#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x36 s PRO 761 N 0.00 1.41 0.36 -2.82 0.04 -1.26 -4.53 135.00 128.20 2x36 s PRO 761 Ca 0.00 -0.78 -0.28 0.00 0.04 0.00 0.00 61.00 59.98 2x36 s PRO 761 Cb 0.00 -2.16 -0.11 0.00 0.04 0.00 0.00 34.50 32.28 2x36 s PRO 761 CO 0.00 -1.73 1.43 -2.14 0.04 0.00 0.00 177.00 174.60 2x36 s PRO 762 N -5.39 4.17 0.00 0.56 0.02 -1.26 -3.08 135.00 130.01 2x36 s PRO 762 Ca 0.68 2.46 0.00 0.00 0.02 0.00 0.00 61.00 64.16 2x36 s PRO 762 Cb -0.05 -2.99 0.00 0.00 0.02 0.00 0.00 34.50 31.47 2x36 s PRO 762 CO 0.47 -0.43 0.00 0.41 -0.33 0.00 0.00 177.00 177.12 2x36 n GLY 763 N 0.56 0.50 2.85 0.52 0.00 -1.26 -4.73 105.19 103.64 2x36 n GLY 763 Ca 0.01 -0.16 -0.24 0.00 0.00 0.00 0.00 46.02 45.62 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 0.69 -0.02 1.61 1.01 -1.18 0.06 120.40 120.58 2x36 s VAL 764 Ca 0.00 -0.10 -0.10 0.00 0.00 0.00 0.00 61.98 61.77 2x36 s VAL 764 Cb 0.00 -0.76 0.01 0.00 0.00 0.00 0.00 36.38 35.63 2x36 s VAL 764 CO 0.00 0.30 0.22 -0.69 0.00 0.00 0.00 175.10 174.93 2x36 s VAL 765 N 1.64 0.06 -0.30 2.92 1.01 -0.70 -4.54 120.40 120.49 2x36 s VAL 765 Ca 0.01 -0.50 -0.15 0.00 0.00 0.00 0.00 61.98 61.35 2x36 s VAL 765 Cb -0.13 -0.49 -0.03 0.00 0.00 0.00 0.00 36.38 35.74 2x36 s VAL 765 CO -0.05 -0.27 0.38 -0.32 0.00 0.00 0.00 175.10 174.84 2x36 s MET 766 N -1.12 3.83 0.17 2.72 1.75 -1.26 -1.05 119.30 124.35 2x36 s MET 766 Ca -0.12 -0.13 0.07 0.00 -1.25 0.00 0.00 55.69 54.27 2x36 s MET 766 Cb -0.06 -3.72 -0.04 0.00 2.84 0.00 0.00 34.83 33.85 2x36 s MET 766 CO 0.02 -0.39 0.00 0.20 -0.65 0.00 0.00 175.02 174.20 2x36 s GLY 767 N 1.69 1.73 -0.11 2.11 0.00 0.35 -1.16 107.32 111.92 2x36 s GLY 767 Ca 0.14 -1.37 -0.02 0.00 0.00 0.00 0.00 44.72 43.47 2x36 s GLY 767 CO 0.11 -1.39 -0.01 1.08 0.00 0.00 0.00 173.10 172.89 2x36 s LEU 768 N -2.95 3.47 0.13 0.66 1.02 -1.11 0.01 118.68 119.90 2x36 s LEU 768 Ca 0.28 0.05 0.06 0.00 0.02 0.00 0.00 54.13 54.53 2x36 s LEU 768 Cb -0.09 -1.81 -0.04 0.00 0.02 0.00 0.00 46.19 44.27 2x36 s LEU 768 CO 0.19 0.31 -0.14 0.00 0.02 0.00 0.00 176.35 176.72 2x36 s ALA 769 N -0.44 1.55 -0.23 4.21 0.00 0.11 -4.83 121.76 122.14 2x36 s ALA 769 Ca 0.08 -1.35 -0.04 0.00 0.00 0.00 0.00 51.96 50.65 2x36 s ALA 769 Cb -0.12 -0.07 -0.00 0.00 0.00 0.00 0.00 23.12 22.93 2x36 s ALA 769 CO 0.02 0.09 -0.04 -0.46 0.00 0.00 0.00 175.76 175.37 2x36 s TRP 770 N -2.31 2.97 0.50 0.00 -0.00 -1.26 -0.74 118.94 118.10 2x36 s TRP 770 Ca 0.11 -1.00 0.07 0.00 -0.00 0.00 0.00 56.10 55.28 2x36 s TRP 770 Cb -0.04 -2.11 0.03 0.00 -0.00 0.00 0.00 33.47 31.35 2x36 s TRP 770 CO 0.03 -0.57 0.49 0.95 -0.00 0.00 0.00 176.95 177.85 2x36 s THR 771 N 1.46 2.18 0.25 5.86 -4.23 0.16 -0.91 115.64 120.42 2x36 s THR 771 Ca 0.05 -1.31 -0.03 0.00 -1.18 0.00 0.00 61.69 59.22 2x36 s THR 771 Cb -0.15 -2.49 0.23 0.00 1.34 0.00 0.00 72.50 71.44 2x36 s THR 771 CO -0.03 0.00 1.74 0.00 -0.54 0.00 0.00 174.62 175.79 2x36 h ALA 772 N 0.72 1.16 -0.00 3.99 0.00 -1.94 -3.26 119.26 119.93 2x36 h ALA 772 Ca -0.37 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2x36 h ALA 772 Cb 1.29 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.12 2x36 h ALA 772 CO 0.53 -0.16 -0.30 0.00 0.00 0.00 0.00 179.25 179.32 2x36 n MET 773 N -4.94 2.67 -3.35 0.00 -0.00 -1.26 -5.09 117.12 105.14 2x36 n MET 773 Ca 0.16 -0.40 0.00 0.00 -0.00 0.00 0.00 57.70 57.46 2x36 n MET 773 Cb 0.42 -1.05 0.00 0.00 -0.00 0.00 0.00 33.22 32.60 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 1.02 -0.68 3.87 3.17 0.00 -1.23 -5.16 105.19 106.18 2x36 n GLY 774 Ca 0.03 -0.81 -0.30 0.00 0.00 0.00 0.00 46.02 44.94 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 1.74 -0.06 -0.02 0.00 -1.26 0.38 107.32 108.10 2x36 s GLY 775 Ca 0.00 -0.15 -0.18 0.00 0.00 0.00 0.00 44.72 44.38 2x36 s GLY 775 CO 0.00 0.08 0.43 -0.45 0.00 0.00 0.00 173.10 173.16 2x36 s SER 776 N -3.80 -0.37 -0.13 1.64 0.15 0.08 -4.85 113.70 106.41 2x36 s SER 776 Ca 0.53 0.44 -0.06 0.00 0.70 0.00 0.00 55.95 57.57 2x36 s SER 776 Cb -0.11 0.53 -0.04 0.00 -1.71 0.00 0.00 66.02 64.69 2x36 s SER 776 CO 0.44 -0.40 0.08 -0.89 1.20 0.00 0.00 173.24 173.67 2x36 s THR 777 N -0.87 4.95 0.10 6.45 2.01 -1.26 0.08 115.64 127.09 2x36 s THR 777 Ca -0.09 0.01 -0.15 0.00 0.31 0.00 0.00 61.69 61.76 2x36 s THR 777 Cb -0.04 -3.17 0.03 0.00 0.01 0.00 0.00 72.50 69.34 2x36 s THR 777 CO 0.04 0.56 0.36 -1.48 -0.69 0.00 0.00 174.62 173.42 2x36 s LEU 778 N -0.48 0.59 -0.30 4.42 0.05 0.10 -4.95 118.68 118.10 2x36 s LEU 778 Ca 0.10 -0.30 -0.02 0.00 0.05 0.00 0.00 54.13 53.96 2x36 s LEU 778 Cb -0.12 1.67 0.05 0.00 -2.05 0.00 0.00 46.19 45.74 2x36 s LEU 778 CO 0.02 -0.78 0.01 -0.36 -0.55 0.00 0.00 176.35 174.68 2x36 s PHE 779 N -3.48 3.25 0.23 3.48 0.08 -1.26 0.13 117.98 120.41 2x36 s PHE 779 Ca 0.01 -1.81 -0.30 0.00 0.12 0.00 0.00 56.93 54.95 2x36 s PHE 779 Cb 0.02 -2.12 -0.09 0.00 -0.57 0.00 0.00 43.02 40.26 2x36 s PHE 779 CO -0.10 -0.79 1.03 0.08 -0.10 0.00 0.00 175.22 175.35 2x36 s VAL 780 N 1.27 3.84 0.03 -0.44 1.01 -0.21 -4.55 120.40 121.36 2x36 s VAL 780 Ca -0.05 1.77 0.05 0.00 0.00 0.00 0.00 61.98 63.75 2x36 s VAL 780 Cb -0.20 -4.12 -0.02 0.00 0.00 0.00 0.00 36.38 32.04 2x36 s VAL 780 CO -0.01 0.39 -0.15 -1.61 0.00 0.00 0.00 175.10 173.71 2x36 s GLU 781 N -1.02 1.05 0.04 2.72 2.02 -1.07 -1.73 118.70 120.71 2x36 s GLU 781 Ca 0.44 -0.77 0.07 0.00 0.02 0.00 0.00 54.97 54.74 2x36 s GLU 781 Cb -0.29 -1.08 -0.02 0.00 0.10 0.00 0.00 34.13 32.84 2x36 s GLU 781 CO 0.36 0.27 -0.21 0.95 0.02 0.00 0.00 175.26 176.65 2x36 s THR 782 N -0.78 1.66 0.27 3.63 -4.23 0.11 -1.09 115.64 115.21 2x36 s THR 782 Ca 0.03 -1.17 -0.09 0.00 -1.18 0.00 0.00 61.69 59.29 2x36 s THR 782 Cb -0.08 -1.44 -0.01 0.00 1.34 0.00 0.00 72.50 72.32 2x36 s THR 782 CO 0.01 0.23 0.45 -0.94 -0.54 0.00 0.00 174.62 173.83 2x36 s SER 783 N -1.11 0.18 -0.13 3.99 1.04 -0.41 -4.49 113.70 112.78 2x36 s SER 783 Ca 0.07 -1.12 -0.24 0.00 0.48 0.00 0.00 55.95 55.14 2x36 s SER 783 Cb -0.09 0.59 -0.03 0.00 0.10 0.00 0.00 66.02 66.59 2x36 s SER 783 CO 0.01 -1.16 0.73 -0.76 0.98 0.00 0.00 173.24 173.05 2x36 s LEU 784 N -3.09 4.24 -0.12 2.42 1.43 -1.26 -1.60 118.68 120.69 2x36 s LEU 784 Ca 0.26 1.12 -0.06 0.00 -1.03 0.00 0.00 54.13 54.42 2x36 s LEU 784 Cb 0.00 -3.10 -0.05 0.00 0.03 0.00 0.00 46.19 43.07 2x36 s LEU 784 CO 0.12 -0.24 -0.15 -2.11 0.23 0.00 0.00 176.35 174.20 2x36 n ARG 785 N 4.51 0.25 0.00 1.70 1.85 -0.98 -4.90 116.66 119.09 2x36 n ARG 785 Ca 0.01 0.11 0.00 0.00 -1.00 0.00 0.00 57.85 56.96 2x36 n ARG 785 Cb 0.50 -0.93 0.00 0.00 -1.05 0.00 0.00 32.46 30.98 2x36 n ARG 785 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 2x36 n ASP 797 N -3.50 0.00 -3.64 2.89 4.64 -1.26 -5.04 116.55 110.64 2x36 n ASP 797 Ca -0.23 0.00 -0.30 0.00 -1.38 0.00 0.00 54.79 52.88 2x36 n ASP 797 Cb 0.67 0.00 0.25 0.00 -1.04 0.00 0.00 41.12 41.00 2x36 n ASP 797 CO 0.00 0.00 0.00 -0.83 -0.82 0.00 0.00 177.20 175.55 2x36 s GLY 798 N 0.00 1.56 0.06 0.27 0.00 0.47 -4.86 107.32 104.82 2x36 s GLY 798 Ca 0.00 -1.01 -0.17 0.00 0.00 0.00 0.00 44.72 43.54 2x36 s GLY 798 CO 0.00 -0.07 0.40 -1.35 0.00 0.00 0.00 173.10 172.08 2x36 s SER 799 N -3.85 -0.25 -0.15 1.64 1.04 -0.81 -4.94 113.70 106.39 2x36 s SER 799 Ca 0.71 -0.09 0.00 0.00 0.48 0.00 0.00 55.95 57.06 2x36 s SER 799 Cb -0.09 0.42 0.03 0.00 0.10 0.00 0.00 66.02 66.48 2x36 s SER 799 CO 0.56 -0.69 -0.11 -0.22 0.98 0.00 0.00 173.24 173.76 2x36 s LEU 800 N -2.16 1.64 -0.07 2.42 2.96 -1.26 -0.57 118.68 121.64 2x36 s LEU 800 Ca -0.04 -0.52 -0.08 0.00 -0.22 0.00 0.00 54.13 53.28 2x36 s LEU 800 Cb -0.00 -1.07 -0.04 0.00 0.50 0.00 0.00 46.19 45.57 2x36 s LEU 800 CO -0.04 -0.10 0.21 -1.61 -1.32 0.00 0.00 176.35 173.48 2x36 s GLU 801 N 1.55 3.54 -0.17 1.98 2.02 -0.54 -4.97 118.70 122.09 2x36 s GLU 801 Ca 0.04 -0.05 -0.03 0.00 0.02 0.00 0.00 54.97 54.94 2x36 s GLU 801 Cb -0.14 -3.17 -0.02 0.00 0.10 0.00 0.00 34.13 30.91 2x36 s GLU 801 CO -0.09 0.74 -0.05 0.08 0.02 0.00 0.00 175.26 175.96 2x36 s VAL 802 N -1.11 3.68 0.40 2.63 1.01 -1.26 -1.19 120.40 124.56 2x36 s VAL 802 Ca 0.20 -0.42 0.05 0.00 0.00 0.00 0.00 61.98 61.80 2x36 s VAL 802 Cb -0.13 -2.62 -0.06 0.00 0.00 0.00 0.00 36.38 33.57 2x36 s VAL 802 CO 0.09 0.47 0.04 0.42 0.00 0.00 0.00 175.10 176.12 2x36 s THR 803 N 0.68 1.43 0.00 3.92 -4.23 -0.69 -4.97 115.64 111.78 2x36 s THR 803 Ca -0.02 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.49 2x36 s THR 803 Cb -0.15 -2.72 0.00 0.00 1.34 0.00 0.00 72.50 70.97 2x36 s THR 803 CO 0.02 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.71 2x36 n GLY 804 N -0.91 -1.26 3.66 3.99 0.00 -1.26 -2.35 105.19 107.06 2x36 n GLY 804 Ca -0.06 -0.32 -0.54 0.00 0.00 0.00 0.00 46.02 45.10 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 -0.18 1.30 -3.78 1.61 7.27 -1.26 -4.72 117.38 117.62 2x36 n GLN 805 Ca 0.00 0.47 -0.13 0.00 0.07 0.00 0.00 57.00 57.42 2x36 n GLN 805 Cb 0.00 -2.16 -0.12 0.00 2.41 0.00 0.00 30.24 30.36 2x36 n GLN 805 CO 0.00 0.00 0.00 -0.48 0.07 0.00 0.00 177.06 176.65 2x36 s LEU 806 N 2.30 1.03 0.00 1.69 0.05 -1.26 -4.95 118.68 117.54 2x36 s LEU 806 Ca 0.92 0.43 -0.23 0.00 0.05 0.00 0.00 54.13 55.30 2x36 s LEU 806 Cb -0.97 0.70 0.34 0.00 -2.05 0.00 0.00 46.19 44.21 2x36 s LEU 806 CO 0.56 -0.09 0.95 0.61 -0.55 0.00 0.00 176.35 177.83 2x36 n GLY 807 N 3.27 -3.45 0.29 -3.48 0.00 -1.26 -4.61 105.19 95.95 2x36 n GLY 807 Ca -0.16 -1.38 -0.07 0.00 0.00 0.00 0.00 46.02 44.42 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 0.97 -0.98 1.61 4.39 -2.01 -2.00 114.58 116.55 2x36 h GLU 808 Ca -0.40 -0.15 0.18 0.00 0.34 0.00 0.00 59.36 59.33 2x36 h GLU 808 Cb 1.28 -0.17 -0.18 0.00 -0.10 0.00 0.00 28.75 29.58 2x36 h GLU 808 CO 0.25 0.78 -0.31 0.28 -1.16 0.00 0.00 179.01 178.85 2x36 h VAL 809 N 0.93 0.01 -0.25 3.13 2.07 -1.99 0.35 116.25 120.50 2x36 h VAL 809 Ca 0.23 0.00 -0.18 0.00 0.82 0.00 0.00 66.70 67.56 2x36 h VAL 809 Cb 0.15 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 29.93 2x36 h VAL 809 CO -0.03 0.00 -0.55 -0.03 0.02 0.00 0.00 177.57 176.98 2x36 h MET 810 N -0.00 0.82 -0.63 1.57 1.85 -1.70 -1.18 114.93 115.66 2x36 h MET 810 Ca 0.42 -0.54 0.11 0.00 -0.61 0.00 0.00 59.70 59.07 2x36 h MET 810 Cb 0.67 0.07 -0.08 0.00 0.43 0.00 0.00 31.60 32.69 2x36 h MET 810 CO -1.00 1.17 0.20 0.87 -0.40 0.00 0.00 176.91 177.75 2x36 h LYS 811 N 0.58 0.34 0.08 0.39 1.57 -0.52 -1.35 116.57 117.67 2x36 h LYS 811 Ca 0.00 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2x36 h LYS 811 Cb 1.16 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.40 2x36 h LYS 811 CO 0.12 0.23 -0.04 1.49 -0.57 0.00 0.00 179.45 180.68 2x36 h GLU 812 N 0.35 -0.11 -0.85 3.15 4.81 -0.26 -2.41 114.58 119.27 2x36 h GLU 812 Ca 0.33 0.01 0.17 0.00 -0.13 0.00 0.00 59.36 59.74 2x36 h GLU 812 Cb 0.46 0.02 -0.10 0.00 0.63 0.00 0.00 28.75 29.76 2x36 h GLU 812 CO -0.36 0.14 0.40 1.03 -0.73 0.00 0.00 179.01 179.49 2x36 h SER 813 N -0.35 0.43 0.03 1.04 0.87 -0.97 -1.51 113.55 113.08 2x36 h SER 813 Ca -0.01 0.11 -0.00 0.00 -1.23 0.00 0.00 61.79 60.66 2x36 h SER 813 Cb 0.30 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.32 2x36 h SER 813 CO 0.02 0.14 -0.01 0.00 -0.53 0.00 0.00 176.83 176.44 2x36 h ALA 814 N 1.60 -0.03 -0.80 6.23 0.00 -1.17 -1.79 119.26 123.31 2x36 h ALA 814 Ca 0.49 -0.21 0.13 0.00 0.00 0.00 0.00 54.91 55.32 2x36 h ALA 814 Cb 0.78 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.52 2x36 h ALA 814 CO -0.42 -0.31 0.52 0.00 0.00 0.00 0.00 179.25 179.04 2x36 h ARG 815 N -0.45 0.55 -0.01 0.00 3.08 -0.90 0.18 114.38 116.83 2x36 h ARG 815 Ca -0.00 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 59.99 2x36 h ARG 815 Cb 0.42 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.35 2x36 h ARG 815 CO 0.01 0.36 -0.09 0.82 -1.07 0.00 0.00 179.97 180.00 2x36 h ILE 816 N 0.57 1.55 0.00 2.04 2.04 -1.22 -0.07 117.51 122.42 2x36 h ILE 816 Ca 0.39 -1.75 -0.03 0.00 1.00 0.00 0.00 64.86 64.47 2x36 h ILE 816 Cb 0.71 2.69 -0.00 0.00 -0.74 0.00 0.00 36.82 39.47 2x36 h ILE 816 CO -0.15 0.47 -0.14 0.00 0.00 0.00 0.00 178.15 178.33 2x36 h ALA 817 N 0.29 1.27 -0.04 1.87 0.00 -0.79 -1.97 119.26 119.89 2x36 h ALA 817 Ca -0.01 -0.13 -0.15 0.00 0.00 0.00 0.00 54.91 54.62 2x36 h ALA 817 Cb 0.81 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.59 2x36 h ALA 817 CO 0.02 0.18 -0.56 -0.92 0.00 0.00 0.00 179.25 177.97 2x36 h TYR 818 N 0.00 0.65 -0.55 0.00 -0.00 -0.52 -0.24 116.97 116.30 2x36 h TYR 818 Ca -0.00 -0.32 -0.00 0.00 -0.00 0.00 0.00 58.73 58.41 2x36 h TYR 818 Cb 0.39 -0.09 -0.03 0.00 -0.00 0.00 0.00 36.73 37.01 2x36 h TYR 818 CO 0.00 1.12 0.34 1.15 -0.00 0.00 0.00 178.16 180.77 2x36 h THR 819 N -0.01 1.16 -0.37 1.81 2.02 -0.88 0.29 112.91 116.93 2x36 h THR 819 Ca -0.06 -0.35 -0.16 0.00 0.77 0.00 0.00 66.41 66.62 2x36 h THR 819 Cb 1.24 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 68.04 2x36 h THR 819 CO 0.11 0.16 -0.38 0.15 0.37 0.00 0.00 175.52 175.93 2x36 h PHE 820 N 0.75 1.08 -0.70 3.16 3.04 -1.27 0.19 116.94 123.18 2x36 h PHE 820 Ca 0.20 -0.32 0.02 0.00 3.98 0.00 0.00 57.97 61.85 2x36 h PHE 820 Cb -0.03 -0.23 -0.04 0.00 2.56 0.00 0.00 35.95 38.21 2x36 h PHE 820 CO -0.03 1.14 0.45 0.00 -2.02 0.00 0.00 178.31 177.85 2x36 h ALA 821 N 0.82 0.90 -0.86 2.41 0.00 -0.73 0.32 119.26 122.13 2x36 h ALA 821 Ca 0.06 -0.03 0.10 0.00 0.00 0.00 0.00 54.91 55.04 2x36 h ALA 821 Cb 0.97 -0.25 -0.08 0.00 0.00 0.00 0.00 17.79 18.43 2x36 h ALA 821 CO 0.09 0.25 0.49 0.00 0.00 0.00 0.00 179.25 180.09 2x36 h ARG 822 N 0.89 0.79 -0.01 0.00 3.08 0.64 -0.93 114.38 118.85 2x36 h ARG 822 Ca 0.27 -0.05 -0.26 0.00 0.07 0.00 0.00 59.98 60.01 2x36 h ARG 822 Cb -0.04 -0.18 0.02 0.00 0.08 0.00 0.00 29.97 29.85 2x36 h ARG 822 CO -0.08 0.52 -1.00 0.00 -1.07 0.00 0.00 179.97 178.33 2x36 h ALA 823 N 1.48 0.13 -0.23 0.04 0.00 -0.22 -1.25 119.26 119.20 2x36 h ALA 823 Ca 0.42 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2x36 h ALA 823 Cb 0.41 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2x36 h ALA 823 CO -0.26 0.66 0.15 0.35 0.00 0.00 0.00 179.25 180.15 2x36 h PHE 824 N 0.36 0.30 0.00 0.00 3.04 -0.29 -1.43 116.94 118.92 2x36 h PHE 824 Ca -0.12 0.00 -0.10 0.00 3.98 0.00 0.00 57.97 61.73 2x36 h PHE 824 Cb 1.66 -0.10 -0.01 0.00 2.56 0.00 0.00 35.95 40.05 2x36 h PHE 824 CO 0.11 0.21 -0.49 1.25 -2.02 0.00 0.00 178.31 177.37 2x36 h LEU 825 N 0.30 0.00 -0.73 0.59 5.85 -1.08 0.72 115.31 120.96 2x36 h LEU 825 Ca 0.08 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.70 2x36 h LEU 825 Cb -0.01 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 2x36 h LEU 825 CO -0.02 0.49 -0.16 0.24 -0.34 0.00 0.00 178.44 178.65 2x36 h MET 826 N 0.00 0.80 0.02 1.25 2.86 -1.18 0.08 114.93 118.77 2x36 h MET 826 Ca -0.00 -0.29 -0.00 0.00 -2.06 0.00 0.00 59.70 57.34 2x36 h MET 826 Cb 1.06 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.67 2x36 h MET 826 CO 0.06 0.91 -0.01 0.37 1.06 0.00 0.00 176.91 179.30 2x36 h GLN 827 N 0.71 -0.03 0.39 1.72 5.75 -0.06 -3.32 115.11 120.27 2x36 h GLN 827 Ca 0.11 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.60 2x36 h GLN 827 Cb 0.66 0.01 -0.00 0.00 1.07 0.00 0.00 27.48 29.22 2x36 h GLN 827 CO 0.05 0.62 -0.21 1.25 -2.65 0.00 0.00 178.83 177.88 2x36 h HIS 828 N -0.72 -0.56 -2.71 3.99 2.76 0.27 -3.40 115.15 114.79 2x36 h HIS 828 Ca -0.00 -0.01 -0.60 0.00 -2.20 0.00 0.00 60.37 57.55 2x36 h HIS 828 Cb 0.66 0.19 -0.40 0.00 1.55 0.00 0.00 27.41 29.42 2x36 h HIS 828 CO 0.16 -0.34 -0.80 0.00 -1.30 0.00 0.00 177.93 175.65 2x36 s ALA 829 N -6.10 2.38 0.33 5.26 0.00 0.02 -4.98 121.76 118.67 2x36 s ALA 829 Ca -0.16 -2.98 0.06 0.00 0.00 0.00 0.00 51.96 48.89 2x36 s ALA 829 Cb 0.05 -1.84 0.74 0.00 0.00 0.00 0.00 23.12 22.06 2x36 s ALA 829 CO 0.64 -2.03 1.86 -1.35 0.00 0.00 0.00 175.76 174.88 2x36 h PRO 830 N 5.70 0.76 0.00 0.00 0.11 -1.69 -1.50 132.00 135.38 2x36 h PRO 830 Ca 0.19 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.25 2x36 h PRO 830 Cb 0.85 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.79 2x36 h PRO 830 CO 0.51 0.50 0.00 0.00 -0.21 0.00 0.00 178.00 178.81 2x36 n ALA 831 N -2.41 2.30 -2.55 -0.75 0.00 -1.26 -4.65 120.51 111.19 2x36 n ALA 831 Ca 0.18 -0.10 -0.41 0.00 0.00 0.00 0.00 53.44 53.11 2x36 n ALA 831 Cb 0.42 -1.46 -0.03 0.00 0.00 0.00 0.00 19.45 18.39 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 -2.95 6.35 0.00 0.00 3.84 -0.56 -4.89 114.94 116.72 2x36 s ASN 832 Ca 0.15 -1.05 0.07 0.00 0.21 0.00 0.00 52.86 52.24 2x36 s ASN 832 Cb 0.18 -2.57 0.40 0.00 -0.55 0.00 0.00 41.25 38.72 2x36 s ASN 832 CO 0.50 -1.66 0.95 -0.90 -2.79 0.00 0.00 177.10 173.21 2x36 n ASP 833 N 9.16 0.00 0.23 -4.21 5.68 -1.26 -4.55 116.55 121.60 2x36 n ASP 833 Ca 0.22 -1.05 -0.15 0.00 -0.50 0.00 0.00 54.79 53.30 2x36 n ASP 833 Cb 0.50 0.00 -0.08 0.00 -1.14 0.00 0.00 41.12 40.40 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 0.00 -0.52 -0.21 2.11 3.20 -1.90 -2.14 116.97 117.51 2x36 h TYR 834 Ca 0.00 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.82 2x36 h TYR 834 Cb 0.00 0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.43 2x36 h TYR 834 CO 0.00 -0.23 -0.03 -0.07 -1.64 0.00 0.00 178.16 176.19 2x36 h LEU 835 N -0.73 0.30 0.00 2.82 4.07 -1.92 0.30 115.31 120.14 2x36 h LEU 835 Ca -0.06 -0.05 0.00 0.00 0.08 0.00 0.00 57.88 57.86 2x36 h LEU 835 Cb 0.51 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 42.18 2x36 h LEU 835 CO 0.09 0.38 -0.19 -0.37 -1.08 0.00 0.00 178.44 177.27 2x36 h VAL 836 N 0.31 0.00 0.00 1.22 -1.51 -1.81 -3.38 116.25 111.08 2x36 h VAL 836 Ca 0.07 -0.77 0.00 0.00 -1.23 0.00 0.00 66.70 64.77 2x36 h VAL 836 Cb 0.26 1.66 0.00 0.00 -2.13 0.00 0.00 31.29 31.09 2x36 h VAL 836 CO 0.01 0.00 -0.76 0.35 -1.23 0.00 0.00 177.57 175.94 2x36 n THR 837 N -2.67 0.00 -2.19 7.19 -2.24 -0.83 -0.39 114.28 113.16 2x36 n THR 837 Ca 0.04 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.48 2x36 n THR 837 Cb 0.49 0.34 0.00 0.00 -2.10 0.00 0.00 70.33 69.06 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 -1.56 5.82 -0.37 3.42 0.01 0.10 -3.91 113.70 117.22 2x36 s SER 838 Ca 0.00 1.95 -0.14 0.00 1.31 0.00 0.00 55.95 59.07 2x36 s SER 838 Cb 0.00 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.68 2x36 s SER 838 CO 0.00 -1.14 0.28 -1.00 0.41 0.00 0.00 173.24 171.79 2x36 s HIS 839 N -2.16 3.23 0.12 2.43 3.76 -1.26 -1.92 115.29 119.49 2x36 s HIS 839 Ca 0.67 -0.36 0.08 0.00 -0.15 0.00 0.00 55.06 55.30 2x36 s HIS 839 Cb -0.18 -2.56 -0.04 0.00 1.11 0.00 0.00 32.58 30.91 2x36 s HIS 839 CO 0.31 -0.48 -0.15 0.42 -0.85 0.00 0.00 174.74 173.99 2x36 s ILE 840 N 1.74 3.03 -0.17 0.60 1.01 0.26 -2.32 121.20 125.36 2x36 s ILE 840 Ca 0.06 -1.48 -0.02 0.00 0.00 0.00 0.00 60.65 59.22 2x36 s ILE 840 Cb -0.18 -2.42 -0.01 0.00 0.01 0.00 0.00 42.46 39.86 2x36 s ILE 840 CO 0.11 0.07 -0.08 -2.28 0.00 0.00 0.00 174.94 172.75 2x36 s HIS 841 N -1.26 2.91 -0.22 3.97 5.65 -0.63 -1.47 115.29 124.24 2x36 s HIS 841 Ca 0.20 -0.74 -0.04 0.00 0.25 0.00 0.00 55.06 54.73 2x36 s HIS 841 Cb -0.10 -1.97 -0.01 0.00 -1.18 0.00 0.00 32.58 29.31 2x36 s HIS 841 CO 0.12 -0.34 -0.04 -1.17 -0.65 0.00 0.00 174.74 172.66 2x36 s LEU 842 N 0.85 2.91 -0.24 8.88 2.96 -0.33 -1.28 118.68 132.42 2x36 s LEU 842 Ca -0.02 -0.38 -0.04 0.00 -0.22 0.00 0.00 54.13 53.46 2x36 s LEU 842 Cb -0.15 -1.74 -0.00 0.00 0.50 0.00 0.00 46.19 44.80 2x36 s LEU 842 CO 0.01 -0.01 -0.01 -2.28 -1.32 0.00 0.00 176.35 172.73 2x36 s HIS 843 N 1.43 3.02 -0.32 5.38 5.65 -0.25 -1.70 115.29 128.50 2x36 s HIS 843 Ca 0.05 -0.98 -0.05 0.00 0.25 0.00 0.00 55.06 54.33 2x36 s HIS 843 Cb -0.14 -2.14 0.04 0.00 -1.18 0.00 0.00 32.58 29.16 2x36 s HIS 843 CO -0.03 -0.56 0.06 0.08 -0.65 0.00 0.00 174.74 173.64 2x36 s VAL 844 N 1.47 3.47 0.28 0.89 1.01 -0.99 -2.60 120.40 123.93 2x36 s VAL 844 Ca 0.04 -1.21 -0.30 0.00 0.00 0.00 0.00 61.98 60.51 2x36 s VAL 844 Cb -0.15 -2.96 -0.11 0.00 0.00 0.00 0.00 36.38 33.15 2x36 s VAL 844 CO -0.02 -0.13 1.59 -2.84 0.00 0.00 0.00 175.10 173.70 2x36 s PRO 845 N 1.35 4.13 0.93 2.72 0.02 -1.26 -4.44 135.00 138.45 2x36 s PRO 845 Ca -0.03 2.56 -0.11 0.00 0.02 0.00 0.00 61.00 63.45 2x36 s PRO 845 Cb -0.19 -3.03 0.11 0.00 0.02 0.00 0.00 34.50 31.41 2x36 s PRO 845 CO 0.01 -0.63 0.91 0.39 -0.33 0.00 0.00 177.00 177.36 2x36 n GLU 846 N 2.31 -0.42 0.00 5.54 1.02 -1.26 -4.55 120.64 123.28 2x36 n GLU 846 Ca 0.09 -0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 2x36 n GLU 846 Cb 0.37 -2.21 0.00 0.00 -0.02 0.00 0.00 31.44 29.58 2x36 n GLU 846 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2x36 n GLY 847 N 0.66 2.89 3.80 0.62 0.00 -1.26 -5.12 105.19 106.78 2x36 n GLY 847 Ca 0.10 -0.36 -0.34 0.00 0.00 0.00 0.00 46.02 45.43 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 2.78 1.07 4.61 0.00 -1.26 -4.05 121.76 124.91 2x36 s ALA 848 Ca 0.00 0.55 -0.12 0.00 0.00 0.00 0.00 51.96 52.38 2x36 s ALA 848 Cb 0.00 -3.26 0.23 0.00 0.00 0.00 0.00 23.12 20.09 2x36 s ALA 848 CO 0.00 -0.60 1.06 0.95 0.00 0.00 0.00 175.76 177.17 2x36 s THR 849 N -2.16 2.12 0.11 0.00 -4.23 -0.08 -4.78 115.64 106.62 2x36 s THR 849 Ca 0.66 0.04 -0.34 0.00 -1.18 0.00 0.00 61.69 60.88 2x36 s THR 849 Cb -0.17 -2.26 -0.13 0.00 1.34 0.00 0.00 72.50 71.28 2x36 s THR 849 CO 0.28 -0.05 1.55 -0.65 -0.54 0.00 0.00 174.62 175.21 2x36 h PRO 850 N -2.24 -0.60 -0.31 3.99 0.11 -1.95 -2.85 132.00 128.15 2x36 h PRO 850 Ca -0.57 0.04 0.03 0.00 0.11 0.00 0.00 66.00 65.61 2x36 h PRO 850 Cb 1.32 0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.55 2x36 h PRO 850 CO 0.52 -0.40 0.21 -0.22 -0.21 0.00 0.00 178.00 177.89 2x36 h LYS 851 N -0.63 0.29 -0.04 1.05 1.63 -1.98 -2.98 116.57 113.92 2x36 h LYS 851 Ca 0.02 -0.02 -0.16 0.00 -0.85 0.00 0.00 60.65 59.64 2x36 h LYS 851 Cb 0.70 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 32.25 2x36 h LYS 851 CO -0.39 0.19 -0.70 0.22 -3.45 0.00 0.00 179.45 175.32 2x36 h ASP 852 N 0.30 0.24 0.04 4.20 3.58 -1.86 -3.40 116.42 119.52 2x36 h ASP 852 Ca 0.13 -0.16 -0.01 0.00 0.42 0.00 0.00 57.03 57.41 2x36 h ASP 852 Cb 0.13 -0.07 -0.00 0.00 1.72 0.00 0.00 39.33 41.11 2x36 h ASP 852 CO -0.03 0.86 -0.03 1.23 -2.88 0.00 0.00 179.24 178.40 2x36 h GLY 853 N 1.64 0.00 2.00 -0.78 0.00 -1.34 0.22 103.07 104.80 2x36 h GLY 853 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.31 2x36 h GLY 853 CO 0.11 0.00 0.00 -2.55 0.00 0.00 0.00 176.54 174.10 2x36 h PRO 854 N 0.00 0.00 0.00 4.80 0.11 -1.81 -1.22 132.00 133.88 2x36 h PRO 854 Ca -0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2x36 h PRO 854 Cb 0.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.16 2x36 h PRO 854 CO 0.00 0.00 0.11 0.66 -0.21 0.00 0.00 178.00 178.56 2x36 h SER 855 N 0.00 0.00 0.68 -2.05 4.64 -0.81 -0.76 113.55 115.25 2x36 h SER 855 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2x36 h SER 855 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 2x36 h SER 855 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 2x36 n ALA 856 N -1.74 2.06 -0.27 5.18 0.00 -0.46 0.73 120.51 126.01 2x36 n ALA 856 Ca -0.01 -0.08 0.07 0.00 0.00 0.00 0.00 53.44 53.41 2x36 n ALA 856 Cb 0.14 -1.36 0.19 0.00 0.00 0.00 0.00 19.45 18.42 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 3.81 0.97 2.00 0.00 0.00 -1.05 -0.77 103.07 108.03 2x36 h GLY 857 Ca 0.00 0.07 -0.16 0.00 0.00 0.00 0.00 47.33 47.24 2x36 h GLY 857 CO 0.00 -0.30 -0.75 0.00 0.00 0.00 0.00 176.54 175.49 2x36 h THR 859 N 0.00 1.30 -0.16 0.00 2.02 -1.47 -2.55 112.91 112.05 2x36 h THR 859 Ca -0.01 -1.57 -0.03 0.00 0.77 0.00 0.00 66.41 65.58 2x36 h THR 859 Cb 1.43 1.55 -0.01 0.00 -1.74 0.00 0.00 68.15 69.38 2x36 h THR 859 CO 0.10 0.49 -0.02 0.40 0.37 0.00 0.00 175.52 176.87 2x36 h ILE 860 N 0.47 1.27 -1.00 3.11 2.04 -0.56 0.64 117.51 123.48 2x36 h ILE 860 Ca 0.04 -0.91 0.21 0.00 1.00 0.00 0.00 64.86 65.20 2x36 h ILE 860 Cb 0.90 1.55 -0.10 0.00 -0.74 0.00 0.00 36.82 38.43 2x36 h ILE 860 CO 0.08 0.27 0.62 0.58 0.00 0.00 0.00 178.15 179.70 2x36 h VAL 861 N 0.02 0.64 0.03 1.67 2.07 -1.17 0.35 116.25 119.87 2x36 h VAL 861 Ca 0.04 -0.22 -0.00 0.00 0.82 0.00 0.00 66.70 67.34 2x36 h VAL 861 Cb 0.42 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.14 2x36 h VAL 861 CO 0.01 0.12 -0.01 0.74 0.02 0.00 0.00 177.57 178.44 2x36 h THR 862 N 0.64 1.14 -0.64 2.57 2.02 -1.13 0.20 112.91 117.70 2x36 h THR 862 Ca 0.58 -1.72 0.06 0.00 0.77 0.00 0.00 66.41 66.10 2x36 h THR 862 Cb 1.08 2.10 -0.08 0.00 -1.74 0.00 0.00 68.15 69.52 2x36 h THR 862 CO -0.37 0.37 -0.38 0.00 0.37 0.00 0.00 175.52 175.51 2x36 n ALA 863 N -2.63 -0.41 -0.20 6.16 0.00 0.19 -0.76 120.51 122.86 2x36 n ALA 863 Ca -0.07 0.55 -0.07 0.00 0.00 0.00 0.00 53.44 53.85 2x36 n ALA 863 Cb 0.31 -0.02 0.03 0.00 0.00 0.00 0.00 19.45 19.77 2x36 n ALA 863 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2x36 h LEU 864 N 0.00 0.71 -0.71 0.00 3.38 -0.61 -1.40 115.31 116.68 2x36 h LEU 864 Ca 0.10 -0.10 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 2x36 h LEU 864 Cb 0.26 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2x36 h LEU 864 CO -0.60 0.60 -0.20 -0.07 0.09 0.00 0.00 178.44 178.26 2x36 h LEU 865 N 0.76 0.78 0.79 1.67 3.38 0.62 -1.12 115.31 122.19 2x36 h LEU 865 Ca 0.20 -0.27 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 2x36 h LEU 865 Cb 0.06 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 40.60 2x36 h LEU 865 CO -0.03 0.97 -0.38 -1.28 0.09 0.00 0.00 178.44 177.81 2x36 h SER 866 N 0.68 -0.89 -0.48 -0.43 0.87 -0.10 -0.13 113.55 113.07 2x36 h SER 866 Ca 0.10 0.03 0.10 0.00 -1.23 0.00 0.00 61.79 60.78 2x36 h SER 866 Cb 0.71 0.23 -0.09 0.00 -0.44 0.00 0.00 62.40 62.80 2x36 h SER 866 CO 0.05 -0.63 -0.14 0.25 -0.53 0.00 0.00 176.83 175.84 2x36 h LEU 867 N -1.08 -0.50 -0.43 2.23 5.85 -1.21 0.20 115.31 120.37 2x36 h LEU 867 Ca -0.11 0.15 0.05 0.00 0.84 0.00 0.00 57.88 58.82 2x36 h LEU 867 Cb 0.81 0.32 -0.05 0.00 0.37 0.00 0.00 40.66 42.12 2x36 h LEU 867 CO 0.18 -0.18 0.16 0.00 -0.34 0.00 0.00 178.44 178.26 2x36 h ALA 868 N 1.44 0.51 0.00 1.25 0.00 -0.92 -1.54 119.26 120.00 2x36 h ALA 868 Ca 0.23 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.19 2x36 h ALA 868 Cb 0.38 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2x36 h ALA 868 CO -0.51 -0.23 0.00 -1.33 0.00 0.00 0.00 179.25 177.18 2x36 n MET 869 N -5.00 0.01 -2.92 0.00 2.81 -0.08 -4.86 117.12 107.06 2x36 n MET 869 Ca 0.03 0.02 -0.14 0.00 -1.81 0.00 0.00 57.70 55.81 2x36 n MET 869 Cb 0.16 -1.51 0.03 0.00 -0.71 0.00 0.00 33.22 31.20 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 1.38 0.02 2.83 3.03 0.00 -0.03 -5.01 105.19 107.42 2x36 n GLY 870 Ca 0.07 -0.19 -0.17 0.00 0.00 0.00 0.00 46.02 45.73 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 -5.49 0.08 0.64 1.61 3.52 -0.65 -4.88 118.95 113.78 2x36 s ARG 871 Ca 0.26 0.49 -0.17 0.00 -0.13 0.00 0.00 55.73 56.18 2x36 s ARG 871 Cb -0.12 -0.51 -0.01 0.00 -1.56 0.00 0.00 34.95 32.76 2x36 s ARG 871 CO 0.32 -0.40 1.17 -1.25 -0.81 0.00 0.00 175.30 174.34 2x36 s PRO 872 N 2.31 2.75 0.40 5.12 0.04 -1.26 -4.51 135.00 139.85 2x36 s PRO 872 Ca 0.04 1.67 -0.24 0.00 0.04 0.00 0.00 61.00 62.51 2x36 s PRO 872 Cb -0.13 -1.92 -0.09 0.00 0.04 0.00 0.00 34.50 32.40 2x36 s PRO 872 CO -0.08 -1.34 1.02 0.08 0.04 0.00 0.00 177.00 176.72 2x36 s VAL 873 N -1.90 3.90 0.17 -0.36 1.01 -1.26 -4.92 120.40 117.04 2x36 s VAL 873 Ca 0.73 1.41 -0.31 0.00 0.00 0.00 0.00 61.98 63.82 2x36 s VAL 873 Cb -0.27 -3.70 -0.17 0.00 0.00 0.00 0.00 36.38 32.24 2x36 s VAL 873 CO 0.38 -0.04 0.76 -2.11 0.00 0.00 0.00 175.10 174.09 2x36 n ARG 874 N -0.12 0.33 -1.06 2.72 1.85 -0.67 -4.92 116.66 114.78 2x36 n ARG 874 Ca 0.05 0.12 -0.34 0.00 -1.00 0.00 0.00 57.85 56.68 2x36 n ARG 874 Cb 0.51 -1.31 0.12 0.00 -1.05 0.00 0.00 32.46 30.72 2x36 n ARG 874 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 2x36 n GLN 875 N 1.14 0.10 -3.21 2.89 6.02 -1.26 -4.18 117.38 118.88 2x36 n GLN 875 Ca 0.17 0.10 -0.12 0.00 -0.01 0.00 0.00 57.00 57.14 2x36 n GLN 875 Cb 0.23 -2.28 0.05 0.00 1.02 0.00 0.00 30.24 29.26 2x36 n GLN 875 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 2x36 n ASN 876 N -2.68 -6.91 -3.70 1.08 5.15 -1.26 -5.02 115.26 101.92 2x36 n ASN 876 Ca 0.12 -0.56 -0.11 0.00 -0.60 0.00 0.00 54.58 53.44 2x36 n ASN 876 Cb 0.51 -5.19 -0.11 0.00 -0.53 0.00 0.00 39.78 34.46 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 -5.07 -0.03 0.17 1.20 2.96 -1.26 -4.18 118.68 112.48 2x36 s LEU 877 Ca 0.34 0.83 0.09 0.00 -0.22 0.00 0.00 54.13 55.17 2x36 s LEU 877 Cb -0.05 1.24 -0.04 0.00 0.50 0.00 0.00 46.19 47.84 2x36 s LEU 877 CO 0.75 -0.19 -0.18 0.00 -1.32 0.00 0.00 176.35 175.40 2x36 s ALA 878 N 1.41 2.06 -0.04 5.97 0.00 -0.01 -4.35 121.76 126.80 2x36 s ALA 878 Ca -0.09 -1.52 -0.16 0.00 0.00 0.00 0.00 51.96 50.19 2x36 s ALA 878 Cb -0.09 -0.19 0.03 0.00 0.00 0.00 0.00 23.12 22.87 2x36 s ALA 878 CO -0.12 0.24 0.35 0.00 0.00 0.00 0.00 175.76 176.23 2x36 s MET 879 N -2.87 0.66 -0.06 0.00 0.23 -0.31 -0.08 119.30 116.88 2x36 s MET 879 Ca 0.17 -0.02 -0.03 0.00 -1.03 0.00 0.00 55.69 54.78 2x36 s MET 879 Cb -0.05 0.30 0.03 0.00 -1.53 0.00 0.00 34.83 33.57 2x36 s MET 879 CO 0.07 -0.17 0.13 -0.08 -2.03 0.00 0.00 175.02 172.94 2x36 s THR 880 N -1.03 -0.04 0.00 3.16 -1.32 -0.69 -2.75 115.64 112.97 2x36 s THR 880 Ca -0.11 0.13 0.00 0.00 -1.21 0.00 0.00 61.69 60.51 2x36 s THR 880 Cb -0.04 -0.21 0.00 0.00 -1.51 0.00 0.00 72.50 70.73 2x36 s THR 880 CO 0.04 0.05 0.00 0.61 -2.21 0.00 0.00 174.62 173.11 2x36 n GLY 881 N 3.88 1.56 3.71 6.08 0.00 0.22 -3.78 105.19 116.87 2x36 n GLY 881 Ca -0.23 0.26 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.07 4.46 -0.12 1.61 2.12 -1.19 -1.95 118.70 123.56 2x36 s GLU 882 Ca 0.00 1.68 -0.00 0.00 0.36 0.00 0.00 54.97 57.00 2x36 s GLU 882 Cb 0.00 -3.38 -0.02 0.00 0.26 0.00 0.00 34.13 30.99 2x36 s GLU 882 CO 0.00 -0.21 -0.11 0.54 -0.54 0.00 0.00 175.26 174.93 2x36 s VAL 883 N 1.09 3.22 0.98 3.70 0.11 -1.26 0.42 120.40 128.66 2x36 s VAL 883 Ca 0.57 -0.61 -0.13 0.00 -2.93 0.00 0.00 61.98 58.88 2x36 s VAL 883 Cb -0.27 -2.35 0.18 0.00 -1.53 0.00 0.00 36.38 32.40 2x36 s VAL 883 CO 0.29 0.53 1.13 -0.94 -3.33 0.00 0.00 175.10 172.78 2x36 s SER 884 N 0.18 2.90 0.21 3.54 1.04 0.17 -4.72 113.70 117.02 2x36 s SER 884 Ca -0.07 0.94 -0.04 0.00 0.48 0.00 0.00 55.95 57.27 2x36 s SER 884 Cb -0.15 -1.48 0.18 0.00 0.10 0.00 0.00 66.02 64.67 2x36 s SER 884 CO 0.05 -2.93 1.61 0.25 0.98 0.00 0.00 173.24 173.19 2x36 h LEU 885 N -1.76 0.74 -1.75 2.42 6.46 -1.88 -2.65 115.31 116.89 2x36 h LEU 885 Ca -0.51 -0.29 0.00 0.00 -0.12 0.00 0.00 57.88 56.96 2x36 h LEU 885 Cb 1.32 -0.21 0.00 0.00 -0.73 0.00 0.00 40.66 41.05 2x36 h LEU 885 CO 0.56 0.99 0.00 0.35 -0.62 0.00 0.00 178.44 179.72 2x36 n THR 886 N -4.09 0.62 -0.14 1.05 -2.24 -1.26 -4.38 114.28 103.85 2x36 n THR 886 Ca -0.01 -0.63 0.00 0.00 -2.27 0.00 0.00 64.05 61.14 2x36 n THR 886 Cb 0.46 0.33 0.00 0.00 -2.10 0.00 0.00 70.33 69.03 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 1.26 0.79 3.77 3.38 0.00 -1.00 -4.97 105.19 108.41 2x36 n GLY 887 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.86 3.90 -0.24 1.61 2.36 -1.26 -0.43 119.74 124.82 2x36 s LYS 888 Ca 0.00 1.88 -0.07 0.00 -2.55 0.00 0.00 55.97 55.23 2x36 s LYS 888 Cb 0.00 -2.57 -0.03 0.00 -1.05 0.00 0.00 37.83 34.18 2x36 s LYS 888 CO 0.00 -0.47 0.07 0.42 1.55 0.00 0.00 175.35 176.92 2x36 s ILE 889 N -1.43 4.33 0.16 5.43 1.01 -0.60 0.43 121.20 130.54 2x36 s ILE 889 Ca 0.60 -0.17 0.07 0.00 0.00 0.00 0.00 60.65 61.15 2x36 s ILE 889 Cb -0.31 -3.02 -0.04 0.00 0.01 0.00 0.00 42.46 39.10 2x36 s ILE 889 CO 0.39 0.35 0.02 -0.76 0.00 0.00 0.00 174.94 174.94 2x36 s LEU 890 N 1.53 3.40 0.72 2.97 1.02 0.17 -4.77 118.68 123.72 2x36 s LEU 890 Ca 0.06 -0.33 -0.16 0.00 0.02 0.00 0.00 54.13 53.72 2x36 s LEU 890 Cb -0.15 -2.05 0.03 0.00 0.02 0.00 0.00 46.19 44.04 2x36 s LEU 890 CO 0.04 0.10 1.24 -2.16 0.02 0.00 0.00 176.35 175.59 2x36 s PRO 891 N -2.89 2.13 0.29 1.29 0.04 -1.26 -3.18 135.00 131.42 2x36 s PRO 891 Ca 0.28 1.89 0.02 0.00 0.04 0.00 0.00 61.00 63.23 2x36 s PRO 891 Cb -0.10 -1.82 -0.05 0.00 0.04 0.00 0.00 34.50 32.58 2x36 s PRO 891 CO 0.19 -1.88 0.11 0.14 0.04 0.00 0.00 177.00 175.61 2x36 s VAL 892 N -1.79 0.55 0.59 -0.36 -7.23 -1.26 -4.79 120.40 106.10 2x36 s VAL 892 Ca 0.77 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.94 2x36 s VAL 892 Cb -0.33 -2.59 0.04 0.00 0.56 0.00 0.00 36.38 34.06 2x36 s VAL 892 CO 0.45 0.00 0.83 -0.83 -0.31 0.00 0.00 175.10 175.24 2x36 s GLY 893 N -3.37 1.80 -1.05 2.32 0.00 -1.26 -4.78 107.32 100.98 2x36 s GLY 893 Ca 0.36 -1.25 -0.06 0.00 0.00 0.00 0.00 44.72 43.78 2x36 s GLY 893 CO 0.15 -0.93 0.92 0.61 0.00 0.00 0.00 173.10 173.85 2x36 n GLY 894 N -2.48 -1.12 0.09 0.20 0.00 -1.26 -4.93 105.19 95.69 2x36 n GLY 894 Ca 0.08 0.57 -0.12 0.00 0.00 0.00 0.00 46.02 46.54 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 -1.10 1.01 -0.22 -0.61 1.08 -1.95 -2.90 117.51 112.82 2x36 h ILE 895 Ca -0.60 -2.77 -0.04 0.00 -0.39 0.00 0.00 64.86 61.06 2x36 h ILE 895 Cb 1.31 2.58 -0.01 0.00 -3.07 0.00 0.00 36.82 37.63 2x36 h ILE 895 CO 0.44 0.70 -0.01 0.50 -0.69 0.00 0.00 178.15 179.09 2x36 h LYS 896 N 0.03 0.40 -0.86 2.37 3.64 -1.91 -1.81 116.57 118.42 2x36 h LYS 896 Ca -0.26 -0.13 0.01 0.00 -1.27 0.00 0.00 60.65 59.00 2x36 h LYS 896 Cb 1.98 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 33.73 2x36 h LYS 896 CO 0.11 0.59 0.57 0.93 -2.27 0.00 0.00 179.45 179.37 2x36 h GLU 897 N 0.16 1.14 0.10 1.90 3.07 -1.95 -1.32 114.58 117.67 2x36 h GLU 897 Ca 0.06 -0.07 -0.27 0.00 -0.50 0.00 0.00 59.36 58.58 2x36 h GLU 897 Cb 0.41 -0.25 -0.01 0.00 -0.84 0.00 0.00 28.75 28.06 2x36 h GLU 897 CO 0.01 0.76 -1.30 0.87 -1.40 0.00 0.00 179.01 177.95 2x36 h LYS 898 N 1.17 0.20 -0.01 2.33 1.57 -1.45 -0.77 116.57 119.61 2x36 h LYS 898 Ca 0.31 -0.34 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 2x36 h LYS 898 Cb -0.13 0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 2x36 h LYS 898 CO -0.07 1.11 -0.01 1.15 -0.57 0.00 0.00 179.45 181.06 2x36 h THR 899 N 0.05 1.39 -0.80 -0.16 2.02 -1.17 -0.35 112.91 113.90 2x36 h THR 899 Ca -0.15 -1.19 0.14 0.00 0.77 0.00 0.00 66.41 65.98 2x36 h THR 899 Cb 1.95 2.17 -0.06 0.00 -1.74 0.00 0.00 68.15 70.47 2x36 h THR 899 CO 0.17 0.31 0.53 0.40 0.37 0.00 0.00 175.52 177.30 2x36 h ILE 900 N -0.45 0.83 0.13 3.11 2.04 -1.22 0.14 117.51 122.08 2x36 h ILE 900 Ca 0.00 -0.19 -0.28 0.00 1.00 0.00 0.00 64.86 65.40 2x36 h ILE 900 Cb 0.52 0.23 0.03 0.00 -0.74 0.00 0.00 36.82 36.86 2x36 h ILE 900 CO 0.00 0.10 -1.16 0.00 0.00 0.00 0.00 178.15 177.10 2x36 h ALA 901 N 1.63 -0.03 -0.72 1.87 0.00 -0.98 -1.53 119.26 119.49 2x36 h ALA 901 Ca 0.39 -0.75 -0.04 0.00 0.00 0.00 0.00 54.91 54.51 2x36 h ALA 901 Cb 0.74 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 2x36 h ALA 901 CO -0.15 0.61 0.29 0.00 0.00 0.00 0.00 179.25 180.00 2x36 h ALA 902 N 0.24 1.15 -0.49 0.00 0.00 0.57 -2.76 119.26 117.97 2x36 h ALA 902 Ca -0.18 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.43 2x36 h ALA 902 Cb 1.86 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 19.35 2x36 h ALA 902 CO 0.22 0.61 -0.15 -0.22 0.00 0.00 0.00 179.25 179.71 2x36 h LYS 903 N 1.04 0.97 -0.79 0.00 3.64 -0.66 -0.88 116.57 119.89 2x36 h LYS 903 Ca 0.24 -0.39 0.02 0.00 -1.27 0.00 0.00 60.65 59.25 2x36 h LYS 903 Cb 0.20 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 31.93 2x36 h LYS 903 CO -0.02 1.06 0.52 0.00 -2.27 0.00 0.00 179.45 178.73 2x36 h ARG 904 N 0.82 1.01 0.00 1.90 3.08 -1.21 -3.17 114.38 116.81 2x36 h ARG 904 Ca 0.12 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.11 2x36 h ARG 904 Cb 0.72 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 30.54 2x36 h ARG 904 CO 0.05 0.67 0.00 0.00 -1.07 0.00 0.00 179.97 179.62 2x36 h ALA 905 N 1.31 1.00 0.00 0.04 0.00 -1.39 -3.47 119.26 116.74 2x36 h ALA 905 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.21 2x36 h ALA 905 Cb -0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2x36 h ALA 905 CO -0.08 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.58 2x36 n GLY 906 N 0.78 0.82 3.71 0.00 0.00 -0.94 -5.07 105.19 104.50 2x36 n GLY 906 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.00 4.59 -0.77 1.61 1.01 -0.38 -4.91 120.40 119.55 2x36 s VAL 907 Ca 0.00 1.86 0.09 0.00 0.00 0.00 0.00 61.98 63.93 2x36 s VAL 907 Cb 0.00 -4.19 -0.01 0.00 0.00 0.00 0.00 36.38 32.18 2x36 s VAL 907 CO 0.00 0.15 0.57 1.07 0.00 0.00 0.00 175.10 176.89 2x36 n THR 908 N 3.88 0.00 -3.99 3.92 5.66 -1.26 -4.33 114.28 118.16 2x36 n THR 908 Ca 0.07 -0.41 -0.31 0.00 -3.05 0.00 0.00 64.05 60.35 2x36 n THR 908 Cb 0.49 1.10 -0.15 0.00 -1.55 0.00 0.00 70.33 70.23 2x36 n THR 908 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2x36 s ILE 910 N 0.59 5.30 -0.23 0.00 -4.36 -0.17 -0.83 121.20 121.51 2x36 s ILE 910 Ca 0.12 -0.11 -0.05 0.00 -0.26 0.00 0.00 60.65 60.35 2x36 s ILE 910 Cb -0.21 -3.42 -0.02 0.00 1.25 0.00 0.00 42.46 40.07 2x36 s ILE 910 CO -0.06 0.41 -0.00 -0.69 0.24 0.00 0.00 174.94 174.84 2x36 s VAL 911 N -1.21 3.71 0.13 8.37 1.01 0.89 0.21 120.40 133.51 2x36 s VAL 911 Ca 0.23 -0.38 0.07 0.00 0.00 0.00 0.00 61.98 61.91 2x36 s VAL 911 Cb -0.12 -2.70 -0.04 0.00 0.00 0.00 0.00 36.38 33.51 2x36 s VAL 911 CO 0.14 0.40 -0.17 -0.76 0.00 0.00 0.00 175.10 174.70 2x36 s LEU 912 N 1.47 2.38 0.14 3.92 1.43 0.32 -1.71 118.68 126.63 2x36 s LEU 912 Ca 0.05 -0.78 -0.35 0.00 -1.03 0.00 0.00 54.13 52.03 2x36 s LEU 912 Cb -0.15 -0.73 -0.15 0.00 0.03 0.00 0.00 46.19 45.19 2x36 s LEU 912 CO -0.01 -0.05 1.47 -2.65 0.23 0.00 0.00 176.35 175.35 2x36 n PRO 913 N 0.66 1.76 -0.33 1.29 -0.02 -1.25 -1.64 135.00 135.47 2x36 n PRO 913 Ca -0.16 0.63 0.17 0.00 -2.02 0.00 0.00 63.50 62.12 2x36 n PRO 913 Cb 0.56 -2.34 0.37 0.00 -0.02 0.00 0.00 33.50 32.07 2x36 n PRO 913 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2x36 h ALA 914 N 5.26 1.70 0.00 3.55 0.00 -1.46 -2.23 119.26 126.08 2x36 h ALA 914 Ca -0.46 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2x36 h ALA 914 Cb 1.29 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.15 2x36 h ALA 914 CO 0.84 -0.33 0.00 0.93 0.00 0.00 0.00 179.25 180.69 2x36 h GLU 915 N 0.49 0.00 -0.24 0.00 5.08 -1.90 -1.96 114.58 116.05 2x36 h GLU 915 Ca 0.63 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.99 2x36 h GLU 915 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 2x36 h GLU 915 CO -0.51 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 177.59 2x36 n ASN 916 N -2.79 0.54 -0.17 1.42 4.13 -0.84 -4.15 115.26 113.40 2x36 n ASN 916 Ca 0.02 -2.02 -0.03 0.00 1.68 0.00 0.00 54.58 54.24 2x36 n ASN 916 Cb 0.36 -0.14 0.07 0.00 -1.54 0.00 0.00 39.78 38.53 2x36 n ASN 916 CO 0.00 0.00 0.00 0.50 0.28 0.00 0.00 177.26 178.04 2x36 h LYS 917 N 0.35 0.35 -0.69 3.52 3.64 -1.36 -2.61 116.57 119.76 2x36 h LYS 917 Ca 0.00 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.28 2x36 h LYS 917 Cb 0.19 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.90 2x36 h LYS 917 CO 0.01 0.23 0.14 -0.22 -2.27 0.00 0.00 179.45 177.34 2x36 h LYS 918 N 0.36 1.13 -0.29 1.90 3.64 -1.83 -2.35 116.57 119.13 2x36 h LYS 918 Ca 0.25 -0.29 -0.03 0.00 -1.27 0.00 0.00 60.65 59.31 2x36 h LYS 918 Cb 0.27 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 2x36 h LYS 918 CO -0.25 1.01 0.03 -0.44 -2.27 0.00 0.00 179.45 177.52 2x36 h ASP 919 N 1.06 0.39 -0.13 4.20 3.32 -1.77 -2.55 116.42 120.93 2x36 h ASP 919 Ca 0.21 -0.06 -0.06 0.00 0.02 0.00 0.00 57.03 57.15 2x36 h ASP 919 Cb 0.41 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.86 2x36 h ASP 919 CO 0.01 0.43 -0.15 0.15 -1.72 0.00 0.00 179.24 177.96 2x36 h PHE 920 N 0.41 0.41 0.00 4.55 3.57 -1.05 -3.18 116.94 121.66 2x36 h PHE 920 Ca 0.10 -0.13 0.00 0.00 3.53 0.00 0.00 57.97 61.47 2x36 h PHE 920 Cb 0.24 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 38.89 2x36 h PHE 920 CO 0.01 0.75 0.00 0.66 -2.23 0.00 0.00 178.31 177.50 2x36 n TYR 921 N -4.56 0.89 0.53 0.41 4.01 -1.14 -1.98 117.16 115.33 2x36 n TYR 921 Ca -0.06 0.28 0.08 0.00 -0.16 0.00 0.00 57.90 58.03 2x36 n TYR 921 Cb 0.37 -0.95 0.35 0.00 -0.31 0.00 0.00 39.34 38.80 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 -2.25 0.06 -4.88 7.72 9.92 -0.96 -4.83 116.55 121.34 2x36 n ASP 922 Ca 0.05 0.51 -0.30 0.00 -0.53 0.00 0.00 54.79 54.52 2x36 n ASP 922 Cb 0.39 -0.53 0.00 0.00 -0.64 0.00 0.00 41.12 40.35 2x36 n ASP 922 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2x36 s LEU 923 N -3.13 3.37 0.42 0.64 1.43 -0.84 -5.00 118.68 115.56 2x36 s LEU 923 Ca 0.07 1.30 -0.24 0.00 -1.03 0.00 0.00 54.13 54.24 2x36 s LEU 923 Cb 0.10 -4.32 -0.08 0.00 0.03 0.00 0.00 46.19 41.92 2x36 s LEU 923 CO 0.30 -0.77 1.13 0.00 0.23 0.00 0.00 176.35 177.25 2x36 s ALA 924 N -3.01 3.09 0.37 4.21 0.00 -1.26 -4.81 121.76 120.34 2x36 s ALA 924 Ca 0.53 0.88 0.17 0.00 0.00 0.00 0.00 51.96 53.55 2x36 s ALA 924 Cb -0.11 -3.35 1.11 0.00 0.00 0.00 0.00 23.12 20.77 2x36 s ALA 924 CO 0.50 -0.47 1.69 0.00 0.00 0.00 0.00 175.76 177.47 2x36 h ALA 925 N 2.45 2.11 -0.03 0.00 0.00 -1.94 0.35 119.26 122.20 2x36 h ALA 925 Ca -0.49 0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.57 2x36 h ALA 925 Cb 1.23 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 2x36 h ALA 925 CO 0.62 -0.66 0.03 0.35 0.00 0.00 0.00 179.25 179.59 2x36 h PHE 926 N 0.35 0.00 0.12 0.00 3.57 -1.95 -1.58 116.94 117.45 2x36 h PHE 926 Ca 0.70 0.00 -0.28 0.00 3.53 0.00 0.00 57.97 61.92 2x36 h PHE 926 Cb 1.71 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 40.44 2x36 h PHE 926 CO -0.01 0.00 -1.41 0.82 -2.23 0.00 0.00 178.31 175.48 2x36 h ILE 927 N 0.00 1.04 0.16 1.41 2.04 -0.66 -3.42 117.51 118.08 2x36 h ILE 927 Ca 0.01 -2.41 -0.35 0.00 1.00 0.00 0.00 64.86 63.11 2x36 h ILE 927 Cb 0.08 2.74 -0.00 0.00 -0.74 0.00 0.00 36.82 38.89 2x36 h ILE 927 CO -0.00 0.72 -1.82 0.71 0.00 0.00 0.00 178.15 177.76 2x36 h THR 928 N -0.27 0.84 -2.69 -0.27 1.35 -1.11 -3.45 112.91 107.31 2x36 h THR 928 Ca -0.30 -2.48 -0.56 0.00 -0.55 0.00 0.00 66.41 62.52 2x36 h THR 928 Cb 1.78 2.67 0.07 0.00 -1.73 0.00 0.00 68.15 70.95 2x36 h THR 928 CO 0.07 0.86 0.78 -0.62 -0.25 0.00 0.00 175.52 176.36 2x36 n GLU 929 N -3.54 2.31 0.00 4.72 1.02 -0.64 -1.93 120.64 122.59 2x36 n GLU 929 Ca -0.26 0.83 0.00 0.00 -0.02 0.00 0.00 57.16 57.70 2x36 n GLU 929 Cb 1.07 -2.57 0.00 0.00 -0.02 0.00 0.00 31.44 29.92 2x36 n GLU 929 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2x36 n GLY 930 N 2.75 2.36 3.69 0.62 0.00 -1.26 -5.01 105.19 108.34 2x36 n GLY 930 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 2x36 n GLY 930 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2x36 s LEU 931 N 0.00 4.26 -0.28 0.99 1.43 -0.81 -4.95 118.68 119.31 2x36 s LEU 931 Ca 0.00 1.25 -0.23 0.00 -1.03 0.00 0.00 54.13 54.13 2x36 s LEU 931 Cb 0.00 -3.22 -0.01 0.00 0.03 0.00 0.00 46.19 42.99 2x36 s LEU 931 CO 0.00 -0.27 0.74 -0.70 0.23 0.00 0.00 176.35 176.36 2x36 s GLU 932 N 1.44 4.03 -0.07 1.70 2.12 0.84 -5.04 118.70 123.72 2x36 s GLU 932 Ca 0.40 0.61 0.03 0.00 0.36 0.00 0.00 54.97 56.37 2x36 s GLU 932 Cb -0.18 -3.70 0.01 0.00 0.26 0.00 0.00 34.13 30.52 2x36 s GLU 932 CO 0.17 -0.58 -0.17 0.54 -0.54 0.00 0.00 175.26 174.69 2x36 s VAL 933 N 2.79 1.48 -0.09 3.70 0.11 -1.26 -1.00 120.40 126.14 2x36 s VAL 933 Ca 0.31 -0.69 0.01 0.00 -2.93 0.00 0.00 61.98 58.68 2x36 s VAL 933 Cb -0.15 -1.31 -0.02 0.00 -1.53 0.00 0.00 36.38 33.37 2x36 s VAL 933 CO 0.11 0.43 -0.12 -1.00 -3.33 0.00 0.00 175.10 171.19 2x36 s HIS 934 N 0.48 2.81 -0.25 1.54 3.76 0.13 -4.97 115.29 118.78 2x36 s HIS 934 Ca -0.15 -0.32 -0.04 0.00 -0.15 0.00 0.00 55.06 54.40 2x36 s HIS 934 Cb -0.16 -1.75 0.01 0.00 1.11 0.00 0.00 32.58 31.79 2x36 s HIS 934 CO 0.05 0.04 -0.01 -0.06 -0.85 0.00 0.00 174.74 173.92 2x36 s PHE 935 N -0.25 3.06 -0.08 1.40 0.08 -1.26 -0.52 117.98 120.40 2x36 s PHE 935 Ca 0.02 -1.18 0.02 0.00 0.12 0.00 0.00 56.93 55.91 2x36 s PHE 935 Cb -0.13 -2.13 -0.02 0.00 -0.57 0.00 0.00 43.02 40.16 2x36 s PHE 935 CO 0.03 -0.62 -0.13 0.14 -0.10 0.00 0.00 175.22 174.53 2x36 s VAL 936 N 1.43 3.10 -0.07 -0.44 -7.23 -0.65 -4.66 120.40 111.87 2x36 s VAL 936 Ca 0.03 -0.68 0.04 0.00 -1.81 0.00 0.00 61.98 59.55 2x36 s VAL 936 Cb -0.16 -2.25 -0.25 0.00 0.56 0.00 0.00 36.38 34.28 2x36 s VAL 936 CO -0.02 0.57 0.54 -0.33 -0.31 0.00 0.00 175.10 175.55 2x36 h GLU 937 N 5.87 0.13 -3.64 4.82 5.08 -1.89 -1.10 114.58 123.84 2x36 h GLU 937 Ca -0.38 -0.22 -0.18 0.00 -1.00 0.00 0.00 59.36 57.59 2x36 h GLU 937 Cb 1.18 0.08 -0.23 0.00 0.50 0.00 0.00 28.75 30.28 2x36 h GLU 937 CO 0.53 0.83 -0.60 -1.58 -1.00 0.00 0.00 179.01 177.19 2x36 s HIS 938 N -2.58 0.05 0.67 4.33 5.04 -1.26 -1.55 115.29 119.98 2x36 s HIS 938 Ca -0.13 -0.10 0.41 0.00 -1.54 0.00 0.00 55.06 53.70 2x36 s HIS 938 Cb 0.07 -0.06 2.21 0.00 0.04 0.00 0.00 32.58 34.84 2x36 s HIS 938 CO 0.80 -0.17 2.24 -0.92 -2.34 0.00 0.00 174.74 174.36 2x36 h TYR 939 N 5.04 0.00 -0.71 3.88 3.20 -1.07 -1.43 116.97 125.88 2x36 h TYR 939 Ca -0.29 0.00 0.05 0.00 3.14 0.00 0.00 58.73 61.64 2x36 h TYR 939 Cb 1.20 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 39.42 2x36 h TYR 939 CO 0.54 0.00 0.42 -0.09 -1.64 0.00 0.00 178.16 177.39 2x36 h ARG 940 N 0.00 0.76 -0.39 1.82 9.65 -1.96 -0.72 114.38 123.54 2x36 h ARG 940 Ca 0.00 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.84 2x36 h ARG 940 Cb 0.20 -0.17 -0.02 0.00 -1.39 0.00 0.00 29.97 28.59 2x36 h ARG 940 CO 0.00 0.50 0.25 0.93 2.80 0.00 0.00 179.97 184.45 2x36 h GLU 941 N 0.78 0.51 -0.85 0.20 5.08 -1.67 -2.90 114.58 115.73 2x36 h GLU 941 Ca 0.31 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.63 2x36 h GLU 941 Cb 0.15 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.24 2x36 h GLU 941 CO -0.16 0.35 0.51 0.82 -1.00 0.00 0.00 179.01 179.53 2x36 h ILE 942 N 0.52 1.24 -0.53 3.13 2.04 -1.48 -1.43 117.51 120.99 2x36 h ILE 942 Ca 0.14 -0.52 0.02 0.00 1.00 0.00 0.00 64.86 65.50 2x36 h ILE 942 Cb -0.04 0.04 -0.03 0.00 -0.74 0.00 0.00 36.82 36.05 2x36 h ILE 942 CO -0.03 0.25 0.35 0.15 0.00 0.00 0.00 178.15 178.87 2x36 h PHE 943 N 1.17 0.63 0.00 1.37 3.04 -0.96 0.14 116.94 122.33 2x36 h PHE 943 Ca 0.30 0.02 -0.11 0.00 3.98 0.00 0.00 57.97 62.16 2x36 h PHE 943 Cb -0.04 -0.21 -0.02 0.00 2.56 0.00 0.00 35.95 38.24 2x36 h PHE 943 CO 0.01 0.38 -0.52 -0.44 -2.02 0.00 0.00 178.31 175.72 2x36 h ASP 944 N 0.67 0.00 0.04 0.41 3.32 -1.12 -1.78 116.42 117.95 2x36 h ASP 944 Ca 0.20 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 56.95 2x36 h ASP 944 Cb 0.00 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 2x36 h ASP 944 CO -0.05 0.52 -1.66 -0.38 -1.72 0.00 0.00 179.24 175.95 2x36 n ILE 945 N -3.27 1.60 -0.05 0.35 5.41 -1.00 -3.64 119.36 118.76 2x36 n ILE 945 Ca 0.02 -0.26 0.03 0.00 1.00 0.00 0.00 62.75 63.53 2x36 n ILE 945 Cb 0.72 -1.91 0.38 0.00 -0.71 0.00 0.00 39.64 38.11 2x36 n ILE 945 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2x36 h ALA 946 N -0.37 1.65 -2.80 -1.39 0.00 -0.80 -3.36 119.26 112.19 2x36 h ALA 946 Ca -0.42 -0.04 -0.61 0.00 0.00 0.00 0.00 54.91 53.85 2x36 h ALA 946 Cb 1.57 -0.20 -0.40 0.00 0.00 0.00 0.00 17.79 18.76 2x36 h ALA 946 CO -0.15 0.33 -0.76 -0.06 0.00 0.00 0.00 179.25 178.61 2x36 s PHE 947 N -5.57 2.26 -2.23 0.00 0.08 -0.67 -1.68 117.98 110.17 2x36 s PHE 947 Ca -0.09 -2.73 0.30 0.00 0.12 0.00 0.00 56.93 54.53 2x36 s PHE 947 Cb 0.17 -1.85 1.52 0.00 -0.57 0.00 0.00 43.02 42.30 2x36 s PHE 947 CO 0.74 -0.71 2.01 -0.35 -0.10 0.00 0.00 175.22 176.81