ika h ARG 977 N 0.35 0.00 0.00 1.46 2.43 -1.86 -3.30 114.38 113.46 3ika h ARG 977 Ca 0.08 0.00 -0.20 0.00 -0.81 0.00 0.00 59.98 59.06 3ika h ARG 977 Cb 0.20 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.71 3ika h ARG 977 CO 0.00 0.10 -1.81 0.66 -1.51 0.00 0.00 179.97 177.42 3ika n TYR 978 N -4.18 0.00 -5.08 2.20 4.01 -0.52 -4.93 117.16 108.66 3ika n TYR 978 Ca -0.03 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.41 3ika n TYR 978 Cb 0.18 -0.57 -0.17 0.00 -0.31 0.00 0.00 39.34 38.48 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 -4.78 1.99 -0.33 7.72 1.43 -0.56 -2.42 118.68 121.73 3ika s LEU 979 Ca -0.06 -0.50 -0.08 0.00 -1.03 0.00 0.00 54.13 52.46 3ika s LEU 979 Cb 0.04 -1.28 0.02 0.00 0.03 0.00 0.00 46.19 45.00 3ika s LEU 979 CO 0.50 0.13 0.13 -0.69 0.23 0.00 0.00 176.35 176.66 3ika s VAL 980 N 0.40 4.17 -0.05 -1.59 1.01 -0.22 -4.34 120.40 119.78 3ika s VAL 980 Ca -0.18 -0.81 0.05 0.00 0.00 0.00 0.00 61.98 61.04 3ika s VAL 980 Cb -0.17 -3.25 -0.01 0.00 0.00 0.00 0.00 36.38 32.95 3ika s VAL 980 CO 0.08 -0.07 -0.21 -0.63 0.00 0.00 0.00 175.10 174.27 3ika s ILE 981 N 1.51 1.73 -0.25 2.22 1.01 -1.26 -4.53 121.20 121.63 3ika s ILE 981 Ca 0.02 -0.88 -0.29 0.00 0.00 0.00 0.00 60.65 59.50 3ika s ILE 981 Cb -0.18 -1.48 -0.02 0.00 0.01 0.00 0.00 42.46 40.79 3ika s ILE 981 CO 0.04 0.49 1.57 0.00 0.00 0.00 0.00 174.94 177.04 3ika s GLN 982 N 0.00 3.77 0.00 2.79 -2.07 -1.26 -2.38 119.66 120.51 3ika s GLN 982 Ca -0.05 1.54 0.00 0.00 -1.82 0.00 0.00 55.36 55.02 3ika s GLN 982 Cb -0.13 -4.02 0.00 0.00 -1.09 0.00 0.00 33.01 27.77 3ika s GLN 982 CO 0.03 -1.32 0.00 0.41 -1.32 0.00 0.00 175.29 173.09 3ika n GLY 983 N 4.68 1.01 0.28 2.60 0.00 -1.26 -4.95 105.19 107.56 3ika n GLY 983 Ca 0.18 -0.53 0.05 0.00 0.00 0.00 0.00 46.02 45.72 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 0.00 0.30 -0.66 1.61 3.58 -1.87 0.13 116.42 119.52 3ika h ASP 984 Ca 0.00 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.43 3ika h ASP 984 Cb 0.50 -0.08 -0.03 0.00 1.72 0.00 0.00 39.33 41.44 3ika h ASP 984 CO 0.00 0.26 0.42 -0.33 -2.88 0.00 0.00 179.24 176.71 3ika h GLU 985 N 0.35 0.88 -0.46 0.28 4.39 -1.92 -1.66 114.58 116.44 3ika h GLU 985 Ca 0.09 -0.06 0.09 0.00 0.34 0.00 0.00 59.36 59.82 3ika h GLU 985 Cb 0.03 -0.19 -0.09 0.00 -0.10 0.00 0.00 28.75 28.39 3ika h GLU 985 CO -0.01 0.60 -0.18 -0.09 -1.16 0.00 0.00 179.01 178.17 3ika h ARG 986 N 0.91 -0.08 -7.33 2.33 2.43 -1.13 -3.44 114.38 108.07 3ika h ARG 986 Ca 0.24 0.01 -0.50 0.00 -0.81 0.00 0.00 59.98 58.91 3ika h ARG 986 Cb -0.07 0.02 0.06 0.00 -0.42 0.00 0.00 29.97 29.55 3ika h ARG 986 CO -0.05 -0.05 0.41 -1.64 -1.51 0.00 0.00 179.97 177.13 3ika s MET 987 N -6.16 3.57 0.00 0.20 -1.94 -0.62 -5.19 119.30 109.16 3ika s MET 987 Ca -0.14 0.81 0.00 0.00 -1.71 0.00 0.00 55.69 54.65 3ika s MET 987 Cb 0.16 -2.08 0.00 0.00 2.01 0.00 0.00 34.83 34.92 3ika s MET 987 CO 0.71 -0.59 0.00 0.72 -0.01 0.00 0.00 175.02 175.85 3ika n HIS 988 N -2.60 0.00 0.00 -0.03 8.25 -1.26 -5.02 115.22 114.56 3ika n HIS 988 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 3ika n HIS 988 Cb 0.54 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.65 3ika n HIS 988 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 3ika n GLU 1004N 0.00 0.00 -0.09 -0.41 -0.58 -1.26 -4.97 120.64 113.34 3ika n GLU 1004Ca 0.00 0.00 -0.10 0.00 -0.42 0.00 0.00 57.16 56.64 3ika n GLU 1004Cb 0.00 0.00 -0.02 0.00 -0.57 0.00 0.00 31.44 30.85 3ika n GLU 1004CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 3ika h GLU 1005N 0.00 0.41 -3.58 3.49 4.22 -2.00 -3.43 114.58 113.68 3ika h GLU 1005Ca 0.00 -0.05 -0.15 0.00 0.08 0.00 0.00 59.36 59.24 3ika h GLU 1005Cb 0.00 -0.08 -0.21 0.00 0.50 0.00 0.00 28.75 28.96 3ika h GLU 1005CO 0.00 0.36 -0.54 -0.51 -2.18 0.00 0.00 179.01 176.14 3ika s ASP 1006N -5.59 0.05 0.24 1.04 1.01 -1.26 -5.05 116.67 107.11 3ika s ASP 1006Ca -0.13 -0.21 -0.06 0.00 0.71 0.00 0.00 52.55 52.86 3ika s ASP 1006Cb 0.09 0.19 0.24 0.00 1.01 0.00 0.00 42.92 44.45 3ika s ASP 1006CO 0.72 -0.32 1.87 0.24 0.21 0.00 0.00 175.17 177.89 3ika h MET 1007N 4.53 1.25 -4.10 8.23 2.86 -2.04 -3.40 114.93 122.26 3ika h MET 1007Ca -0.30 -0.13 -0.42 0.00 -2.06 0.00 0.00 59.70 56.78 3ika h MET 1007Cb 1.20 -0.25 -0.34 0.00 0.06 0.00 0.00 31.60 32.27 3ika h MET 1007CO 0.41 0.90 -0.78 0.34 1.06 0.00 0.00 176.91 178.84 3ika s ASP 1008N -6.23 1.06 -0.39 1.22 -1.08 -1.26 -4.85 116.67 105.13 3ika s ASP 1008Ca -0.13 -0.15 0.10 0.00 -0.52 0.00 0.00 52.55 51.85 3ika s ASP 1008Cb 0.17 -0.50 0.34 0.00 -1.46 0.00 0.00 42.92 41.47 3ika s ASP 1008CO 0.83 -0.04 0.83 0.47 0.52 0.00 0.00 175.17 177.78 3ika n ASP 1009N 4.00 -0.02 -3.03 -0.34 10.43 -1.26 -4.91 116.55 121.41 3ika n ASP 1009Ca -0.25 -3.19 -0.22 0.00 2.57 0.00 0.00 54.79 53.69 3ika n ASP 1009Cb 0.51 0.06 0.03 0.00 1.84 0.00 0.00 41.12 43.56 3ika n ASP 1009CO 0.00 0.00 0.00 0.55 -1.07 0.00 0.00 177.20 176.68 3ika n VAL 1010N 0.31 -1.92 -3.33 2.53 3.14 -1.26 -4.89 118.33 112.90 3ika n VAL 1010Ca 0.20 0.00 -0.26 0.00 -2.96 0.00 0.00 64.34 61.32 3ika n VAL 1010Cb 0.67 -3.36 -0.08 0.00 -1.06 0.00 0.00 33.84 30.01 3ika n VAL 1010CO 0.00 0.00 0.00 1.33 -6.46 0.00 0.00 176.83 171.70 3ika n VAL 1011N -4.47 0.55 -3.39 1.55 0.24 -1.26 -4.42 118.33 107.13 3ika n VAL 1011Ca -0.11 -4.47 -0.41 0.00 -2.04 0.00 0.00 64.34 57.31 3ika n VAL 1011Cb 0.62 -2.00 -0.09 0.00 -1.47 0.00 0.00 33.84 30.89 3ika n VAL 1011CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 3ika s ASP 1012N -1.59 6.17 0.14 -1.34 1.11 -1.26 -4.83 116.67 115.07 3ika s ASP 1012Ca 0.36 -0.36 -0.25 0.00 0.18 0.00 0.00 52.55 52.48 3ika s ASP 1012Cb 0.14 -2.20 0.07 0.00 1.07 0.00 0.00 42.92 42.00 3ika s ASP 1012CO -0.08 -0.39 1.00 0.00 1.18 0.00 0.00 175.17 176.88 3ika s ALA 1013N 2.02 -1.70 0.00 5.23 0.00 -1.26 -4.81 121.76 121.23 3ika s ALA 1013Ca 0.11 0.12 0.00 0.00 0.00 0.00 0.00 51.96 52.20 3ika s ALA 1013Cb -0.17 0.62 0.00 0.00 0.00 0.00 0.00 23.12 23.58 3ika s ALA 1013CO 0.12 -1.05 0.00 -0.25 0.00 0.00 0.00 175.76 174.58 3ika n ASP 1014N -0.56 0.00 -0.40 0.00 9.92 -1.26 -4.66 116.55 119.59 3ika n ASP 1014Ca -0.06 0.00 0.32 0.00 -0.53 0.00 0.00 54.79 54.52 3ika n ASP 1014Cb 0.61 0.00 0.61 0.00 -0.64 0.00 0.00 41.12 41.70 3ika n ASP 1014CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 3ika h GLU 1015N 0.00 0.19 -0.57 -1.24 5.08 -1.98 0.72 114.58 116.77 3ika h GLU 1015Ca 0.00 -0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.26 3ika h GLU 1015Cb 0.00 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 3ika h GLU 1015CO 0.00 0.12 0.01 1.88 -1.00 0.00 0.00 179.01 180.02 3ika h TYR 1016N 0.19 1.07 -0.91 4.33 0.99 -1.89 -3.23 116.97 117.53 3ika h TYR 1016Ca 0.72 -0.17 0.03 0.00 2.00 0.00 0.00 58.73 61.31 3ika h TYR 1016Cb 2.18 -0.28 -0.05 0.00 1.00 0.00 0.00 36.73 39.57 3ika h TYR 1016CO -0.00 0.95 0.60 1.25 -0.00 0.00 0.00 178.16 180.95 3ika h LEU 1017N 0.91 0.98 -0.99 3.88 5.85 0.14 -2.86 115.31 123.23 3ika h LEU 1017Ca 0.17 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.82 3ika h LEU 1017Cb 0.52 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 3ika h LEU 1017CO 0.03 0.68 0.13 0.40 -0.34 0.00 0.00 178.44 179.34 3ika h ILE 1018N 1.14 1.23 -3.53 4.05 5.03 -1.57 -3.46 117.51 120.41 3ika h ILE 1018Ca 0.36 -0.84 -0.31 0.00 -0.12 0.00 0.00 64.86 63.95 3ika h ILE 1018Cb -0.00 0.66 -0.15 0.00 -3.03 0.00 0.00 36.82 34.30 3ika h ILE 1018CO -0.10 0.31 -0.69 -2.84 -0.68 0.00 0.00 178.15 174.15 3ika s PRO 1019N -5.22 1.07 0.00 2.37 0.02 -1.08 -5.18 135.00 126.98 3ika s PRO 1019Ca -0.10 -1.48 0.00 0.00 0.02 0.00 0.00 61.00 59.44 3ika s PRO 1019Cb 0.15 -0.48 0.00 0.00 0.02 0.00 0.00 34.50 34.20 3ika s PRO 1019CO 0.81 -0.01 0.16 1.04 -0.33 0.00 0.00 177.00 178.67