#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x36 s THR 760 N 0.00 1.01 1.03 3.34 -4.23 -1.26 -5.12 115.64 110.41 2x36 s THR 760 Ca 0.00 -0.59 -0.16 0.00 -1.18 0.00 0.00 61.69 59.76 2x36 s THR 760 Cb 0.00 -1.22 0.21 0.00 1.34 0.00 0.00 72.50 72.83 2x36 s THR 760 CO 0.00 0.09 1.19 -2.16 -0.54 0.00 0.00 174.62 173.20 2x36 s PRO 761 N 1.67 0.12 0.13 3.99 0.04 -1.26 -4.49 135.00 135.20 2x36 s PRO 761 Ca 0.01 -0.06 -0.34 0.00 0.04 0.00 0.00 61.00 60.65 2x36 s PRO 761 Cb -0.15 -1.75 -0.13 0.00 0.04 0.00 0.00 34.50 32.50 2x36 s PRO 761 CO -0.07 -2.82 1.64 -2.30 0.04 0.00 0.00 177.00 173.49 2x36 n PRO 762 N -4.13 2.22 -0.24 0.56 -0.02 -1.26 -2.78 135.00 129.36 2x36 n PRO 762 Ca 0.12 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.40 2x36 n PRO 762 Cb 0.59 -2.60 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 2x36 n PRO 762 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2x36 n GLY 763 N 3.63 0.88 2.99 -1.23 0.00 -1.26 -4.61 105.19 105.58 2x36 n GLY 763 Ca 0.18 -0.05 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.00 1.41 -0.00 1.61 1.01 -1.12 -1.23 120.40 120.08 2x36 s VAL 764 Ca 0.00 -0.53 0.03 0.00 0.00 0.00 0.00 61.98 61.48 2x36 s VAL 764 Cb 0.00 -1.35 -0.01 0.00 0.00 0.00 0.00 36.38 35.02 2x36 s VAL 764 CO 0.00 0.43 -0.11 -0.69 0.00 0.00 0.00 175.10 174.73 2x36 s VAL 765 N 1.54 0.86 -0.53 2.92 1.01 -0.29 -4.67 120.40 121.24 2x36 s VAL 765 Ca 0.05 -0.54 -0.27 0.00 0.00 0.00 0.00 61.98 61.21 2x36 s VAL 765 Cb -0.13 -0.73 0.03 0.00 0.00 0.00 0.00 36.38 35.55 2x36 s VAL 765 CO -0.10 0.19 1.08 -0.32 0.00 0.00 0.00 175.10 175.95 2x36 s MET 766 N -0.40 3.53 0.31 2.72 1.75 -1.26 -0.17 119.30 125.77 2x36 s MET 766 Ca 0.03 0.21 0.00 0.00 -1.25 0.00 0.00 55.69 54.69 2x36 s MET 766 Cb -0.05 -3.98 -0.04 0.00 2.84 0.00 0.00 34.83 33.61 2x36 s MET 766 CO -0.00 -1.49 0.50 0.20 -0.65 0.00 0.00 175.02 173.58 2x36 s GLY 767 N 2.69 1.43 -0.23 2.11 0.00 0.01 -1.50 107.32 111.84 2x36 s GLY 767 Ca 0.41 -0.91 0.00 0.00 0.00 0.00 0.00 44.72 44.22 2x36 s GLY 767 CO 0.26 -0.86 -0.12 1.08 0.00 0.00 0.00 173.10 173.47 2x36 s LEU 768 N -4.07 2.89 -0.03 0.66 2.01 -0.90 -1.51 118.68 117.73 2x36 s LEU 768 Ca 0.39 -0.91 0.01 0.00 0.01 0.00 0.00 54.13 53.64 2x36 s LEU 768 Cb -0.10 -1.58 -0.03 0.00 0.01 0.00 0.00 46.19 44.49 2x36 s LEU 768 CO 0.34 -0.10 -0.03 0.00 1.01 0.00 0.00 176.35 177.57 2x36 s ALA 769 N 1.27 3.17 -0.44 4.21 0.00 0.16 -4.79 121.76 125.34 2x36 s ALA 769 Ca -0.00 -0.93 -0.17 0.00 0.00 0.00 0.00 51.96 50.86 2x36 s ALA 769 Cb -0.16 -1.29 0.04 0.00 0.00 0.00 0.00 23.12 21.70 2x36 s ALA 769 CO -0.07 0.62 0.44 -0.46 0.00 0.00 0.00 175.76 176.28 2x36 s TRP 770 N -0.98 3.18 0.34 0.00 -0.00 -1.26 -0.78 118.94 119.43 2x36 s TRP 770 Ca 0.17 -0.54 0.04 0.00 -0.00 0.00 0.00 56.10 55.76 2x36 s TRP 770 Cb -0.11 -3.01 0.06 0.00 -0.00 0.00 0.00 33.47 30.41 2x36 s TRP 770 CO 0.07 -0.76 0.47 0.25 -0.00 0.00 0.00 176.95 176.98 2x36 n THR 771 N 5.38 0.00 0.48 5.86 -2.24 0.24 -1.75 114.28 122.25 2x36 n THR 771 Ca -0.09 -0.99 0.13 0.00 -2.27 0.00 0.00 64.05 60.83 2x36 n THR 771 Cb 0.46 -0.85 0.41 0.00 -2.10 0.00 0.00 70.33 68.25 2x36 n THR 771 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2x36 h ALA 772 N 0.04 1.00 0.00 6.98 0.00 -1.95 -3.01 119.26 122.32 2x36 h ALA 772 Ca -0.16 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 2x36 h ALA 772 Cb 0.67 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 18.34 2x36 h ALA 772 CO 0.20 0.00 -0.65 0.00 0.00 0.00 0.00 179.25 178.81 2x36 n MET 773 N -2.45 0.09 0.00 0.00 0.00 -1.26 -5.09 117.12 108.40 2x36 n MET 773 Ca 0.04 -1.43 0.00 0.00 0.00 0.00 0.00 57.70 56.31 2x36 n MET 773 Cb 0.39 -0.41 0.00 0.00 0.00 0.00 0.00 33.22 33.20 2x36 n MET 773 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2x36 n GLY 774 N 0.07 -0.19 3.53 3.17 0.00 -1.14 -5.14 105.19 105.49 2x36 n GLY 774 Ca 0.03 -0.27 -0.10 0.00 0.00 0.00 0.00 46.02 45.68 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 0.00 -0.49 0.15 -0.02 0.00 -1.26 -0.59 107.32 105.11 2x36 s GLY 775 Ca 0.00 0.38 -0.07 0.00 0.00 0.00 0.00 44.72 45.03 2x36 s GLY 775 CO 0.00 0.13 0.23 -0.56 0.00 0.00 0.00 173.10 172.89 2x36 s SER 776 N -2.76 0.11 -0.43 1.64 0.01 0.04 -4.71 113.70 107.59 2x36 s SER 776 Ca 0.04 -0.91 0.03 0.00 1.31 0.00 0.00 55.95 56.41 2x36 s SER 776 Cb -0.02 0.40 0.12 0.00 0.21 0.00 0.00 66.02 66.73 2x36 s SER 776 CO -0.08 -0.84 0.20 -0.89 0.41 0.00 0.00 173.24 172.03 2x36 s THR 777 N -3.97 1.88 0.08 1.44 2.01 -1.26 -0.66 115.64 115.15 2x36 s THR 777 Ca 0.17 -2.63 0.04 0.00 0.31 0.00 0.00 61.69 59.59 2x36 s THR 777 Cb 0.04 -2.33 -0.04 0.00 0.01 0.00 0.00 72.50 70.18 2x36 s THR 777 CO -0.01 -0.79 0.01 -1.48 -0.69 0.00 0.00 174.62 171.66 2x36 s LEU 778 N 0.39 3.50 -0.20 4.42 0.05 -0.57 -4.94 118.68 121.33 2x36 s LEU 778 Ca 0.15 -0.14 -0.14 0.00 0.05 0.00 0.00 54.13 54.05 2x36 s LEU 778 Cb -0.23 -2.20 -0.04 0.00 -2.05 0.00 0.00 46.19 41.67 2x36 s LEU 778 CO -0.04 0.19 0.32 -0.36 -0.55 0.00 0.00 176.35 175.90 2x36 s PHE 779 N -1.29 3.38 -0.12 3.48 0.08 -1.26 -0.81 117.98 121.43 2x36 s PHE 779 Ca 0.25 0.51 -0.15 0.00 0.12 0.00 0.00 56.93 57.67 2x36 s PHE 779 Cb -0.12 -2.43 -0.05 0.00 -0.57 0.00 0.00 43.02 39.86 2x36 s PHE 779 CO 0.18 0.06 0.36 0.08 -0.10 0.00 0.00 175.22 175.79 2x36 s VAL 780 N 1.08 5.24 -0.02 -0.44 1.01 0.75 -4.28 120.40 123.74 2x36 s VAL 780 Ca 0.16 0.70 0.02 0.00 0.00 0.00 0.00 61.98 62.85 2x36 s VAL 780 Cb -0.14 -3.69 0.00 0.00 0.00 0.00 0.00 36.38 32.55 2x36 s VAL 780 CO 0.06 0.41 -0.08 -1.61 0.00 0.00 0.00 175.10 173.88 2x36 s GLU 781 N 0.21 0.88 -0.02 2.72 2.02 -0.75 -1.13 118.70 122.63 2x36 s GLU 781 Ca 0.20 -0.28 0.01 0.00 0.02 0.00 0.00 54.97 54.92 2x36 s GLU 781 Cb -0.14 -0.83 0.01 0.00 0.10 0.00 0.00 34.13 33.26 2x36 s GLU 781 CO 0.07 0.11 -0.04 0.95 0.02 0.00 0.00 175.26 176.37 2x36 s THR 782 N 0.18 0.39 0.17 3.63 -4.23 -0.37 -0.22 115.64 115.20 2x36 s THR 782 Ca -0.03 -0.15 0.04 0.00 -1.18 0.00 0.00 61.69 60.37 2x36 s THR 782 Cb -0.08 -0.37 -0.05 0.00 1.34 0.00 0.00 72.50 73.34 2x36 s THR 782 CO 0.00 0.14 -0.06 -0.94 -0.54 0.00 0.00 174.62 173.22 2x36 s SER 783 N 0.27 1.73 0.53 3.99 1.04 -1.10 -4.70 113.70 115.47 2x36 s SER 783 Ca -0.03 -1.09 -0.19 0.00 0.48 0.00 0.00 55.95 55.13 2x36 s SER 783 Cb -0.06 0.01 -0.06 0.00 0.10 0.00 0.00 66.02 66.00 2x36 s SER 783 CO -0.00 -0.41 1.07 -0.22 0.98 0.00 0.00 173.24 174.66 2x36 s LEU 784 N -3.20 3.72 0.00 2.42 2.96 -1.26 -2.07 118.68 121.24 2x36 s LEU 784 Ca 0.21 1.97 0.00 0.00 -0.22 0.00 0.00 54.13 56.08 2x36 s LEU 784 Cb 0.04 -4.56 0.00 0.00 0.50 0.00 0.00 46.19 42.17 2x36 s LEU 784 CO 0.03 -1.02 0.00 -1.14 -1.32 0.00 0.00 176.35 172.90 2x36 n ARG 785 N -1.36 0.00 0.00 1.98 0.63 0.11 -4.80 116.66 113.22 2x36 n ARG 785 Ca 0.10 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.03 2x36 n ARG 785 Cb 0.52 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.43 2x36 n ARG 785 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 2x36 n ASP 797 N 0.00 0.00 -1.14 6.15 9.92 -1.26 -4.64 116.55 125.58 2x36 n ASP 797 Ca 0.00 0.00 -0.01 0.00 -0.53 0.00 0.00 54.79 54.25 2x36 n ASP 797 Cb 0.00 0.00 -0.00 0.00 -0.64 0.00 0.00 41.12 40.48 2x36 n ASP 797 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2x36 n GLY 798 N 0.00 3.50 3.40 0.44 0.00 -0.98 -4.66 105.19 106.89 2x36 n GLY 798 Ca 0.00 -1.53 -0.11 0.00 0.00 0.00 0.00 46.02 44.38 2x36 n GLY 798 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2x36 s SER 799 N -1.15 -0.35 0.10 1.61 1.04 -1.11 -4.95 113.70 108.89 2x36 s SER 799 Ca 0.02 -0.26 0.06 0.00 0.48 0.00 0.00 55.95 56.26 2x36 s SER 799 Cb 0.00 0.54 -0.04 0.00 0.10 0.00 0.00 66.02 66.62 2x36 s SER 799 CO 0.02 -0.94 -0.05 -0.22 0.98 0.00 0.00 173.24 173.02 2x36 s LEU 800 N -2.80 3.24 -0.13 2.42 2.96 -1.26 0.36 118.68 123.46 2x36 s LEU 800 Ca 0.04 -0.30 -0.06 0.00 -0.22 0.00 0.00 54.13 53.59 2x36 s LEU 800 Cb 0.00 -2.00 0.06 0.00 0.50 0.00 0.00 46.19 44.75 2x36 s LEU 800 CO -0.10 0.17 0.30 -0.70 -1.32 0.00 0.00 176.35 174.70 2x36 s GLU 801 N -2.31 0.25 -0.11 1.98 2.56 -0.27 -4.91 118.70 115.88 2x36 s GLU 801 Ca 0.24 0.66 0.02 0.00 0.00 0.00 0.00 54.97 55.89 2x36 s GLU 801 Cb -0.11 -0.05 -0.01 0.00 2.00 0.00 0.00 34.13 35.96 2x36 s GLU 801 CO 0.16 -0.19 -0.20 0.08 -0.56 0.00 0.00 175.26 174.55 2x36 s VAL 802 N 1.60 2.46 0.43 3.70 1.01 -1.26 -1.33 120.40 127.00 2x36 s VAL 802 Ca -0.07 -0.88 0.08 0.00 0.00 0.00 0.00 61.98 61.11 2x36 s VAL 802 Cb -0.10 -1.98 -0.02 0.00 0.00 0.00 0.00 36.38 34.28 2x36 s VAL 802 CO -0.10 0.55 0.38 0.42 0.00 0.00 0.00 175.10 176.34 2x36 s THR 803 N 0.35 2.56 0.00 3.92 -4.23 -0.32 -4.68 115.64 113.23 2x36 s THR 803 Ca -0.16 -1.37 0.00 0.00 -1.18 0.00 0.00 61.69 58.98 2x36 s THR 803 Cb -0.17 -2.93 0.00 0.00 1.34 0.00 0.00 72.50 70.74 2x36 s THR 803 CO 0.08 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.77 2x36 n GLY 804 N -1.56 1.85 3.45 3.99 0.00 -1.26 -2.76 105.19 108.90 2x36 n GLY 804 Ca 0.03 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.83 2x36 n GLY 804 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2x36 n GLN 805 N -0.22 -2.12 -3.00 1.61 7.27 -1.26 -4.66 117.38 115.00 2x36 n GLN 805 Ca 0.00 0.70 -0.18 0.00 0.07 0.00 0.00 57.00 57.58 2x36 n GLN 805 Cb 0.00 -5.14 0.03 0.00 2.41 0.00 0.00 30.24 27.54 2x36 n GLN 805 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 2x36 s LEU 806 N -5.91 3.42 0.00 1.69 2.01 -1.26 -5.10 118.68 113.53 2x36 s LEU 806 Ca 0.43 -0.57 -0.17 0.00 0.01 0.00 0.00 54.13 53.82 2x36 s LEU 806 Cb -0.10 -2.26 0.26 0.00 0.01 0.00 0.00 46.19 44.11 2x36 s LEU 806 CO 0.79 -1.02 0.86 0.61 1.01 0.00 0.00 176.35 178.60 2x36 n GLY 807 N -2.04 -2.93 0.34 -3.19 0.00 -1.26 -4.75 105.19 91.37 2x36 n GLY 807 Ca 0.11 -1.45 0.03 0.00 0.00 0.00 0.00 46.02 44.71 2x36 n GLY 807 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2x36 h GLU 808 N 0.00 0.84 0.07 1.61 5.08 -1.99 -2.43 114.58 117.76 2x36 h GLU 808 Ca -0.33 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 57.97 2x36 h GLU 808 Cb 1.03 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.10 2x36 h GLU 808 CO 0.21 0.56 -0.03 0.28 -1.00 0.00 0.00 179.01 179.03 2x36 h VAL 809 N 0.87 1.21 -0.30 3.13 2.07 -1.93 0.16 116.25 121.45 2x36 h VAL 809 Ca 0.27 -1.15 0.06 0.00 0.82 0.00 0.00 66.70 66.70 2x36 h VAL 809 Cb 0.01 1.94 -0.06 0.00 -1.52 0.00 0.00 31.29 31.67 2x36 h VAL 809 CO -0.07 0.28 -0.07 0.24 0.02 0.00 0.00 177.57 177.96 2x36 h MET 810 N -0.63 0.00 -0.60 1.57 2.86 -1.84 0.28 114.93 116.58 2x36 h MET 810 Ca -0.01 -0.00 0.09 0.00 -2.06 0.00 0.00 59.70 57.72 2x36 h MET 810 Cb 0.53 -0.00 -0.07 0.00 0.06 0.00 0.00 31.60 32.12 2x36 h MET 810 CO 0.02 0.00 0.23 0.87 1.06 0.00 0.00 176.91 179.09 2x36 h LYS 811 N 0.00 0.41 0.00 1.72 1.57 -1.25 -1.00 116.57 118.03 2x36 h LYS 811 Ca 0.15 -0.02 -0.11 0.00 -1.87 0.00 0.00 60.65 58.79 2x36 h LYS 811 Cb 0.22 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 2x36 h LYS 811 CO -0.31 0.27 -0.53 1.49 -0.57 0.00 0.00 179.45 179.81 2x36 h GLU 812 N 0.43 0.00 -0.25 3.15 4.57 -0.16 -2.78 114.58 119.53 2x36 h GLU 812 Ca 0.30 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.41 2x36 h GLU 812 Cb 0.35 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.92 2x36 h GLU 812 CO -0.29 0.53 -0.14 1.03 -1.18 0.00 0.00 179.01 178.95 2x36 h SER 813 N 0.00 0.40 -0.62 1.04 0.87 0.65 -2.09 113.55 113.80 2x36 h SER 813 Ca -0.01 -0.10 0.04 0.00 -1.23 0.00 0.00 61.79 60.49 2x36 h SER 813 Cb 1.04 -0.11 -0.04 0.00 -0.44 0.00 0.00 62.40 62.85 2x36 h SER 813 CO 0.07 0.58 0.37 0.00 -0.53 0.00 0.00 176.83 177.31 2x36 h ALA 814 N 1.47 0.81 -0.67 6.23 0.00 -1.07 -2.32 119.26 123.70 2x36 h ALA 814 Ca 0.07 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 2x36 h ALA 814 Cb 0.49 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 2x36 h ALA 814 CO 0.03 0.08 0.24 0.00 0.00 0.00 0.00 179.25 179.60 2x36 h ARG 815 N 0.71 1.01 0.06 0.00 3.08 -1.19 0.71 114.38 118.76 2x36 h ARG 815 Ca 0.26 -0.19 -0.00 0.00 0.07 0.00 0.00 59.98 60.12 2x36 h ARG 815 Cb 0.07 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 29.96 2x36 h ARG 815 CO -0.13 0.84 -0.03 0.82 -1.07 0.00 0.00 179.97 180.41 2x36 h ILE 816 N 0.98 1.03 -0.58 2.04 2.04 -1.36 0.13 117.51 121.79 2x36 h ILE 816 Ca 0.22 -0.27 -0.00 0.00 1.00 0.00 0.00 64.86 65.81 2x36 h ILE 816 Cb 0.23 1.21 -0.03 0.00 -0.74 0.00 0.00 36.82 37.49 2x36 h ILE 816 CO -0.01 0.07 0.35 0.00 0.00 0.00 0.00 178.15 178.55 2x36 h ALA 817 N 0.75 0.74 0.01 1.87 0.00 -1.15 0.74 119.26 122.22 2x36 h ALA 817 Ca -0.01 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.85 2x36 h ALA 817 Cb 0.17 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 2x36 h ALA 817 CO 0.01 0.23 -0.22 -0.92 0.00 0.00 0.00 179.25 178.35 2x36 h TYR 818 N 0.78 -0.57 -0.60 0.00 -0.00 -0.79 0.77 116.97 116.56 2x36 h TYR 818 Ca 0.21 0.02 -0.03 0.00 -0.00 0.00 0.00 58.73 58.93 2x36 h TYR 818 Cb -0.01 0.25 -0.03 0.00 -0.00 0.00 0.00 36.73 36.95 2x36 h TYR 818 CO -0.02 -0.30 0.27 1.15 -0.00 0.00 0.00 178.16 179.25 2x36 h THR 819 N -0.35 1.22 -0.14 1.81 2.02 0.23 -2.00 112.91 115.70 2x36 h THR 819 Ca 0.06 -0.65 -0.20 0.00 0.77 0.00 0.00 66.41 66.39 2x36 h THR 819 Cb 0.42 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 67.37 2x36 h THR 819 CO -0.19 0.26 -0.71 0.15 0.37 0.00 0.00 175.52 175.40 2x36 h PHE 820 N 0.82 0.82 -0.02 3.16 3.04 0.69 -2.31 116.94 123.14 2x36 h PHE 820 Ca 0.20 -0.35 -0.03 0.00 3.98 0.00 0.00 57.97 61.78 2x36 h PHE 820 Cb 0.16 -0.13 -0.00 0.00 2.56 0.00 0.00 35.95 38.53 2x36 h PHE 820 CO 0.00 1.14 -0.13 0.00 -2.02 0.00 0.00 178.31 177.30 2x36 h ALA 821 N 0.77 1.75 -0.04 2.41 0.00 0.69 0.32 119.26 125.17 2x36 h ALA 821 Ca -0.03 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 2x36 h ALA 821 Cb 1.31 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2x36 h ALA 821 CO 0.14 0.19 -0.26 0.00 0.00 0.00 0.00 179.25 179.31 2x36 h ARG 822 N 0.02 0.24 -0.32 0.00 3.08 -1.27 -1.20 114.38 114.94 2x36 h ARG 822 Ca 0.00 -0.21 0.06 0.00 0.07 0.00 0.00 59.98 59.90 2x36 h ARG 822 Cb 0.25 0.05 -0.06 0.00 0.08 0.00 0.00 29.97 30.29 2x36 h ARG 822 CO 0.02 0.88 -0.08 0.00 -1.07 0.00 0.00 179.97 179.72 2x36 h ALA 823 N 0.36 0.21 -0.89 0.04 0.00 -1.23 -1.79 119.26 115.97 2x36 h ALA 823 Ca -0.02 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2x36 h ALA 823 Cb 0.95 0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.93 2x36 h ALA 823 CO 0.05 -0.46 0.51 0.35 0.00 0.00 0.00 179.25 179.71 2x36 h PHE 824 N 0.00 1.20 -0.03 0.00 3.04 -0.33 -2.46 116.94 118.37 2x36 h PHE 824 Ca 0.15 -0.02 -0.14 0.00 3.98 0.00 0.00 57.97 61.94 2x36 h PHE 824 Cb 0.23 -0.39 -0.02 0.00 2.56 0.00 0.00 35.95 38.34 2x36 h PHE 824 CO -0.30 0.81 -0.64 1.25 -2.02 0.00 0.00 178.31 177.42 2x36 h LEU 825 N 1.24 0.13 -0.10 0.59 5.85 -1.20 -2.34 115.31 119.47 2x36 h LEU 825 Ca 0.32 -0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.99 2x36 h LEU 825 Cb -0.01 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 2x36 h LEU 825 CO -0.06 0.73 -0.09 -0.03 -0.34 0.00 0.00 178.44 178.65 2x36 h MET 826 N 0.08 -0.11 -0.56 1.25 4.05 -0.88 0.15 114.93 118.91 2x36 h MET 826 Ca -0.01 0.01 -0.08 0.00 -0.28 0.00 0.00 59.70 59.34 2x36 h MET 826 Cb 1.14 0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 31.94 2x36 h MET 826 CO 0.09 -0.07 0.02 0.37 0.23 0.00 0.00 176.91 177.55 2x36 h GLN 827 N -0.11 0.94 0.06 0.39 5.75 -1.19 -2.78 115.11 118.18 2x36 h GLN 827 Ca 0.07 -0.27 -0.37 0.00 -0.15 0.00 0.00 58.65 57.93 2x36 h GLN 827 Cb 0.21 -0.10 -0.04 0.00 1.07 0.00 0.00 27.48 28.62 2x36 h GLN 827 CO -0.17 0.92 -2.21 1.58 -2.65 0.00 0.00 178.83 176.30 2x36 n HIS 828 N -4.20 0.63 -3.35 3.99 -0.00 -0.91 -4.73 115.22 106.66 2x36 n HIS 828 Ca 0.03 0.14 -0.26 0.00 0.46 0.00 0.00 57.72 58.09 2x36 n HIS 828 Cb 0.32 -1.09 -0.09 0.00 -0.12 0.00 0.00 29.99 29.01 2x36 n HIS 828 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2x36 n ALA 829 N -3.08 2.82 -0.11 1.57 0.00 0.51 -5.01 120.51 117.20 2x36 n ALA 829 Ca -0.37 -3.46 0.02 0.00 0.00 0.00 0.00 53.44 49.62 2x36 n ALA 829 Cb 1.03 -0.81 0.32 0.00 0.00 0.00 0.00 19.45 19.99 2x36 n ALA 829 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2x36 h PRO 830 N 4.82 0.77 0.00 0.00 0.13 -1.55 -1.90 132.00 134.27 2x36 h PRO 830 Ca 0.17 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 2x36 h PRO 830 Cb 0.87 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 31.83 2x36 h PRO 830 CO 0.47 0.53 0.00 0.00 -0.23 0.00 0.00 178.00 178.77 2x36 n ALA 831 N -2.45 2.38 -2.61 -0.56 0.00 -1.26 -4.64 120.51 111.37 2x36 n ALA 831 Ca 0.05 -0.14 -0.42 0.00 0.00 0.00 0.00 53.44 52.94 2x36 n ALA 831 Cb 0.06 -1.43 -0.05 0.00 0.00 0.00 0.00 19.45 18.04 2x36 n ALA 831 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2x36 s ASN 832 N -2.38 6.66 -0.08 0.00 3.84 -0.71 -4.96 114.94 117.30 2x36 s ASN 832 Ca 0.30 0.63 0.15 0.00 0.21 0.00 0.00 52.86 54.15 2x36 s ASN 832 Cb 0.18 -2.42 0.49 0.00 -0.55 0.00 0.00 41.25 38.95 2x36 s ASN 832 CO 0.37 -0.67 1.41 -0.90 -2.79 0.00 0.00 177.10 174.52 2x36 n ASP 833 N 6.32 3.70 -0.09 -4.21 5.75 -1.26 -4.72 116.55 122.04 2x36 n ASP 833 Ca 0.04 -2.39 -0.09 0.00 -0.01 0.00 0.00 54.79 52.35 2x36 n ASP 833 Cb 0.48 -0.42 -0.01 0.00 -1.03 0.00 0.00 41.12 40.14 2x36 n ASP 833 CO 0.00 0.00 0.00 0.22 -0.11 0.00 0.00 177.20 177.31 2x36 h TYR 834 N 2.59 0.35 0.00 2.11 3.20 -1.93 0.22 116.97 123.52 2x36 h TYR 834 Ca 0.00 0.01 -0.11 0.00 3.14 0.00 0.00 58.73 61.77 2x36 h TYR 834 Cb 1.12 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 39.26 2x36 h TYR 834 CO 0.45 0.21 -0.54 -0.07 -1.64 0.00 0.00 178.16 176.57 2x36 h LEU 835 N 0.38 0.00 0.00 2.82 4.07 -1.91 0.14 115.31 120.81 2x36 h LEU 835 Ca 0.12 0.00 -0.11 0.00 0.08 0.00 0.00 57.88 57.96 2x36 h LEU 835 Cb -0.02 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.70 2x36 h LEU 835 CO -0.04 0.54 -0.70 0.58 -1.08 0.00 0.00 178.44 177.74 2x36 h VAL 836 N 0.00 0.73 0.00 1.22 2.07 -1.74 -3.40 116.25 115.13 2x36 h VAL 836 Ca -0.01 -2.09 -0.24 0.00 0.82 0.00 0.00 66.70 65.19 2x36 h VAL 836 Cb 1.22 2.29 -0.04 0.00 -1.52 0.00 0.00 31.29 33.24 2x36 h VAL 836 CO 0.07 0.41 -1.90 0.35 0.02 0.00 0.00 177.57 176.52 2x36 n THR 837 N -3.13 0.90 -2.49 2.57 -2.24 0.01 -2.33 114.28 107.58 2x36 n THR 837 Ca -0.00 -0.48 -0.38 0.00 -2.27 0.00 0.00 64.05 60.92 2x36 n THR 837 Cb 0.74 -0.82 -0.04 0.00 -2.10 0.00 0.00 70.33 68.12 2x36 n THR 837 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2x36 s SER 838 N -4.95 6.87 -0.09 3.42 0.01 0.49 -3.57 113.70 115.87 2x36 s SER 838 Ca -0.12 2.15 -0.19 0.00 1.31 0.00 0.00 55.95 59.10 2x36 s SER 838 Cb 0.05 -2.60 -0.04 0.00 0.21 0.00 0.00 66.02 63.63 2x36 s SER 838 CO 0.47 -0.42 0.52 -1.00 0.41 0.00 0.00 173.24 173.22 2x36 s HIS 839 N -1.47 3.56 0.01 2.43 3.76 -1.26 -2.75 115.29 119.57 2x36 s HIS 839 Ca 0.54 0.99 0.05 0.00 -0.15 0.00 0.00 55.06 56.48 2x36 s HIS 839 Cb -0.26 -2.57 -0.02 0.00 1.11 0.00 0.00 32.58 30.84 2x36 s HIS 839 CO 0.33 0.22 -0.15 0.42 -0.85 0.00 0.00 174.74 174.71 2x36 s ILE 840 N 0.40 1.16 -0.24 0.60 1.01 0.16 0.06 121.20 124.35 2x36 s ILE 840 Ca 0.28 -0.81 -0.10 0.00 0.00 0.00 0.00 60.65 60.03 2x36 s ILE 840 Cb -0.16 -1.01 -0.05 0.00 0.01 0.00 0.00 42.46 41.26 2x36 s ILE 840 CO 0.12 0.19 0.14 -2.28 0.00 0.00 0.00 174.94 173.11 2x36 s HIS 841 N -0.57 3.26 -0.23 3.97 5.65 -0.88 -1.12 115.29 125.37 2x36 s HIS 841 Ca 0.04 0.10 -0.04 0.00 0.25 0.00 0.00 55.06 55.40 2x36 s HIS 841 Cb -0.07 -2.25 -0.00 0.00 -1.18 0.00 0.00 32.58 29.08 2x36 s HIS 841 CO 0.00 -0.01 -0.02 -1.17 -0.65 0.00 0.00 174.74 172.89 2x36 s LEU 842 N 1.14 3.08 -0.31 8.88 0.20 -0.44 -2.69 118.68 128.54 2x36 s LEU 842 Ca 0.07 -0.46 -0.08 0.00 0.69 0.00 0.00 54.13 54.35 2x36 s LEU 842 Cb -0.14 -1.76 0.01 0.00 -0.43 0.00 0.00 46.19 43.87 2x36 s LEU 842 CO 0.05 -0.05 0.10 -2.28 -0.29 0.00 0.00 176.35 173.88 2x36 s HIS 843 N 1.48 3.17 -0.37 5.38 5.65 0.69 -1.17 115.29 130.11 2x36 s HIS 843 Ca 0.05 -0.92 -0.10 0.00 0.25 0.00 0.00 55.06 54.34 2x36 s HIS 843 Cb -0.15 -2.29 0.04 0.00 -1.18 0.00 0.00 32.58 29.00 2x36 s HIS 843 CO -0.02 -0.57 0.20 0.08 -0.65 0.00 0.00 174.74 173.78 2x36 s VAL 844 N 1.52 4.41 0.45 0.89 1.01 -1.11 -1.80 120.40 125.77 2x36 s VAL 844 Ca 0.03 -0.97 -0.25 0.00 0.00 0.00 0.00 61.98 60.79 2x36 s VAL 844 Cb -0.17 -3.50 -0.08 0.00 0.00 0.00 0.00 36.38 32.63 2x36 s VAL 844 CO 0.03 -0.26 1.34 -2.84 0.00 0.00 0.00 175.10 173.38 2x36 s PRO 845 N 1.52 3.69 0.70 2.72 0.02 -1.26 -4.21 135.00 138.18 2x36 s PRO 845 Ca 0.01 2.23 -0.14 0.00 0.02 0.00 0.00 61.00 63.12 2x36 s PRO 845 Cb -0.20 -2.60 0.02 0.00 0.02 0.00 0.00 34.50 31.75 2x36 s PRO 845 CO 0.06 -0.74 1.13 -2.00 -0.33 0.00 0.00 177.00 175.12 2x36 s GLU 846 N -2.48 2.51 0.00 5.54 2.12 -1.26 -4.58 118.70 120.55 2x36 s GLU 846 Ca 0.62 1.47 0.00 0.00 0.36 0.00 0.00 54.97 57.42 2x36 s GLU 846 Cb -0.40 -1.91 0.00 0.00 0.26 0.00 0.00 34.13 32.09 2x36 s GLU 846 CO 0.50 -1.49 0.00 0.41 -0.54 0.00 0.00 175.26 174.14 2x36 n GLY 847 N -0.31 3.39 3.77 -1.50 0.00 -1.26 -5.09 105.19 104.19 2x36 n GLY 847 Ca 0.11 -0.48 -0.40 0.00 0.00 0.00 0.00 46.02 45.25 2x36 n GLY 847 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x36 s ALA 848 N 0.00 3.38 0.57 4.61 0.00 -1.26 -4.34 121.76 124.72 2x36 s ALA 848 Ca 0.00 1.20 -0.20 0.00 0.00 0.00 0.00 51.96 52.96 2x36 s ALA 848 Cb 0.00 -3.46 -0.04 0.00 0.00 0.00 0.00 23.12 19.62 2x36 s ALA 848 CO 0.00 -0.66 1.23 0.95 0.00 0.00 0.00 175.76 177.28 2x36 s THR 849 N -1.21 2.56 0.31 0.00 -4.23 -0.72 -4.88 115.64 107.48 2x36 s THR 849 Ca 0.52 0.37 0.08 0.00 -1.18 0.00 0.00 61.69 61.48 2x36 s THR 849 Cb -0.38 -3.16 0.32 0.00 1.34 0.00 0.00 72.50 70.62 2x36 s THR 849 CO 0.49 -0.06 1.66 -0.65 -0.54 0.00 0.00 174.62 175.52 2x36 h PRO 850 N 1.10 0.26 -0.64 3.99 0.11 -1.93 0.28 132.00 135.17 2x36 h PRO 850 Ca -0.50 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2x36 h PRO 850 Cb 1.29 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2x36 h PRO 850 CO 0.56 0.17 0.00 1.63 -0.21 0.00 0.00 178.00 180.15 2x36 n LYS 851 N -5.14 3.37 0.00 1.05 4.76 -1.26 -1.84 118.16 119.09 2x36 n LYS 851 Ca 0.26 -2.50 0.12 0.00 -2.87 0.00 0.00 58.31 53.31 2x36 n LYS 851 Cb 0.81 -1.81 0.11 0.00 -1.84 0.00 0.00 35.03 32.31 2x36 n LYS 851 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2x36 n ASP 852 N 0.99 1.95 -0.24 4.39 4.64 0.93 -4.87 116.55 124.33 2x36 n ASP 852 Ca 0.23 -1.47 -0.06 0.00 -1.38 0.00 0.00 54.79 52.11 2x36 n ASP 852 Cb 0.79 0.32 -0.06 0.00 -1.04 0.00 0.00 41.12 41.13 2x36 n ASP 852 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 2x36 n GLY 853 N 1.38 -1.93 0.00 0.27 0.00 -0.77 -1.99 105.19 102.15 2x36 n GLY 853 Ca 0.11 0.77 0.09 0.00 0.00 0.00 0.00 46.02 46.99 2x36 n GLY 853 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2x36 n PRO 854 N -4.48 0.31 0.00 1.61 -0.02 -1.26 -3.54 135.00 127.62 2x36 n PRO 854 Ca 0.01 0.10 0.16 0.00 -2.02 0.00 0.00 63.50 61.75 2x36 n PRO 854 Cb 0.15 -1.50 0.90 0.00 -0.02 0.00 0.00 33.50 33.03 2x36 n PRO 854 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2x36 n SER 855 N -1.23 0.17 -0.51 2.55 3.41 -0.84 -2.10 113.62 115.07 2x36 n SER 855 Ca 0.09 -1.03 0.08 0.00 -0.26 0.00 0.00 58.87 57.75 2x36 n SER 855 Cb 0.12 -0.01 0.27 0.00 -0.26 0.00 0.00 64.21 64.34 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 -0.88 2.49 -0.02 7.33 0.00 -1.23 -0.09 120.51 128.11 2x36 n ALA 856 Ca 0.23 -0.49 -0.11 0.00 0.00 0.00 0.00 53.44 53.07 2x36 n ALA 856 Cb 0.14 -1.05 -0.05 0.00 0.00 0.00 0.00 19.45 18.48 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 5.21 0.19 1.13 0.00 0.00 -1.38 -1.92 103.07 106.30 2x36 h GLY 857 Ca 0.00 -0.09 0.04 0.00 0.00 0.00 0.00 47.33 47.28 2x36 h GLY 857 CO 0.00 0.09 0.49 0.00 0.00 0.00 0.00 176.54 177.12 2x36 h THR 859 N 0.87 1.30 -0.38 0.00 2.02 -1.74 -2.80 112.91 112.18 2x36 h THR 859 Ca 0.30 -1.14 -0.05 0.00 0.77 0.00 0.00 66.41 66.30 2x36 h THR 859 Cb 0.11 1.62 -0.01 0.00 -1.74 0.00 0.00 68.15 68.12 2x36 h THR 859 CO -0.09 0.34 0.05 0.40 0.37 0.00 0.00 175.52 176.59 2x36 h ILE 860 N 0.12 1.24 -0.39 3.11 2.04 -1.27 -2.23 117.51 120.13 2x36 h ILE 860 Ca 0.05 -0.88 0.08 0.00 1.00 0.00 0.00 64.86 65.11 2x36 h ILE 860 Cb 0.57 1.08 -0.09 0.00 -0.74 0.00 0.00 36.82 37.65 2x36 h ILE 860 CO 0.03 0.30 -0.23 0.58 0.00 0.00 0.00 178.15 178.82 2x36 h VAL 861 N 0.47 0.36 -0.65 1.67 2.07 -1.38 -1.55 116.25 117.25 2x36 h VAL 861 Ca 0.11 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.66 2x36 h VAL 861 Cb 0.38 0.36 -0.03 0.00 -1.52 0.00 0.00 31.29 30.48 2x36 h VAL 861 CO 0.01 0.00 0.43 0.74 0.02 0.00 0.00 177.57 178.77 2x36 h THR 862 N -0.17 1.12 -0.43 2.57 2.02 -1.37 -1.95 112.91 114.70 2x36 h THR 862 Ca 0.19 -0.28 -0.12 0.00 0.77 0.00 0.00 66.41 66.96 2x36 h THR 862 Cb 0.46 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 67.09 2x36 h THR 862 CO -0.49 0.15 -0.21 0.00 0.37 0.00 0.00 175.52 175.34 2x36 h ALA 863 N 1.61 0.61 -0.59 6.16 0.00 -0.68 0.16 119.26 126.53 2x36 h ALA 863 Ca 0.25 -0.38 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 2x36 h ALA 863 Cb -0.00 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2x36 h ALA 863 CO -0.06 0.58 0.07 -0.07 0.00 0.00 0.00 179.25 179.77 2x36 h LEU 864 N 0.74 0.96 -0.23 0.00 3.38 -1.20 -1.50 115.31 117.47 2x36 h LEU 864 Ca 0.10 -0.27 -0.09 0.00 0.09 0.00 0.00 57.88 57.70 2x36 h LEU 864 Cb 0.78 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 2x36 h LEU 864 CO 0.06 1.00 -0.21 -0.07 0.09 0.00 0.00 178.44 179.32 2x36 h LEU 865 N 0.90 0.57 -0.55 1.67 3.38 -1.23 0.73 115.31 120.78 2x36 h LEU 865 Ca 0.18 -0.47 0.11 0.00 0.09 0.00 0.00 57.88 57.79 2x36 h LEU 865 Cb 0.46 -0.16 -0.11 0.00 0.09 0.00 0.00 40.66 40.94 2x36 h LEU 865 CO 0.02 0.92 -0.21 -1.28 0.09 0.00 0.00 178.44 177.98 2x36 h SER 866 N 0.23 -0.73 0.32 -0.43 0.87 -0.95 -0.54 113.55 112.31 2x36 h SER 866 Ca 0.04 0.19 -0.02 0.00 -1.23 0.00 0.00 61.79 60.77 2x36 h SER 866 Cb 0.75 0.42 0.00 0.00 -0.44 0.00 0.00 62.40 63.13 2x36 h SER 866 CO 0.05 -0.24 -0.15 0.25 -0.53 0.00 0.00 176.83 176.21 2x36 h LEU 867 N -0.08 -0.36 -1.89 2.23 5.85 -1.12 -2.28 115.31 117.66 2x36 h LEU 867 Ca 0.25 -0.14 0.26 0.00 0.84 0.00 0.00 57.88 59.09 2x36 h LEU 867 Cb 0.47 0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.55 2x36 h LEU 867 CO -0.60 -0.05 0.66 0.00 -0.34 0.00 0.00 178.44 178.11 2x36 h ALA 868 N -0.10 2.74 -0.13 1.25 0.00 0.86 -1.50 119.26 122.38 2x36 h ALA 868 Ca -0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2x36 h ALA 868 Cb 0.48 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2x36 h ALA 868 CO 0.07 -1.02 0.00 -1.33 0.00 0.00 0.00 179.25 176.97 2x36 n MET 869 N -4.32 2.10 -4.01 0.00 2.81 -0.24 -4.85 117.12 108.60 2x36 n MET 869 Ca 0.20 -1.90 -0.31 0.00 -1.81 0.00 0.00 57.70 53.88 2x36 n MET 869 Cb 0.95 -1.43 0.00 0.00 -0.71 0.00 0.00 33.22 32.03 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 1.24 -0.43 2.70 3.03 0.00 -0.57 -4.95 105.19 106.22 2x36 n GLY 870 Ca 0.14 0.16 -0.26 0.00 0.00 0.00 0.00 46.02 46.06 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 -6.67 0.45 0.83 1.61 3.52 -0.91 -4.92 118.95 112.86 2x36 s ARG 871 Ca 0.56 -0.22 -0.11 0.00 -0.13 0.00 0.00 55.73 55.83 2x36 s ARG 871 Cb -0.29 -1.81 0.09 0.00 -1.56 0.00 0.00 34.95 31.39 2x36 s ARG 871 CO 0.87 -0.59 1.09 -1.25 -0.81 0.00 0.00 175.30 174.62 2x36 s PRO 872 N 1.97 1.75 0.38 5.12 0.04 -1.26 -4.49 135.00 138.50 2x36 s PRO 872 Ca 0.01 1.05 -0.15 0.00 0.04 0.00 0.00 61.00 61.94 2x36 s PRO 872 Cb -0.16 -1.85 -0.09 0.00 0.04 0.00 0.00 34.50 32.45 2x36 s PRO 872 CO -0.08 -1.96 0.81 0.08 0.04 0.00 0.00 177.00 175.89 2x36 s VAL 873 N -2.90 4.63 0.75 -0.36 1.01 -1.26 -4.94 120.40 117.32 2x36 s VAL 873 Ca 0.62 1.02 -0.15 0.00 0.00 0.00 0.00 61.98 63.48 2x36 s VAL 873 Cb -0.18 -3.64 0.04 0.00 0.00 0.00 0.00 36.38 32.60 2x36 s VAL 873 CO 0.57 -0.33 1.15 -2.11 0.00 0.00 0.00 175.10 174.37 2x36 n ARG 874 N -0.74 0.49 -2.06 2.72 1.85 -1.05 -4.76 116.66 113.11 2x36 n ARG 874 Ca 0.04 0.23 -0.31 0.00 -1.00 0.00 0.00 57.85 56.82 2x36 n ARG 874 Cb 0.54 -2.40 0.00 0.00 -1.05 0.00 0.00 32.46 29.55 2x36 n ARG 874 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 2x36 s GLN 875 N -3.72 3.66 -0.93 2.89 -1.52 -1.26 -4.30 119.66 114.49 2x36 s GLN 875 Ca 0.75 0.72 -0.08 0.00 -1.95 0.00 0.00 55.36 54.81 2x36 s GLN 875 Cb -0.33 -2.13 -0.01 0.00 -0.22 0.00 0.00 33.01 30.33 2x36 s GLN 875 CO 0.48 -0.47 0.74 0.09 -0.25 0.00 0.00 175.29 175.88 2x36 n ASN 876 N -2.46 -6.23 -3.79 5.90 3.02 -1.26 -4.97 115.26 105.47 2x36 n ASN 876 Ca 0.05 -0.65 -0.13 0.00 -0.03 0.00 0.00 54.58 53.83 2x36 n ASN 876 Cb 0.54 -3.88 -0.13 0.00 -0.61 0.00 0.00 39.78 35.70 2x36 n ASN 876 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2x36 s LEU 877 N -5.19 1.11 0.02 3.41 2.96 -1.26 -3.77 118.68 115.96 2x36 s LEU 877 Ca 0.21 0.35 0.03 0.00 -0.22 0.00 0.00 54.13 54.50 2x36 s LEU 877 Cb -0.06 0.55 -0.01 0.00 0.50 0.00 0.00 46.19 47.16 2x36 s LEU 877 CO 0.82 -0.09 -0.09 0.00 -1.32 0.00 0.00 176.35 175.67 2x36 s ALA 878 N 0.46 0.72 0.17 5.97 0.00 -1.04 -4.34 121.76 123.71 2x36 s ALA 878 Ca -0.03 -0.55 0.02 0.00 0.00 0.00 0.00 51.96 51.40 2x36 s ALA 878 Cb -0.05 -0.11 -0.05 0.00 0.00 0.00 0.00 23.12 22.92 2x36 s ALA 878 CO -0.02 0.12 0.01 0.00 0.00 0.00 0.00 175.76 175.87 2x36 s MET 879 N -0.76 1.10 0.03 0.00 0.23 -0.56 -1.61 119.30 117.73 2x36 s MET 879 Ca -0.01 -1.53 -0.17 0.00 -1.03 0.00 0.00 55.69 52.95 2x36 s MET 879 Cb -0.06 -0.22 0.03 0.00 -1.53 0.00 0.00 34.83 33.05 2x36 s MET 879 CO 0.00 -0.15 0.37 -0.08 -2.03 0.00 0.00 175.02 173.14 2x36 s THR 880 N -3.70 0.06 0.00 3.16 -1.32 -1.12 -2.12 115.64 110.61 2x36 s THR 880 Ca 0.24 -0.51 0.00 0.00 -1.21 0.00 0.00 61.69 60.21 2x36 s THR 880 Cb 0.06 -0.90 0.00 0.00 -1.51 0.00 0.00 72.50 70.15 2x36 s THR 880 CO 0.04 -0.28 0.00 0.61 -2.21 0.00 0.00 174.62 172.78 2x36 n GLY 881 N 0.66 3.31 3.75 6.08 0.00 0.88 -4.23 105.19 115.63 2x36 n GLY 881 Ca -0.19 -0.20 -0.41 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.90 4.57 -0.15 1.61 2.12 -1.17 -0.44 118.70 123.35 2x36 s GLU 882 Ca 0.00 1.82 -0.01 0.00 0.36 0.00 0.00 54.97 57.14 2x36 s GLU 882 Cb 0.00 -3.22 -0.01 0.00 0.26 0.00 0.00 34.13 31.15 2x36 s GLU 882 CO 0.00 0.07 -0.11 0.54 -0.54 0.00 0.00 175.26 175.22 2x36 s VAL 883 N -0.59 3.15 0.67 3.70 0.11 -1.26 -1.25 120.40 124.93 2x36 s VAL 883 Ca 0.48 -0.62 -0.10 0.00 -2.93 0.00 0.00 61.98 58.82 2x36 s VAL 883 Cb -0.32 -2.35 0.01 0.00 -1.53 0.00 0.00 36.38 32.20 2x36 s VAL 883 CO 0.39 0.51 1.04 -0.94 -3.33 0.00 0.00 175.10 172.76 2x36 s SER 884 N 0.55 5.46 0.36 3.54 1.04 0.62 -4.88 113.70 120.38 2x36 s SER 884 Ca -0.07 0.98 0.27 0.00 0.48 0.00 0.00 55.95 57.61 2x36 s SER 884 Cb -0.15 -1.83 1.23 0.00 0.10 0.00 0.00 66.02 65.36 2x36 s SER 884 CO 0.03 -1.27 1.81 -0.07 0.98 0.00 0.00 173.24 174.72 2x36 h LEU 885 N -0.52 0.00 -1.43 2.42 3.38 -1.92 0.19 115.31 117.44 2x36 h LEU 885 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.52 2x36 h LEU 885 Cb 1.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.01 2x36 h LEU 885 CO 0.63 0.00 0.00 0.35 0.09 0.00 0.00 178.44 179.51 2x36 n THR 886 N -2.48 0.27 -0.92 0.22 -2.24 -1.26 -4.90 114.28 102.97 2x36 n THR 886 Ca 0.01 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 2x36 n THR 886 Cb 0.19 0.56 0.00 0.00 -2.10 0.00 0.00 70.33 68.97 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 1.23 0.79 3.72 3.38 0.00 0.66 -4.95 105.19 110.02 2x36 n GLY 887 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 2x36 n GLY 887 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2x36 s LYS 888 N -0.08 4.22 -0.33 1.61 2.20 -1.26 -0.40 119.74 125.70 2x36 s LYS 888 Ca 0.00 2.36 -0.26 0.00 -0.36 0.00 0.00 55.97 57.71 2x36 s LYS 888 Cb 0.00 -3.15 0.01 0.00 -1.51 0.00 0.00 37.83 33.18 2x36 s LYS 888 CO 0.00 -0.59 0.91 0.42 -0.36 0.00 0.00 175.35 175.73 2x36 s ILE 889 N 1.01 4.65 0.12 5.43 -1.09 0.02 -0.28 121.20 131.07 2x36 s ILE 889 Ca 0.69 1.32 -0.01 0.00 -2.23 0.00 0.00 60.65 60.42 2x36 s ILE 889 Cb -0.44 -4.28 -0.04 0.00 -1.58 0.00 0.00 42.46 36.12 2x36 s ILE 889 CO 0.33 -0.41 0.29 -0.76 -1.23 0.00 0.00 174.94 173.15 2x36 s LEU 890 N 3.31 4.32 0.40 2.97 2.01 -0.38 -4.73 118.68 126.57 2x36 s LEU 890 Ca 0.38 0.34 -0.24 0.00 0.01 0.00 0.00 54.13 54.62 2x36 s LEU 890 Cb -0.13 -3.06 -0.09 0.00 0.01 0.00 0.00 46.19 42.92 2x36 s LEU 890 CO 0.15 0.09 1.05 -2.16 1.01 0.00 0.00 176.35 176.50 2x36 s PRO 891 N -2.79 4.15 0.42 1.29 0.04 -1.26 -3.03 135.00 133.81 2x36 s PRO 891 Ca 0.37 1.52 0.06 0.00 0.04 0.00 0.00 61.00 62.98 2x36 s PRO 891 Cb -0.12 -2.54 -0.07 0.00 0.04 0.00 0.00 34.50 31.82 2x36 s PRO 891 CO 0.28 -0.15 0.02 0.14 0.04 0.00 0.00 177.00 177.32 2x36 s VAL 892 N -1.66 1.72 0.35 -0.36 -7.23 -1.26 -4.83 120.40 107.15 2x36 s VAL 892 Ca 0.58 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.80 2x36 s VAL 892 Cb -0.22 -2.82 0.06 0.00 0.56 0.00 0.00 36.38 33.96 2x36 s VAL 892 CO 0.28 0.00 0.49 0.61 -0.31 0.00 0.00 175.10 176.16 2x36 n GLY 893 N -0.98 1.80 3.14 2.32 0.00 -1.26 -4.76 105.19 105.45 2x36 n GLY 893 Ca -0.07 -2.17 -0.19 0.00 0.00 0.00 0.00 46.02 43.60 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 0.79 -0.23 0.29 -0.02 0.00 -1.26 -4.91 105.19 99.85 2x36 n GLY 894 Ca 0.10 0.06 -0.11 0.00 0.00 0.00 0.00 46.02 46.07 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 -2.11 0.00 -0.69 -0.61 1.08 -1.94 -0.54 117.51 112.70 2x36 h ILE 895 Ca -0.45 -0.31 0.06 0.00 -0.39 0.00 0.00 64.86 63.78 2x36 h ILE 895 Cb 1.29 0.00 -0.08 0.00 -3.07 0.00 0.00 36.82 34.96 2x36 h ILE 895 CO 0.44 0.00 -0.41 1.17 -0.69 0.00 0.00 178.15 178.66 2x36 n LYS 896 N -4.71 -0.31 -0.30 2.37 4.81 -1.26 0.04 118.16 118.81 2x36 n LYS 896 Ca -0.09 1.23 0.03 0.00 -0.87 0.00 0.00 58.31 58.61 2x36 n LYS 896 Cb 0.27 -1.82 0.17 0.00 0.02 0.00 0.00 35.03 33.67 2x36 n LYS 896 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 2x36 h GLU 897 N 0.00 0.79 -0.37 1.64 3.07 -1.92 0.14 114.58 117.94 2x36 h GLU 897 Ca 0.11 -0.05 -0.06 0.00 -0.50 0.00 0.00 59.36 58.86 2x36 h GLU 897 Cb 0.28 -0.18 -0.02 0.00 -0.84 0.00 0.00 28.75 28.00 2x36 h GLU 897 CO -0.65 0.52 -0.04 0.87 -1.40 0.00 0.00 179.01 178.31 2x36 h LYS 898 N 0.82 0.60 0.00 2.33 1.57 0.41 -1.50 116.57 120.80 2x36 h LYS 898 Ca 0.40 -0.15 -0.15 0.00 -1.87 0.00 0.00 60.65 58.88 2x36 h LYS 898 Cb 0.35 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 2x36 h LYS 898 CO -0.24 0.65 -0.71 1.15 -0.57 0.00 0.00 179.45 179.73 2x36 h THR 899 N 0.57 1.49 -0.05 -0.16 2.02 0.14 -1.93 112.91 114.98 2x36 h THR 899 Ca 0.11 -2.44 -0.08 0.00 0.77 0.00 0.00 66.41 64.78 2x36 h THR 899 Cb 0.42 2.32 0.00 0.00 -1.74 0.00 0.00 68.15 69.15 2x36 h THR 899 CO 0.02 0.69 -0.26 0.40 0.37 0.00 0.00 175.52 176.74 2x36 h ILE 900 N 0.00 1.45 -0.78 3.11 2.04 -0.91 -2.90 117.51 119.52 2x36 h ILE 900 Ca -0.01 -1.70 0.06 0.00 1.00 0.00 0.00 64.86 64.21 2x36 h ILE 900 Cb 1.27 2.39 -0.06 0.00 -0.74 0.00 0.00 36.82 39.68 2x36 h ILE 900 CO 0.09 0.48 0.47 0.00 0.00 0.00 0.00 178.15 179.20 2x36 h ALA 901 N 0.41 1.06 -0.28 1.87 0.00 -1.24 -0.60 119.26 120.47 2x36 h ALA 901 Ca -0.02 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.95 2x36 h ALA 901 Cb 0.92 -0.20 -0.08 0.00 0.00 0.00 0.00 17.79 18.43 2x36 h ALA 901 CO 0.05 0.20 -0.41 0.00 0.00 0.00 0.00 179.25 179.09 2x36 h ALA 902 N 1.38 -0.48 -0.96 0.00 0.00 -1.38 -2.31 119.26 115.50 2x36 h ALA 902 Ca 0.34 0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.33 2x36 h ALA 902 Cb 0.16 0.83 -0.06 0.00 0.00 0.00 0.00 17.79 18.72 2x36 h ALA 902 CO -0.17 -0.88 0.62 0.87 0.00 0.00 0.00 179.25 179.70 2x36 h LYS 903 N -0.39 1.16 -0.72 0.00 1.79 -1.15 -1.75 116.57 115.50 2x36 h LYS 903 Ca 0.11 -0.07 0.13 0.00 -2.18 0.00 0.00 60.65 58.65 2x36 h LYS 903 Cb 0.60 -0.26 -0.09 0.00 -1.58 0.00 0.00 32.23 30.89 2x36 h LYS 903 CO -0.49 0.77 0.27 -0.09 -1.08 0.00 0.00 179.45 178.83 2x36 h ARG 904 N 1.20 0.40 -0.65 3.15 2.43 -0.73 -1.09 114.38 119.09 2x36 h ARG 904 Ca 0.39 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.53 2x36 h ARG 904 Cb 0.03 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.49 2x36 h ARG 904 CO -0.13 0.27 0.00 0.00 -1.51 0.00 0.00 179.97 178.59 2x36 n ALA 905 N -2.52 3.10 -3.42 2.80 0.00 -0.71 -4.91 120.51 114.83 2x36 n ALA 905 Ca 0.13 -1.13 -0.24 0.00 0.00 0.00 0.00 53.44 52.21 2x36 n ALA 905 Cb 0.39 -1.05 0.06 0.00 0.00 0.00 0.00 19.45 18.85 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 0.68 -0.53 3.85 0.00 0.00 -0.41 -4.97 105.19 103.80 2x36 n GLY 906 Ca 0.18 0.20 -0.36 0.00 0.00 0.00 0.00 46.02 46.04 2x36 n GLY 906 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x36 s VAL 907 N -3.26 4.96 -0.11 1.61 0.11 -0.87 -4.97 120.40 117.87 2x36 s VAL 907 Ca 0.49 0.76 0.09 0.00 -2.93 0.00 0.00 61.98 60.39 2x36 s VAL 907 Cb -0.22 -3.72 -0.13 0.00 -1.53 0.00 0.00 36.38 30.78 2x36 s VAL 907 CO 0.61 0.37 0.03 0.41 -3.33 0.00 0.00 175.10 173.19 2x36 n THR 908 N 1.17 0.73 -4.40 5.04 -1.04 -1.26 -4.60 114.28 109.93 2x36 n THR 908 Ca -0.09 -0.44 -0.33 0.00 -2.04 0.00 0.00 64.05 61.15 2x36 n THR 908 Cb 0.52 -0.73 -0.15 0.00 -1.82 0.00 0.00 70.33 68.15 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 0.91 1.55 -0.30 0.00 2.07 -0.26 -2.48 121.20 122.68 2x36 s ILE 910 Ca -0.03 -0.76 -0.07 0.00 -1.41 0.00 0.00 60.65 58.39 2x36 s ILE 910 Cb -0.15 -1.34 0.01 0.00 0.13 0.00 0.00 42.46 41.11 2x36 s ILE 910 CO -0.01 0.44 0.08 -0.69 -1.91 0.00 0.00 174.94 172.86 2x36 s VAL 911 N 0.21 3.92 0.19 4.00 1.01 -0.63 -0.97 120.40 128.13 2x36 s VAL 911 Ca -0.09 -0.77 0.10 0.00 0.00 0.00 0.00 61.98 61.22 2x36 s VAL 911 Cb -0.14 -3.06 -0.04 0.00 0.00 0.00 0.00 36.38 33.14 2x36 s VAL 911 CO 0.04 0.04 -0.18 -0.76 0.00 0.00 0.00 175.10 174.23 2x36 s LEU 912 N 1.48 2.66 0.43 3.92 1.43 0.44 -2.79 118.68 126.25 2x36 s LEU 912 Ca 0.02 -0.75 -0.26 0.00 -1.03 0.00 0.00 54.13 52.10 2x36 s LEU 912 Cb -0.18 -1.37 -0.09 0.00 0.03 0.00 0.00 46.19 44.59 2x36 s LEU 912 CO 0.02 0.11 1.44 -2.84 0.23 0.00 0.00 176.35 175.32 2x36 s PRO 913 N -2.76 3.80 0.44 1.29 0.02 -1.26 -1.36 135.00 135.18 2x36 s PRO 913 Ca 0.23 2.46 0.12 0.00 0.02 0.00 0.00 61.00 63.82 2x36 s PRO 913 Cb -0.08 -2.74 0.99 0.00 0.02 0.00 0.00 34.50 32.68 2x36 s PRO 913 CO 0.12 -0.74 2.03 0.00 -0.33 0.00 0.00 177.00 178.09 2x36 h ALA 914 N 2.51 1.74 0.00 -1.55 0.00 -1.56 -1.36 119.26 119.04 2x36 h ALA 914 Ca -0.51 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.31 2x36 h ALA 914 Cb 1.26 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2x36 h ALA 914 CO 0.62 0.20 0.00 0.39 0.00 0.00 0.00 179.25 180.46 2x36 n GLU 915 N -4.41 0.06 -0.49 0.00 1.02 -1.26 -2.23 120.64 113.33 2x36 n GLU 915 Ca -0.01 0.13 0.09 0.00 -0.02 0.00 0.00 57.16 57.35 2x36 n GLU 915 Cb 0.16 -1.50 0.31 0.00 -0.02 0.00 0.00 31.44 30.40 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 -1.46 4.07 -0.09 1.62 5.03 -0.51 -4.54 115.26 119.38 2x36 n ASN 916 Ca 0.06 -2.29 -0.10 0.00 0.87 0.00 0.00 54.58 53.12 2x36 n ASN 916 Cb 0.23 -0.52 -0.03 0.00 -1.02 0.00 0.00 39.78 38.44 2x36 n ASN 916 CO 0.00 0.00 0.00 0.50 -1.83 0.00 0.00 177.26 175.93 2x36 h LYS 917 N 3.69 0.43 -0.75 3.52 3.64 -1.53 -2.36 116.57 123.20 2x36 h LYS 917 Ca 0.00 -0.09 0.06 0.00 -1.27 0.00 0.00 60.65 59.35 2x36 h LYS 917 Cb 1.20 -0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 32.90 2x36 h LYS 917 CO 0.15 0.48 0.45 -0.22 -2.27 0.00 0.00 179.45 178.04 2x36 h LYS 918 N 0.29 0.80 -0.80 1.90 3.64 -1.85 -1.76 116.57 118.79 2x36 h LYS 918 Ca 0.09 -0.05 0.05 0.00 -1.27 0.00 0.00 60.65 59.48 2x36 h LYS 918 Cb 0.22 -0.18 -0.05 0.00 -0.41 0.00 0.00 32.23 31.81 2x36 h LYS 918 CO -0.00 0.53 0.53 -0.44 -2.27 0.00 0.00 179.45 177.79 2x36 h ASP 919 N 0.83 0.80 -0.01 4.20 3.32 -1.83 -0.45 116.42 123.28 2x36 h ASP 919 Ca 0.33 -0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.36 2x36 h ASP 919 Cb 0.16 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.54 2x36 h ASP 919 CO -0.17 0.53 -0.06 0.15 -1.72 0.00 0.00 179.24 177.97 2x36 h PHE 920 N 0.92 0.08 -0.00 4.55 3.57 -0.79 -3.16 116.94 122.10 2x36 h PHE 920 Ca 0.34 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.80 2x36 h PHE 920 Cb 0.16 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 38.89 2x36 h PHE 920 CO -0.00 0.72 -0.05 0.66 -2.23 0.00 0.00 178.31 177.41 2x36 n TYR 921 N -4.70 0.00 1.00 0.41 4.01 -0.99 -1.95 117.16 114.94 2x36 n TYR 921 Ca -0.09 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.78 2x36 n TYR 921 Cb 0.36 -0.19 0.58 0.00 -0.31 0.00 0.00 39.34 39.79 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 -1.07 0.00 -4.87 7.72 8.00 -0.18 -4.90 116.55 121.25 2x36 n ASP 922 Ca 0.16 0.30 -0.31 0.00 0.71 0.00 0.00 54.79 55.65 2x36 n ASP 922 Cb 0.24 -0.43 -0.02 0.00 -0.02 0.00 0.00 41.12 40.89 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 -2.85 3.63 0.07 0.64 1.43 -0.82 -4.98 118.68 115.80 2x36 s LEU 923 Ca 0.17 1.30 -0.36 0.00 -1.03 0.00 0.00 54.13 54.20 2x36 s LEU 923 Cb 0.17 -4.24 -0.19 0.00 0.03 0.00 0.00 46.19 41.97 2x36 s LEU 923 CO 0.44 -0.56 0.97 0.00 0.23 0.00 0.00 176.35 177.43 2x36 n ALA 924 N -1.76 -3.01 -0.14 4.21 0.00 -1.26 -4.78 120.51 113.77 2x36 n ALA 924 Ca 0.04 0.54 0.18 0.00 0.00 0.00 0.00 53.44 54.20 2x36 n ALA 924 Cb 0.54 -1.77 0.56 0.00 0.00 0.00 0.00 19.45 18.78 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 2.66 2.26 -0.91 0.00 0.00 -1.93 -0.13 119.26 121.22 2x36 h ALA 925 Ca -0.45 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.50 2x36 h ALA 925 Cb 1.42 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 19.13 2x36 h ALA 925 CO 0.64 -0.47 0.59 0.35 0.00 0.00 0.00 179.25 180.36 2x36 h PHE 926 N 0.29 1.10 0.18 0.00 3.57 -1.95 0.75 116.94 120.88 2x36 h PHE 926 Ca 0.36 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.88 2x36 h PHE 926 Cb 0.98 -0.36 0.00 0.00 2.79 0.00 0.00 35.95 39.36 2x36 h PHE 926 CO -0.00 0.61 -0.09 0.82 -2.23 0.00 0.00 178.31 177.43 2x36 h ILE 927 N 1.12 0.93 0.00 1.41 2.04 -1.37 -3.32 117.51 118.32 2x36 h ILE 927 Ca 0.37 -0.77 -0.10 0.00 1.00 0.00 0.00 64.86 65.37 2x36 h ILE 927 Cb 0.05 1.37 -0.01 0.00 -0.74 0.00 0.00 36.82 37.49 2x36 h ILE 927 CO -0.13 0.17 -0.47 0.74 0.00 0.00 0.00 178.15 178.45 2x36 h THR 928 N -0.63 0.89 -3.52 -0.27 2.02 -1.05 -3.45 112.91 106.89 2x36 h THR 928 Ca -0.02 -2.02 -0.53 0.00 0.77 0.00 0.00 66.41 64.60 2x36 h THR 928 Cb 0.46 2.27 0.09 0.00 -1.74 0.00 0.00 68.15 69.24 2x36 h THR 928 CO 0.04 0.46 0.85 -0.70 0.37 0.00 0.00 175.52 176.54 2x36 s GLU 929 N -3.16 4.12 0.00 6.66 -6.30 0.22 -1.98 118.70 118.27 2x36 s GLU 929 Ca 0.03 2.57 0.00 0.00 -2.50 0.00 0.00 54.97 55.07 2x36 s GLU 929 Cb 0.09 -3.01 0.00 0.00 0.00 0.00 0.00 34.13 31.21 2x36 s GLU 929 CO 0.73 -0.60 0.00 0.41 0.02 0.00 0.00 175.26 175.82 2x36 n GLY 930 N 1.63 1.79 3.64 -1.50 0.00 -1.26 -5.01 105.19 104.48 2x36 n GLY 930 Ca 0.06 0.00 -0.42 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 4.08 -0.03 0.99 2.96 -0.84 -5.00 118.68 120.84 2x36 s LEU 931 Ca 0.00 0.96 -0.30 0.00 -0.22 0.00 0.00 54.13 54.57 2x36 s LEU 931 Cb 0.00 -3.14 -0.05 0.00 0.50 0.00 0.00 46.19 43.49 2x36 s LEU 931 CO 0.00 -0.51 1.45 -0.70 -1.32 0.00 0.00 176.35 175.26 2x36 s GLU 932 N 2.83 4.25 -0.02 1.98 2.12 -0.47 -5.00 118.70 124.39 2x36 s GLU 932 Ca 0.34 1.99 0.07 0.00 0.36 0.00 0.00 54.97 57.72 2x36 s GLU 932 Cb -0.15 -3.68 -0.02 0.00 0.26 0.00 0.00 34.13 30.54 2x36 s GLU 932 CO 0.08 -0.65 -0.23 0.08 -0.54 0.00 0.00 175.26 174.00 2x36 s VAL 933 N 2.88 1.81 -0.15 3.70 1.01 -1.26 -1.10 120.40 127.29 2x36 s VAL 933 Ca 0.65 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 61.65 2x36 s VAL 933 Cb -0.31 -1.51 0.03 0.00 0.00 0.00 0.00 36.38 34.59 2x36 s VAL 933 CO 0.26 0.51 -0.09 -1.00 0.00 0.00 0.00 175.10 174.78 2x36 s HIS 934 N -0.49 1.91 -0.29 5.22 3.76 -0.14 -4.96 115.29 120.30 2x36 s HIS 934 Ca 0.07 -1.13 -0.12 0.00 -0.15 0.00 0.00 55.06 53.74 2x36 s HIS 934 Cb -0.09 -1.43 -0.04 0.00 1.11 0.00 0.00 32.58 32.12 2x36 s HIS 934 CO -0.00 -0.63 0.22 -0.06 -0.85 0.00 0.00 174.74 173.42 2x36 s PHE 935 N 1.57 3.22 0.13 1.40 0.08 -1.26 -0.42 117.98 122.69 2x36 s PHE 935 Ca 0.03 0.09 0.09 0.00 0.12 0.00 0.00 56.93 57.26 2x36 s PHE 935 Cb -0.14 -2.42 -0.04 0.00 -0.57 0.00 0.00 43.02 39.85 2x36 s PHE 935 CO -0.09 -0.21 -0.23 0.14 -0.10 0.00 0.00 175.22 174.74 2x36 s VAL 936 N 1.79 1.93 -0.05 -0.44 -7.23 -0.46 -4.66 120.40 111.28 2x36 s VAL 936 Ca 0.08 -1.69 0.05 0.00 -1.81 0.00 0.00 61.98 58.60 2x36 s VAL 936 Cb -0.16 -1.76 -0.07 0.00 0.56 0.00 0.00 36.38 34.94 2x36 s VAL 936 CO 0.11 -0.05 0.12 -0.62 -0.31 0.00 0.00 175.10 174.35 2x36 n GLU 937 N 0.87 1.10 -3.88 4.82 1.02 -1.26 -1.59 120.64 121.72 2x36 n GLU 937 Ca -0.18 -0.04 -0.11 0.00 -0.02 0.00 0.00 57.16 56.81 2x36 n GLU 937 Cb 0.54 -1.04 -0.13 0.00 -0.02 0.00 0.00 31.44 30.78 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 -2.18 0.03 0.43 -0.32 2.46 -1.26 -0.80 115.29 113.66 2x36 s HIS 938 Ca -0.01 -0.06 0.21 0.00 0.47 0.00 0.00 55.06 55.67 2x36 s HIS 938 Cb 0.03 -0.03 1.16 0.00 -0.13 0.00 0.00 32.58 33.61 2x36 s HIS 938 CO 0.20 -0.05 1.82 -0.92 -2.47 0.00 0.00 174.74 173.32 2x36 h TYR 939 N 5.78 0.50 0.00 3.88 3.20 -1.05 -1.02 116.97 128.26 2x36 h TYR 939 Ca -0.26 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.60 2x36 h TYR 939 Cb 1.21 -0.15 -0.00 0.00 1.54 0.00 0.00 36.73 39.33 2x36 h TYR 939 CO 0.46 0.09 -0.13 -0.09 -1.64 0.00 0.00 178.16 176.86 2x36 h ARG 940 N 0.34 0.00 -0.80 1.82 2.43 -1.96 0.23 114.38 116.44 2x36 h ARG 940 Ca 0.52 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.65 2x36 h ARG 940 Cb 1.42 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.94 2x36 h ARG 940 CO -0.19 0.13 0.35 0.93 -1.51 0.00 0.00 179.97 179.67 2x36 h GLU 941 N 0.00 1.17 -0.36 0.20 5.08 -1.60 -2.49 114.58 116.58 2x36 h GLU 941 Ca -0.00 -0.19 -0.04 0.00 -1.00 0.00 0.00 59.36 58.13 2x36 h GLU 941 Cb 0.27 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 2x36 h GLU 941 CO 0.02 0.93 0.07 0.82 -1.00 0.00 0.00 179.01 179.85 2x36 h ILE 942 N 1.14 1.23 -0.95 3.13 2.04 -0.63 -2.91 117.51 120.57 2x36 h ILE 942 Ca 0.27 -0.81 0.14 0.00 1.00 0.00 0.00 64.86 65.47 2x36 h ILE 942 Cb 0.17 1.06 -0.09 0.00 -0.74 0.00 0.00 36.82 37.21 2x36 h ILE 942 CO -0.03 0.27 0.57 0.15 0.00 0.00 0.00 178.15 179.11 2x36 h PHE 943 N 0.44 1.02 -0.03 1.37 3.04 -1.02 0.01 116.94 121.77 2x36 h PHE 943 Ca 0.11 0.03 -0.17 0.00 3.98 0.00 0.00 57.97 61.93 2x36 h PHE 943 Cb 0.33 -0.31 -0.01 0.00 2.56 0.00 0.00 35.95 38.52 2x36 h PHE 943 CO 0.02 0.32 -0.74 -0.44 -2.02 0.00 0.00 178.31 175.45 2x36 h ASP 944 N 0.83 0.24 -0.14 0.41 3.32 -1.27 -1.77 116.42 118.03 2x36 h ASP 944 Ca 0.50 -0.17 -0.13 0.00 0.02 0.00 0.00 57.03 57.26 2x36 h ASP 944 Cb 0.63 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.11 2x36 h ASP 944 CO -0.32 0.90 -0.42 0.40 -1.72 0.00 0.00 179.24 178.07 2x36 h ILE 945 N 0.13 1.35 -0.03 0.35 2.04 -1.27 -3.19 117.51 116.90 2x36 h ILE 945 Ca -0.02 -1.70 -0.17 0.00 1.00 0.00 0.00 64.86 63.96 2x36 h ILE 945 Cb 1.31 2.05 -0.01 0.00 -0.74 0.00 0.00 36.82 39.42 2x36 h ILE 945 CO 0.11 0.52 -0.76 0.00 0.00 0.00 0.00 178.15 178.02 2x36 h ALA 946 N 0.53 0.67 -2.14 1.87 0.00 -0.87 -3.34 119.26 115.98 2x36 h ALA 946 Ca -0.01 -0.65 -0.56 0.00 0.00 0.00 0.00 54.91 53.69 2x36 h ALA 946 Cb 1.04 -0.08 -0.41 0.00 0.00 0.00 0.00 17.79 18.34 2x36 h ALA 946 CO 0.09 0.84 -0.84 1.19 0.00 0.00 0.00 179.25 180.53 2x36 n PHE 947 N -3.75 2.24 0.19 0.00 3.72 -0.68 -2.54 117.46 116.65 2x36 n PHE 947 Ca -0.03 -3.92 0.02 0.00 -0.05 0.00 0.00 57.45 53.47 2x36 n PHE 947 Cb 0.72 -0.47 0.09 0.00 -0.94 0.00 0.00 39.48 38.89 2x36 n PHE 947 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36