#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x36 s TYR 757 N 0.00 0.35 -0.20 1.12 1.51 -1.26 -5.07 117.35 113.80 2x36 s TYR 757 Ca 0.00 -0.74 -0.03 0.00 -1.01 0.00 0.00 57.07 55.29 2x36 s TYR 757 Cb 0.00 -0.26 -0.11 0.00 -0.11 0.00 0.00 41.96 41.48 2x36 s TYR 757 CO 0.00 -0.32 -0.20 -3.47 -1.11 0.00 0.00 175.55 170.45 2x36 n ASP 758 N 0.77 2.11 -3.87 2.29 4.64 -1.26 -4.94 116.55 116.30 2x36 n ASP 758 Ca -0.19 0.03 -0.29 0.00 -1.38 0.00 0.00 54.79 52.97 2x36 n ASP 758 Cb 0.58 -0.41 -0.16 0.00 -1.04 0.00 0.00 41.12 40.09 2x36 n ASP 758 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 2x36 s VAL 759 N -2.38 1.08 0.15 5.18 0.11 -1.26 -4.87 120.40 118.41 2x36 s VAL 759 Ca -0.27 -0.77 -0.31 0.00 -2.93 0.00 0.00 61.98 57.71 2x36 s VAL 759 Cb 0.08 -1.36 -0.08 0.00 -1.53 0.00 0.00 36.38 33.49 2x36 s VAL 759 CO 0.41 -0.02 1.34 0.42 -3.33 0.00 0.00 175.10 173.92 2x36 s THR 760 N 1.62 3.33 0.99 5.04 -4.23 -1.26 -5.03 115.64 116.10 2x36 s THR 760 Ca -0.02 1.01 -0.15 0.00 -1.18 0.00 0.00 61.69 61.35 2x36 s THR 760 Cb -0.17 -3.65 0.19 0.00 1.34 0.00 0.00 72.50 70.22 2x36 s THR 760 CO -0.07 0.11 1.21 -2.16 -0.54 0.00 0.00 174.62 173.17 2x36 s PRO 761 N 0.57 0.46 0.44 3.99 0.04 -1.26 -4.56 135.00 134.67 2x36 s PRO 761 Ca 0.61 -0.09 -0.26 0.00 0.04 0.00 0.00 61.00 61.30 2x36 s PRO 761 Cb -0.36 -1.79 -0.09 0.00 0.04 0.00 0.00 34.50 32.30 2x36 s PRO 761 CO 0.34 -2.59 1.40 -2.14 0.04 0.00 0.00 177.00 174.05 2x36 s PRO 762 N -5.58 3.78 -0.69 0.56 0.02 -1.26 -2.86 135.00 128.96 2x36 s PRO 762 Ca 0.69 2.37 0.00 0.00 0.02 0.00 0.00 61.00 64.08 2x36 s PRO 762 Cb -0.09 -2.70 0.00 0.00 0.02 0.00 0.00 34.50 31.73 2x36 s PRO 762 CO 0.53 -0.73 0.00 0.41 -0.33 0.00 0.00 177.00 176.89 2x36 n GLY 763 N 0.59 0.81 3.01 0.52 0.00 -1.26 -4.79 105.19 104.07 2x36 n GLY 763 Ca 0.04 -0.74 -0.28 0.00 0.00 0.00 0.00 46.02 45.05 2x36 n GLY 763 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2x36 s VAL 764 N -2.25 1.36 -0.03 1.61 1.01 -1.14 0.18 120.40 121.14 2x36 s VAL 764 Ca 0.00 -0.54 0.02 0.00 0.00 0.00 0.00 61.98 61.47 2x36 s VAL 764 Cb 0.00 -1.28 0.01 0.00 0.00 0.00 0.00 36.38 35.11 2x36 s VAL 764 CO 0.00 0.42 -0.09 -0.69 0.00 0.00 0.00 175.10 174.74 2x36 s VAL 765 N 1.25 0.78 -0.31 2.92 1.01 -0.47 -4.66 120.40 120.91 2x36 s VAL 765 Ca -0.02 -0.34 -0.29 0.00 0.00 0.00 0.00 61.98 61.34 2x36 s VAL 765 Cb -0.14 -0.71 0.00 0.00 0.00 0.00 0.00 36.38 35.54 2x36 s VAL 765 CO -0.05 0.25 1.29 -0.32 0.00 0.00 0.00 175.10 176.27 2x36 s MET 766 N 0.34 3.90 0.49 2.72 1.75 -1.26 -1.29 119.30 125.95 2x36 s MET 766 Ca -0.05 1.19 0.07 0.00 -1.25 0.00 0.00 55.69 55.65 2x36 s MET 766 Cb -0.10 -3.88 0.02 0.00 2.84 0.00 0.00 34.83 33.71 2x36 s MET 766 CO 0.01 -1.14 0.44 0.20 -0.65 0.00 0.00 175.02 173.88 2x36 s GLY 767 N 2.78 2.18 -0.02 2.11 0.00 0.08 -2.78 107.32 111.69 2x36 s GLY 767 Ca 0.56 -1.66 0.05 0.00 0.00 0.00 0.00 44.72 43.66 2x36 s GLY 767 CO 0.23 -1.81 -0.17 1.08 0.00 0.00 0.00 173.10 172.44 2x36 s LEU 768 N -4.27 2.01 0.12 0.66 2.01 -1.13 -2.11 118.68 115.97 2x36 s LEU 768 Ca 0.44 -0.31 0.08 0.00 0.01 0.00 0.00 54.13 54.35 2x36 s LEU 768 Cb -0.03 -0.88 -0.04 0.00 0.01 0.00 0.00 46.19 45.25 2x36 s LEU 768 CO 0.26 0.20 -0.20 0.00 1.01 0.00 0.00 176.35 177.62 2x36 s ALA 769 N -0.31 1.84 -0.41 4.21 0.00 -0.35 -4.85 121.76 121.90 2x36 s ALA 769 Ca 0.05 -1.30 -0.09 0.00 0.00 0.00 0.00 51.96 50.62 2x36 s ALA 769 Cb -0.07 -0.23 0.07 0.00 0.00 0.00 0.00 23.12 22.89 2x36 s ALA 769 CO -0.00 0.33 0.24 -0.46 0.00 0.00 0.00 175.76 175.87 2x36 s TRP 770 N -1.36 3.33 0.59 0.00 -0.00 -1.26 -1.55 118.94 118.70 2x36 s TRP 770 Ca 0.08 -1.52 0.07 0.00 -0.00 0.00 0.00 56.10 54.73 2x36 s TRP 770 Cb -0.09 -2.88 0.09 0.00 -0.00 0.00 0.00 33.47 30.59 2x36 s TRP 770 CO 0.05 -0.83 0.82 0.95 -0.00 0.00 0.00 176.95 177.93 2x36 s THR 771 N 1.42 2.22 0.29 5.86 -4.23 0.15 -1.86 115.64 119.50 2x36 s THR 771 Ca 0.03 -0.91 0.08 0.00 -1.18 0.00 0.00 61.69 59.71 2x36 s THR 771 Cb -0.22 -2.32 0.02 0.00 1.34 0.00 0.00 72.50 71.32 2x36 s THR 771 CO 0.02 0.00 1.68 0.00 -0.54 0.00 0.00 174.62 175.78 2x36 h ALA 772 N 0.06 1.09 0.08 3.99 0.00 -1.96 -3.26 119.26 119.25 2x36 h ALA 772 Ca -0.32 -0.45 -0.36 0.00 0.00 0.00 0.00 54.91 53.78 2x36 h ALA 772 Cb 1.28 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.95 2x36 h ALA 772 CO 0.41 0.62 -2.10 -1.33 0.00 0.00 0.00 179.25 176.86 2x36 n MET 773 N -3.97 0.72 0.00 0.00 2.81 -1.26 -5.10 117.12 110.31 2x36 n MET 773 Ca -0.02 0.23 0.00 0.00 -1.81 0.00 0.00 57.70 56.10 2x36 n MET 773 Cb 0.51 -1.67 0.00 0.00 -0.71 0.00 0.00 33.22 31.36 2x36 n MET 773 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2x36 n GLY 774 N 2.00 1.47 3.85 3.03 0.00 -1.23 -5.16 105.19 109.15 2x36 n GLY 774 Ca -0.34 -0.32 -0.36 0.00 0.00 0.00 0.00 46.02 45.00 2x36 n GLY 774 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2x36 s GLY 775 N -0.06 2.43 0.26 -0.02 0.00 -1.26 0.34 107.32 109.02 2x36 s GLY 775 Ca 0.00 -0.25 0.03 0.00 0.00 0.00 0.00 44.72 44.50 2x36 s GLY 775 CO 0.00 0.05 0.02 -0.56 0.00 0.00 0.00 173.10 172.61 2x36 s SER 776 N -1.44 1.93 -0.28 1.64 0.01 -0.59 -4.73 113.70 110.24 2x36 s SER 776 Ca 0.30 -1.28 -0.01 0.00 1.31 0.00 0.00 55.95 56.27 2x36 s SER 776 Cb -0.16 -0.00 0.05 0.00 0.21 0.00 0.00 66.02 66.12 2x36 s SER 776 CO 0.16 -0.55 -0.03 0.28 0.41 0.00 0.00 173.24 173.51 2x36 s THR 777 N -3.41 2.83 -0.13 1.44 -1.32 -1.26 -1.21 115.64 112.58 2x36 s THR 777 Ca 0.32 -1.34 0.00 0.00 -1.21 0.00 0.00 61.69 59.46 2x36 s THR 777 Cb 0.07 -2.59 -0.01 0.00 -1.51 0.00 0.00 72.50 68.46 2x36 s THR 777 CO 0.11 -0.02 -0.14 -1.48 -2.21 0.00 0.00 174.62 170.88 2x36 s LEU 778 N 1.25 2.67 -0.47 9.08 0.05 -0.90 -4.81 118.68 125.54 2x36 s LEU 778 Ca -0.05 -0.35 -0.25 0.00 0.05 0.00 0.00 54.13 53.53 2x36 s LEU 778 Cb -0.19 -1.60 0.03 0.00 -2.05 0.00 0.00 46.19 42.38 2x36 s LEU 778 CO -0.02 0.15 0.91 -0.36 -0.55 0.00 0.00 176.35 176.48 2x36 s PHE 779 N 0.41 2.91 -0.03 3.48 0.08 -1.26 -0.74 117.98 122.84 2x36 s PHE 779 Ca -0.11 0.31 -0.30 0.00 0.12 0.00 0.00 56.93 56.95 2x36 s PHE 779 Cb -0.16 -3.95 -0.04 0.00 -0.57 0.00 0.00 43.02 38.30 2x36 s PHE 779 CO 0.05 -1.12 1.19 0.08 -0.10 0.00 0.00 175.22 175.32 2x36 s VAL 780 N 3.73 4.23 -0.01 -0.44 1.01 -0.41 -4.34 120.40 124.17 2x36 s VAL 780 Ca 0.35 1.57 0.06 0.00 0.00 0.00 0.00 61.98 63.97 2x36 s VAL 780 Cb -0.11 -4.01 -0.03 0.00 0.00 0.00 0.00 36.38 32.24 2x36 s VAL 780 CO 0.25 0.03 -0.19 -1.61 0.00 0.00 0.00 175.10 173.58 2x36 s GLU 781 N 1.90 2.23 -0.07 2.72 2.02 -0.24 -1.37 118.70 125.89 2x36 s GLU 781 Ca 0.56 -0.87 0.03 0.00 0.02 0.00 0.00 54.97 54.71 2x36 s GLU 781 Cb -0.26 -2.21 0.01 0.00 0.10 0.00 0.00 34.13 31.78 2x36 s GLU 781 CO 0.24 0.58 -0.15 0.95 0.02 0.00 0.00 175.26 176.90 2x36 s THR 782 N -0.76 1.30 0.16 3.63 -4.23 0.13 -0.34 115.64 115.52 2x36 s THR 782 Ca 0.12 -0.59 -0.08 0.00 -1.18 0.00 0.00 61.69 59.97 2x36 s THR 782 Cb -0.10 -1.16 -0.01 0.00 1.34 0.00 0.00 72.50 72.56 2x36 s THR 782 CO 0.02 0.39 0.25 -0.94 -0.54 0.00 0.00 174.62 173.79 2x36 s SER 783 N 0.51 0.08 0.25 3.99 1.04 -0.47 -4.55 113.70 114.56 2x36 s SER 783 Ca -0.13 -0.91 -0.06 0.00 0.48 0.00 0.00 55.95 55.33 2x36 s SER 783 Cb -0.15 0.41 -0.06 0.00 0.10 0.00 0.00 66.02 66.32 2x36 s SER 783 CO 0.04 -0.86 0.53 -0.76 0.98 0.00 0.00 173.24 173.16 2x36 s LEU 784 N -2.97 4.12 0.08 2.42 1.43 -1.26 0.20 118.68 122.70 2x36 s LEU 784 Ca 0.18 0.74 0.05 0.00 -1.03 0.00 0.00 54.13 54.07 2x36 s LEU 784 Cb 0.04 -3.53 -0.04 0.00 0.03 0.00 0.00 46.19 42.69 2x36 s LEU 784 CO -0.00 -0.13 -0.04 -0.83 0.23 0.00 0.00 176.35 175.58 2x36 s GLY 798 N -2.86 1.87 0.14 -3.19 0.00 -1.23 -4.74 107.32 97.32 2x36 s GLY 798 Ca 0.44 -1.14 0.00 0.00 0.00 0.00 0.00 44.72 44.03 2x36 s GLY 798 CO 0.27 -1.10 0.02 -1.35 0.00 0.00 0.00 173.10 170.94 2x36 s SER 799 N -2.16 0.78 -0.04 1.64 1.04 -0.56 -4.94 113.70 109.46 2x36 s SER 799 Ca 0.23 -1.17 0.03 0.00 0.48 0.00 0.00 55.95 55.52 2x36 s SER 799 Cb -0.11 0.20 0.00 0.00 0.10 0.00 0.00 66.02 66.21 2x36 s SER 799 CO 0.16 -0.63 -0.11 -0.22 0.98 0.00 0.00 173.24 173.42 2x36 s LEU 800 N -3.09 1.75 -0.05 2.42 0.20 -1.26 -1.71 118.68 116.94 2x36 s LEU 800 Ca 0.22 -0.23 0.04 0.00 0.69 0.00 0.00 54.13 54.85 2x36 s LEU 800 Cb 0.07 -0.65 -0.00 0.00 -0.43 0.00 0.00 46.19 45.17 2x36 s LEU 800 CO 0.01 0.07 -0.16 -0.70 -0.29 0.00 0.00 176.35 175.28 2x36 s GLU 801 N 0.29 1.75 -0.07 1.98 2.12 -0.49 -4.99 118.70 119.29 2x36 s GLU 801 Ca -0.06 -0.57 0.01 0.00 0.36 0.00 0.00 54.97 54.72 2x36 s GLU 801 Cb -0.11 -1.51 0.02 0.00 0.26 0.00 0.00 34.13 32.80 2x36 s GLU 801 CO 0.01 0.20 -0.10 0.54 -0.54 0.00 0.00 175.26 175.38 2x36 s VAL 802 N 0.14 1.00 0.16 3.70 0.11 -1.26 0.12 120.40 124.37 2x36 s VAL 802 Ca -0.06 -0.36 0.06 0.00 -2.93 0.00 0.00 61.98 58.69 2x36 s VAL 802 Cb -0.12 -0.95 -0.04 0.00 -1.53 0.00 0.00 36.38 33.73 2x36 s VAL 802 CO 0.02 0.34 -0.12 0.42 -3.33 0.00 0.00 175.10 172.43 2x36 s THR 803 N 0.97 1.37 0.00 5.04 -4.23 0.57 -4.15 115.64 115.21 2x36 s THR 803 Ca -0.09 -2.04 0.00 0.00 -1.18 0.00 0.00 61.69 58.37 2x36 s THR 803 Cb -0.15 -1.85 0.00 0.00 1.34 0.00 0.00 72.50 71.84 2x36 s THR 803 CO 0.00 -0.64 0.00 0.61 -0.54 0.00 0.00 174.62 174.05 2x36 n GLY 804 N -0.12 2.03 3.94 3.99 0.00 -1.26 -1.95 105.19 111.82 2x36 n GLY 804 Ca -0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.63 2x36 n GLY 804 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2x36 n GLN 805 N -2.00 -2.45 -0.49 1.61 10.64 -1.26 -4.70 117.38 118.73 2x36 n GLN 805 Ca 0.00 0.36 -0.03 0.00 -1.83 0.00 0.00 57.00 55.50 2x36 n GLN 805 Cb 0.00 -4.22 0.02 0.00 -0.86 0.00 0.00 30.24 25.18 2x36 n GLN 805 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 2x36 n LEU 806 N -4.42 0.00 -4.99 2.61 7.99 -1.26 -5.04 117.00 111.89 2x36 n LEU 806 Ca -0.25 -0.22 -0.21 0.00 -0.01 0.00 0.00 56.01 55.31 2x36 n LEU 806 Cb 0.66 -0.11 0.06 0.00 -0.11 0.00 0.00 43.42 43.92 2x36 n LEU 806 CO 0.74 -0.60 0.41 -0.83 -1.51 0.00 0.00 177.39 175.60 2x36 s GLY 807 N -3.11 1.80 0.63 -0.72 0.00 -1.26 -4.85 107.32 99.81 2x36 s GLY 807 Ca 0.09 -1.59 0.28 0.00 0.00 0.00 0.00 44.72 43.51 2x36 s GLY 807 CO 0.06 -1.20 1.88 0.83 0.00 0.00 0.00 173.10 174.68 2x36 h GLU 808 N -0.07 0.00 -0.39 2.90 4.39 -1.99 0.29 114.58 119.71 2x36 h GLU 808 Ca -0.39 0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.34 2x36 h GLU 808 Cb 1.28 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.91 2x36 h GLU 808 CO 0.46 0.00 0.22 0.28 -1.16 0.00 0.00 179.01 178.81 2x36 h VAL 809 N 0.00 1.02 -0.52 3.13 2.07 -2.00 -0.02 116.25 119.93 2x36 h VAL 809 Ca 0.10 -0.15 -0.05 0.00 0.82 0.00 0.00 66.70 67.42 2x36 h VAL 809 Cb 0.95 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 2x36 h VAL 809 CO -0.00 0.08 0.13 0.24 0.02 0.00 0.00 177.57 178.04 2x36 h MET 810 N 0.45 0.84 -0.89 1.57 2.86 -0.75 -2.55 114.93 116.45 2x36 h MET 810 Ca 0.16 -0.20 0.06 0.00 -2.06 0.00 0.00 59.70 57.66 2x36 h MET 810 Cb 0.03 -0.11 -0.06 0.00 0.06 0.00 0.00 31.60 31.51 2x36 h MET 810 CO -0.08 0.79 0.56 0.87 1.06 0.00 0.00 176.91 180.11 2x36 h LYS 811 N 0.73 0.99 -0.03 1.72 1.57 -1.25 0.18 116.57 120.49 2x36 h LYS 811 Ca 0.16 -0.06 -0.21 0.00 -1.87 0.00 0.00 60.65 58.67 2x36 h LYS 811 Cb 0.33 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.42 2x36 h LYS 811 CO 0.00 0.66 -0.88 0.93 -0.57 0.00 0.00 179.45 179.59 2x36 h GLU 812 N 1.02 0.42 -0.69 3.15 5.08 -1.06 0.19 114.58 122.70 2x36 h GLU 812 Ca 0.38 -0.42 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 2x36 h GLU 812 Cb 0.16 0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 2x36 h GLU 812 CO -0.17 1.08 0.35 1.03 -1.00 0.00 0.00 179.01 180.29 2x36 h SER 813 N 0.25 0.89 -0.70 1.42 0.87 -0.89 -0.39 113.55 115.00 2x36 h SER 813 Ca -0.07 -0.12 -0.05 0.00 -1.23 0.00 0.00 61.79 60.33 2x36 h SER 813 Cb 1.50 -0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 63.20 2x36 h SER 813 CO 0.15 0.75 0.25 0.00 -0.53 0.00 0.00 176.83 177.46 2x36 h ALA 814 N 1.17 0.92 -0.63 6.23 0.00 -0.48 0.15 119.26 126.61 2x36 h ALA 814 Ca 0.24 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2x36 h ALA 814 Cb 0.09 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 2x36 h ALA 814 CO -0.03 0.56 0.37 0.00 0.00 0.00 0.00 179.25 180.15 2x36 h ARG 815 N 1.02 0.87 -0.57 0.00 3.08 0.04 0.84 114.38 119.66 2x36 h ARG 815 Ca 0.23 -0.09 -0.11 0.00 0.07 0.00 0.00 59.98 60.09 2x36 h ARG 815 Cb 0.25 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 2x36 h ARG 815 CO -0.01 0.63 -0.07 0.82 -1.07 0.00 0.00 179.97 180.26 2x36 h ILE 816 N 0.86 1.27 -0.20 2.04 2.04 -0.92 0.13 117.51 122.73 2x36 h ILE 816 Ca 0.23 -1.23 -0.00 0.00 1.00 0.00 0.00 64.86 64.85 2x36 h ILE 816 Cb -0.00 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 2x36 h ILE 816 CO -0.04 0.44 0.12 0.00 0.00 0.00 0.00 178.15 178.67 2x36 h ALA 817 N 0.96 0.25 -0.58 1.87 0.00 -0.35 -0.63 119.26 120.79 2x36 h ALA 817 Ca 0.15 -0.04 0.12 0.00 0.00 0.00 0.00 54.91 55.14 2x36 h ALA 817 Cb 0.64 -0.08 -0.10 0.00 0.00 0.00 0.00 17.79 18.26 2x36 h ALA 817 CO 0.04 -0.24 0.01 -0.92 0.00 0.00 0.00 179.25 178.15 2x36 h TYR 818 N 0.24 -0.02 -0.08 0.00 -0.00 0.11 0.21 116.97 117.43 2x36 h TYR 818 Ca 0.07 0.04 -0.21 0.00 -0.00 0.00 0.00 58.73 58.64 2x36 h TYR 818 Cb 0.02 0.10 0.00 0.00 -0.00 0.00 0.00 36.73 36.85 2x36 h TYR 818 CO -0.05 -0.14 -0.80 1.15 -0.00 0.00 0.00 178.16 178.33 2x36 h THR 819 N 0.13 1.35 -0.80 1.81 2.02 -0.66 -0.85 112.91 115.91 2x36 h THR 819 Ca 0.30 -2.15 -0.03 0.00 0.77 0.00 0.00 66.41 65.30 2x36 h THR 819 Cb 0.47 2.14 -0.04 0.00 -1.74 0.00 0.00 68.15 68.98 2x36 h THR 819 CO -0.48 0.66 0.38 0.15 0.37 0.00 0.00 175.52 176.60 2x36 h PHE 820 N 0.35 1.15 -0.47 3.16 3.04 -0.73 -2.52 116.94 120.92 2x36 h PHE 820 Ca -0.05 -0.06 -0.02 0.00 3.98 0.00 0.00 57.97 61.82 2x36 h PHE 820 Cb 1.40 -0.36 -0.02 0.00 2.56 0.00 0.00 35.95 39.53 2x36 h PHE 820 CO 0.06 0.84 0.20 0.00 -2.02 0.00 0.00 178.31 177.39 2x36 h ALA 821 N 1.20 0.60 -0.04 2.41 0.00 -0.38 -1.00 119.26 122.04 2x36 h ALA 821 Ca 0.27 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 55.08 2x36 h ALA 821 Cb 0.12 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 2x36 h ALA 821 CO -0.03 0.20 -0.17 0.00 0.00 0.00 0.00 179.25 179.25 2x36 h ARG 822 N 0.61 -0.24 -0.20 0.00 3.08 -1.12 -1.86 114.38 114.65 2x36 h ARG 822 Ca 0.16 0.02 -0.10 0.00 0.07 0.00 0.00 59.98 60.12 2x36 h ARG 822 Cb 0.17 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 2x36 h ARG 822 CO -0.01 -0.16 -0.31 0.00 -1.07 0.00 0.00 179.97 178.42 2x36 h ALA 823 N 0.71 1.10 -0.21 0.04 0.00 -1.36 -1.66 119.26 117.89 2x36 h ALA 823 Ca 0.07 -0.37 -0.07 0.00 0.00 0.00 0.00 54.91 54.55 2x36 h ALA 823 Cb 0.35 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2x36 h ALA 823 CO -0.19 0.56 -0.16 0.35 0.00 0.00 0.00 179.25 179.81 2x36 h PHE 824 N 0.35 0.37 0.22 0.00 3.04 -0.78 -0.69 116.94 119.46 2x36 h PHE 824 Ca 0.05 -0.05 -0.32 0.00 3.98 0.00 0.00 57.97 61.62 2x36 h PHE 824 Cb 0.72 -0.10 0.03 0.00 2.56 0.00 0.00 35.95 39.16 2x36 h PHE 824 CO 0.02 0.50 -1.42 1.25 -2.02 0.00 0.00 178.31 176.64 2x36 h LEU 825 N 0.32 0.75 -0.47 0.59 5.85 -0.57 0.12 115.31 121.89 2x36 h LEU 825 Ca 0.06 -0.80 0.09 0.00 0.84 0.00 0.00 57.88 58.07 2x36 h LEU 825 Cb 0.48 -0.24 -0.07 0.00 0.37 0.00 0.00 40.66 41.19 2x36 h LEU 825 CO 0.03 1.62 0.04 0.24 -0.34 0.00 0.00 178.44 180.03 2x36 h MET 826 N 0.13 0.16 0.01 1.25 2.86 -1.04 -0.45 114.93 117.85 2x36 h MET 826 Ca -0.23 -0.01 -0.25 0.00 -2.06 0.00 0.00 59.70 57.16 2x36 h MET 826 Cb 2.12 -0.04 0.01 0.00 0.06 0.00 0.00 31.60 33.75 2x36 h MET 826 CO 0.26 0.10 -1.01 0.37 1.06 0.00 0.00 176.91 177.70 2x36 h GLN 827 N 0.16 0.51 0.06 1.72 -0.00 -0.97 -2.92 115.11 113.67 2x36 h GLN 827 Ca 0.24 -0.57 -0.00 0.00 -0.00 0.00 0.00 58.65 58.31 2x36 h GLN 827 Cb 0.34 0.17 0.00 0.00 0.00 0.00 0.00 27.48 27.98 2x36 h GLN 827 CO -0.36 1.20 -0.03 1.25 0.00 0.00 0.00 178.83 180.90 2x36 h HIS 828 N 0.28 -0.07 -2.64 3.99 2.76 -0.82 -3.42 115.15 115.24 2x36 h HIS 828 Ca -0.10 -0.00 -0.60 0.00 -2.20 0.00 0.00 60.37 57.46 2x36 h HIS 828 Cb 1.65 0.02 -0.39 0.00 1.55 0.00 0.00 27.41 30.24 2x36 h HIS 828 CO 0.08 0.53 -0.82 0.00 -1.30 0.00 0.00 177.93 176.41 2x36 s ALA 829 N -3.35 2.28 0.59 5.26 0.00 -0.18 -4.92 121.76 121.44 2x36 s ALA 829 Ca -0.15 -2.95 0.29 0.00 0.00 0.00 0.00 51.96 49.16 2x36 s ALA 829 Cb -0.00 -1.81 1.41 0.00 0.00 0.00 0.00 23.12 22.72 2x36 s ALA 829 CO 0.57 -2.02 1.81 -1.35 0.00 0.00 0.00 175.76 174.77 2x36 h PRO 830 N 5.60 0.00 -0.70 0.00 0.11 -1.59 0.81 132.00 136.22 2x36 h PRO 830 Ca 0.21 0.00 0.03 0.00 0.11 0.00 0.00 66.00 66.36 2x36 h PRO 830 Cb 0.85 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.93 2x36 h PRO 830 CO 0.50 0.00 0.46 0.00 -0.21 0.00 0.00 178.00 178.75 2x36 h ALA 831 N 1.33 1.59 -2.83 -0.75 0.00 -1.85 -3.44 119.26 113.30 2x36 h ALA 831 Ca 0.28 -0.04 -0.58 0.00 0.00 0.00 0.00 54.91 54.58 2x36 h ALA 831 Cb 1.50 -0.24 -0.08 0.00 0.00 0.00 0.00 17.79 18.97 2x36 h ALA 831 CO -0.00 0.34 -0.07 1.21 0.00 0.00 0.00 179.25 180.73 2x36 s ASN 832 N -6.33 6.73 0.00 0.00 3.84 0.28 -4.95 114.94 114.51 2x36 s ASN 832 Ca -0.10 0.88 0.14 0.00 0.21 0.00 0.00 52.86 53.98 2x36 s ASN 832 Cb 0.18 -2.32 0.02 0.00 -0.55 0.00 0.00 41.25 38.59 2x36 s ASN 832 CO 0.77 -0.06 0.80 -0.90 -2.79 0.00 0.00 177.10 174.93 2x36 n ASP 833 N 3.90 1.62 0.06 -4.21 5.68 -1.26 -4.70 116.55 117.63 2x36 n ASP 833 Ca -0.05 -1.31 -0.11 0.00 -0.50 0.00 0.00 54.79 52.81 2x36 n ASP 833 Cb 0.51 0.36 -0.05 0.00 -1.14 0.00 0.00 41.12 40.81 2x36 n ASP 833 CO 0.00 0.00 0.00 0.22 -1.33 0.00 0.00 177.20 176.09 2x36 h TYR 834 N 1.80 -0.73 -0.08 2.11 3.20 -1.92 -1.31 116.97 120.03 2x36 h TYR 834 Ca 0.00 0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.92 2x36 h TYR 834 Cb 0.49 0.33 -0.03 0.00 1.54 0.00 0.00 36.73 39.05 2x36 h TYR 834 CO 0.00 -0.36 -0.10 -0.07 -1.64 0.00 0.00 178.16 175.99 2x36 h LEU 835 N -0.41 -0.30 -2.38 2.82 4.07 -1.91 0.28 115.31 117.46 2x36 h LEU 835 Ca 0.06 0.06 0.00 0.00 0.08 0.00 0.00 57.88 58.08 2x36 h LEU 835 Cb 0.50 0.15 0.00 0.00 1.08 0.00 0.00 40.66 42.39 2x36 h LEU 835 CO -0.24 -0.14 0.00 0.58 -1.08 0.00 0.00 178.44 177.56 2x36 h VAL 836 N -0.13 0.00 0.00 1.22 2.07 -1.83 -3.35 116.25 114.23 2x36 h VAL 836 Ca 0.07 -0.13 -0.09 0.00 0.82 0.00 0.00 66.70 67.36 2x36 h VAL 836 Cb 0.22 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 2x36 h VAL 836 CO -0.16 0.00 -1.34 0.41 0.02 0.00 0.00 177.57 176.50 2x36 n THR 837 N -2.97 0.34 -1.56 2.57 -1.04 -0.52 -3.51 114.28 107.60 2x36 n THR 837 Ca -0.02 -0.13 -0.31 0.00 -2.04 0.00 0.00 64.05 61.55 2x36 n THR 837 Cb 0.13 -0.75 0.05 0.00 -1.82 0.00 0.00 70.33 67.94 2x36 n THR 837 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 2x36 s SER 838 N -4.62 5.31 -0.89 8.00 0.01 0.94 -3.60 113.70 118.86 2x36 s SER 838 Ca -0.08 1.64 -0.13 0.00 1.31 0.00 0.00 55.95 58.69 2x36 s SER 838 Cb 0.02 -2.50 0.23 0.00 0.21 0.00 0.00 66.02 63.98 2x36 s SER 838 CO 0.14 -1.49 0.85 -1.00 0.41 0.00 0.00 173.24 172.14 2x36 s HIS 839 N -3.01 3.84 0.40 2.43 0.09 -1.26 -1.50 115.29 116.28 2x36 s HIS 839 Ca 0.58 -2.10 -0.12 0.00 -0.00 0.00 0.00 55.06 53.42 2x36 s HIS 839 Cb -0.14 -3.84 -0.07 0.00 -0.00 0.00 0.00 32.58 28.53 2x36 s HIS 839 CO 0.54 -1.00 0.78 0.42 -0.00 0.00 0.00 174.74 175.49 2x36 s ILE 840 N -0.01 4.75 -0.14 0.60 1.01 -0.69 -4.57 121.20 122.14 2x36 s ILE 840 Ca 0.21 0.73 0.02 0.00 0.00 0.00 0.00 60.65 61.60 2x36 s ILE 840 Cb -0.10 -3.71 0.00 0.00 0.01 0.00 0.00 42.46 38.66 2x36 s ILE 840 CO -0.09 -0.48 -0.19 -2.28 0.00 0.00 0.00 174.94 171.90 2x36 s HIS 841 N -2.33 2.71 -0.16 3.97 5.65 0.55 -1.40 115.29 124.28 2x36 s HIS 841 Ca 0.52 -1.11 -0.03 0.00 0.25 0.00 0.00 55.06 54.69 2x36 s HIS 841 Cb -0.10 -1.83 -0.02 0.00 -1.18 0.00 0.00 32.58 29.44 2x36 s HIS 841 CO 0.29 -0.49 -0.05 -1.17 -0.65 0.00 0.00 174.74 172.67 2x36 s LEU 842 N 0.70 3.10 -0.17 8.88 2.96 0.33 -1.37 118.68 133.10 2x36 s LEU 842 Ca -0.09 -0.20 0.01 0.00 -0.22 0.00 0.00 54.13 53.63 2x36 s LEU 842 Cb -0.16 -1.74 0.02 0.00 0.50 0.00 0.00 46.19 44.80 2x36 s LEU 842 CO 0.01 0.14 -0.19 -2.28 -1.32 0.00 0.00 176.35 172.71 2x36 s HIS 843 N 0.52 2.77 -0.23 5.38 5.65 0.54 -0.32 115.29 129.60 2x36 s HIS 843 Ca -0.04 -1.54 -0.02 0.00 0.25 0.00 0.00 55.06 53.71 2x36 s HIS 843 Cb -0.15 -1.91 0.02 0.00 -1.18 0.00 0.00 32.58 29.36 2x36 s HIS 843 CO 0.03 -0.75 -0.08 0.08 -0.65 0.00 0.00 174.74 173.36 2x36 s VAL 844 N 1.21 2.81 0.46 0.89 1.01 -0.82 -1.08 120.40 124.87 2x36 s VAL 844 Ca 0.03 -0.91 -0.25 0.00 0.00 0.00 0.00 61.98 60.86 2x36 s VAL 844 Cb -0.14 -2.36 -0.08 0.00 0.00 0.00 0.00 36.38 33.81 2x36 s VAL 844 CO -0.10 0.31 1.38 -2.84 0.00 0.00 0.00 175.10 173.84 2x36 s PRO 845 N 1.35 3.64 0.41 2.72 0.02 -1.26 -4.38 135.00 137.49 2x36 s PRO 845 Ca 0.02 2.30 -0.25 0.00 0.02 0.00 0.00 61.00 63.10 2x36 s PRO 845 Cb -0.15 -2.59 -0.08 0.00 0.02 0.00 0.00 34.50 31.69 2x36 s PRO 845 CO -0.06 -0.81 1.12 -1.21 -0.33 0.00 0.00 177.00 175.71 2x36 s GLU 846 N -2.51 4.06 0.00 5.54 2.02 -1.26 -4.52 118.70 122.03 2x36 s GLU 846 Ca 0.62 1.71 0.00 0.00 0.02 0.00 0.00 54.97 57.32 2x36 s GLU 846 Cb -0.41 -2.60 0.00 0.00 0.10 0.00 0.00 34.13 31.22 2x36 s GLU 846 CO 0.52 -0.28 0.00 0.41 0.02 0.00 0.00 175.26 175.93 2x36 n GLY 847 N 0.52 2.97 3.70 -1.39 0.00 -1.26 -5.13 105.19 104.60 2x36 n GLY 847 Ca 0.05 -0.38 -0.43 0.00 0.00 0.00 0.00 46.02 45.26 2x36 n GLY 847 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x36 n ALA 848 N 0.00 1.42 -0.68 4.61 0.00 -1.26 -4.31 120.51 120.30 2x36 n ALA 848 Ca 0.00 0.38 -0.31 0.00 0.00 0.00 0.00 53.44 53.51 2x36 n ALA 848 Cb 0.00 -2.29 0.17 0.00 0.00 0.00 0.00 19.45 17.33 2x36 n ALA 848 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2x36 s THR 849 N -0.60 2.05 0.10 0.00 -4.23 -0.78 -4.88 115.64 107.31 2x36 s THR 849 Ca 0.61 0.02 -0.22 0.00 -1.18 0.00 0.00 61.69 60.92 2x36 s THR 849 Cb -0.58 -2.04 -0.12 0.00 1.34 0.00 0.00 72.50 71.10 2x36 s THR 849 CO 0.56 -0.02 1.73 1.55 -0.54 0.00 0.00 174.62 177.90 2x36 h PRO 850 N -1.94 0.11 -0.21 3.99 0.13 -1.95 -2.02 132.00 130.11 2x36 h PRO 850 Ca -0.44 -0.01 0.06 0.00 -0.87 0.00 0.00 66.00 64.74 2x36 h PRO 850 Cb 1.27 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 2x36 h PRO 850 CO 0.42 0.10 0.20 0.87 -0.23 0.00 0.00 178.00 179.36 2x36 h LYS 851 N 0.09 0.00 -0.01 0.86 6.56 -1.98 -1.76 116.57 120.34 2x36 h LYS 851 Ca 0.03 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.62 2x36 h LYS 851 Cb 0.01 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.67 2x36 h LYS 851 CO -0.01 0.00 -0.09 -3.47 -2.06 0.00 0.00 179.45 173.82 2x36 n ASP 852 N -4.02 0.87 -0.23 0.86 4.64 -0.77 -4.50 116.55 113.40 2x36 n ASP 852 Ca 0.02 -1.01 -0.07 0.00 -1.38 0.00 0.00 54.79 52.36 2x36 n ASP 852 Cb 0.33 0.01 0.04 0.00 -1.04 0.00 0.00 41.12 40.46 2x36 n ASP 852 CO 0.00 0.00 0.00 1.23 -0.82 0.00 0.00 177.20 177.61 2x36 h GLY 853 N 4.92 0.98 2.00 0.27 0.00 -1.25 -2.89 103.07 107.10 2x36 h GLY 853 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 47.33 46.85 2x36 h GLY 853 CO 0.00 0.46 0.00 -2.55 0.00 0.00 0.00 176.54 174.45 2x36 h PRO 854 N 0.87 0.00 0.00 4.80 0.11 -1.82 -2.87 132.00 133.09 2x36 h PRO 854 Ca 0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.33 2x36 h PRO 854 Cb 0.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.23 2x36 h PRO 854 CO -0.03 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.63 2x36 n SER 855 N -2.42 0.66 0.07 -2.05 3.41 -1.09 0.45 113.62 112.65 2x36 n SER 855 Ca 0.02 0.66 0.08 0.00 -0.26 0.00 0.00 58.87 59.36 2x36 n SER 855 Cb 0.25 -0.80 0.35 0.00 -0.26 0.00 0.00 64.21 63.74 2x36 n SER 855 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2x36 n ALA 856 N -1.77 1.39 -0.25 7.33 0.00 -1.08 0.45 120.51 126.57 2x36 n ALA 856 Ca 0.02 0.05 0.05 0.00 0.00 0.00 0.00 53.44 53.56 2x36 n ALA 856 Cb 0.23 -1.24 0.16 0.00 0.00 0.00 0.00 19.45 18.60 2x36 n ALA 856 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2x36 h GLY 857 N 1.37 0.88 2.00 0.00 0.00 -0.03 0.12 103.07 107.42 2x36 h GLY 857 Ca 0.00 0.07 -0.05 0.00 0.00 0.00 0.00 47.33 47.36 2x36 h GLY 857 CO 0.00 -0.27 -0.21 0.00 0.00 0.00 0.00 176.54 176.06 2x36 h THR 859 N 0.00 1.34 -0.55 0.00 2.02 -1.30 -2.60 112.91 111.82 2x36 h THR 859 Ca -0.00 -2.06 -0.11 0.00 0.77 0.00 0.00 66.41 65.01 2x36 h THR 859 Cb 0.78 2.05 -0.02 0.00 -1.74 0.00 0.00 68.15 69.21 2x36 h THR 859 CO 0.03 0.63 -0.09 0.40 0.37 0.00 0.00 175.52 176.86 2x36 h ILE 860 N 0.38 1.27 -0.39 3.11 2.04 -0.66 -2.47 117.51 120.80 2x36 h ILE 860 Ca -0.04 -1.25 -0.09 0.00 1.00 0.00 0.00 64.86 64.49 2x36 h ILE 860 Cb 1.33 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 38.34 2x36 h ILE 860 CO 0.14 0.44 -0.10 1.62 0.00 0.00 0.00 178.15 180.25 2x36 h VAL 861 N 0.91 1.28 -0.74 1.67 3.04 -1.48 -3.04 116.25 117.89 2x36 h VAL 861 Ca 0.15 -1.18 0.00 0.00 -1.01 0.00 0.00 66.70 64.65 2x36 h VAL 861 Cb 0.66 1.25 -0.04 0.00 -2.01 0.00 0.00 31.29 31.15 2x36 h VAL 861 CO 0.05 0.39 0.47 0.74 -1.01 0.00 0.00 177.57 178.21 2x36 h THR 862 N 0.55 1.20 -0.77 3.17 2.02 -1.42 -2.25 112.91 115.41 2x36 h THR 862 Ca 0.10 -0.39 -0.04 0.00 0.77 0.00 0.00 66.41 66.85 2x36 h THR 862 Cb 0.62 0.13 -0.03 0.00 -1.74 0.00 0.00 68.15 67.13 2x36 h THR 862 CO 0.04 0.20 0.31 0.00 0.37 0.00 0.00 175.52 176.44 2x36 h ALA 863 N 1.26 1.09 -0.34 6.16 0.00 -1.46 0.35 119.26 126.32 2x36 h ALA 863 Ca 0.27 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 2x36 h ALA 863 Cb -0.09 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.38 2x36 h ALA 863 CO -0.06 0.65 0.11 -0.07 0.00 0.00 0.00 179.25 179.88 2x36 h LEU 864 N 1.12 0.50 -0.06 0.00 3.38 -1.31 0.13 115.31 119.06 2x36 h LEU 864 Ca 0.26 -0.20 -0.08 0.00 0.09 0.00 0.00 57.88 57.95 2x36 h LEU 864 Cb 0.20 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.83 2x36 h LEU 864 CO -0.02 0.57 -0.27 -0.07 0.09 0.00 0.00 178.44 178.74 2x36 h LEU 865 N 0.40 0.34 -0.83 1.67 3.38 -1.15 0.84 115.31 119.96 2x36 h LEU 865 Ca 0.11 -0.65 0.14 0.00 0.09 0.00 0.00 57.88 57.58 2x36 h LEU 865 Cb 0.25 -0.10 -0.09 0.00 0.09 0.00 0.00 40.66 40.81 2x36 h LEU 865 CO -0.00 0.93 0.41 -1.28 0.09 0.00 0.00 178.44 178.59 2x36 h SER 866 N -0.23 0.49 0.70 -0.43 0.87 -0.21 -0.01 113.55 114.73 2x36 h SER 866 Ca -0.02 0.09 -0.03 0.00 -1.23 0.00 0.00 61.79 60.60 2x36 h SER 866 Cb 0.92 0.02 0.01 0.00 -0.44 0.00 0.00 62.40 62.90 2x36 h SER 866 CO 0.06 0.21 -0.34 0.25 -0.53 0.00 0.00 176.83 176.48 2x36 h LEU 867 N 0.60 -0.80 -0.93 2.23 5.85 -0.56 -1.27 115.31 120.44 2x36 h LEU 867 Ca 0.45 0.01 0.26 0.00 0.84 0.00 0.00 57.88 59.44 2x36 h LEU 867 Cb 0.63 0.21 -0.14 0.00 0.37 0.00 0.00 40.66 41.73 2x36 h LEU 867 CO -0.36 -0.54 0.40 0.00 -0.34 0.00 0.00 178.44 177.60 2x36 h ALA 868 N -0.71 1.56 -0.25 1.25 0.00 0.54 0.57 119.26 122.22 2x36 h ALA 868 Ca -0.10 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2x36 h ALA 868 Cb 0.73 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.73 2x36 h ALA 868 CO 0.16 -0.46 0.00 -1.33 0.00 0.00 0.00 179.25 177.62 2x36 n MET 869 N -5.11 2.11 -2.32 0.00 2.81 -0.15 -4.82 117.12 109.64 2x36 n MET 869 Ca 0.25 -1.67 -0.17 0.00 -1.81 0.00 0.00 57.70 54.31 2x36 n MET 869 Cb 0.78 -1.45 -0.01 0.00 -0.71 0.00 0.00 33.22 31.82 2x36 n MET 869 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2x36 n GLY 870 N 1.31 -0.27 3.07 3.03 0.00 0.20 -4.91 105.19 107.61 2x36 n GLY 870 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 2x36 n GLY 870 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2x36 s ARG 871 N -4.86 2.49 0.68 1.61 3.52 -0.50 -4.87 118.95 117.02 2x36 s ARG 871 Ca 0.00 -0.95 -0.17 0.00 -0.13 0.00 0.00 55.73 54.48 2x36 s ARG 871 Cb 0.00 -2.57 0.01 0.00 -1.56 0.00 0.00 34.95 30.82 2x36 s ARG 871 CO 0.00 -0.36 1.28 -2.14 -0.81 0.00 0.00 175.30 173.26 2x36 s PRO 872 N 1.28 2.36 0.64 5.12 0.02 -1.26 -4.52 135.00 138.64 2x36 s PRO 872 Ca -0.00 2.00 -0.13 0.00 0.02 0.00 0.00 61.00 62.89 2x36 s PRO 872 Cb -0.16 -1.83 -0.02 0.00 0.02 0.00 0.00 34.50 32.52 2x36 s PRO 872 CO -0.09 -1.73 1.05 0.14 -0.33 0.00 0.00 177.00 176.03 2x36 s VAL 873 N -1.55 4.09 0.28 3.83 -7.23 -1.26 -4.95 120.40 113.61 2x36 s VAL 873 Ca 0.81 0.79 -0.30 0.00 -1.81 0.00 0.00 61.98 61.47 2x36 s VAL 873 Cb -0.36 -3.48 -0.13 0.00 0.56 0.00 0.00 36.38 32.98 2x36 s VAL 873 CO 0.42 -0.77 1.35 -1.14 -0.31 0.00 0.00 175.10 174.64 2x36 n ARG 874 N -2.62 2.03 -2.16 4.82 0.63 -1.14 -4.85 116.66 113.37 2x36 n ARG 874 Ca 0.08 0.72 -0.35 0.00 -0.92 0.00 0.00 57.85 57.38 2x36 n ARG 874 Cb 0.53 -2.33 0.01 0.00 0.45 0.00 0.00 32.46 31.12 2x36 n ARG 874 CO 0.00 0.00 0.00 -1.14 -2.51 0.00 0.00 177.63 173.98 2x36 s GLN 875 N -0.99 3.23 -1.08 -0.14 0.74 -1.26 -3.70 119.66 116.46 2x36 s GLN 875 Ca 0.63 1.60 0.00 0.00 0.05 0.00 0.00 55.36 57.64 2x36 s GLN 875 Cb -0.62 -1.99 0.00 0.00 1.10 0.00 0.00 33.01 31.50 2x36 s GLN 875 CO 0.55 -0.94 0.00 -1.71 -0.55 0.00 0.00 175.29 172.63 2x36 n ASN 876 N -1.50 -3.97 -4.36 6.67 5.15 -1.26 -5.02 115.26 110.96 2x36 n ASN 876 Ca 0.12 0.03 -0.32 0.00 -0.60 0.00 0.00 54.58 53.80 2x36 n ASN 876 Cb 0.51 -3.11 -0.15 0.00 -0.53 0.00 0.00 39.78 36.50 2x36 n ASN 876 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 2x36 s LEU 877 N -3.46 2.34 0.03 1.20 2.96 -1.24 -3.21 118.68 117.30 2x36 s LEU 877 Ca 0.00 -0.37 0.04 0.00 -0.22 0.00 0.00 54.13 53.57 2x36 s LEU 877 Cb 0.00 -1.44 -0.02 0.00 0.50 0.00 0.00 46.19 45.23 2x36 s LEU 877 CO 0.00 0.30 -0.11 0.00 -1.32 0.00 0.00 176.35 175.22 2x36 s ALA 878 N -0.50 0.90 0.07 5.97 0.00 -1.15 -4.31 121.76 122.75 2x36 s ALA 878 Ca 0.06 -0.70 -0.08 0.00 0.00 0.00 0.00 51.96 51.24 2x36 s ALA 878 Cb -0.11 -0.12 -0.01 0.00 0.00 0.00 0.00 23.12 22.88 2x36 s ALA 878 CO 0.01 0.14 0.16 0.00 0.00 0.00 0.00 175.76 176.07 2x36 s MET 879 N -1.06 0.78 -0.01 0.00 0.23 -1.12 -1.52 119.30 116.61 2x36 s MET 879 Ca -0.01 -0.92 -0.09 0.00 -1.03 0.00 0.00 55.69 53.63 2x36 s MET 879 Cb -0.07 0.31 0.01 0.00 -1.53 0.00 0.00 34.83 33.55 2x36 s MET 879 CO 0.01 -0.23 0.18 -0.08 -2.03 0.00 0.00 175.02 172.87 2x36 s THR 880 N -3.59 0.07 0.00 3.16 -1.32 -1.00 -2.82 115.64 110.14 2x36 s THR 880 Ca 0.03 -0.59 0.00 0.00 -1.21 0.00 0.00 61.69 59.92 2x36 s THR 880 Cb 0.04 -0.47 0.00 0.00 -1.51 0.00 0.00 72.50 70.56 2x36 s THR 880 CO -0.09 -0.33 0.00 0.61 -2.21 0.00 0.00 174.62 172.60 2x36 n GLY 881 N 1.51 3.79 3.74 6.08 0.00 0.17 -4.25 105.19 116.22 2x36 n GLY 881 Ca -0.22 -0.30 -0.41 0.00 0.00 0.00 0.00 46.02 45.09 2x36 n GLY 881 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2x36 s GLU 882 N -1.76 4.42 -0.07 1.61 2.12 -1.08 -0.17 118.70 123.77 2x36 s GLU 882 Ca 0.00 1.99 0.01 0.00 0.36 0.00 0.00 54.97 57.33 2x36 s GLU 882 Cb 0.00 -3.22 -0.03 0.00 0.26 0.00 0.00 34.13 31.15 2x36 s GLU 882 CO 0.00 -0.21 -0.10 0.54 -0.54 0.00 0.00 175.26 174.95 2x36 s VAL 883 N 0.14 3.43 0.34 3.70 0.11 -1.26 0.88 120.40 127.74 2x36 s VAL 883 Ca 0.56 -0.57 -0.07 0.00 -2.93 0.00 0.00 61.98 58.96 2x36 s VAL 883 Cb -0.35 -2.40 -0.06 0.00 -1.53 0.00 0.00 36.38 32.05 2x36 s VAL 883 CO 0.37 0.58 0.65 -0.94 -3.33 0.00 0.00 175.10 172.43 2x36 s SER 884 N -0.59 6.48 0.27 3.54 1.04 -0.88 -4.75 113.70 118.81 2x36 s SER 884 Ca 0.09 0.90 -0.01 0.00 0.48 0.00 0.00 55.95 57.40 2x36 s SER 884 Cb -0.12 -2.22 0.62 0.00 0.10 0.00 0.00 66.02 64.40 2x36 s SER 884 CO 0.02 -0.29 1.64 0.25 0.98 0.00 0.00 173.24 175.84 2x36 h LEU 885 N 1.48 -0.11 0.00 2.42 6.46 -1.90 -1.10 115.31 122.56 2x36 h LEU 885 Ca -0.47 0.20 0.00 0.00 -0.12 0.00 0.00 57.88 57.48 2x36 h LEU 885 Cb 1.19 0.29 0.00 0.00 -0.73 0.00 0.00 40.66 41.41 2x36 h LEU 885 CO 0.65 -0.16 -0.31 0.35 -0.62 0.00 0.00 178.44 178.35 2x36 n THR 886 N -5.26 0.42 0.00 1.05 -2.24 -1.26 -4.55 114.28 102.44 2x36 n THR 886 Ca 0.19 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 2x36 n THR 886 Cb 0.61 -0.32 0.00 0.00 -2.10 0.00 0.00 70.33 68.52 2x36 n THR 886 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2x36 n GLY 887 N 1.34 0.96 3.58 3.38 0.00 -0.42 -4.97 105.19 109.07 2x36 n GLY 887 Ca 0.05 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.61 2x36 n GLY 887 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2x36 n LYS 888 N -0.23 1.24 -3.47 1.61 3.00 -1.26 -1.42 118.16 117.63 2x36 n LYS 888 Ca 0.00 0.44 -0.38 0.00 -0.00 0.00 0.00 58.31 58.36 2x36 n LYS 888 Cb 0.00 -1.81 -0.09 0.00 0.00 0.00 0.00 35.03 33.13 2x36 n LYS 888 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 2x36 s ILE 889 N -0.88 5.23 -0.02 3.15 -1.09 -0.60 -2.07 121.20 124.92 2x36 s ILE 889 Ca 0.62 0.45 -0.01 0.00 -2.23 0.00 0.00 60.65 59.47 2x36 s ILE 889 Cb -0.74 -3.64 -0.04 0.00 -1.58 0.00 0.00 42.46 36.46 2x36 s ILE 889 CO 0.58 0.22 0.09 -0.76 -1.23 0.00 0.00 174.94 173.84 2x36 s LEU 890 N 1.73 3.97 0.65 2.97 1.02 0.25 -4.82 118.68 124.46 2x36 s LEU 890 Ca 0.13 0.20 -0.16 0.00 0.02 0.00 0.00 54.13 54.32 2x36 s LEU 890 Cb -0.15 -2.26 -0.01 0.00 0.02 0.00 0.00 46.19 43.79 2x36 s LEU 890 CO 0.09 0.29 1.12 -2.16 0.02 0.00 0.00 176.35 175.71 2x36 s PRO 891 N -1.62 2.83 0.39 1.29 0.04 -1.26 -2.64 135.00 134.03 2x36 s PRO 891 Ca 0.22 1.44 0.04 0.00 0.04 0.00 0.00 61.00 62.74 2x36 s PRO 891 Cb -0.12 -1.95 -0.03 0.00 0.04 0.00 0.00 34.50 32.44 2x36 s PRO 891 CO 0.13 -1.23 0.13 0.14 0.04 0.00 0.00 177.00 176.21 2x36 s VAL 892 N -2.24 0.58 0.29 -0.36 -7.23 -1.26 -4.76 120.40 105.42 2x36 s VAL 892 Ca 0.68 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.88 2x36 s VAL 892 Cb -0.21 -2.40 0.03 0.00 0.56 0.00 0.00 36.38 34.36 2x36 s VAL 892 CO 0.40 0.00 0.26 0.61 -0.31 0.00 0.00 175.10 176.06 2x36 n GLY 893 N -0.85 2.66 2.83 2.32 0.00 -1.26 -4.78 105.19 106.10 2x36 n GLY 893 Ca -0.04 -2.22 -0.16 0.00 0.00 0.00 0.00 46.02 43.59 2x36 n GLY 893 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2x36 n GLY 894 N 1.50 -0.10 0.26 -0.02 0.00 -1.26 -4.93 105.19 100.64 2x36 n GLY 894 Ca 0.01 -0.08 -0.08 0.00 0.00 0.00 0.00 46.02 45.88 2x36 n GLY 894 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2x36 h ILE 895 N -1.55 1.23 -0.14 -0.61 1.08 -1.94 -0.02 117.51 115.57 2x36 h ILE 895 Ca -0.38 -0.76 -0.04 0.00 -0.39 0.00 0.00 64.86 63.29 2x36 h ILE 895 Cb 1.25 0.66 -0.00 0.00 -3.07 0.00 0.00 36.82 35.66 2x36 h ILE 895 CO 0.39 0.29 -0.06 0.50 -0.69 0.00 0.00 178.15 178.57 2x36 h LYS 896 N 0.79 0.30 -0.62 2.37 3.64 -1.91 0.05 116.57 121.18 2x36 h LYS 896 Ca 0.19 -0.13 -0.07 0.00 -1.27 0.00 0.00 60.65 59.37 2x36 h LYS 896 Cb 0.25 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 2x36 h LYS 896 CO -0.01 0.61 0.10 0.93 -2.27 0.00 0.00 179.45 178.81 2x36 h GLU 897 N -0.04 1.03 -0.01 1.90 3.07 -1.90 0.31 114.58 118.94 2x36 h GLU 897 Ca 0.03 -0.28 -0.16 0.00 -0.50 0.00 0.00 59.36 58.46 2x36 h GLU 897 Cb 0.52 -0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 28.29 2x36 h GLU 897 CO 0.02 0.96 -0.73 0.87 -1.40 0.00 0.00 179.01 178.73 2x36 h LYS 898 N 0.94 0.09 0.07 2.33 1.57 -0.96 -1.35 116.57 119.25 2x36 h LYS 898 Ca 0.19 -0.08 -0.24 0.00 -1.87 0.00 0.00 60.65 58.65 2x36 h LYS 898 Cb 0.43 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 2x36 h LYS 898 CO 0.01 0.78 -1.13 1.15 -0.57 0.00 0.00 179.45 179.69 2x36 h THR 899 N 0.06 1.60 -0.40 -0.16 2.02 -0.47 -1.88 112.91 113.66 2x36 h THR 899 Ca -0.02 -3.24 -0.05 0.00 0.77 0.00 0.00 66.41 63.88 2x36 h THR 899 Cb 1.30 2.89 -0.02 0.00 -1.74 0.00 0.00 68.15 70.58 2x36 h THR 899 CO 0.10 0.93 0.07 0.40 0.37 0.00 0.00 175.52 177.39 2x36 h ILE 900 N 0.04 1.24 -0.27 3.11 2.04 -0.73 -2.24 117.51 120.70 2x36 h ILE 900 Ca -0.08 -0.86 -0.00 0.00 1.00 0.00 0.00 64.86 64.92 2x36 h ILE 900 Cb 1.88 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 38.96 2x36 h ILE 900 CO 0.17 0.30 0.16 0.00 0.00 0.00 0.00 178.15 178.77 2x36 h ALA 901 N 0.93 0.35 -0.87 1.87 0.00 -1.20 -0.81 119.26 119.53 2x36 h ALA 901 Ca 0.12 -0.05 0.14 0.00 0.00 0.00 0.00 54.91 55.12 2x36 h ALA 901 Cb 0.37 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 17.98 2x36 h ALA 901 CO 0.01 -0.14 0.56 0.00 0.00 0.00 0.00 179.25 179.68 2x36 h ALA 902 N 1.05 1.87 0.07 0.00 0.00 -1.20 -1.43 119.26 119.61 2x36 h ALA 902 Ca 0.10 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 2x36 h ALA 902 Cb 0.03 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2x36 h ALA 902 CO -0.02 -0.10 -0.03 -0.22 0.00 0.00 0.00 179.25 178.88 2x36 h LYS 903 N 0.66 -0.09 -0.55 0.00 3.64 -0.71 0.57 116.57 120.08 2x36 h LYS 903 Ca 0.43 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.81 2x36 h LYS 903 Cb 0.73 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.54 2x36 h LYS 903 CO -0.19 0.30 0.31 0.00 -2.27 0.00 0.00 179.45 177.60 2x36 h ARG 904 N -0.50 0.75 0.00 1.90 3.08 -1.01 0.56 114.38 119.15 2x36 h ARG 904 Ca -0.01 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.97 2x36 h ARG 904 Cb 0.43 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.33 2x36 h ARG 904 CO 0.02 0.54 0.00 0.00 -1.07 0.00 0.00 179.97 179.46 2x36 n ALA 905 N -2.45 2.27 -2.81 0.04 0.00 -0.55 -4.91 120.51 112.09 2x36 n ALA 905 Ca 0.05 -0.13 -0.14 0.00 0.00 0.00 0.00 53.44 53.22 2x36 n ALA 905 Cb 0.09 -1.37 0.03 0.00 0.00 0.00 0.00 19.45 18.20 2x36 n ALA 905 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2x36 n GLY 906 N 0.52 -0.07 3.84 0.00 0.00 0.19 -5.02 105.19 104.65 2x36 n GLY 906 Ca 0.14 -0.18 -0.32 0.00 0.00 0.00 0.00 46.02 45.66 2x36 n GLY 906 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2x36 s VAL 907 N -2.98 4.52 0.00 1.61 1.01 0.19 -4.97 120.40 119.78 2x36 s VAL 907 Ca 0.22 1.23 0.00 0.00 0.00 0.00 0.00 61.98 63.43 2x36 s VAL 907 Cb -0.10 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.62 2x36 s VAL 907 CO 0.27 -0.47 0.00 0.41 0.00 0.00 0.00 175.10 175.31 2x36 n THR 908 N -1.04 0.00 -5.21 3.92 -1.04 -1.24 -4.54 114.28 105.12 2x36 n THR 908 Ca 0.06 -0.18 -0.31 0.00 -2.04 0.00 0.00 64.05 61.58 2x36 n THR 908 Cb 0.54 0.90 -0.17 0.00 -1.82 0.00 0.00 70.33 69.78 2x36 n THR 908 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2x36 s ILE 910 N 0.01 0.69 -0.11 0.00 2.07 0.18 -2.92 121.20 121.13 2x36 s ILE 910 Ca -0.08 -0.33 0.04 0.00 -1.41 0.00 0.00 60.65 58.86 2x36 s ILE 910 Cb -0.15 -0.61 0.00 0.00 0.13 0.00 0.00 42.46 41.83 2x36 s ILE 910 CO 0.05 0.21 -0.23 -0.69 -1.91 0.00 0.00 174.94 172.38 2x36 s VAL 911 N 0.09 2.01 0.03 4.00 1.01 -0.57 -1.04 120.40 125.94 2x36 s VAL 911 Ca -0.01 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 60.99 2x36 s VAL 911 Cb -0.07 -1.75 -0.02 0.00 0.00 0.00 0.00 36.38 34.54 2x36 s VAL 911 CO 0.00 0.55 -0.04 -0.76 0.00 0.00 0.00 175.10 174.85 2x36 s LEU 912 N 0.47 2.29 0.64 3.92 1.02 0.03 -2.37 118.68 124.68 2x36 s LEU 912 Ca -0.16 -0.60 -0.15 0.00 0.02 0.00 0.00 54.13 53.24 2x36 s LEU 912 Cb -0.17 0.06 -0.01 0.00 0.02 0.00 0.00 46.19 46.09 2x36 s LEU 912 CO 0.06 -0.33 1.09 -2.84 0.02 0.00 0.00 176.35 174.35 2x36 s PRO 913 N -1.94 2.96 0.44 1.29 0.02 -1.26 -0.85 135.00 135.65 2x36 s PRO 913 Ca -0.10 1.31 0.20 0.00 0.02 0.00 0.00 61.00 62.43 2x36 s PRO 913 Cb -0.07 -1.98 1.02 0.00 0.02 0.00 0.00 34.50 33.49 2x36 s PRO 913 CO -0.02 -1.12 1.91 0.00 -0.33 0.00 0.00 177.00 177.45 2x36 h ALA 914 N 0.10 1.28 -0.09 -1.55 0.00 -1.07 -2.06 119.26 115.88 2x36 h ALA 914 Ca -0.47 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.21 2x36 h ALA 914 Cb 1.24 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2x36 h ALA 914 CO 0.55 0.32 0.00 0.39 0.00 0.00 0.00 179.25 180.51 2x36 n GLU 915 N -3.80 1.69 -0.52 0.00 1.02 -1.26 -3.17 120.64 114.59 2x36 n GLU 915 Ca -0.01 -1.01 0.05 0.00 -0.02 0.00 0.00 57.16 56.16 2x36 n GLU 915 Cb 0.35 -1.44 0.25 0.00 -0.02 0.00 0.00 31.44 30.58 2x36 n GLU 915 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2x36 n ASN 916 N 0.23 3.81 0.05 1.62 5.03 -0.77 -4.60 115.26 120.62 2x36 n ASN 916 Ca 0.18 -2.50 -0.11 0.00 0.87 0.00 0.00 54.58 53.02 2x36 n ASN 916 Cb 0.34 -0.57 -0.08 0.00 -1.02 0.00 0.00 39.78 38.45 2x36 n ASN 916 CO 0.00 0.00 0.00 0.11 -1.83 0.00 0.00 177.26 175.54 2x36 h LYS 917 N 2.63 -0.19 -0.83 3.52 1.57 -1.68 -1.96 116.57 119.64 2x36 h LYS 917 Ca 0.00 0.01 0.19 0.00 -1.87 0.00 0.00 60.65 58.98 2x36 h LYS 917 Cb 1.32 0.04 -0.12 0.00 0.08 0.00 0.00 32.23 33.55 2x36 h LYS 917 CO 0.26 0.27 0.31 1.57 -0.57 0.00 0.00 179.45 181.29 2x36 h LYS 918 N -0.80 0.36 -0.48 3.15 5.09 -1.86 0.40 116.57 122.42 2x36 h LYS 918 Ca -0.02 -0.02 -0.02 0.00 0.09 0.00 0.00 60.65 60.67 2x36 h LYS 918 Cb 0.54 -0.08 -0.02 0.00 0.10 0.00 0.00 32.23 32.76 2x36 h LYS 918 CO 0.03 0.24 0.20 -0.44 -2.09 0.00 0.00 179.45 177.39 2x36 h ASP 919 N 0.37 0.61 0.45 7.07 3.32 -1.80 0.60 116.42 127.05 2x36 h ASP 919 Ca 0.49 -0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.46 2x36 h ASP 919 Cb 0.88 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.28 2x36 h ASP 919 CO -0.51 0.55 -0.22 0.15 -1.72 0.00 0.00 179.24 177.50 2x36 h PHE 920 N 0.68 -0.56 0.00 4.55 3.57 -0.15 -3.23 116.94 121.79 2x36 h PHE 920 Ca 0.17 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.65 2x36 h PHE 920 Cb 0.13 0.19 0.00 0.00 2.79 0.00 0.00 35.95 39.05 2x36 h PHE 920 CO 0.01 -0.24 0.00 0.66 -2.23 0.00 0.00 178.31 176.51 2x36 n TYR 921 N -5.22 0.00 0.66 0.41 4.01 -0.85 -1.99 117.16 114.18 2x36 n TYR 921 Ca -0.10 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.76 2x36 n TYR 921 Cb 0.30 -0.39 0.46 0.00 -0.31 0.00 0.00 39.34 39.40 2x36 n TYR 921 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 2x36 n ASP 922 N -1.39 0.53 -4.83 7.72 8.00 0.17 -4.86 116.55 121.90 2x36 n ASP 922 Ca 0.04 0.57 -0.32 0.00 0.71 0.00 0.00 54.79 55.79 2x36 n ASP 922 Cb 0.10 -0.71 0.01 0.00 -0.02 0.00 0.00 41.12 40.50 2x36 n ASP 922 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2x36 s LEU 923 N -4.04 3.39 0.50 0.64 1.43 -0.84 -5.01 118.68 114.75 2x36 s LEU 923 Ca 0.10 1.65 -0.19 0.00 -1.03 0.00 0.00 54.13 54.66 2x36 s LEU 923 Cb 0.13 -4.51 -0.12 0.00 0.03 0.00 0.00 46.19 41.73 2x36 s LEU 923 CO 0.52 -1.06 0.37 0.00 0.23 0.00 0.00 176.35 176.40 2x36 n ALA 924 N -2.32 -1.75 -0.09 4.21 0.00 -1.26 -4.86 120.51 114.44 2x36 n ALA 924 Ca 0.08 0.03 -0.05 0.00 0.00 0.00 0.00 53.44 53.50 2x36 n ALA 924 Cb 0.53 -1.70 0.15 0.00 0.00 0.00 0.00 19.45 18.43 2x36 n ALA 924 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2x36 h ALA 925 N 0.36 1.06 -1.01 0.00 0.00 -1.95 -2.65 119.26 115.06 2x36 h ALA 925 Ca -0.43 -0.30 0.25 0.00 0.00 0.00 0.00 54.91 54.44 2x36 h ALA 925 Cb 1.41 -0.17 -0.12 0.00 0.00 0.00 0.00 17.79 18.91 2x36 h ALA 925 CO 0.47 0.58 0.60 0.35 0.00 0.00 0.00 179.25 181.25 2x36 h PHE 926 N 0.68 0.98 -0.04 0.00 3.57 -1.91 -0.21 116.94 120.01 2x36 h PHE 926 Ca 0.12 0.03 -0.21 0.00 3.53 0.00 0.00 57.97 61.44 2x36 h PHE 926 Cb 0.54 -0.28 0.02 0.00 2.79 0.00 0.00 35.95 39.02 2x36 h PHE 926 CO 0.03 0.05 -0.81 0.82 -2.23 0.00 0.00 178.31 176.17 2x36 h ILE 927 N 0.55 1.33 0.02 1.41 2.04 -1.85 -3.40 117.51 117.62 2x36 h ILE 927 Ca 0.65 -2.11 -0.34 0.00 1.00 0.00 0.00 64.86 64.06 2x36 h ILE 927 Cb 1.28 2.36 -0.05 0.00 -0.74 0.00 0.00 36.82 39.68 2x36 h ILE 927 CO -0.47 0.64 -2.04 0.35 0.00 0.00 0.00 178.15 176.63 2x36 n THR 928 N -4.02 1.57 -2.31 -0.27 -2.24 -0.68 -4.77 114.28 101.56 2x36 n THR 928 Ca -0.10 -0.76 -0.41 0.00 -2.27 0.00 0.00 64.05 60.51 2x36 n THR 928 Cb 0.77 -1.06 -0.03 0.00 -2.10 0.00 0.00 70.33 67.90 2x36 n THR 928 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2x36 s GLU 929 N -2.55 4.47 0.00 -0.78 0.41 -0.18 -1.42 118.70 118.65 2x36 s GLU 929 Ca -0.13 1.96 0.00 0.00 -0.41 0.00 0.00 54.97 56.39 2x36 s GLU 929 Cb 0.07 -3.19 0.00 0.00 -1.78 0.00 0.00 34.13 29.23 2x36 s GLU 929 CO 0.79 -0.08 0.00 0.41 -0.49 0.00 0.00 175.26 175.88 2x36 n GLY 930 N 1.79 2.77 3.66 -1.39 0.00 -1.26 -4.92 105.19 105.83 2x36 n GLY 930 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 2x36 n GLY 930 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2x36 s LEU 931 N 0.00 4.13 -0.54 0.99 2.96 -0.51 -4.97 118.68 120.74 2x36 s LEU 931 Ca 0.00 0.52 -0.27 0.00 -0.22 0.00 0.00 54.13 54.15 2x36 s LEU 931 Cb 0.00 -2.55 0.03 0.00 0.50 0.00 0.00 46.19 44.18 2x36 s LEU 931 CO 0.00 -0.12 1.11 -0.70 -1.32 0.00 0.00 176.35 175.32 2x36 s GLU 932 N 1.50 3.52 -0.11 1.98 2.12 0.33 -4.99 118.70 123.06 2x36 s GLU 932 Ca 0.20 0.21 0.00 0.00 0.36 0.00 0.00 54.97 55.74 2x36 s GLU 932 Cb -0.15 -3.99 -0.02 0.00 0.26 0.00 0.00 34.13 30.23 2x36 s GLU 932 CO 0.08 -1.54 -0.11 0.08 -0.54 0.00 0.00 175.26 173.23 2x36 s VAL 933 N 4.56 3.29 -0.06 3.70 1.01 -1.26 -0.64 120.40 131.00 2x36 s VAL 933 Ca 0.41 -0.60 0.06 0.00 0.00 0.00 0.00 61.98 61.85 2x36 s VAL 933 Cb -0.09 -2.37 -0.01 0.00 0.00 0.00 0.00 36.38 33.91 2x36 s VAL 933 CO 0.26 0.54 -0.24 -1.00 0.00 0.00 0.00 175.10 174.66 2x36 s HIS 934 N -0.05 2.46 -0.26 5.22 3.76 -0.20 -4.97 115.29 121.25 2x36 s HIS 934 Ca -0.02 -0.73 -0.04 0.00 -0.15 0.00 0.00 55.06 54.12 2x36 s HIS 934 Cb -0.14 -1.61 0.01 0.00 1.11 0.00 0.00 32.58 31.95 2x36 s HIS 934 CO 0.04 -0.22 0.00 -0.06 -0.85 0.00 0.00 174.74 173.65 2x36 s PHE 935 N -0.13 3.07 0.27 1.40 0.08 -1.25 -0.79 117.98 120.62 2x36 s PHE 935 Ca -0.04 -1.13 0.10 0.00 0.12 0.00 0.00 56.93 55.98 2x36 s PHE 935 Cb -0.14 -2.15 -0.04 0.00 -0.57 0.00 0.00 43.02 40.12 2x36 s PHE 935 CO 0.04 -0.61 -0.05 0.14 -0.10 0.00 0.00 175.22 174.65 2x36 s VAL 936 N 1.44 3.25 -0.03 -0.44 -7.23 -0.03 -4.70 120.40 112.66 2x36 s VAL 936 Ca 0.03 -2.01 0.02 0.00 -1.81 0.00 0.00 61.98 58.21 2x36 s VAL 936 Cb -0.16 -2.73 -0.04 0.00 0.56 0.00 0.00 36.38 34.01 2x36 s VAL 936 CO -0.01 -0.37 -0.00 -0.62 -0.31 0.00 0.00 175.10 173.78 2x36 n GLU 937 N -0.82 2.58 -4.05 4.82 1.02 -1.26 -0.50 120.64 122.44 2x36 n GLU 937 Ca -0.06 0.01 -0.12 0.00 -0.02 0.00 0.00 57.16 56.96 2x36 n GLU 937 Cb 0.59 -1.08 -0.12 0.00 -0.02 0.00 0.00 31.44 30.81 2x36 n GLU 937 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2x36 s HIS 938 N -2.08 0.53 0.27 -0.32 2.46 -1.26 -1.55 115.29 113.33 2x36 s HIS 938 Ca -0.03 -0.44 0.00 0.00 0.47 0.00 0.00 55.06 55.07 2x36 s HIS 938 Cb 0.01 -0.33 0.57 0.00 -0.13 0.00 0.00 32.58 32.71 2x36 s HIS 938 CO 0.12 -0.10 1.76 -0.92 -2.47 0.00 0.00 174.74 173.14 2x36 h TYR 939 N 4.77 0.81 -1.04 3.88 3.20 -1.56 -2.50 116.97 124.53 2x36 h TYR 939 Ca -0.34 0.03 0.28 0.00 3.14 0.00 0.00 58.73 61.85 2x36 h TYR 939 Cb 1.20 -0.23 -0.12 0.00 1.54 0.00 0.00 36.73 39.13 2x36 h TYR 939 CO 0.61 0.18 0.64 0.07 -1.64 0.00 0.00 178.16 178.03 2x36 h ARG 940 N 0.64 0.41 -0.32 1.82 0.11 -1.98 0.82 114.38 115.89 2x36 h ARG 940 Ca 0.49 -0.02 -0.01 0.00 0.10 0.00 0.00 59.98 60.53 2x36 h ARG 940 Cb 0.71 -0.09 -0.01 0.00 1.11 0.00 0.00 29.97 31.68 2x36 h ARG 940 CO -0.37 0.27 0.17 0.93 0.10 0.00 0.00 179.97 181.07 2x36 h GLU 941 N 0.43 0.44 -0.76 0.08 5.08 -1.87 -1.28 114.58 116.69 2x36 h GLU 941 Ca 0.66 -0.05 0.03 0.00 -1.00 0.00 0.00 59.36 59.00 2x36 h GLU 941 Cb 1.53 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 30.64 2x36 h GLU 941 CO -0.43 0.38 0.48 -0.84 -1.00 0.00 0.00 179.01 177.60 2x36 h ILE 942 N 0.39 1.10 -0.64 3.13 -0.00 0.51 -3.11 117.51 118.89 2x36 h ILE 942 Ca 0.11 -0.32 0.06 0.00 -0.00 0.00 0.00 64.86 64.71 2x36 h ILE 942 Cb 0.07 0.09 -0.05 0.00 -0.00 0.00 0.00 36.82 36.92 2x36 h ILE 942 CO -0.02 0.17 0.35 0.15 -0.00 0.00 0.00 178.15 178.80 2x36 h PHE 943 N 0.93 0.64 0.25 0.16 3.04 -0.33 -2.10 116.94 119.53 2x36 h PHE 943 Ca 0.31 0.02 0.01 0.00 3.98 0.00 0.00 57.97 62.29 2x36 h PHE 943 Cb 0.03 -0.19 -0.03 0.00 2.56 0.00 0.00 35.95 38.32 2x36 h PHE 943 CO -0.04 0.30 -0.35 -0.44 -2.02 0.00 0.00 178.31 175.77 2x36 h ASP 944 N 0.65 -0.98 -0.84 0.41 3.32 -1.42 -2.35 116.42 115.20 2x36 h ASP 944 Ca 0.29 0.10 0.16 0.00 0.02 0.00 0.00 57.03 57.60 2x36 h ASP 944 Cb 0.19 0.35 -0.10 0.00 0.22 0.00 0.00 39.33 39.99 2x36 h ASP 944 CO -0.18 -0.47 0.40 0.40 -1.72 0.00 0.00 179.24 177.67 2x36 h ILE 945 N -0.66 0.66 0.00 0.35 2.04 -1.33 -0.88 117.51 117.69 2x36 h ILE 945 Ca -0.00 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.67 2x36 h ILE 945 Cb 0.64 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.79 2x36 h ILE 945 CO -0.13 0.10 0.00 0.00 0.00 0.00 0.00 178.15 178.12 2x36 h ALA 946 N 1.59 1.00 -2.05 1.87 0.00 -1.39 -3.41 119.26 116.87 2x36 h ALA 946 Ca 0.47 0.00 -0.45 0.00 0.00 0.00 0.00 54.91 54.93 2x36 h ALA 946 Cb 0.74 0.00 -0.33 0.00 0.00 0.00 0.00 17.79 18.20 2x36 h ALA 946 CO -0.40 0.00 -0.80 -0.06 0.00 0.00 0.00 179.25 177.98 2x36 s PHE 947 N -3.28 0.20 -2.00 0.00 0.08 -0.34 -2.88 117.98 109.75 2x36 s PHE 947 Ca 0.06 -1.53 0.06 0.00 0.12 0.00 0.00 56.93 55.65 2x36 s PHE 947 Cb 0.08 -0.56 0.38 0.00 -0.57 0.00 0.00 43.02 42.34 2x36 s PHE 947 CO 0.60 -0.94 0.84 -2.30 -0.10 0.00 0.00 175.22 173.32