#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2itz s ALA 698 N 0.00 3.57 0.27 0.62 0.00 -1.26 -5.03 121.76 119.93 2itz s ALA 698 Ca 0.00 -0.27 -0.30 0.00 0.00 0.00 0.00 51.96 51.38 2itz s ALA 698 Cb 0.00 -2.43 -0.13 0.00 0.00 0.00 0.00 23.12 20.56 2itz s ALA 698 CO 0.00 0.51 1.39 -0.35 0.00 0.00 0.00 175.76 177.31 2itz n PRO 699 N -0.07 2.09 -3.14 0.00 -0.04 -1.26 -4.92 135.00 127.67 2itz n PRO 699 Ca 0.00 0.74 -0.45 0.00 -0.04 0.00 0.00 63.50 63.75 2itz n PRO 699 Cb 0.52 -2.39 -0.02 0.00 -0.04 0.00 0.00 33.50 31.58 2itz n PRO 699 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 2itz s ASN 700 N 0.16 6.78 -0.05 3.54 3.04 -1.26 -4.87 114.94 122.27 2itz s ASN 700 Ca 0.65 -2.53 0.02 0.00 0.04 0.00 0.00 52.86 51.03 2itz s ASN 700 Cb -0.62 -2.30 0.14 0.00 -1.54 0.00 0.00 41.25 36.93 2itz s ASN 700 CO 0.53 -0.76 0.87 0.00 -3.04 0.00 0.00 177.10 174.70 2itz n GLN 701 N 5.01 1.53 -1.69 0.43 6.02 -1.26 -4.91 117.38 122.51 2itz n GLN 701 Ca 0.20 -0.54 -0.43 0.00 -0.01 0.00 0.00 57.00 56.22 2itz n GLN 701 Cb 0.47 -1.49 -0.01 0.00 1.02 0.00 0.00 30.24 30.23 2itz n GLN 701 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2itz n ALA 702 N 0.15 1.24 -2.52 -1.58 0.00 -1.26 -4.92 120.51 111.62 2itz n ALA 702 Ca 0.07 0.38 -0.43 0.00 0.00 0.00 0.00 53.44 53.45 2itz n ALA 702 Cb 0.52 -2.26 -0.07 0.00 0.00 0.00 0.00 19.45 17.64 2itz n ALA 702 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2itz s LEU 703 N -0.66 4.53 -0.17 0.00 1.43 -1.26 -5.04 118.68 117.51 2itz s LEU 703 Ca 0.59 -0.35 -0.29 0.00 -1.03 0.00 0.00 54.13 53.04 2itz s LEU 703 Cb -0.59 -2.69 -0.00 0.00 0.03 0.00 0.00 46.19 42.94 2itz s LEU 703 CO 0.58 -0.74 1.05 -0.22 0.23 0.00 0.00 176.35 177.25 2itz s LEU 704 N 2.73 4.17 -0.18 1.79 2.96 -1.26 -5.02 118.68 123.87 2itz s LEU 704 Ca 0.21 1.49 -0.05 0.00 -0.22 0.00 0.00 54.13 55.56 2itz s LEU 704 Cb -0.14 -3.55 -0.03 0.00 0.50 0.00 0.00 46.19 42.97 2itz s LEU 704 CO 0.18 -0.58 -0.01 -0.60 -1.32 0.00 0.00 176.35 174.02 2itz s ARG 705 N 2.68 3.68 -0.13 1.98 3.52 -1.26 -5.03 118.95 124.39 2itz s ARG 705 Ca 0.47 -0.50 -0.07 0.00 -0.13 0.00 0.00 55.73 55.50 2itz s ARG 705 Cb -0.17 -3.02 -0.04 0.00 -1.56 0.00 0.00 34.95 30.15 2itz s ARG 705 CO 0.12 0.14 0.11 0.42 -0.81 0.00 0.00 175.30 175.29 2itz s ILE 706 N 0.65 5.26 -0.06 4.11 1.01 -1.26 -0.47 121.20 130.44 2itz s ILE 706 Ca -0.01 0.12 0.02 0.00 0.00 0.00 0.00 60.65 60.79 2itz s ILE 706 Cb -0.14 -3.31 0.01 0.00 0.01 0.00 0.00 42.46 39.03 2itz s ILE 706 CO 0.02 0.57 -0.12 -0.76 0.00 0.00 0.00 174.94 174.65 2itz s LEU 707 N -0.65 1.64 0.15 2.97 1.43 0.12 -4.90 118.68 119.44 2itz s LEU 707 Ca 0.12 -0.29 -0.33 0.00 -1.03 0.00 0.00 54.13 52.60 2itz s LEU 707 Cb -0.12 -0.82 -0.13 0.00 0.03 0.00 0.00 46.19 45.16 2itz s LEU 707 CO 0.02 0.03 1.67 0.29 0.23 0.00 0.00 176.35 178.59 2itz n LYS 708 N 3.82 2.40 -0.11 1.70 5.02 -1.26 -4.34 118.16 125.40 2itz n LYS 708 Ca -0.23 0.87 0.25 0.00 -2.02 0.00 0.00 58.31 57.18 2itz n LYS 708 Cb 0.52 -2.68 0.71 0.00 -0.02 0.00 0.00 35.03 33.56 2itz n LYS 708 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 2itz h GLU 709 N 6.66 0.00 0.00 1.97 4.81 -1.97 0.50 114.58 126.55 2itz h GLU 709 Ca -0.45 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 2itz h GLU 709 Cb 1.24 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.62 2itz h GLU 709 CO 0.92 0.00 0.00 0.25 -0.73 0.00 0.00 179.01 179.45 2itz n THR 710 N -4.31 1.06 1.33 0.32 -2.24 -1.26 -2.67 114.28 106.52 2itz n THR 710 Ca 0.15 0.27 0.14 0.00 -2.27 0.00 0.00 64.05 62.35 2itz n THR 710 Cb 0.82 -1.07 0.72 0.00 -2.10 0.00 0.00 70.33 68.70 2itz n THR 710 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2itz n GLU 711 N -1.60 0.37 -3.81 -0.78 1.02 0.17 -4.84 120.64 111.17 2itz n GLU 711 Ca 0.03 0.01 -0.29 0.00 -0.02 0.00 0.00 57.16 56.89 2itz n GLU 711 Cb 0.16 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.05 2itz n GLU 711 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 2itz s PHE 712 N -2.62 3.49 0.00 -0.32 2.99 -1.09 0.36 117.98 120.79 2itz s PHE 712 Ca 0.26 0.30 0.00 0.00 0.00 0.00 0.00 56.93 57.49 2itz s PHE 712 Cb 0.19 -1.81 0.00 0.00 0.00 0.00 0.00 43.02 41.41 2itz s PHE 712 CO 0.45 0.48 0.00 1.63 -0.00 0.00 0.00 175.22 177.78 2itz n LYS 713 N -0.25 2.10 -0.91 0.44 4.01 0.12 -4.94 118.16 118.72 2itz n LYS 713 Ca -0.05 0.00 -0.35 0.00 -0.51 0.00 0.00 58.31 57.40 2itz n LYS 713 Cb 0.53 0.00 -0.04 0.00 -0.51 0.00 0.00 35.03 35.00 2itz n LYS 713 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 2itz n LYS 714 N 0.00 0.00 -3.33 1.97 4.01 -1.26 -4.51 118.16 115.04 2itz n LYS 714 Ca 0.00 0.00 -0.22 0.00 -0.51 0.00 0.00 58.31 57.58 2itz n LYS 714 Cb 0.00 -0.87 -0.09 0.00 -0.51 0.00 0.00 35.03 33.57 2itz n LYS 714 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 2itz s ILE 715 N -0.11 -0.04 0.49 -0.18 1.01 -1.26 -2.39 121.20 118.71 2itz s ILE 715 Ca 0.53 -1.81 -0.06 0.00 0.00 0.00 0.00 60.65 59.30 2itz s ILE 715 Cb -0.74 -0.92 -0.04 0.00 0.01 0.00 0.00 42.46 40.76 2itz s ILE 715 CO 0.35 -0.87 0.81 -0.75 0.00 0.00 0.00 174.94 174.48 2itz s LYS 716 N 0.74 3.58 0.22 2.79 2.20 -1.00 -4.93 119.74 123.35 2itz s LYS 716 Ca 0.25 0.29 -0.13 0.00 -0.36 0.00 0.00 55.97 56.02 2itz s LYS 716 Cb -0.08 -2.35 -0.08 0.00 -1.51 0.00 0.00 37.83 33.82 2itz s LYS 716 CO -0.09 -0.22 0.60 0.08 -0.36 0.00 0.00 175.35 175.36 2itz s VAL 717 N -2.74 4.84 0.00 4.02 1.01 -1.26 -0.92 120.40 125.35 2itz s VAL 717 Ca 0.49 0.71 0.00 0.00 0.00 0.00 0.00 61.98 63.18 2itz s VAL 717 Cb -0.10 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.61 2itz s VAL 717 CO 0.44 0.01 0.00 0.18 0.00 0.00 0.00 175.10 175.73 2itz n LEU 718 N 0.13 0.36 -3.73 3.92 4.77 0.16 -4.75 117.00 117.86 2itz n LEU 718 Ca -0.01 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.84 2itz n LEU 718 Cb 0.52 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.52 2itz n LEU 718 CO 0.44 0.06 0.10 -0.83 -1.33 0.00 0.00 177.39 175.82 2itz s GLY 719 N -2.68 -0.31 0.36 -0.72 0.00 -0.75 -4.95 107.32 98.27 2itz s GLY 719 Ca 0.00 1.10 0.07 0.00 0.00 0.00 0.00 44.72 45.89 2itz s GLY 719 CO 0.00 0.92 0.26 -0.45 0.00 0.00 0.00 173.10 173.84 2itz s SER 720 N 0.01 2.00 0.00 1.64 0.15 -1.26 -0.61 113.70 115.63 2itz s SER 720 Ca -0.02 -1.78 0.00 0.00 0.70 0.00 0.00 55.95 54.85 2itz s SER 720 Cb -0.03 0.58 0.00 0.00 -1.71 0.00 0.00 66.02 64.86 2itz s SER 720 CO 0.01 -1.06 0.00 0.61 1.20 0.00 0.00 173.24 174.00 2itz n GLY 721 N -0.71 -1.77 7.00 9.45 0.00 -1.17 -4.76 105.19 113.22 2itz n GLY 721 Ca 0.05 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.54 2itz n GLY 721 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2itz n ALA 722 N -1.52 0.00 -0.04 4.61 0.00 -1.26 -1.93 120.51 120.36 2itz n ALA 722 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 2itz n ALA 722 Cb 0.00 0.00 0.37 0.00 0.00 0.00 0.00 19.45 19.82 2itz n ALA 722 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2itz h PHE 723 N 0.00 0.61 -2.69 0.00 -0.00 -1.95 -3.47 116.94 109.44 2itz h PHE 723 Ca 0.00 0.01 -0.59 0.00 -0.00 0.00 0.00 57.97 57.39 2itz h PHE 723 Cb 0.00 -0.20 0.16 0.00 -0.00 0.00 0.00 35.95 35.91 2itz h PHE 723 CO 0.00 0.41 -0.43 0.41 -0.00 0.00 0.00 178.31 178.70 2itz n GLY 724 N -1.39 -1.57 3.15 6.09 0.00 -0.81 -0.93 105.19 109.73 2itz n GLY 724 Ca 0.04 -0.09 0.05 0.00 0.00 0.00 0.00 46.02 46.03 2itz n GLY 724 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2itz s THR 725 N -1.64 -0.40 -0.13 2.61 -1.32 -1.17 -3.06 115.64 110.53 2itz s THR 725 Ca 0.66 0.00 -0.01 0.00 -1.21 0.00 0.00 61.69 61.13 2itz s THR 725 Cb -0.50 -0.59 -0.02 0.00 -1.51 0.00 0.00 72.50 69.88 2itz s THR 725 CO 0.57 0.00 -0.11 -0.69 -2.21 0.00 0.00 174.62 172.17 2itz s VAL 726 N 2.94 3.24 0.14 5.08 1.01 0.22 -1.80 120.40 131.22 2itz s VAL 726 Ca 0.17 -0.60 0.10 0.00 0.00 0.00 0.00 61.98 61.65 2itz s VAL 726 Cb -0.06 -2.37 -0.04 0.00 0.00 0.00 0.00 36.38 33.91 2itz s VAL 726 CO -0.20 0.52 -0.20 -0.31 0.00 0.00 0.00 175.10 174.92 2itz s TYR 727 N 0.26 2.46 0.37 5.22 1.51 0.21 -0.67 117.35 126.71 2itz s TYR 727 Ca -0.08 -0.30 -0.24 0.00 -1.01 0.00 0.00 57.07 55.45 2itz s TYR 727 Cb -0.15 -1.29 -0.10 0.00 -0.11 0.00 0.00 41.96 40.31 2itz s TYR 727 CO 0.05 0.41 0.95 0.21 -1.11 0.00 0.00 175.55 176.05 2itz s LYS 728 N -2.27 4.43 0.20 -0.62 2.20 -0.09 -0.08 119.74 123.51 2itz s LYS 728 Ca 0.18 1.24 -0.10 0.00 -0.36 0.00 0.00 55.97 56.93 2itz s LYS 728 Cb -0.10 -2.53 0.04 0.00 -1.51 0.00 0.00 37.83 33.73 2itz s LYS 728 CO 0.10 0.15 0.53 0.41 -0.36 0.00 0.00 175.35 176.17 2itz n GLY 729 N 0.05 1.22 3.02 5.54 0.00 0.75 -2.36 105.19 113.40 2itz n GLY 729 Ca 0.04 -1.13 -0.21 0.00 0.00 0.00 0.00 46.02 44.72 2itz n GLY 729 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2itz s LEU 730 N 0.00 1.85 -0.15 0.99 2.96 -1.01 -2.03 118.68 121.29 2itz s LEU 730 Ca 0.11 -0.20 0.02 0.00 -0.22 0.00 0.00 54.13 53.84 2itz s LEU 730 Cb -0.03 -0.58 0.02 0.00 0.50 0.00 0.00 46.19 46.10 2itz s LEU 730 CO 0.06 0.09 -0.19 0.86 -1.32 0.00 0.00 176.35 175.84 2itz s TRP 731 N 0.08 2.55 -0.41 5.38 -0.00 -0.08 -0.70 118.94 125.75 2itz s TRP 731 Ca -0.01 -1.38 -0.05 0.00 -0.00 0.00 0.00 56.10 54.66 2itz s TRP 731 Cb -0.08 -1.77 0.10 0.00 -0.00 0.00 0.00 33.47 31.72 2itz s TRP 731 CO 0.00 -0.67 0.22 0.42 -0.00 0.00 0.00 176.95 176.92 2itz s ILE 732 N 1.08 3.63 0.12 5.86 1.01 0.16 -0.65 121.20 132.42 2itz s ILE 732 Ca -0.01 -1.77 -0.31 0.00 0.00 0.00 0.00 60.65 58.55 2itz s ILE 732 Cb -0.14 -3.36 -0.09 0.00 0.01 0.00 0.00 42.46 38.87 2itz s ILE 732 CO -0.07 -0.59 1.62 -2.84 0.00 0.00 0.00 174.94 173.06 2itz s PRO 733 N 1.26 4.20 0.00 2.79 0.02 -1.26 -4.67 135.00 137.34 2itz s PRO 733 Ca 0.05 2.36 0.00 0.00 0.02 0.00 0.00 61.00 63.43 2itz s PRO 733 Cb -0.23 -3.37 0.00 0.00 0.02 0.00 0.00 34.50 30.92 2itz s PRO 733 CO -0.02 -0.68 0.00 0.39 -0.33 0.00 0.00 177.00 176.36 2itz n GLU 734 N 4.78 0.00 -3.37 5.54 -0.58 -1.26 -2.06 120.64 123.69 2itz n GLU 734 Ca 0.15 0.00 -0.46 0.00 -0.42 0.00 0.00 57.16 56.43 2itz n GLU 734 Cb 0.39 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 31.23 2itz n GLU 734 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 2itz s GLY 735 N 0.00 2.59 0.00 0.62 0.00 -1.26 -4.77 107.32 104.50 2itz s GLY 735 Ca 0.00 -3.23 0.00 0.00 0.00 0.00 0.00 44.72 41.49 2itz s GLY 735 CO 0.00 1.24 0.00 1.18 0.00 0.00 0.00 173.10 175.52 2itz n GLU 736 N 4.05 3.03 -3.21 2.90 1.02 -0.88 -5.05 120.64 122.50 2itz n GLU 736 Ca 0.10 0.00 -0.21 0.00 -0.02 0.00 0.00 57.16 57.03 2itz n GLU 736 Cb 0.45 -0.24 0.05 0.00 -0.02 0.00 0.00 31.44 31.69 2itz n GLU 736 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2itz n LYS 737 N -0.44 -5.85 -4.39 3.49 4.81 -1.26 -5.01 118.16 109.52 2itz n LYS 737 Ca 0.00 0.81 -0.20 0.00 -0.87 0.00 0.00 58.31 58.05 2itz n LYS 737 Cb 0.00 -5.59 -0.14 0.00 0.02 0.00 0.00 35.03 29.32 2itz n LYS 737 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 2itz s VAL 738 N -3.21 0.99 -0.14 3.15 -7.23 -1.26 -4.86 120.40 107.83 2itz s VAL 738 Ca 0.40 -0.80 -0.00 0.00 -1.81 0.00 0.00 61.98 59.77 2itz s VAL 738 Cb -0.18 -0.88 -0.01 0.00 0.56 0.00 0.00 36.38 35.88 2itz s VAL 738 CO 0.50 0.08 -0.13 -0.54 -0.31 0.00 0.00 175.10 174.69 2itz s LYS 739 N -0.82 3.35 -0.22 4.82 1.02 0.32 -4.18 119.74 124.02 2itz s LYS 739 Ca 0.02 -0.70 -0.01 0.00 0.02 0.00 0.00 55.97 55.30 2itz s LYS 739 Cb -0.07 -2.66 0.02 0.00 -0.52 0.00 0.00 37.83 34.61 2itz s LYS 739 CO 0.01 0.14 -0.11 0.42 -0.92 0.00 0.00 175.35 174.89 2itz s ILE 740 N 0.54 2.67 0.09 2.17 1.01 0.18 -1.59 121.20 126.26 2itz s ILE 740 Ca -0.09 -0.93 -0.31 0.00 0.00 0.00 0.00 60.65 59.33 2itz s ILE 740 Cb -0.16 -2.27 -0.08 0.00 0.01 0.00 0.00 42.46 39.97 2itz s ILE 740 CO 0.04 0.34 1.45 -2.84 0.00 0.00 0.00 174.94 173.93 2itz s PRO 741 N 1.33 4.28 0.04 2.79 0.02 -1.26 -0.90 135.00 141.29 2itz s PRO 741 Ca 0.02 2.12 0.02 0.00 0.02 0.00 0.00 61.00 63.18 2itz s PRO 741 Cb -0.15 -3.36 -0.02 0.00 0.02 0.00 0.00 34.50 30.98 2itz s PRO 741 CO -0.07 -0.53 -0.06 0.14 -0.33 0.00 0.00 177.00 176.14 2itz s VAL 742 N 1.63 0.42 -0.03 3.83 -7.23 -0.86 -2.00 120.40 116.17 2itz s VAL 742 Ca 0.66 -1.01 -0.03 0.00 -1.81 0.00 0.00 61.98 59.80 2itz s VAL 742 Cb -0.37 -0.51 -0.04 0.00 0.56 0.00 0.00 36.38 36.02 2itz s VAL 742 CO 0.30 -0.40 0.15 0.00 -0.31 0.00 0.00 175.10 174.84 2itz s ALA 743 N -1.36 3.85 -0.13 1.32 0.00 0.12 -0.18 121.76 125.38 2itz s ALA 743 Ca -0.11 -0.77 0.01 0.00 0.00 0.00 0.00 51.96 51.09 2itz s ALA 743 Cb -0.10 -1.82 0.02 0.00 0.00 0.00 0.00 23.12 21.22 2itz s ALA 743 CO 0.00 0.71 -0.14 0.42 0.00 0.00 0.00 175.76 176.75 2itz s ILE 744 N -1.24 1.50 -0.28 0.00 1.01 0.88 -1.19 121.20 121.88 2itz s ILE 744 Ca 0.24 -0.61 -0.04 0.00 0.00 0.00 0.00 60.65 60.24 2itz s ILE 744 Cb -0.12 -1.40 0.02 0.00 0.01 0.00 0.00 42.46 40.96 2itz s ILE 744 CO 0.15 0.44 0.02 -0.75 0.00 0.00 0.00 174.94 174.81 2itz s LYS 745 N 1.33 2.94 0.08 2.79 2.36 0.40 -0.62 119.74 129.02 2itz s LYS 745 Ca 0.01 -0.94 0.02 0.00 -2.55 0.00 0.00 55.97 52.51 2itz s LYS 745 Cb -0.13 -3.21 -0.04 0.00 -1.05 0.00 0.00 37.83 33.39 2itz s LYS 745 CO -0.07 -0.44 0.14 -1.21 1.55 0.00 0.00 175.35 175.31 2itz s GLU 746 N 1.41 3.11 -0.52 4.03 2.02 -0.75 -1.89 118.70 126.12 2itz s GLU 746 Ca 0.01 -0.60 0.01 0.00 0.02 0.00 0.00 54.97 54.40 2itz s GLU 746 Cb -0.17 -2.85 0.51 0.00 0.10 0.00 0.00 34.13 31.72 2itz s GLU 746 CO -0.00 0.58 1.95 -0.11 0.02 0.00 0.00 175.26 177.69 2itz n LEU 747 N 0.32 7.03 0.00 1.80 7.94 -1.26 -3.04 117.00 129.78 2itz n LEU 747 Ca -0.07 -3.81 0.00 0.00 -1.11 0.00 0.00 56.01 51.02 2itz n LEU 747 Cb 0.52 -0.91 0.00 0.00 0.53 0.00 0.00 43.42 43.56 2itz n LEU 747 CO 0.47 1.23 0.00 0.54 -1.11 0.00 0.00 177.39 178.53 2itz n ARG 748 N -0.86 0.00 0.09 1.96 1.74 -0.10 -4.73 116.66 114.76 2itz n ARG 748 Ca 0.57 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 57.54 2itz n ARG 748 Cb 1.08 0.00 -0.07 0.00 -1.02 0.00 0.00 32.46 32.45 2itz n ARG 748 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 2itz h GLU 749 N 0.00 -0.29 -5.56 5.56 4.57 -1.94 -3.44 114.58 113.49 2itz h GLU 749 Ca 0.00 0.02 -0.46 0.00 -1.18 0.00 0.00 59.36 57.74 2itz h GLU 749 Cb 0.00 0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.66 2itz h GLU 749 CO 0.00 0.09 1.62 0.00 -1.18 0.00 0.00 179.01 179.54 2itz n ALA 750 N -2.58 0.74 0.31 2.92 0.00 -1.26 -4.84 120.51 115.79 2itz n ALA 750 Ca -0.08 -0.91 0.00 0.00 0.00 0.00 0.00 53.44 52.45 2itz n ALA 750 Cb 0.25 -3.15 0.00 0.00 0.00 0.00 0.00 19.45 16.55 2itz n ALA 750 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2itz n THR 751 N 7.98 0.80 -1.69 0.00 -2.24 -1.26 -4.91 114.28 112.96 2itz n THR 751 Ca 0.39 -0.10 -0.43 0.00 -2.27 0.00 0.00 64.05 61.65 2itz n THR 751 Cb 0.51 -0.97 -0.03 0.00 -2.10 0.00 0.00 70.33 67.74 2itz n THR 751 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2itz s SER 752 N 1.32 5.83 0.28 3.42 0.15 -1.26 -4.86 113.70 118.58 2itz s SER 752 Ca 0.00 2.04 0.24 0.00 0.70 0.00 0.00 55.95 58.93 2itz s SER 752 Cb 0.00 -2.52 0.89 0.00 -1.71 0.00 0.00 66.02 62.68 2itz s SER 752 CO 0.00 -1.64 0.82 -2.65 1.20 0.00 0.00 173.24 170.97 2itz n PRO 753 N 8.32 -0.00 -0.13 5.44 -0.02 -1.26 -0.53 135.00 146.81 2itz n PRO 753 Ca 0.26 0.59 -0.04 0.00 -2.02 0.00 0.00 63.50 62.29 2itz n PRO 753 Cb 0.44 -1.32 0.04 0.00 -0.02 0.00 0.00 33.50 32.64 2itz n PRO 753 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 2itz h LYS 754 N 0.00 0.23 -0.84 -0.52 1.63 -1.99 -3.03 116.57 112.06 2itz h LYS 754 Ca 0.49 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 60.27 2itz h LYS 754 Cb 1.88 -0.05 -0.04 0.00 -0.60 0.00 0.00 32.23 33.42 2itz h LYS 754 CO -0.06 0.15 0.50 0.00 -3.45 0.00 0.00 179.45 176.59 2itz h ALA 755 N 1.31 1.31 -0.01 5.00 0.00 -1.17 -3.12 119.26 122.58 2itz h ALA 755 Ca 0.20 -0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.89 2itz h ALA 755 Cb 0.24 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2itz h ALA 755 CO -0.26 0.59 -0.62 -0.91 0.00 0.00 0.00 179.25 178.06 2itz h ASN 756 N 1.16 0.06 0.26 0.00 -0.26 -1.68 -1.69 115.58 113.43 2itz h ASN 756 Ca 0.30 -0.04 -0.10 0.00 -0.56 0.00 0.00 56.30 55.91 2itz h ASN 756 Cb -0.05 -0.02 -0.01 0.00 -1.06 0.00 0.00 38.32 37.18 2itz h ASN 756 CO -0.06 0.66 -0.39 0.50 -1.06 0.00 0.00 177.43 177.09 2itz h LYS 757 N 0.04 0.18 0.13 0.81 3.11 -1.51 -1.01 116.57 118.32 2itz h LYS 757 Ca -0.01 -0.08 -0.29 0.00 -2.81 0.00 0.00 60.65 57.47 2itz h LYS 757 Cb 1.10 -0.00 0.03 0.00 -1.00 0.00 0.00 32.23 32.36 2itz h LYS 757 CO 0.08 0.55 -1.21 0.93 -2.81 0.00 0.00 179.45 176.99 2itz h GLU 758 N 0.15 0.58 0.00 1.90 4.39 -1.48 -3.02 114.58 117.10 2itz h GLU 758 Ca 0.02 -0.81 -0.12 0.00 0.34 0.00 0.00 59.36 58.79 2itz h GLU 758 Cb 0.76 0.27 -0.02 0.00 -0.10 0.00 0.00 28.75 29.67 2itz h GLU 758 CO 0.06 1.37 -0.57 0.97 -1.16 0.00 0.00 179.01 179.68 2itz h ILE 759 N 0.19 1.21 0.00 3.13 2.10 -1.24 -2.67 117.51 120.23 2itz h ILE 759 Ca -0.19 -2.08 -0.13 0.00 1.08 0.00 0.00 64.86 63.54 2itz h ILE 759 Cb 1.90 2.19 -0.02 0.00 -1.09 0.00 0.00 36.82 39.80 2itz h ILE 759 CO 0.23 0.55 -0.63 -0.07 -1.08 0.00 0.00 178.15 177.16 2itz h LEU 760 N 0.00 0.00 -0.39 2.19 3.38 -1.25 -1.69 115.31 117.55 2itz h LEU 760 Ca -0.01 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 2itz h LEU 760 Cb 1.14 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 2itz h LEU 760 CO 0.07 0.63 -0.15 0.44 0.09 0.00 0.00 178.44 179.53 2itz h ASP 761 N 0.00 0.81 -0.25 -0.43 3.32 -1.39 -1.14 116.42 117.33 2itz h ASP 761 Ca -0.01 -0.39 0.05 0.00 0.02 0.00 0.00 57.03 56.71 2itz h ASP 761 Cb 1.37 -0.22 -0.05 0.00 0.22 0.00 0.00 39.33 40.65 2itz h ASP 761 CO 0.08 1.01 -0.06 -0.08 -1.72 0.00 0.00 179.24 178.47 2itz h GLU 762 N 0.60 -0.00 -0.54 3.56 4.81 -1.27 -1.46 114.58 120.27 2itz h GLU 762 Ca 0.09 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.37 2itz h GLU 762 Cb 0.69 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.02 2itz h GLU 762 CO 0.05 -0.00 0.28 0.00 -0.73 0.00 0.00 179.01 178.60 2itz h ALA 763 N 1.25 0.70 -0.54 2.92 0.00 -1.18 0.23 119.26 122.65 2itz h ALA 763 Ca 0.12 0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.13 2itz h ALA 763 Cb 0.18 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.84 2itz h ALA 763 CO -0.26 -0.07 0.21 -0.92 0.00 0.00 0.00 179.25 178.21 2itz h TYR 764 N 0.53 0.37 0.41 0.00 5.03 -0.78 0.27 116.97 122.79 2itz h TYR 764 Ca 0.24 0.03 -0.02 0.00 2.58 0.00 0.00 58.73 61.56 2itz h TYR 764 Cb 0.15 -0.08 0.00 0.00 1.55 0.00 0.00 36.73 38.35 2itz h TYR 764 CO -0.10 0.12 -0.20 0.28 -1.32 0.00 0.00 178.16 176.95 2itz h VAL 765 N 0.40 0.37 -0.65 1.81 2.07 -0.46 -2.88 116.25 116.91 2itz h VAL 765 Ca 0.26 -0.62 0.19 0.00 0.82 0.00 0.00 66.70 67.35 2itz h VAL 765 Cb 0.28 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 2itz h VAL 765 CO -0.25 0.08 0.50 0.24 0.02 0.00 0.00 177.57 178.15 2itz h MET 766 N -1.00 0.00 0.00 1.57 2.86 -0.47 0.36 114.93 118.26 2itz h MET 766 Ca -0.06 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 2itz h MET 766 Cb 0.54 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.20 2itz h MET 766 CO 0.09 0.00 0.00 0.00 1.06 0.00 0.00 176.91 178.06 2itz h ALA 767 N 1.62 1.00 -0.02 6.32 0.00 -0.48 -1.61 119.26 126.08 2itz h ALA 767 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2itz h ALA 767 Cb 1.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2itz h ALA 767 CO -0.00 0.00 -0.13 0.43 0.00 0.00 0.00 179.25 179.54 2itz n SER 768 N -2.71 1.70 -4.64 0.00 7.64 0.13 -4.70 113.62 111.04 2itz n SER 768 Ca 0.04 -1.42 -0.35 0.00 1.01 0.00 0.00 58.87 58.16 2itz n SER 768 Cb 0.44 0.10 -0.10 0.00 -1.01 0.00 0.00 64.21 63.64 2itz n SER 768 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2itz s VAL 769 N -2.20 4.18 -0.29 0.44 -7.23 -1.17 -5.04 120.40 109.09 2itz s VAL 769 Ca 0.30 -0.29 -0.04 0.00 -1.81 0.00 0.00 61.98 60.14 2itz s VAL 769 Cb 0.20 -2.77 0.10 0.00 0.56 0.00 0.00 36.38 34.47 2itz s VAL 769 CO 0.41 0.58 0.13 -0.62 -0.31 0.00 0.00 175.10 175.29 2itz s ASP 770 N -0.63 3.54 -0.17 4.85 2.15 -1.26 -4.72 116.67 120.43 2itz s ASP 770 Ca 0.10 -1.29 -0.29 0.00 0.43 0.00 0.00 52.55 51.49 2itz s ASP 770 Cb -0.12 -0.38 0.12 0.00 -0.30 0.00 0.00 42.92 42.24 2itz s ASP 770 CO 0.02 -0.44 0.95 0.21 -0.17 0.00 0.00 175.17 175.74 2itz s ASN 771 N 2.07 -0.43 0.65 -0.34 3.84 -1.26 -5.05 114.94 114.42 2itz s ASN 771 Ca 0.09 0.55 0.44 0.00 0.21 0.00 0.00 52.86 54.14 2itz s ASN 771 Cb -0.16 0.46 2.36 0.00 -0.55 0.00 0.00 41.25 43.36 2itz s ASN 771 CO -0.36 -0.35 2.33 -0.65 -2.79 0.00 0.00 177.10 175.29 2itz h PRO 772 N 2.94 0.00 -0.30 0.43 0.11 -1.99 -2.90 132.00 130.30 2itz h PRO 772 Ca -0.21 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.78 2itz h PRO 772 Cb 1.16 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.20 2itz h PRO 772 CO 0.28 0.00 -0.05 0.72 -0.21 0.00 0.00 178.00 178.74 2itz n HIS 773 N -3.04 0.98 -3.82 0.65 8.25 -1.26 -4.74 115.22 112.25 2itz n HIS 773 Ca -0.03 -1.36 -0.13 0.00 -0.26 0.00 0.00 57.72 55.94 2itz n HIS 773 Cb 0.07 -0.42 -0.15 0.00 1.12 0.00 0.00 29.99 30.61 2itz n HIS 773 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2itz s VAL 774 N -3.11 -0.03 0.03 1.59 1.01 -1.09 -0.49 120.40 118.31 2itz s VAL 774 Ca 0.43 0.10 -0.30 0.00 0.00 0.00 0.00 61.98 62.21 2itz s VAL 774 Cb 0.38 -0.08 -0.04 0.00 0.00 0.00 0.00 36.38 36.64 2itz s VAL 774 CO 0.02 0.04 1.02 0.00 0.00 0.00 0.00 175.10 176.18 2itz s ARG 776 N 0.86 3.37 -0.06 0.00 3.52 -1.26 -4.88 118.95 120.50 2itz s ARG 776 Ca 0.52 -0.55 -0.28 0.00 -0.13 0.00 0.00 55.73 55.30 2itz s ARG 776 Cb -0.23 -2.97 -0.02 0.00 -1.56 0.00 0.00 34.95 30.17 2itz s ARG 776 CO 0.29 0.56 0.91 -1.17 -0.81 0.00 0.00 175.30 175.08 2itz s LEU 777 N -2.84 4.30 0.16 -0.88 2.96 -0.61 -4.22 118.68 117.55 2itz s LEU 777 Ca 0.34 1.46 0.12 0.00 -0.22 0.00 0.00 54.13 55.83 2itz s LEU 777 Cb -0.12 -3.42 -0.09 0.00 0.50 0.00 0.00 46.19 43.06 2itz s LEU 777 CO 0.28 -0.30 1.23 -0.07 -1.32 0.00 0.00 176.35 176.17 2itz h LEU 778 N 7.32 0.00 0.00 -0.68 3.38 -0.06 -3.44 115.31 121.82 2itz h LEU 778 Ca -0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.60 2itz h LEU 778 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 2itz h LEU 778 CO 0.79 0.75 0.00 0.61 0.09 0.00 0.00 178.44 180.68 2itz n GLY 779 N 1.33 -1.12 3.29 0.83 0.00 -1.18 -4.67 105.19 103.67 2itz n GLY 779 Ca -0.02 -1.43 -0.17 0.00 0.00 0.00 0.00 46.02 44.40 2itz n GLY 779 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2itz s ILE 780 N -2.46 1.48 -0.20 -0.61 -4.36 0.38 -1.27 121.20 114.15 2itz s ILE 780 Ca 0.00 -2.03 0.01 0.00 -0.26 0.00 0.00 60.65 58.37 2itz s ILE 780 Cb 0.00 -1.85 0.04 0.00 1.25 0.00 0.00 42.46 41.90 2itz s ILE 780 CO 0.00 -0.58 -0.13 0.00 0.24 0.00 0.00 174.94 174.47 2itz n LEU 782 N 4.64 5.56 -4.19 0.00 4.77 -1.26 -1.78 117.00 124.73 2itz n LEU 782 Ca -0.16 -2.63 -0.27 0.00 -0.03 0.00 0.00 56.01 52.91 2itz n LEU 782 Cb 0.47 -1.07 0.26 0.00 -2.33 0.00 0.00 43.42 40.75 2itz n LEU 782 CO 0.22 1.04 0.28 0.35 -1.33 0.00 0.00 177.39 177.95 2itz n THR 783 N 1.06 0.00 -0.29 -5.08 -2.24 -1.26 -4.77 114.28 101.70 2itz n THR 783 Ca 0.10 -0.07 0.28 0.00 -2.27 0.00 0.00 64.05 62.09 2itz n THR 783 Cb 0.54 -0.87 0.50 0.00 -2.10 0.00 0.00 70.33 68.40 2itz n THR 783 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2itz n SER 784 N -4.60 0.26 -4.47 3.42 7.64 -1.26 -4.19 113.62 110.42 2itz n SER 784 Ca 0.11 1.31 -0.23 0.00 1.01 0.00 0.00 58.87 61.06 2itz n SER 784 Cb 0.54 -0.64 -0.10 0.00 -1.01 0.00 0.00 64.21 62.99 2itz n SER 784 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2itz s THR 785 N -5.17 1.97 -0.08 0.44 -1.32 -1.26 -4.93 115.64 105.29 2itz s THR 785 Ca -0.07 -2.20 -0.26 0.00 -1.21 0.00 0.00 61.69 57.94 2itz s THR 785 Cb 0.27 -2.46 -0.03 0.00 -1.51 0.00 0.00 72.50 68.78 2itz s THR 785 CO 0.65 -0.31 0.85 -0.69 -2.21 0.00 0.00 174.62 172.91 2itz s VAL 786 N -2.80 4.92 -0.17 5.08 1.01 -1.26 -4.72 120.40 122.46 2itz s VAL 786 Ca 0.30 1.74 -0.01 0.00 0.00 0.00 0.00 61.98 64.01 2itz s VAL 786 Cb 0.02 -4.18 -0.01 0.00 0.00 0.00 0.00 36.38 32.21 2itz s VAL 786 CO 0.13 0.14 -0.12 -1.10 0.00 0.00 0.00 175.10 174.15 2itz s GLN 787 N 1.37 3.28 0.04 2.72 -0.21 -0.73 -4.39 119.66 121.74 2itz s GLN 787 Ca 0.43 -0.71 -0.23 0.00 0.02 0.00 0.00 55.36 54.87 2itz s GLN 787 Cb -0.18 -2.72 -0.06 0.00 1.00 0.00 0.00 33.01 31.05 2itz s GLN 787 CO 0.19 -0.00 0.70 -0.51 -2.12 0.00 0.00 175.29 173.55 2itz s LEU 788 N 0.89 4.45 -0.08 2.90 1.43 -0.79 -1.04 118.68 126.44 2itz s LEU 788 Ca -0.03 1.36 0.04 0.00 -1.03 0.00 0.00 54.13 54.47 2itz s LEU 788 Cb -0.15 -3.12 0.00 0.00 0.03 0.00 0.00 46.19 42.95 2itz s LEU 788 CO -0.01 0.06 -0.21 -0.63 0.23 0.00 0.00 176.35 175.80 2itz s ILE 789 N -0.20 1.81 0.09 -0.59 1.09 -0.40 -0.45 121.20 122.54 2itz s ILE 789 Ca 0.36 -0.88 -0.07 0.00 -1.10 0.00 0.00 60.65 58.95 2itz s ILE 789 Cb -0.20 -1.57 -0.01 0.00 -1.06 0.00 0.00 42.46 39.63 2itz s ILE 789 CO 0.21 0.50 0.16 0.28 -0.10 0.00 0.00 174.94 175.99 2itz s THR 790 N 0.32 0.15 -0.09 2.92 -1.32 -0.33 0.71 115.64 118.00 2itz s THR 790 Ca -0.15 -1.31 -0.38 0.00 -1.21 0.00 0.00 61.69 58.64 2itz s THR 790 Cb -0.16 -1.42 -0.16 0.00 -1.51 0.00 0.00 72.50 69.25 2itz s THR 790 CO 0.07 -0.68 1.55 1.67 -2.21 0.00 0.00 174.62 175.02 2itz n GLN 791 N -0.05 1.18 -1.68 7.08 7.27 -1.26 0.13 117.38 130.05 2itz n GLN 791 Ca -0.14 0.43 -0.45 0.00 0.07 0.00 0.00 57.00 56.91 2itz n GLN 791 Cb 0.62 -2.10 -0.04 0.00 2.41 0.00 0.00 30.24 31.14 2itz n GLN 791 CO 0.00 0.00 0.00 -0.11 0.07 0.00 0.00 177.06 177.02 2itz n LEU 792 N 3.98 3.30 -4.25 1.69 7.94 -0.85 -4.35 117.00 124.47 2itz n LEU 792 Ca 0.22 1.08 -0.43 0.00 -1.11 0.00 0.00 56.01 55.77 2itz n LEU 792 Cb 0.16 -1.46 -0.05 0.00 0.53 0.00 0.00 43.42 42.60 2itz n LEU 792 CO 0.71 -0.19 0.27 -0.04 -1.11 0.00 0.00 177.39 177.04 2itz s MET 793 N 0.91 3.19 0.35 1.96 -1.94 -1.26 -4.90 119.30 117.61 2itz s MET 793 Ca 0.77 -2.43 0.06 0.00 -1.71 0.00 0.00 55.69 52.39 2itz s MET 793 Cb -0.64 -4.17 0.73 0.00 2.01 0.00 0.00 34.83 32.76 2itz s MET 793 CO 0.37 -1.25 1.93 -1.35 -0.01 0.00 0.00 175.02 174.71 2itz h PRO 794 N 7.60 0.76 -0.20 2.03 0.11 -1.72 -0.24 132.00 140.34 2itz h PRO 794 Ca 0.04 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.10 2itz h PRO 794 Cb 1.01 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.95 2itz h PRO 794 CO 0.76 0.50 0.00 1.19 -0.21 0.00 0.00 178.00 180.24 2itz n PHE 795 N -4.50 0.26 -4.39 0.65 3.01 -0.98 -5.02 117.46 106.50 2itz n PHE 795 Ca 0.13 -0.13 0.00 0.00 1.01 0.00 0.00 57.45 58.45 2itz n PHE 795 Cb 0.28 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.75 2itz n PHE 795 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2itz n GLY 796 N 1.02 -1.13 3.76 1.37 0.00 -0.10 -4.76 105.19 105.34 2itz n GLY 796 Ca 0.13 -1.19 -0.41 0.00 0.00 0.00 0.00 46.02 44.54 2itz n GLY 796 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2itz h LEU 798 N 4.52 1.00 -0.14 0.00 5.85 0.02 -2.31 115.31 124.24 2itz h LEU 798 Ca -0.48 -0.19 0.04 0.00 0.84 0.00 0.00 57.88 58.09 2itz h LEU 798 Cb 1.22 -0.26 -0.07 0.00 0.37 0.00 0.00 40.66 41.93 2itz h LEU 798 CO 0.77 0.95 -0.41 0.25 -0.34 0.00 0.00 178.44 179.65 2itz h LEU 799 N 1.01 -1.29 -1.66 2.25 5.85 -1.76 0.12 115.31 119.83 2itz h LEU 799 Ca 0.22 0.17 0.00 0.00 0.84 0.00 0.00 57.88 59.11 2itz h LEU 799 Cb 0.33 0.53 -0.02 0.00 0.37 0.00 0.00 40.66 41.87 2itz h LEU 799 CO -0.00 -0.42 0.22 0.44 -0.34 0.00 0.00 178.44 178.34 2itz h ASP 800 N -0.48 0.40 -0.14 1.25 3.45 -1.86 -2.23 116.42 116.81 2itz h ASP 800 Ca 0.08 -0.01 -0.20 0.00 0.43 0.00 0.00 57.03 57.33 2itz h ASP 800 Cb 0.62 -0.10 0.00 0.00 -0.56 0.00 0.00 39.33 39.29 2itz h ASP 800 CO -0.40 0.29 -0.66 0.22 -1.57 0.00 0.00 179.24 177.13 2itz h TYR 801 N 0.47 0.99 -0.43 4.55 5.03 -0.62 0.26 116.97 127.21 2itz h TYR 801 Ca 0.13 -0.39 -0.13 0.00 2.58 0.00 0.00 58.73 60.91 2itz h TYR 801 Cb -0.05 -0.17 -0.01 0.00 1.55 0.00 0.00 36.73 38.05 2itz h TYR 801 CO 0.00 1.21 -0.24 -0.39 -1.32 0.00 0.00 178.16 177.42 2itz h VAL 802 N 0.55 1.27 -0.11 1.81 -1.51 -0.58 -1.03 116.25 116.65 2itz h VAL 802 Ca -0.02 -1.39 -0.00 0.00 -1.23 0.00 0.00 66.70 64.07 2itz h VAL 802 Cb 1.26 1.19 -0.01 0.00 -2.13 0.00 0.00 31.29 31.60 2itz h VAL 802 CO 0.14 0.47 0.07 0.03 -1.23 0.00 0.00 177.57 177.04 2itz h ARG 803 N 0.77 0.15 0.00 5.19 3.08 -1.22 -0.30 114.38 122.06 2itz h ARG 803 Ca 0.10 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.09 2itz h ARG 803 Cb 0.79 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.80 2itz h ARG 803 CO 0.07 0.14 -0.20 1.49 -1.07 0.00 0.00 179.97 180.40 2itz h GLU 804 N 0.12 0.00 0.00 0.04 4.57 -0.40 -3.30 114.58 115.60 2itz h GLU 804 Ca 0.04 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.20 2itz h GLU 804 Cb 0.03 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.58 2itz h GLU 804 CO -0.01 0.20 -0.35 0.72 -1.18 0.00 0.00 179.01 178.40 2itz n HIS 805 N -4.04 0.00 -0.19 0.92 8.25 -0.40 -4.84 115.22 114.92 2itz n HIS 805 Ca -0.02 -0.92 -0.03 0.00 -0.26 0.00 0.00 57.72 56.48 2itz n HIS 805 Cb 0.28 -0.16 -0.02 0.00 1.12 0.00 0.00 29.99 31.20 2itz n HIS 805 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2itz n LYS 806 N -0.89 -0.17 0.00 -0.41 5.02 -0.16 -0.64 118.16 120.92 2itz n LYS 806 Ca 0.13 0.71 0.02 0.00 -2.02 0.00 0.00 58.31 57.15 2itz n LYS 806 Cb 0.72 -1.04 0.11 0.00 -0.02 0.00 0.00 35.03 34.80 2itz n LYS 806 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2itz n ASP 807 N -4.62 0.00 -0.11 4.39 8.00 -1.26 -2.75 116.55 120.20 2itz n ASP 807 Ca 0.02 0.43 0.01 0.00 0.71 0.00 0.00 54.79 55.96 2itz n ASP 807 Cb 0.15 -0.45 0.01 0.00 -0.02 0.00 0.00 41.12 40.81 2itz n ASP 807 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2itz n ASN 808 N -1.45 0.56 -4.65 -2.24 4.05 0.19 -5.03 115.26 106.70 2itz n ASN 808 Ca 0.02 -1.56 -0.37 0.00 0.45 0.00 0.00 54.58 53.11 2itz n ASN 808 Cb 0.05 -0.08 -0.10 0.00 1.23 0.00 0.00 39.78 40.89 2itz n ASN 808 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 2itz s ILE 809 N -0.41 5.34 0.45 -1.44 1.01 -1.11 -4.54 121.20 120.50 2itz s ILE 809 Ca 0.02 0.23 0.07 0.00 0.00 0.00 0.00 60.65 60.97 2itz s ILE 809 Cb 0.02 -3.53 -0.01 0.00 0.01 0.00 0.00 42.46 38.95 2itz s ILE 809 CO 0.00 0.32 0.33 -0.83 0.00 0.00 0.00 174.94 174.76 2itz s GLY 810 N 1.18 2.26 0.38 6.18 0.00 -1.26 -5.01 107.32 111.05 2itz s GLY 810 Ca 0.08 -1.79 0.09 0.00 0.00 0.00 0.00 44.72 43.11 2itz s GLY 810 CO 0.06 -1.83 1.93 1.48 0.00 0.00 0.00 173.10 174.75 2itz h SER 811 N 1.07 0.57 -0.82 1.64 4.64 -1.89 -1.65 113.55 117.11 2itz h SER 811 Ca -0.41 0.02 0.03 0.00 -0.47 0.00 0.00 61.79 60.96 2itz h SER 811 Cb 1.27 -0.10 -0.05 0.00 -0.31 0.00 0.00 62.40 63.21 2itz h SER 811 CO 0.61 0.34 0.53 -0.61 -0.87 0.00 0.00 176.83 176.83 2itz h GLN 812 N 0.63 1.03 -0.11 4.77 5.75 -1.95 -2.06 115.11 123.17 2itz h GLN 812 Ca 0.35 -0.06 -0.02 0.00 -0.15 0.00 0.00 58.65 58.76 2itz h GLN 812 Cb 0.50 -0.23 -0.00 0.00 1.07 0.00 0.00 27.48 28.82 2itz h GLN 812 CO -0.13 0.68 -0.02 1.88 -2.65 0.00 0.00 178.83 178.59 2itz h TYR 813 N 1.06 0.23 -0.43 3.99 0.05 -1.71 -0.65 116.97 119.51 2itz h TYR 813 Ca 0.32 -0.05 0.01 0.00 0.05 0.00 0.00 58.73 59.07 2itz h TYR 813 Cb -0.03 -0.06 -0.03 0.00 1.01 0.00 0.00 36.73 37.63 2itz h TYR 813 CO -0.02 0.51 0.27 -0.07 -1.05 0.00 0.00 178.16 177.80 2itz h LEU 814 N -0.12 0.45 -0.55 3.88 3.38 -1.43 0.22 115.31 121.14 2itz h LEU 814 Ca 0.03 -0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.84 2itz h LEU 814 Cb 0.43 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 2itz h LEU 814 CO 0.01 0.32 -0.45 -0.07 0.09 0.00 0.00 178.44 178.34 2itz h LEU 815 N 0.55 0.70 -0.77 1.67 3.38 -1.36 -2.21 115.31 117.26 2itz h LEU 815 Ca 0.17 -0.34 -0.07 0.00 0.09 0.00 0.00 57.88 57.73 2itz h LEU 815 Cb -0.02 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 2itz h LEU 815 CO -0.06 1.05 0.11 0.78 0.09 0.00 0.00 178.44 180.41 2itz h ASN 816 N 0.52 0.99 -0.48 -0.43 -0.26 -0.74 -1.50 115.58 113.68 2itz h ASN 816 Ca 0.03 -0.22 0.02 0.00 -0.56 0.00 0.00 56.30 55.57 2itz h ASN 816 Cb 0.99 -0.26 -0.03 0.00 -1.06 0.00 0.00 38.32 37.96 2itz h ASN 816 CO 0.09 0.98 0.28 -0.50 -1.06 0.00 0.00 177.43 177.22 2itz h TRP 817 N 0.98 0.52 -0.97 1.19 6.55 -0.74 0.13 115.95 123.61 2itz h TRP 817 Ca 0.20 0.02 0.03 0.00 0.95 0.00 0.00 58.89 60.09 2itz h TRP 817 Cb 0.41 -0.17 -0.06 0.00 -0.86 0.00 0.00 29.16 28.49 2itz h TRP 817 CO 0.03 0.29 0.64 0.00 -1.05 0.00 0.00 178.44 178.35 2itz h VAL 819 N 1.24 1.05 -0.77 0.00 2.07 -0.70 -1.50 116.25 117.65 2itz h VAL 819 Ca 0.38 -0.17 -0.06 0.00 0.82 0.00 0.00 66.70 67.68 2itz h VAL 819 Cb -0.03 1.16 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 2itz h VAL 819 CO -0.11 0.04 0.26 1.56 0.02 0.00 0.00 177.57 179.34 2itz h GLN 820 N -0.08 1.18 -0.28 1.57 4.20 0.10 -1.55 115.11 120.24 2itz h GLN 820 Ca -0.00 -0.24 -0.11 0.00 0.06 0.00 0.00 58.65 58.36 2itz h GLN 820 Cb 0.08 -0.18 -0.00 0.00 0.30 0.00 0.00 27.48 27.68 2itz h GLN 820 CO 0.00 0.98 -0.25 0.82 -0.67 0.00 0.00 178.83 179.71 2itz h ILE 821 N 1.14 1.30 -0.27 2.54 2.04 -0.74 -1.09 117.51 122.44 2itz h ILE 821 Ca 0.25 -1.41 0.08 0.00 1.00 0.00 0.00 64.86 64.78 2itz h ILE 821 Cb 0.28 1.59 -0.01 0.00 -0.74 0.00 0.00 36.82 37.94 2itz h ILE 821 CO -0.01 0.45 0.24 0.00 0.00 0.00 0.00 178.15 178.83 2itz h ALA 822 N 0.70 2.04 0.00 1.87 0.00 -1.01 -0.25 119.26 122.62 2itz h ALA 822 Ca 0.05 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2itz h ALA 822 Cb 0.81 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2itz h ALA 822 CO 0.06 -0.38 -0.07 0.87 0.00 0.00 0.00 179.25 179.73 2itz h LYS 823 N 0.00 0.04 -0.85 0.00 1.57 -0.53 -1.48 116.57 115.32 2itz h LYS 823 Ca 0.13 -0.05 0.19 0.00 -1.87 0.00 0.00 60.65 59.05 2itz h LYS 823 Cb 0.61 0.01 -0.11 0.00 0.08 0.00 0.00 32.23 32.83 2itz h LYS 823 CO -0.00 0.86 0.38 0.78 -0.57 0.00 0.00 179.45 180.90 2itz h GLY 824 N -0.76 1.40 1.76 3.86 0.00 -0.62 0.63 103.07 109.34 2itz h GLY 824 Ca -0.01 -0.18 -0.19 0.00 0.00 0.00 0.00 47.33 46.96 2itz h GLY 824 CO 0.01 -0.18 -0.82 -0.33 0.00 0.00 0.00 176.54 175.23 2itz h MET 825 N 0.45 0.23 -0.08 4.80 2.86 -1.07 -2.12 114.93 120.00 2itz h MET 825 Ca 0.50 -0.22 -0.15 0.00 -2.06 0.00 0.00 59.70 57.78 2itz h MET 825 Cb 0.87 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.58 2itz h MET 825 CO -0.47 0.92 -0.59 -0.97 1.06 0.00 0.00 176.91 176.87 2itz h ASN 826 N 0.14 0.30 -0.08 1.22 -1.24 -0.34 -1.19 115.58 114.39 2itz h ASN 826 Ca -0.04 -0.17 -0.00 0.00 0.71 0.00 0.00 56.30 56.80 2itz h ASN 826 Cb 1.42 -0.09 -0.00 0.00 0.73 0.00 0.00 38.32 40.38 2itz h ASN 826 CO 0.13 0.82 0.05 0.22 -1.29 0.00 0.00 177.43 177.36 2itz h TYR 827 N 0.20 0.10 -0.81 0.67 3.20 -0.56 -1.45 116.97 118.32 2itz h TYR 827 Ca -0.00 0.00 0.05 0.00 3.14 0.00 0.00 58.73 61.92 2itz h TYR 827 Cb 1.09 -0.03 -0.06 0.00 1.54 0.00 0.00 36.73 39.27 2itz h TYR 827 CO 0.02 0.10 0.50 -0.07 -1.64 0.00 0.00 178.16 177.07 2itz h LEU 828 N 0.07 0.79 -0.36 2.82 3.38 -1.16 -1.54 115.31 119.32 2itz h LEU 828 Ca 0.03 0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.03 2itz h LEU 828 Cb 0.03 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 2itz h LEU 828 CO -0.01 0.52 0.18 -0.08 0.09 0.00 0.00 178.44 179.15 2itz h GLU 829 N 0.93 0.37 -0.97 1.13 4.81 -0.84 0.40 114.58 120.41 2itz h GLU 829 Ca 0.35 -0.02 0.11 0.00 -0.13 0.00 0.00 59.36 59.66 2itz h GLU 829 Cb 0.13 -0.08 -0.07 0.00 0.63 0.00 0.00 28.75 29.35 2itz h GLU 829 CO -0.16 0.24 0.62 -0.44 -0.73 0.00 0.00 179.01 178.54 2itz h ASP 830 N 0.38 0.90 -0.18 1.04 3.45 -0.26 0.70 116.42 122.44 2itz h ASP 830 Ca 0.15 0.03 0.00 0.00 0.43 0.00 0.00 57.03 57.64 2itz h ASP 830 Cb 0.05 -0.15 0.00 0.00 -0.56 0.00 0.00 39.33 38.67 2itz h ASP 830 CO -0.10 0.51 0.00 0.54 -1.57 0.00 0.00 179.24 178.62 2itz n ARG 831 N -4.57 1.55 -3.21 3.56 5.12 -0.83 -4.91 116.66 113.36 2itz n ARG 831 Ca 0.17 -0.83 -0.22 0.00 -1.93 0.00 0.00 57.85 55.04 2itz n ARG 831 Cb 0.32 -1.29 0.05 0.00 -1.16 0.00 0.00 32.46 30.38 2itz n ARG 831 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2itz n ARG 832 N 0.10 -5.87 -3.91 5.56 1.74 0.24 -5.00 116.66 109.52 2itz n ARG 832 Ca 0.12 0.82 -0.36 0.00 -0.77 0.00 0.00 57.85 57.66 2itz n ARG 832 Cb 0.23 -5.62 -0.07 0.00 -1.02 0.00 0.00 32.46 25.98 2itz n ARG 832 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2itz s LEU 833 N -6.54 4.22 -0.30 0.55 1.43 0.12 -2.38 118.68 115.77 2itz s LEU 833 Ca 0.40 0.35 -0.11 0.00 -1.03 0.00 0.00 54.13 53.75 2itz s LEU 833 Cb -0.18 -2.04 -0.03 0.00 0.03 0.00 0.00 46.19 43.98 2itz s LEU 833 CO 0.50 0.34 0.18 -0.69 0.23 0.00 0.00 176.35 176.91 2itz s VAL 834 N -0.60 5.01 0.17 -1.59 1.01 0.14 -4.16 120.40 120.40 2itz s VAL 834 Ca 0.12 -0.13 -0.09 0.00 0.00 0.00 0.00 61.98 61.88 2itz s VAL 834 Cb -0.12 -3.48 0.05 0.00 0.00 0.00 0.00 36.38 32.83 2itz s VAL 834 CO 0.02 0.14 1.61 -0.74 0.00 0.00 0.00 175.10 176.13 2itz h HIS 835 N 8.39 1.17 0.00 5.22 2.76 -1.90 -1.71 115.15 129.08 2itz h HIS 835 Ca -0.34 -0.23 0.00 0.00 -2.20 0.00 0.00 60.37 57.60 2itz h HIS 835 Cb 1.17 -0.29 0.00 0.00 1.55 0.00 0.00 27.41 29.83 2itz h HIS 835 CO 0.69 1.06 0.00 0.54 -1.30 0.00 0.00 177.93 178.92 2itz n ARG 836 N -4.15 -1.19 -2.64 5.26 1.74 -1.26 -2.77 116.66 111.65 2itz n ARG 836 Ca 0.02 0.30 -0.02 0.00 -0.77 0.00 0.00 57.85 57.38 2itz n ARG 836 Cb 0.39 -4.59 0.11 0.00 -1.02 0.00 0.00 32.46 27.35 2itz n ARG 836 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2itz n ASP 837 N -0.59 -0.85 -4.71 0.55 2.03 -1.26 -4.95 116.55 106.78 2itz n ASP 837 Ca 0.00 -2.17 -0.42 0.00 0.52 0.00 0.00 54.79 52.72 2itz n ASP 837 Cb 0.30 0.44 -0.03 0.00 -0.72 0.00 0.00 41.12 41.11 2itz n ASP 837 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 2itz s LEU 838 N -3.91 4.36 -0.05 -2.67 2.96 -1.26 -4.79 118.68 113.32 2itz s LEU 838 Ca 0.12 2.22 -0.29 0.00 -0.22 0.00 0.00 54.13 55.96 2itz s LEU 838 Cb 0.41 -3.58 0.11 0.00 0.50 0.00 0.00 46.19 43.63 2itz s LEU 838 CO -0.11 -0.65 0.92 0.00 -1.32 0.00 0.00 176.35 175.20 2itz s ALA 839 N 1.47 -1.86 0.44 5.97 0.00 -1.26 -4.74 121.76 121.78 2itz s ALA 839 Ca 0.64 1.18 0.18 0.00 0.00 0.00 0.00 51.96 53.96 2itz s ALA 839 Cb -0.34 0.12 1.11 0.00 0.00 0.00 0.00 23.12 24.00 2itz s ALA 839 CO 0.29 -0.59 1.90 0.00 0.00 0.00 0.00 175.76 177.36 2itz h ALA 840 N 2.16 2.21 0.00 0.00 0.00 -1.92 -0.01 119.26 121.70 2itz h ALA 840 Ca -0.21 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 2itz h ALA 840 Cb 1.22 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 2itz h ALA 840 CO 0.31 -0.44 -0.09 0.07 0.00 0.00 0.00 179.25 179.09 2itz h ARG 841 N 0.37 0.00 -0.78 0.00 0.11 -1.96 -2.50 114.38 109.62 2itz h ARG 841 Ca 0.40 0.00 -0.31 0.00 0.10 0.00 0.00 59.98 60.17 2itz h ARG 841 Cb 1.02 0.00 -0.18 0.00 1.11 0.00 0.00 29.97 31.92 2itz h ARG 841 CO -0.13 0.09 0.37 0.09 0.10 0.00 0.00 179.97 180.49 2itz n ASN 842 N -4.15 4.27 -4.21 0.08 3.02 -0.02 -4.75 115.26 109.49 2itz n ASN 842 Ca -0.03 -3.39 -0.32 0.00 -0.03 0.00 0.00 54.58 50.81 2itz n ASN 842 Cb 0.17 -0.76 -0.17 0.00 -0.61 0.00 0.00 39.78 38.42 2itz n ASN 842 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2itz s VAL 843 N -3.12 2.17 0.16 2.41 1.01 -0.96 -1.34 120.40 120.74 2itz s VAL 843 Ca 0.55 -0.96 0.07 0.00 0.00 0.00 0.00 61.98 61.63 2itz s VAL 843 Cb 0.45 -1.85 -0.04 0.00 0.00 0.00 0.00 36.38 34.94 2itz s VAL 843 CO 0.11 0.55 0.03 -0.76 0.00 0.00 0.00 175.10 175.03 2itz s LEU 844 N 0.57 3.44 -0.40 3.92 1.43 0.05 0.54 118.68 128.23 2itz s LEU 844 Ca -0.13 -0.31 -0.10 0.00 -1.03 0.00 0.00 54.13 52.56 2itz s LEU 844 Cb -0.17 -2.09 0.05 0.00 0.03 0.00 0.00 46.19 44.01 2itz s LEU 844 CO 0.04 0.09 0.23 -0.69 0.23 0.00 0.00 176.35 176.25 2itz s VAL 845 N -1.69 4.44 -0.05 -1.59 1.01 0.98 -1.51 120.40 121.99 2itz s VAL 845 Ca 0.28 -1.10 -0.26 0.00 0.00 0.00 0.00 61.98 60.90 2itz s VAL 845 Cb -0.10 -3.58 -0.21 0.00 0.00 0.00 0.00 36.38 32.49 2itz s VAL 845 CO 0.20 -0.36 1.14 0.50 0.00 0.00 0.00 175.10 176.57 2itz h LYS 846 N 8.43 0.06 -4.41 2.72 3.64 -1.07 -2.58 116.57 123.36 2itz h LYS 846 Ca -0.24 -0.04 -0.18 0.00 -1.27 0.00 0.00 60.65 58.92 2itz h LYS 846 Cb 1.09 0.01 -0.15 0.00 -0.41 0.00 0.00 32.23 32.77 2itz h LYS 846 CO 0.71 0.67 -0.66 0.95 -2.27 0.00 0.00 179.45 178.86 2itz s THR 847 N -3.68 0.19 0.66 1.00 -4.23 -1.21 -4.21 115.64 104.15 2itz s THR 847 Ca -0.16 -1.89 0.34 0.00 -1.18 0.00 0.00 61.69 58.79 2itz s THR 847 Cb 0.01 -1.91 0.34 0.00 1.34 0.00 0.00 72.50 72.29 2itz s THR 847 CO 0.69 -0.61 2.05 -0.65 -0.54 0.00 0.00 174.62 175.56 2itz h PRO 848 N 2.93 0.00 -0.32 3.99 0.11 -1.90 0.17 132.00 136.98 2itz h PRO 848 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 2itz h PRO 848 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2itz h PRO 848 CO 0.61 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.40 2itz n GLN 849 N -3.00 2.31 -3.54 1.05 0.00 -1.26 -4.88 117.38 108.06 2itz n GLN 849 Ca -0.02 -1.98 -0.25 0.00 0.00 0.00 0.00 57.00 54.75 2itz n GLN 849 Cb 0.30 -1.48 -0.15 0.00 0.00 0.00 0.00 30.24 28.91 2itz n GLN 849 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.06 175.48 2itz s HIS 850 N -1.59 0.11 0.16 2.61 2.46 0.60 -5.02 115.29 114.62 2itz s HIS 850 Ca 0.37 -0.48 0.06 0.00 0.47 0.00 0.00 55.06 55.48 2itz s HIS 850 Cb 0.21 -0.72 -0.04 0.00 -0.13 0.00 0.00 32.58 31.91 2itz s HIS 850 CO 0.30 -0.71 0.03 0.14 -2.47 0.00 0.00 174.74 172.03 2itz s VAL 851 N 2.17 3.94 -0.04 0.89 -7.23 -1.26 -0.45 120.40 118.42 2itz s VAL 851 Ca 0.07 -1.28 -0.04 0.00 -1.81 0.00 0.00 61.98 58.91 2itz s VAL 851 Cb -0.16 -2.97 0.01 0.00 0.56 0.00 0.00 36.38 33.82 2itz s VAL 851 CO -0.25 -0.08 0.12 -0.54 -0.31 0.00 0.00 175.10 174.05 2itz s LYS 852 N -2.89 0.18 0.14 4.82 1.02 -0.57 -4.57 119.74 117.87 2itz s LYS 852 Ca 0.28 0.12 -0.30 0.00 0.02 0.00 0.00 55.97 56.09 2itz s LYS 852 Cb -0.10 0.08 -0.07 0.00 -0.52 0.00 0.00 37.83 37.23 2itz s LYS 852 CO 0.20 -0.03 1.00 0.42 -0.92 0.00 0.00 175.35 176.02 2itz s ILE 853 N -0.07 4.26 0.02 2.17 1.01 0.36 -0.77 121.20 128.17 2itz s ILE 853 Ca -0.01 1.93 0.00 0.00 0.00 0.00 0.00 60.65 62.57 2itz s ILE 853 Cb -0.02 -4.23 -0.00 0.00 0.01 0.00 0.00 42.46 38.22 2itz s ILE 853 CO 0.00 0.32 0.01 1.07 0.00 0.00 0.00 174.94 176.34 2itz n THR 854 N 2.53 0.00 -2.58 2.92 5.66 -0.45 -0.70 114.28 121.67 2itz n THR 854 Ca 0.02 -0.11 -0.04 0.00 -3.05 0.00 0.00 64.05 60.88 2itz n THR 854 Cb 0.48 0.04 0.00 0.00 -1.55 0.00 0.00 70.33 69.30 2itz n THR 854 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 2itz n ASP 855 N -2.08 -6.43 -1.58 1.09 -0.08 -1.26 -4.82 116.55 101.39 2itz n ASP 855 Ca -0.00 0.22 -0.04 0.00 -1.51 0.00 0.00 54.79 53.46 2itz n ASP 855 Cb 0.03 -4.28 0.21 0.00 2.34 0.00 0.00 41.12 39.41 2itz n ASP 855 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 2itz n PHE 856 N -0.84 1.64 -0.32 -0.67 3.72 -1.26 -4.54 117.46 115.19 2itz n PHE 856 Ca 0.05 -0.85 0.26 0.00 -0.05 0.00 0.00 57.45 56.86 2itz n PHE 856 Cb 0.41 -0.51 0.57 0.00 -0.94 0.00 0.00 39.48 39.00 2itz n PHE 856 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 2itz h GLY 857 N 3.41 0.96 -0.46 1.37 0.00 -1.92 -1.95 103.07 104.48 2itz h GLY 857 Ca 0.17 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.35 2itz h GLY 857 CO 0.49 -0.12 0.00 0.54 0.00 0.00 0.00 176.54 177.45 2itz n ARG 858 N -4.54 0.37 -1.74 4.80 1.74 -1.26 -4.84 116.66 111.19 2itz n ARG 858 Ca 0.26 -1.00 -0.41 0.00 -0.77 0.00 0.00 57.85 55.93 2itz n ARG 858 Cb 0.98 -1.11 0.01 0.00 -1.02 0.00 0.00 32.46 31.32 2itz n ARG 858 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2itz n ALA 859 N 0.24 1.82 -2.59 7.54 0.00 -0.74 -4.61 120.51 122.18 2itz n ALA 859 Ca 0.04 0.29 -0.09 0.00 0.00 0.00 0.00 53.44 53.67 2itz n ALA 859 Cb 0.17 -2.35 -0.08 0.00 0.00 0.00 0.00 19.45 17.19 2itz n ALA 859 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2itz s LYS 860 N -2.24 0.73 0.44 0.00 1.02 -0.64 -4.98 119.74 114.08 2itz s LYS 860 Ca 0.59 -0.89 -0.22 0.00 0.02 0.00 0.00 55.97 55.46 2itz s LYS 860 Cb -0.48 0.29 -0.08 0.00 -0.52 0.00 0.00 37.83 37.04 2itz s LYS 860 CO 0.60 -0.21 1.08 -0.51 -0.92 0.00 0.00 175.35 175.38 2itz s LEU 861 N -2.57 4.01 0.25 3.17 1.43 -1.26 0.28 118.68 123.98 2itz s LEU 861 Ca 0.01 2.07 -0.31 0.00 -1.03 0.00 0.00 54.13 54.88 2itz s LEU 861 Cb 0.03 -4.32 -0.13 0.00 0.03 0.00 0.00 46.19 41.80 2itz s LEU 861 CO -0.08 -0.70 1.48 -0.11 0.23 0.00 0.00 176.35 177.17 2itz n LEU 862 N -0.48 3.49 -3.11 1.79 7.94 -1.00 -3.12 117.00 122.52 2itz n LEU 862 Ca 0.07 1.14 -0.03 0.00 -1.11 0.00 0.00 56.01 56.08 2itz n LEU 862 Cb 0.50 -1.48 0.01 0.00 0.53 0.00 0.00 43.42 42.98 2itz n LEU 862 CO 0.44 -0.27 0.29 0.61 -1.11 0.00 0.00 177.39 177.34 2itz n GLY 863 N 2.29 -1.23 0.00 -3.96 0.00 -1.26 -5.05 105.19 95.99 2itz n GLY 863 Ca 0.11 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.62 2itz n GLY 863 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2itz n ALA 864 N -2.02 0.00 0.00 4.61 0.00 -1.18 -5.24 120.51 116.68 2itz n ALA 864 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2itz n ALA 864 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 2itz n ALA 864 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2itz n GLU 865 N 0.00 0.00 -3.15 0.00 4.07 -1.26 -5.14 120.64 115.16 2itz n GLU 865 Ca 0.00 0.00 0.05 0.00 -0.06 0.00 0.00 57.16 57.15 2itz n GLU 865 Cb 0.00 0.00 -0.01 0.00 -0.06 0.00 0.00 31.44 31.37 2itz n GLU 865 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 2itz s VAL 876 N 0.00 -0.63 -0.78 6.31 1.01 -1.26 -5.22 120.40 119.84 2itz s VAL 876 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 61.98 61.74 2itz s VAL 876 Cb 0.00 -0.96 0.05 0.00 0.00 0.00 0.00 36.38 35.47 2itz s VAL 876 CO 0.00 0.00 1.21 -2.16 0.00 0.00 0.00 175.10 174.15 2itz s PRO 877 N 2.91 3.26 0.02 2.72 0.04 -1.26 -4.87 135.00 137.82 2itz s PRO 877 Ca 0.10 -0.67 -0.20 0.00 0.04 0.00 0.00 61.00 60.27 2itz s PRO 877 Cb -0.12 -4.44 -0.18 0.00 0.04 0.00 0.00 34.50 29.80 2itz s PRO 877 CO -0.16 -2.04 1.21 0.82 0.04 0.00 0.00 177.00 176.87 2itz h ILE 878 N 6.12 1.40 0.00 0.56 2.04 -1.96 -3.13 117.51 122.54 2itz h ILE 878 Ca -0.17 -1.73 0.00 0.00 1.00 0.00 0.00 64.86 63.96 2itz h ILE 878 Cb 1.05 2.24 0.00 0.00 -0.74 0.00 0.00 36.82 39.37 2itz h ILE 878 CO 1.26 0.51 0.00 0.11 0.00 0.00 0.00 178.15 180.03 2itz h LYS 879 N -0.05 0.00 -0.02 2.37 1.57 -1.93 -0.40 116.57 118.11 2itz h LYS 879 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2itz h LYS 879 Cb 1.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.32 2itz h LYS 879 CO 0.08 0.00 -0.15 0.91 -0.57 0.00 0.00 179.45 179.72 2itz n TRP 880 N -2.51 0.00 -3.54 -1.35 8.01 -1.19 -5.00 117.44 111.86 2itz n TRP 880 Ca -0.01 0.00 -0.37 0.00 -1.31 0.00 0.00 57.50 55.81 2itz n TRP 880 Cb 0.08 0.00 -0.06 0.00 -2.01 0.00 0.00 31.31 29.32 2itz n TRP 880 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.69 175.04 2itz s MET 881 N -1.83 3.86 0.77 -0.99 -1.94 -0.16 -3.78 119.30 115.22 2itz s MET 881 Ca 0.20 0.33 -0.14 0.00 -1.71 0.00 0.00 55.69 54.37 2itz s MET 881 Cb 0.16 -3.17 0.06 0.00 2.01 0.00 0.00 34.83 33.89 2itz s MET 881 CO 0.33 0.67 1.22 0.00 -0.01 0.00 0.00 175.02 177.23 2itz s ALA 882 N -1.15 1.98 0.08 3.03 0.00 -1.26 -4.86 121.76 119.58 2itz s ALA 882 Ca 0.25 0.91 -0.27 0.00 0.00 0.00 0.00 51.96 52.86 2itz s ALA 882 Cb -0.16 -3.50 -0.17 0.00 0.00 0.00 0.00 23.12 19.30 2itz s ALA 882 CO 0.14 -2.11 1.69 1.25 0.00 0.00 0.00 175.76 176.73 2itz h LEU 883 N -0.56 -0.30 -1.81 0.00 5.85 -1.95 -2.33 115.31 114.21 2itz h LEU 883 Ca -0.47 0.00 0.19 0.00 0.84 0.00 0.00 57.88 58.45 2itz h LEU 883 Cb 1.30 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 42.38 2itz h LEU 883 CO 0.48 -0.21 0.66 -0.33 -0.34 0.00 0.00 178.44 178.70 2itz h GLU 884 N -0.37 0.00 0.09 1.25 3.07 -1.92 0.41 114.58 117.12 2itz h GLU 884 Ca -0.04 0.00 -0.27 0.00 -0.50 0.00 0.00 59.36 58.56 2itz h GLU 884 Cb 0.28 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.20 2itz h GLU 884 CO 0.06 0.00 -1.15 0.77 -1.40 0.00 0.00 179.01 177.29 2itz h SER 885 N 0.00 0.57 0.82 1.42 0.02 -1.31 -0.62 113.55 114.45 2itz h SER 885 Ca 0.32 -0.54 -0.19 0.00 -0.84 0.00 0.00 61.79 60.54 2itz h SER 885 Cb 1.63 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 63.97 2itz h SER 885 CO -0.00 1.38 -0.88 0.40 -1.14 0.00 0.00 176.83 176.59 2itz h ILE 886 N 0.17 1.60 0.00 3.27 2.04 0.02 -1.57 117.51 123.04 2itz h ILE 886 Ca -0.13 -2.92 0.00 0.00 1.00 0.00 0.00 64.86 62.80 2itz h ILE 886 Cb 1.84 2.59 0.00 0.00 -0.74 0.00 0.00 36.82 40.51 2itz h ILE 886 CO 0.20 0.84 -1.58 0.18 0.00 0.00 0.00 178.15 177.79 2itz n LEU 887 N -3.53 0.35 0.00 1.44 4.77 -0.17 -4.63 117.00 115.23 2itz n LEU 887 Ca -0.01 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 2itz n LEU 887 Cb 0.83 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.89 2itz n LEU 887 CO 0.46 0.02 0.11 1.41 -1.33 0.00 0.00 177.39 178.06 2itz n HIS 888 N -2.15 0.00 -3.38 -1.77 8.25 -0.33 -4.99 115.22 110.85 2itz n HIS 888 Ca -0.01 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.24 2itz n HIS 888 Cb 0.51 0.05 -0.02 0.00 1.12 0.00 0.00 29.99 31.64 2itz n HIS 888 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2itz n ARG 889 N 0.00 -2.50 -2.91 -0.41 1.74 -0.59 -4.91 116.66 107.08 2itz n ARG 889 Ca 0.00 0.25 -0.40 0.00 -0.77 0.00 0.00 57.85 56.93 2itz n ARG 889 Cb 0.42 -4.86 -0.04 0.00 -1.02 0.00 0.00 32.46 26.96 2itz n ARG 889 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2itz s ILE 890 N -2.73 4.84 -0.05 0.55 1.01 -0.65 -4.90 121.20 119.28 2itz s ILE 890 Ca 0.38 1.72 0.02 0.00 0.00 0.00 0.00 60.65 62.76 2itz s ILE 890 Cb -0.21 -4.16 0.02 0.00 0.01 0.00 0.00 42.46 38.11 2itz s ILE 890 CO 0.47 0.28 -0.07 -0.31 0.00 0.00 0.00 174.94 175.31 2itz s TYR 891 N 0.46 0.91 0.20 3.97 2.02 -1.26 -2.94 117.35 120.71 2itz s TYR 891 Ca 0.42 -0.27 -0.07 0.00 -0.37 0.00 0.00 57.07 56.78 2itz s TYR 891 Cb -0.20 -0.74 -0.02 0.00 -0.40 0.00 0.00 41.96 40.60 2itz s TYR 891 CO 0.23 -0.19 0.27 -0.08 -1.57 0.00 0.00 175.55 174.21 2itz s THR 892 N 0.75 0.03 0.32 -0.71 -1.32 -1.26 -4.76 115.64 108.69 2itz s THR 892 Ca -0.11 -1.66 0.10 0.00 -1.21 0.00 0.00 61.69 58.81 2itz s THR 892 Cb -0.14 -2.21 0.32 0.00 -1.51 0.00 0.00 72.50 68.96 2itz s THR 892 CO 0.01 -0.12 1.73 0.45 -2.21 0.00 0.00 174.62 174.49 2itz h HIS 893 N 2.51 1.00 0.00 9.09 3.86 -1.99 -0.04 115.15 129.58 2itz h HIS 893 Ca -0.32 0.04 -0.04 0.00 -1.16 0.00 0.00 60.37 58.89 2itz h HIS 893 Cb 1.24 -0.29 -0.01 0.00 1.06 0.00 0.00 27.41 29.42 2itz h HIS 893 CO 0.38 0.06 -0.20 1.96 0.86 0.00 0.00 177.93 180.99 2itz h GLN 894 N 0.57 0.00 0.00 2.45 1.08 -1.93 -0.43 115.11 116.85 2itz h GLN 894 Ca 0.65 0.00 -0.11 0.00 -1.45 0.00 0.00 58.65 57.73 2itz h GLN 894 Cb 1.25 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.66 2itz h GLN 894 CO -0.47 0.20 -0.53 0.66 -0.95 0.00 0.00 178.83 177.74 2itz h SER 895 N 0.00 0.00 -0.49 1.46 4.64 -1.39 -2.83 113.55 114.94 2itz h SER 895 Ca -0.00 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.23 2itz h SER 895 Cb 0.43 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.50 2itz h SER 895 CO 0.03 0.53 -0.03 0.44 -0.87 0.00 0.00 176.83 176.93 2itz h ASP 896 N 0.00 0.91 -0.89 4.97 3.32 -0.58 -2.68 116.42 121.47 2itz h ASP 896 Ca -0.01 -0.25 0.05 0.00 0.02 0.00 0.00 57.03 56.85 2itz h ASP 896 Cb 1.27 -0.24 -0.06 0.00 0.22 0.00 0.00 39.33 40.52 2itz h ASP 896 CO 0.07 0.98 0.57 0.58 -1.72 0.00 0.00 179.24 179.72 2itz h VAL 897 N 0.85 1.08 -0.76 -1.35 2.07 -1.09 0.37 116.25 117.42 2itz h VAL 897 Ca 0.15 -0.36 0.10 0.00 0.82 0.00 0.00 66.70 67.41 2itz h VAL 897 Cb 0.54 -0.06 -0.07 0.00 -1.52 0.00 0.00 31.29 30.18 2itz h VAL 897 CO 0.03 0.19 0.40 -0.25 0.02 0.00 0.00 177.57 177.96 2itz h TRP 898 N 1.05 0.71 0.00 1.57 2.91 -1.27 0.15 115.95 121.07 2itz h TRP 898 Ca 0.38 0.03 -0.19 0.00 1.13 0.00 0.00 58.89 60.24 2itz h TRP 898 Cb 0.12 -0.20 -0.02 0.00 -0.51 0.00 0.00 29.16 28.55 2itz h TRP 898 CO -0.02 0.25 -0.85 0.77 -1.03 0.00 0.00 178.44 177.56 2itz h SER 899 N 0.66 0.16 -0.38 2.65 0.02 -0.82 -2.28 113.55 113.56 2itz h SER 899 Ca 0.38 -0.13 0.07 0.00 -0.84 0.00 0.00 61.79 61.27 2itz h SER 899 Cb 0.41 -0.05 -0.07 0.00 0.14 0.00 0.00 62.40 62.83 2itz h SER 899 CO -0.28 0.93 -0.05 0.22 -1.14 0.00 0.00 176.83 176.51 2itz h TYR 900 N 0.07 -0.12 -0.72 3.45 5.03 0.73 0.29 116.97 125.70 2itz h TYR 900 Ca -0.03 0.03 0.15 0.00 2.58 0.00 0.00 58.73 61.46 2itz h TYR 900 Cb 1.47 0.11 -0.13 0.00 1.55 0.00 0.00 36.73 39.73 2itz h TYR 900 CO 0.02 -0.13 -0.11 0.78 -1.32 0.00 0.00 178.16 177.40 2itz h GLY 901 N 0.04 0.63 1.30 1.82 0.00 -0.17 0.75 103.07 107.44 2itz h GLY 901 Ca 0.19 0.19 -0.15 0.00 0.00 0.00 0.00 47.33 47.55 2itz h GLY 901 CO -0.36 -0.28 -0.43 -2.08 0.00 0.00 0.00 176.54 173.39 2itz h VAL 902 N 0.03 1.29 0.01 4.60 2.07 -1.05 -1.78 116.25 121.43 2itz h VAL 902 Ca 0.36 -1.62 -0.00 0.00 0.82 0.00 0.00 66.70 66.27 2itz h VAL 902 Cb 0.59 1.52 0.00 0.00 -1.52 0.00 0.00 31.29 31.88 2itz h VAL 902 CO -0.70 0.52 -0.01 0.74 0.02 0.00 0.00 177.57 178.14 2itz h THR 903 N 0.61 1.01 -0.62 2.57 2.02 0.12 -0.39 112.91 118.22 2itz h THR 903 Ca 0.04 -0.06 0.10 0.00 0.77 0.00 0.00 66.41 67.26 2itz h THR 903 Cb 0.99 1.05 -0.07 0.00 -1.74 0.00 0.00 68.15 68.38 2itz h THR 903 CO 0.09 0.02 0.23 0.58 0.37 0.00 0.00 175.52 176.81 2itz h VAL 904 N -0.05 0.75 -0.88 3.16 2.07 -0.71 -0.75 116.25 119.85 2itz h VAL 904 Ca -0.00 -0.14 0.01 0.00 0.82 0.00 0.00 66.70 67.39 2itz h VAL 904 Cb 0.04 0.32 -0.04 0.00 -1.52 0.00 0.00 31.29 30.08 2itz h VAL 904 CO 0.00 0.07 0.57 -0.25 0.02 0.00 0.00 177.57 177.99 2itz h TRP 905 N 0.40 1.11 -0.77 1.57 7.01 -0.83 0.45 115.95 124.89 2itz h TRP 905 Ca 0.32 0.02 0.08 0.00 2.11 0.00 0.00 58.89 61.41 2itz h TRP 905 Cb 0.40 -0.37 -0.06 0.00 -2.10 0.00 0.00 29.16 27.03 2itz h TRP 905 CO -0.17 0.71 0.44 0.93 -2.79 0.00 0.00 178.44 177.56 2itz h GLU 906 N 1.19 0.76 -0.25 2.65 5.08 0.40 -1.78 114.58 122.62 2itz h GLU 906 Ca 0.32 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.57 2itz h GLU 906 Cb -0.13 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 28.95 2itz h GLU 906 CO -0.07 0.50 -0.08 -0.07 -1.00 0.00 0.00 179.01 178.29 2itz h LEU 907 N 0.78 0.51 -1.90 1.33 3.38 -0.54 0.28 115.31 119.16 2itz h LEU 907 Ca 0.36 -0.38 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 2itz h LEU 907 Cb 0.26 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 2itz h LEU 907 CO -0.21 0.78 -0.01 0.24 0.09 0.00 0.00 178.44 179.33 2itz h MET 908 N 0.24 0.00 -0.67 1.13 2.86 -0.70 0.17 114.93 117.96 2itz h MET 908 Ca 0.06 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 2itz h MET 908 Cb 0.57 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.23 2itz h MET 908 CO 0.03 0.01 0.00 0.25 1.06 0.00 0.00 176.91 178.26 2itz n THR 909 N -3.11 1.01 -2.30 2.22 -2.24 -0.70 -4.54 114.28 104.63 2itz n THR 909 Ca -0.00 -1.00 -0.19 0.00 -2.27 0.00 0.00 64.05 60.58 2itz n THR 909 Cb 0.24 0.49 -0.02 0.00 -2.10 0.00 0.00 70.33 68.95 2itz n THR 909 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 2itz n PHE 910 N 1.47 -0.98 0.00 4.78 3.72 0.59 -3.45 117.46 123.58 2itz n PHE 910 Ca 0.23 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.63 2itz n PHE 910 Cb 0.60 -3.61 0.00 0.00 -0.94 0.00 0.00 39.48 35.52 2itz n PHE 910 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2itz n GLY 911 N -0.88 1.27 3.85 1.37 0.00 0.94 -3.01 105.19 108.72 2itz n GLY 911 Ca -0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.50 2itz n GLY 911 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2itz s SER 912 N -2.00 4.93 -0.23 1.61 0.01 -1.22 -4.96 113.70 111.84 2itz s SER 912 Ca 0.00 1.19 -0.12 0.00 1.31 0.00 0.00 55.95 58.34 2itz s SER 912 Cb 0.00 -1.95 -0.05 0.00 0.21 0.00 0.00 66.02 64.24 2itz s SER 912 CO 0.00 -1.68 0.22 -0.54 0.41 0.00 0.00 173.24 171.65 2itz s LYS 913 N -5.27 4.10 0.10 12.44 1.02 -1.26 -4.81 119.74 126.06 2itz s LYS 913 Ca 0.60 -0.15 -0.31 0.00 0.02 0.00 0.00 55.97 56.12 2itz s LYS 913 Cb -0.13 -3.53 -0.10 0.00 -0.52 0.00 0.00 37.83 33.55 2itz s LYS 913 CO 0.53 0.05 1.89 -1.25 -0.92 0.00 0.00 175.35 175.64 2itz s PRO 914 N 1.09 4.13 -1.37 -1.68 0.04 -1.26 -1.99 135.00 133.97 2itz s PRO 914 Ca 0.10 2.62 -0.06 0.00 0.04 0.00 0.00 61.00 63.70 2itz s PRO 914 Cb -0.14 -3.77 0.03 0.00 0.04 0.00 0.00 34.50 30.66 2itz s PRO 914 CO 0.05 -0.89 0.96 0.66 0.04 0.00 0.00 177.00 177.83 2itz n TYR 915 N 6.26 -2.32 -1.49 0.56 4.01 -1.26 -4.88 117.16 118.03 2itz n TYR 915 Ca 0.19 0.92 -0.55 0.00 -0.16 0.00 0.00 57.90 58.30 2itz n TYR 915 Cb 0.39 -4.56 -0.06 0.00 -0.31 0.00 0.00 39.34 34.79 2itz n TYR 915 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 2itz n ASP 916 N -3.00 0.00 0.00 7.72 4.64 -0.84 -1.66 116.55 123.41 2itz n ASP 916 Ca -0.12 1.15 0.00 0.00 -1.38 0.00 0.00 54.79 54.44 2itz n ASP 916 Cb 0.60 -0.98 0.00 0.00 -1.04 0.00 0.00 41.12 39.70 2itz n ASP 916 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 2itz n GLY 917 N 1.74 2.18 3.71 0.27 0.00 -1.26 -5.00 105.19 106.82 2itz n GLY 917 Ca 0.19 -0.36 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 2itz n GLY 917 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2itz s ILE 918 N 0.00 2.23 0.35 -0.61 1.01 -0.66 -4.97 121.20 118.55 2itz s ILE 918 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 60.65 60.40 2itz s ILE 918 Cb 0.00 -3.00 -0.10 0.00 0.01 0.00 0.00 42.46 39.37 2itz s ILE 918 CO 0.00 0.00 0.98 -2.16 0.00 0.00 0.00 174.94 173.76 2itz s PRO 919 N 1.93 4.45 0.63 2.79 0.04 -1.26 -4.94 135.00 138.64 2itz s PRO 919 Ca 0.78 1.37 0.26 0.00 0.04 0.00 0.00 61.00 63.46 2itz s PRO 919 Cb -0.48 -2.70 1.36 0.00 0.04 0.00 0.00 34.50 32.72 2itz s PRO 919 CO 0.34 0.15 1.78 0.00 0.04 0.00 0.00 177.00 179.31 2itz h ALA 920 N 2.92 1.86 0.00 8.56 0.00 -1.96 -0.32 119.26 130.33 2itz h ALA 920 Ca -0.47 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 2itz h ALA 920 Cb 1.20 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 2itz h ALA 920 CO 0.64 -0.66 -0.02 0.66 0.00 0.00 0.00 179.25 179.87 2itz h SER 921 N 0.00 0.00 1.09 0.00 4.64 -2.03 -3.13 113.55 114.12 2itz h SER 921 Ca 0.12 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.42 2itz h SER 921 Cb 1.17 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.26 2itz h SER 921 CO -0.00 0.02 -0.92 -0.33 -0.87 0.00 0.00 176.83 174.73 2itz h GLU 922 N 0.00 0.00 -0.47 4.77 5.08 -1.44 -3.41 114.58 119.11 2itz h GLU 922 Ca -0.00 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.45 2itz h GLU 922 Cb 0.76 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.91 2itz h GLU 922 CO 0.00 0.04 -0.31 0.82 -1.00 0.00 0.00 179.01 178.56 2itz h ILE 923 N 0.00 0.23 0.00 3.13 1.08 -1.63 0.47 117.51 120.79 2itz h ILE 923 Ca -0.02 0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 64.42 2itz h ILE 923 Cb 1.07 0.23 -0.01 0.00 -3.07 0.00 0.00 36.82 35.04 2itz h ILE 923 CO 0.01 0.00 -0.17 0.77 -0.69 0.00 0.00 178.15 178.07 2itz h SER 924 N -0.21 0.00 0.84 1.72 4.64 -1.81 0.88 113.55 119.62 2itz h SER 924 Ca 0.20 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.48 2itz h SER 924 Cb 0.53 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.63 2itz h SER 924 CO -0.59 0.17 -0.40 -1.28 -0.87 0.00 0.00 176.83 173.86 2itz h SER 925 N 0.00 -0.96 -0.44 4.97 0.87 -1.22 -1.82 113.55 114.95 2itz h SER 925 Ca -0.00 0.03 0.05 0.00 -1.23 0.00 0.00 61.79 60.65 2itz h SER 925 Cb 0.34 0.25 -0.09 0.00 -0.44 0.00 0.00 62.40 62.46 2itz h SER 925 CO 0.02 -0.60 -0.54 0.40 -0.53 0.00 0.00 176.83 175.58 2itz h ILE 926 N -1.30 0.01 0.00 2.23 2.04 -0.99 -0.77 117.51 118.72 2itz h ILE 926 Ca -0.12 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.74 2itz h ILE 926 Cb 0.87 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.96 2itz h ILE 926 CO 0.19 0.00 0.13 -0.07 0.00 0.00 0.00 178.15 178.40 2itz h LEU 927 N -0.37 0.00 0.12 1.44 3.38 -0.81 -0.31 115.31 118.77 2itz h LEU 927 Ca 0.09 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.72 2itz h LEU 927 Cb 0.59 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 2itz h LEU 927 CO -0.62 0.00 -1.77 -0.33 0.09 0.00 0.00 178.44 175.81 2itz h GLU 928 N 0.00 0.26 0.00 1.13 5.08 -0.26 -3.28 114.58 117.51 2itz h GLU 928 Ca 0.00 -0.44 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 2itz h GLU 928 Cb 0.25 0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.67 2itz h GLU 928 CO 0.00 1.11 0.07 1.63 -1.00 0.00 0.00 179.01 180.82 2itz n LYS 929 N -3.44 0.06 -0.11 2.33 5.02 -0.13 -4.80 118.16 117.09 2itz n LYS 929 Ca -0.24 0.54 0.00 0.00 -2.02 0.00 0.00 58.31 56.59 2itz n LYS 929 Cb 1.05 -1.78 0.00 0.00 -0.02 0.00 0.00 35.03 34.28 2itz n LYS 929 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2itz n GLY 930 N -1.37 0.74 3.76 0.72 0.00 -1.16 -5.08 105.19 102.80 2itz n GLY 930 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 2itz n GLY 930 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2itz s GLU 931 N -0.89 4.55 0.24 1.61 2.12 -1.20 -5.04 118.70 120.09 2itz s GLU 931 Ca 0.00 1.90 0.01 0.00 0.36 0.00 0.00 54.97 57.24 2itz s GLU 931 Cb 0.00 -3.13 -0.04 0.00 0.26 0.00 0.00 34.13 31.22 2itz s GLU 931 CO 0.00 0.10 0.16 1.03 -0.54 0.00 0.00 175.26 176.01 2itz s ARG 932 N -1.57 1.37 0.52 4.30 1.81 -1.26 -4.38 118.95 119.74 2itz s ARG 932 Ca 0.46 -1.75 -0.23 0.00 -1.72 0.00 0.00 55.73 52.50 2itz s ARG 932 Cb -0.34 0.22 -0.06 0.00 -0.45 0.00 0.00 34.95 34.32 2itz s ARG 932 CO 0.44 -0.45 1.39 -0.51 -0.68 0.00 0.00 175.30 175.49 2itz s LEU 933 N -3.24 3.92 0.92 2.53 1.43 -1.26 -4.98 118.68 118.01 2itz s LEU 933 Ca 0.39 2.83 -0.12 0.00 -1.03 0.00 0.00 54.13 56.20 2itz s LEU 933 Cb 0.06 -4.18 0.14 0.00 0.03 0.00 0.00 46.19 42.24 2itz s LEU 933 CO 0.16 -1.49 1.13 -2.16 0.23 0.00 0.00 176.35 174.22 2itz s PRO 934 N -2.79 1.06 -0.20 1.29 0.04 -1.26 -4.98 135.00 128.16 2itz s PRO 934 Ca 0.69 0.32 -0.29 0.00 0.04 0.00 0.00 61.00 61.76 2itz s PRO 934 Cb -0.42 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.30 2itz s PRO 934 CO 0.51 -2.26 1.08 -1.14 0.04 0.00 0.00 177.00 175.23 2itz s GLN 935 N -5.24 4.27 0.41 4.56 0.74 -1.26 -5.02 119.66 118.13 2itz s GLN 935 Ca 0.64 1.42 -0.26 0.00 0.05 0.00 0.00 55.36 57.21 2itz s GLN 935 Cb -0.15 -3.65 -0.09 0.00 1.10 0.00 0.00 33.01 30.22 2itz s GLN 935 CO 0.54 -0.61 1.38 -2.14 -0.55 0.00 0.00 175.29 173.91 2itz s PRO 936 N 3.14 3.90 0.27 1.67 0.02 -1.26 -4.94 135.00 137.79 2itz s PRO 936 Ca 0.47 2.34 -0.03 0.00 0.02 0.00 0.00 61.00 63.79 2itz s PRO 936 Cb -0.17 -2.77 0.57 0.00 0.02 0.00 0.00 34.50 32.15 2itz s PRO 936 CO 0.09 -0.62 1.63 -1.35 -0.33 0.00 0.00 177.00 176.42 2itz h PRO 937 N 2.63 0.12 0.00 5.54 0.11 -1.95 -0.06 132.00 138.38 2itz h PRO 937 Ca -0.50 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2itz h PRO 937 Cb 1.25 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2itz h PRO 937 CO 0.62 0.08 0.00 0.44 -0.21 0.00 0.00 178.00 178.93 2itz n ILE 938 N -5.33 0.14 -3.37 4.15 -5.35 -1.26 -4.81 119.36 103.52 2itz n ILE 938 Ca 0.17 0.03 -0.39 0.00 -0.27 0.00 0.00 62.75 62.30 2itz n ILE 938 Cb 0.58 -0.66 -0.08 0.00 -1.74 0.00 0.00 39.64 37.74 2itz n ILE 938 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2itz s THR 940 N 1.83 2.53 0.47 0.00 -4.23 -0.83 -4.81 115.64 110.59 2itz s THR 940 Ca 0.17 0.17 0.35 0.00 -1.18 0.00 0.00 61.69 61.20 2itz s THR 940 Cb -0.15 -2.61 0.38 0.00 1.34 0.00 0.00 72.50 71.45 2itz s THR 940 CO 0.09 -0.22 2.19 -0.29 -0.54 0.00 0.00 174.62 175.84 2itz h ILE 941 N -1.67 0.24 0.02 2.99 2.10 -1.97 -1.60 117.51 117.62 2itz h ILE 941 Ca -0.50 -0.27 -0.00 0.00 1.08 0.00 0.00 64.86 65.16 2itz h ILE 941 Cb 1.29 1.21 0.00 0.00 -1.09 0.00 0.00 36.82 38.23 2itz h ILE 941 CO 0.54 0.04 -0.01 0.44 -1.08 0.00 0.00 178.15 178.08 2itz h ASP 942 N 0.00 -0.02 -0.41 2.19 5.19 -1.90 0.18 116.42 121.64 2itz h ASP 942 Ca -0.00 -0.41 -0.03 0.00 -0.62 0.00 0.00 57.03 55.97 2itz h ASP 942 Cb 0.21 0.01 -0.02 0.00 0.18 0.00 0.00 39.33 39.71 2itz h ASP 942 CO 0.01 0.41 0.15 0.58 -3.12 0.00 0.00 179.24 177.26 2itz h VAL 943 N -0.46 1.21 -0.24 -1.35 2.07 -1.77 -2.91 116.25 112.80 2itz h VAL 943 Ca -0.00 -0.66 -0.09 0.00 0.82 0.00 0.00 66.70 66.77 2itz h VAL 943 Cb 0.44 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 2itz h VAL 943 CO 0.00 0.24 -0.24 0.22 0.02 0.00 0.00 177.57 177.81 2itz h TYR 944 N 0.52 0.50 -0.01 1.57 -0.00 -1.15 -2.03 116.97 116.36 2itz h TYR 944 Ca 0.14 -0.10 -0.05 0.00 -0.00 0.00 0.00 58.73 58.72 2itz h TYR 944 Cb 0.22 -0.12 -0.01 0.00 -0.00 0.00 0.00 36.73 36.82 2itz h TYR 944 CO 0.01 0.65 -0.21 1.98 -0.00 0.00 0.00 178.16 180.59 2itz h MET 945 N 0.40 0.02 -0.21 1.82 4.05 -0.57 0.11 114.93 120.55 2itz h MET 945 Ca 0.06 -0.01 -0.10 0.00 -0.28 0.00 0.00 59.70 59.38 2itz h MET 945 Cb 0.64 -0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.43 2itz h MET 945 CO 0.05 0.24 -0.24 0.82 0.23 0.00 0.00 176.91 178.00 2itz h ILE 946 N 0.02 1.33 -0.50 1.77 2.04 -1.18 -2.26 117.51 118.73 2itz h ILE 946 Ca 0.00 -1.42 0.09 0.00 1.00 0.00 0.00 64.86 64.53 2itz h ILE 946 Cb 0.39 1.76 -0.08 0.00 -0.74 0.00 0.00 36.82 38.15 2itz h ILE 946 CO 0.03 0.44 0.04 0.24 0.00 0.00 0.00 178.15 178.90 2itz h MET 947 N 0.22 0.16 -0.81 2.37 2.86 -0.94 -2.69 114.93 116.10 2itz h MET 947 Ca 0.03 -0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.63 2itz h MET 947 Cb 0.80 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 32.39 2itz h MET 947 CO 0.06 0.10 0.37 0.28 1.06 0.00 0.00 176.91 178.79 2itz h VAL 948 N 0.16 1.26 -0.16 -2.22 2.07 -0.92 -2.28 116.25 114.16 2itz h VAL 948 Ca 0.25 -0.74 -0.04 0.00 0.82 0.00 0.00 66.70 66.98 2itz h VAL 948 Cb 0.36 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 2itz h VAL 948 CO -0.38 0.31 -0.10 0.11 0.02 0.00 0.00 177.57 177.53 2itz h LYS 949 N 1.16 0.24 0.00 1.57 1.57 -1.09 0.21 116.57 120.23 2itz h LYS 949 Ca 0.28 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 2itz h LYS 949 Cb 0.14 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.42 2itz h LYS 949 CO -0.03 0.36 0.02 0.00 -0.57 0.00 0.00 179.45 179.23 2itz n TRP 951 N -2.72 0.90 -2.14 0.00 8.01 0.06 -3.81 117.44 117.73 2itz n TRP 951 Ca -0.02 -1.00 -0.40 0.00 -1.31 0.00 0.00 57.50 54.77 2itz n TRP 951 Cb 0.07 -0.33 -0.01 0.00 -2.01 0.00 0.00 31.31 29.03 2itz n TRP 951 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.69 175.04 2itz s MET 952 N -2.90 4.15 0.15 -0.99 -1.94 -1.14 -4.95 119.30 111.67 2itz s MET 952 Ca 0.42 2.10 -0.19 0.00 -1.71 0.00 0.00 55.69 56.31 2itz s MET 952 Cb 0.35 -2.87 0.03 0.00 2.01 0.00 0.00 34.83 34.34 2itz s MET 952 CO 0.07 -0.32 1.69 0.82 -0.01 0.00 0.00 175.02 177.27 2itz h ILE 953 N 2.67 0.71 -1.37 2.53 1.08 -1.94 -3.36 117.51 117.82 2itz h ILE 953 Ca -0.49 -0.00 -0.39 0.00 -0.39 0.00 0.00 64.86 63.58 2itz h ILE 953 Cb 1.24 0.71 -0.04 0.00 -3.07 0.00 0.00 36.82 35.65 2itz h ILE 953 CO 0.64 0.00 1.06 -0.62 -0.69 0.00 0.00 178.15 178.53 2itz s ASP 954 N -5.21 5.15 0.48 1.72 2.15 -1.26 -4.86 116.67 114.84 2itz s ASP 954 Ca -0.14 -0.09 0.29 0.00 0.43 0.00 0.00 52.55 53.04 2itz s ASP 954 Cb 0.12 -2.54 1.36 0.00 -0.30 0.00 0.00 42.92 41.56 2itz s ASP 954 CO 0.70 -2.60 1.79 0.00 -0.17 0.00 0.00 175.17 174.89 2itz h ALA 955 N 13.43 2.73 0.00 3.66 0.00 -1.96 0.52 119.26 137.65 2itz h ALA 955 Ca -0.10 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2itz h ALA 955 Cb 1.09 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2itz h ALA 955 CO 1.21 -1.11 0.00 -0.25 0.00 0.00 0.00 179.25 179.10 2itz n ASP 956 N -4.39 0.64 -0.69 0.00 10.43 -1.26 -2.26 116.55 119.02 2itz n ASP 956 Ca 0.26 0.65 0.10 0.00 2.57 0.00 0.00 54.79 58.37 2itz n ASP 956 Cb 1.09 -0.79 0.31 0.00 1.84 0.00 0.00 41.12 43.57 2itz n ASP 956 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 2itz n SER 957 N -2.20 2.07 -4.89 -2.24 7.64 0.18 -4.91 113.62 109.27 2itz n SER 957 Ca 0.02 -1.81 -0.29 0.00 1.01 0.00 0.00 58.87 57.81 2itz n SER 957 Cb 0.24 -0.16 -0.01 0.00 -1.01 0.00 0.00 64.21 63.27 2itz n SER 957 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2itz s ARG 958 N -1.69 3.63 0.70 1.43 3.00 -0.96 -4.92 118.95 120.14 2itz s ARG 958 Ca 0.33 0.39 -0.16 0.00 0.00 0.00 0.00 55.73 56.28 2itz s ARG 958 Cb 0.18 -2.32 0.02 0.00 0.00 0.00 0.00 34.95 32.83 2itz s ARG 958 CO 0.26 -0.23 1.21 -2.14 0.00 0.00 0.00 175.30 174.40 2itz s PRO 959 N -4.56 2.32 0.30 3.54 0.02 -1.26 -5.03 135.00 130.34 2itz s PRO 959 Ca 0.50 1.78 -0.10 0.00 0.02 0.00 0.00 61.00 63.20 2itz s PRO 959 Cb -0.10 -1.85 -0.07 0.00 0.02 0.00 0.00 34.50 32.49 2itz s PRO 959 CO 0.42 -1.70 0.64 0.15 -0.33 0.00 0.00 177.00 176.19 2itz s LYS 960 N -3.79 3.81 0.44 5.54 -0.14 -1.26 -4.94 119.74 119.39 2itz s LYS 960 Ca 0.75 0.35 0.14 0.00 -1.36 0.00 0.00 55.97 55.85 2itz s LYS 960 Cb -0.30 -2.54 1.04 0.00 -1.68 0.00 0.00 37.83 34.35 2itz s LYS 960 CO 0.43 0.18 1.97 0.74 -0.76 0.00 0.00 175.35 177.91 2itz h PHE 961 N 2.02 0.43 -0.62 3.18 0.04 -1.95 0.12 116.94 120.16 2itz h PHE 961 Ca -0.47 0.01 -0.05 0.00 2.80 0.00 0.00 57.97 60.26 2itz h PHE 961 Cb 1.18 -0.14 -0.03 0.00 2.20 0.00 0.00 35.95 39.16 2itz h PHE 961 CO 0.61 0.20 0.18 0.07 -0.60 0.00 0.00 178.31 178.77 2itz h ARG 962 N 0.40 0.95 -0.51 1.51 0.11 -1.94 -1.30 114.38 113.60 2itz h ARG 962 Ca 0.29 -0.19 -0.10 0.00 0.10 0.00 0.00 59.98 60.08 2itz h ARG 962 Cb 0.60 -0.14 -0.02 0.00 1.11 0.00 0.00 29.97 31.52 2itz h ARG 962 CO -0.08 0.82 -0.06 0.93 0.10 0.00 0.00 179.97 181.69 2itz h GLU 963 N 0.92 0.94 -0.45 0.08 5.08 -1.23 -2.78 114.58 117.12 2itz h GLU 963 Ca 0.20 -0.33 0.01 0.00 -1.00 0.00 0.00 59.36 58.24 2itz h GLU 963 Cb 0.28 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 2itz h GLU 963 CO -0.01 0.98 0.30 -0.07 -1.00 0.00 0.00 179.01 179.22 2itz h LEU 964 N 0.80 0.51 -0.09 1.33 3.38 -0.58 -0.25 115.31 120.41 2itz h LEU 964 Ca 0.14 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 2itz h LEU 964 Cb 0.60 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 2itz h LEU 964 CO 0.04 0.37 -0.03 0.40 0.09 0.00 0.00 178.44 179.31 2itz h ILE 965 N 0.60 1.30 0.40 1.22 2.04 -1.05 -1.65 117.51 120.38 2itz h ILE 965 Ca 0.17 -0.99 -0.02 0.00 1.00 0.00 0.00 64.86 65.02 2itz h ILE 965 Cb -0.06 1.77 0.00 0.00 -0.74 0.00 0.00 36.82 37.80 2itz h ILE 965 CO -0.04 0.28 -0.19 0.40 0.00 0.00 0.00 178.15 178.60 2itz h ILE 966 N -0.16 0.61 -0.66 -0.67 2.04 -1.17 -0.80 117.51 116.71 2itz h ILE 966 Ca 0.02 -0.07 0.07 0.00 1.00 0.00 0.00 64.86 65.88 2itz h ILE 966 Cb 0.45 0.65 -0.06 0.00 -0.74 0.00 0.00 36.82 37.12 2itz h ILE 966 CO 0.01 0.01 0.33 -0.33 0.00 0.00 0.00 178.15 178.18 2itz h GLU 967 N -0.58 0.58 -0.02 2.37 4.39 -1.11 0.58 114.58 120.80 2itz h GLU 967 Ca -0.06 -0.04 -0.16 0.00 0.34 0.00 0.00 59.36 59.45 2itz h GLU 967 Cb 0.44 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.94 2itz h GLU 967 CO 0.09 0.39 -0.73 0.74 -1.16 0.00 0.00 179.01 178.33 2itz h PHE 968 N 0.60 0.16 0.39 4.33 0.04 -1.21 -1.82 116.94 119.42 2itz h PHE 968 Ca 0.31 -0.08 -0.02 0.00 2.80 0.00 0.00 57.97 60.98 2itz h PHE 968 Cb 0.27 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.40 2itz h PHE 968 CO -0.10 0.80 -0.19 1.03 -0.60 0.00 0.00 178.31 179.26 2itz h SER 969 N 0.07 -0.44 -0.09 2.17 0.87 -0.71 0.19 113.55 115.62 2itz h SER 969 Ca -0.02 -0.03 0.04 0.00 -1.23 0.00 0.00 61.79 60.56 2itz h SER 969 Cb 1.29 0.11 -0.06 0.00 -0.44 0.00 0.00 62.40 63.31 2itz h SER 969 CO 0.10 -0.26 -0.38 0.11 -0.53 0.00 0.00 176.83 175.87 2itz h LYS 970 N -0.59 -0.47 -0.79 2.24 1.57 -0.70 -1.17 116.57 116.67 2itz h LYS 970 Ca -0.05 0.03 0.18 0.00 -1.87 0.00 0.00 60.65 58.94 2itz h LYS 970 Cb 0.44 0.11 -0.05 0.00 0.08 0.00 0.00 32.23 32.81 2itz h LYS 970 CO 0.09 -0.31 0.53 0.52 -0.57 0.00 0.00 179.45 179.71 2itz h MET 971 N -0.49 0.31 0.00 3.15 2.86 -1.11 -0.09 114.93 119.56 2itz h MET 971 Ca 0.07 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 2itz h MET 971 Cb 0.61 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.20 2itz h MET 971 CO -0.35 0.20 0.00 0.00 1.06 0.00 0.00 176.91 177.82 2itz n ALA 972 N -2.55 2.35 0.07 6.32 0.00 0.66 -2.57 120.51 124.78 2itz n ALA 972 Ca 0.16 -0.13 -0.06 0.00 0.00 0.00 0.00 53.44 53.41 2itz n ALA 972 Cb 0.63 -1.43 -0.09 0.00 0.00 0.00 0.00 19.45 18.56 2itz n ALA 972 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2itz h ARG 973 N 0.00 0.00 -2.26 0.00 3.08 -0.84 -3.37 114.38 110.99 2itz h ARG 973 Ca 0.00 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.46 2itz h ARG 973 Cb 0.23 0.00 -0.40 0.00 0.08 0.00 0.00 29.97 29.88 2itz h ARG 973 CO 0.00 0.95 -0.86 -3.47 -1.07 0.00 0.00 179.97 175.52 2itz n ASP 974 N -3.37 1.55 0.28 7.04 4.64 -1.06 -5.00 116.55 120.63 2itz n ASP 974 Ca 0.00 -2.94 0.15 0.00 -1.38 0.00 0.00 54.79 50.62 2itz n ASP 974 Cb 0.91 -0.65 0.82 0.00 -1.04 0.00 0.00 41.12 41.16 2itz n ASP 974 CO 0.00 0.00 0.00 1.55 -0.82 0.00 0.00 177.20 177.93 2itz h PRO 975 N 4.51 0.00 0.00 -0.67 0.13 -1.71 -2.32 132.00 131.94 2itz h PRO 975 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 2itz h PRO 975 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 2itz h PRO 975 CO 0.60 0.07 0.00 1.04 -0.23 0.00 0.00 178.00 179.48 2itz n GLN 976 N -3.47 0.22 0.05 0.86 3.00 -1.26 -2.21 117.38 114.57 2itz n GLN 976 Ca -0.02 0.19 0.13 0.00 -0.01 0.00 0.00 57.00 57.30 2itz n GLN 976 Cb 0.21 -1.76 0.47 0.00 0.00 0.00 0.00 30.24 29.16 2itz n GLN 976 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.06 174.93 2itz n ARG 977 N -2.14 0.13 0.00 -1.09 0.63 -0.87 -4.36 116.66 108.95 2itz n ARG 977 Ca 0.06 0.09 0.00 0.00 -0.92 0.00 0.00 57.85 57.08 2itz n ARG 977 Cb 0.41 -1.64 0.00 0.00 0.45 0.00 0.00 32.46 31.68 2itz n ARG 977 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 2itz n TYR 978 N -1.85 0.00 -4.98 -0.14 4.02 -1.18 -4.96 117.16 108.07 2itz n TYR 978 Ca 0.06 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.65 2itz n TYR 978 Cb 0.38 0.00 -0.17 0.00 -0.02 0.00 0.00 39.34 39.53 2itz n TYR 978 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 2itz s LEU 979 N -3.81 1.95 -0.52 7.72 1.43 -0.94 -1.97 118.68 122.55 2itz s LEU 979 Ca 0.00 -0.48 -0.14 0.00 -1.03 0.00 0.00 54.13 52.47 2itz s LEU 979 Cb 0.00 -1.23 0.12 0.00 0.03 0.00 0.00 46.19 45.11 2itz s LEU 979 CO 0.00 0.11 0.45 -0.69 0.23 0.00 0.00 176.35 176.46 2itz s VAL 980 N 0.48 5.00 -0.18 -1.59 1.01 0.32 -4.47 120.40 120.98 2itz s VAL 980 Ca -0.17 -1.50 0.01 0.00 0.00 0.00 0.00 61.98 60.32 2itz s VAL 980 Cb -0.17 -4.19 0.02 0.00 0.00 0.00 0.00 36.38 32.04 2itz s VAL 980 CO 0.07 -0.81 -0.20 -0.63 0.00 0.00 0.00 175.10 173.53 2itz s ILE 981 N 1.56 2.08 -0.03 2.22 1.01 -1.26 -4.55 121.20 122.22 2itz s ILE 981 Ca 0.04 -0.94 -0.31 0.00 0.00 0.00 0.00 60.65 59.44 2itz s ILE 981 Cb -0.28 -1.87 -0.09 0.00 0.01 0.00 0.00 42.46 40.22 2itz s ILE 981 CO 0.03 0.53 1.99 0.00 0.00 0.00 0.00 174.94 177.49 2itz n GLN 982 N 4.62 2.57 -1.93 2.79 6.02 -1.26 -1.55 117.38 128.64 2itz n GLN 982 Ca -0.21 0.92 0.00 0.00 -0.01 0.00 0.00 57.00 57.70 2itz n GLN 982 Cb 0.50 -2.94 0.00 0.00 1.02 0.00 0.00 30.24 28.82 2itz n GLN 982 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2itz n GLY 983 N 4.69 0.73 0.00 1.08 0.00 -1.26 -5.03 105.19 105.41 2itz n GLY 983 Ca 0.22 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.53 2itz n GLY 983 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2itz n ASP 984 N 1.58 0.00 -0.25 1.61 4.64 -0.59 -4.08 116.55 119.46 2itz n ASP 984 Ca 0.00 0.43 0.01 0.00 -1.38 0.00 0.00 54.79 53.86 2itz n ASP 984 Cb 0.44 -0.05 0.06 0.00 -1.04 0.00 0.00 41.12 40.53 2itz n ASP 984 CO 0.00 0.00 0.00 -1.84 -0.82 0.00 0.00 177.20 174.54 2itz n GLU 985 N -0.64 -0.12 -0.97 -0.67 0.00 -1.26 -2.51 120.64 114.48 2itz n GLU 985 Ca 0.00 1.05 -0.23 0.00 0.00 0.00 0.00 57.16 57.98 2itz n GLU 985 Cb 0.00 -1.56 -0.07 0.00 0.00 0.00 0.00 31.44 29.81 2itz n GLU 985 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 2itz n ARG 986 N -5.04 2.48 -3.80 3.44 0.63 -1.26 -4.81 116.66 108.31 2itz n ARG 986 Ca 0.09 -1.47 -0.29 0.00 -0.92 0.00 0.00 57.85 55.25 2itz n ARG 986 Cb 0.30 -2.36 -0.15 0.00 0.45 0.00 0.00 32.46 30.69 2itz n ARG 986 CO 0.00 0.00 0.00 -1.64 -2.51 0.00 0.00 177.63 173.48 2itz s MET 987 N 2.18 0.93 -0.15 -0.14 -1.94 -1.04 -5.11 119.30 114.03 2itz s MET 987 Ca 0.56 -0.96 0.00 0.00 -1.71 0.00 0.00 55.69 53.58 2itz s MET 987 Cb 0.19 -2.22 -0.00 0.00 2.01 0.00 0.00 34.83 34.80 2itz s MET 987 CO -0.03 -0.82 -0.15 -1.01 -0.01 0.00 0.00 175.02 173.00 2itz s HIS 988 N 1.58 2.79 0.05 -0.03 0.09 -1.26 -4.85 115.29 113.66 2itz s HIS 988 Ca 0.04 -1.00 0.04 0.00 -0.00 0.00 0.00 55.06 54.14 2itz s HIS 988 Cb -0.18 -1.89 -0.04 0.00 -0.00 0.00 0.00 32.58 30.47 2itz s HIS 988 CO -0.16 -0.45 -0.00 -0.51 -0.00 0.00 0.00 174.74 173.61 2itz s LEU 989 N 0.80 3.46 0.00 0.89 1.43 -1.26 -5.05 118.68 118.95 2itz s LEU 989 Ca -0.05 -0.11 0.00 0.00 -1.03 0.00 0.00 54.13 52.93 2itz s LEU 989 Cb -0.15 -2.11 0.00 0.00 0.03 0.00 0.00 46.19 43.96 2itz s LEU 989 CO 0.00 0.22 0.00 -2.65 0.23 0.00 0.00 176.35 174.15 2itz n PRO 990 N 0.93 2.79 0.00 1.29 -0.02 -1.26 -5.01 135.00 133.73 2itz n PRO 990 Ca -0.12 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.36 2itz n PRO 990 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.00 2itz n PRO 990 CO 0.00 0.00 0.00 -0.12 1.98 0.00 0.00 175.50 177.36 2itz n MET 1002N 0.00 0.00 0.00 -0.52 0.00 -1.26 -4.69 117.12 110.65 2itz n MET 1002Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 2itz n MET 1002Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.22 2itz n MET 1002CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 175.97 175.57 2itz n ASP 1003N 0.00 0.00 -3.90 6.12 5.68 -1.26 -5.17 116.55 118.02 2itz n ASP 1003Ca 0.00 0.00 -0.11 0.00 -0.50 0.00 0.00 54.79 54.18 2itz n ASP 1003Cb 0.00 0.00 -0.12 0.00 -1.14 0.00 0.00 41.12 39.86 2itz n ASP 1003CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 2itz s GLU 1004N 0.00 0.19 0.27 0.11 0.41 -1.26 -5.03 118.70 113.39 2itz s GLU 1004Ca 0.00 -0.24 -0.04 0.00 -0.41 0.00 0.00 54.97 54.28 2itz s GLU 1004Cb 0.00 0.07 0.35 0.00 -1.78 0.00 0.00 34.13 32.78 2itz s GLU 1004CO 0.00 -0.03 1.94 0.93 -0.49 0.00 0.00 175.26 177.61 2itz h GLU 1005N 5.36 1.21 -5.05 1.61 4.39 -2.09 -3.35 114.58 116.66 2itz h GLU 1005Ca -0.28 -0.07 -0.67 0.00 0.34 0.00 0.00 59.36 58.68 2itz h GLU 1005Cb 1.21 -0.27 -0.17 0.00 -0.10 0.00 0.00 28.75 29.41 2itz h GLU 1005CO 0.45 0.80 0.37 0.34 -1.16 0.00 0.00 179.01 179.80 2itz s ASP 1006N -6.16 6.22 0.00 1.42 3.68 -1.26 -4.65 116.67 115.92 2itz s ASP 1006Ca -0.12 -1.29 0.00 0.00 2.13 0.00 0.00 52.55 53.27 2itz s ASP 1006Cb 0.18 -2.36 0.00 0.00 -1.45 0.00 0.00 42.92 39.29 2itz s ASP 1006CO 0.81 -1.26 0.41 1.15 0.13 0.00 0.00 175.17 176.41 2itz n MET 1007N 6.96 0.24 -0.27 4.34 3.85 -1.26 -4.77 117.12 126.21 2itz n MET 1007Ca -0.04 -0.50 0.08 0.00 -1.00 0.00 0.00 57.70 56.24 2itz n MET 1007Cb 0.44 -0.72 0.22 0.00 -1.05 0.00 0.00 33.22 32.12 2itz n MET 1007CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 175.97 175.53 2itz h ASP 1008N 0.00 0.22 -0.35 3.17 5.19 -1.93 -2.97 116.42 119.75 2itz h ASP 1008Ca 0.00 0.13 0.00 0.00 -0.62 0.00 0.00 57.03 56.54 2itz h ASP 1008Cb 0.48 0.13 0.00 0.00 0.18 0.00 0.00 39.33 40.12 2itz h ASP 1008CO 0.00 0.03 0.00 0.47 -3.12 0.00 0.00 179.24 176.62 2itz n ASP 1009N -5.06 3.85 -4.70 6.45 10.43 -1.26 -4.97 116.55 121.30 2itz n ASP 1009Ca 0.17 -2.66 -0.42 0.00 2.57 0.00 0.00 54.79 54.45 2itz n ASP 1009Cb 0.50 -0.47 -0.03 0.00 1.84 0.00 0.00 41.12 42.96 2itz n ASP 1009CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 2itz s VAL 1010N -2.20 4.32 -0.07 2.53 1.01 -1.12 -0.52 120.40 124.34 2itz s VAL 1010Ca 0.39 1.65 0.02 0.00 0.00 0.00 0.00 61.98 64.04 2itz s VAL 1010Cb 0.28 -4.06 0.02 0.00 0.00 0.00 0.00 36.38 32.62 2itz s VAL 1010CO 0.13 0.08 -0.11 -0.69 0.00 0.00 0.00 175.10 174.50 2itz s VAL 1011N 1.51 1.11 0.65 2.92 1.01 -0.62 -4.91 120.40 122.07 2itz s VAL 1011Ca 0.56 -0.44 -0.18 0.00 0.00 0.00 0.00 61.98 61.91 2itz s VAL 1011Cb -0.25 -1.04 -0.01 0.00 0.00 0.00 0.00 36.38 35.08 2itz s VAL 1011CO 0.26 0.36 1.29 -0.62 0.00 0.00 0.00 175.10 176.39 2itz s ASP 1012N 0.85 4.59 0.43 3.32 2.15 -1.26 -4.29 116.67 122.47 2itz s ASP 1012Ca -0.11 2.62 0.10 0.00 0.43 0.00 0.00 52.55 55.59 2itz s ASP 1012Cb -0.15 -2.62 0.95 0.00 -0.30 0.00 0.00 42.92 40.80 2itz s ASP 1012CO 0.01 -2.01 2.04 0.00 -0.17 0.00 0.00 175.17 175.04 2itz h ALA 1013N 0.53 1.73 -0.30 3.66 0.00 -1.91 -2.28 119.26 120.68 2itz h ALA 1013Ca -0.51 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.33 2itz h ALA 1013Cb 1.34 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 2itz h ALA 1013CO 0.53 0.22 0.20 -0.44 0.00 0.00 0.00 179.25 179.76 2itz h ASP 1014N 0.29 0.32 -0.02 0.00 3.32 -2.00 0.82 116.42 119.16 2itz h ASP 1014Ca 0.07 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.12 2itz h ASP 1014Cb 0.10 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.57 2itz h ASP 1014CO -0.01 0.23 -0.01 -0.62 -1.72 0.00 0.00 179.24 177.11 2itz n GLU 1015N -4.49 1.93 -3.29 3.56 4.71 -0.91 -4.75 120.64 117.40 2itz n GLU 1015Ca 0.02 -1.37 -0.46 0.00 -0.01 0.00 0.00 57.16 55.33 2itz n GLU 1015Cb 0.09 -1.47 -0.04 0.00 -1.01 0.00 0.00 31.44 29.01 2itz n GLU 1015CO 0.00 0.00 0.00 -0.47 0.09 0.00 0.00 177.13 176.75 2itz s TYR 1016N -2.01 3.34 0.16 -0.32 6.14 0.28 -4.98 117.35 119.96 2itz s TYR 1016Ca 0.33 -1.41 0.06 0.00 0.64 0.00 0.00 57.07 56.69 2itz s TYR 1016Cb 0.21 -3.83 -0.04 0.00 0.42 0.00 0.00 41.96 38.72 2itz s TYR 1016CO 0.33 -1.04 0.05 -0.51 0.64 0.00 0.00 175.55 175.02 2itz s LEU 1017N 1.40 3.52 -0.02 6.97 1.43 -1.26 -4.93 118.68 125.78 2itz s LEU 1017Ca 0.07 -0.27 0.03 0.00 -1.03 0.00 0.00 54.13 52.93 2itz s LEU 1017Cb -0.25 -2.16 -0.00 0.00 0.03 0.00 0.00 46.19 43.81 2itz s LEU 1017CO 0.01 0.09 -0.11 0.27 0.23 0.00 0.00 176.35 176.83 2itz s ILE 1018N -1.70 0.95 0.27 -0.59 -4.36 -1.26 -5.08 121.20 109.43 2itz s ILE 1018Ca 0.29 -0.47 -0.03 0.00 -0.26 0.00 0.00 60.65 60.17 2itz s ILE 1018Cb -0.10 -0.82 0.27 0.00 1.25 0.00 0.00 42.46 43.06 2itz s ILE 1018CO 0.20 0.28 1.93 1.55 0.24 0.00 0.00 174.94 179.14 2itz h PRO 1019N 6.18 1.19 0.00 0.37 0.13 -2.07 -3.54 132.00 134.26 2itz h PRO 1019Ca -0.33 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 2itz h PRO 1019Cb 1.17 -0.27 0.00 0.00 0.13 0.00 0.00 31.00 32.03 2itz h PRO 1019CO 0.49 0.79 0.00 0.94 -0.23 0.00 0.00 178.00 179.98