#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1l7d s LYS 802 N 0.00 3.42 -0.08 0.03 2.20 -1.26 -0.52 119.74 123.52 1l7d s LYS 802 Ca 0.00 -0.65 0.03 0.00 -0.36 0.00 0.00 55.97 55.00 1l7d s LYS 802 Cb 0.00 -2.78 -0.01 0.00 -1.51 0.00 0.00 37.83 33.53 1l7d s LYS 802 CO 0.00 0.09 -0.19 -1.50 -0.36 0.00 0.00 175.35 173.39 1l7d s ILE 803 N 0.68 2.57 0.01 5.43 2.07 -0.04 -0.50 121.20 131.42 1l7d s ILE 803 Ca -0.05 -0.87 0.07 0.00 -1.41 0.00 0.00 60.65 58.39 1l7d s ILE 803 Cb -0.15 -2.00 -0.02 0.00 0.13 0.00 0.00 42.46 40.42 1l7d s ILE 803 CO 0.02 0.56 -0.20 0.00 -1.91 0.00 0.00 174.94 173.41 1l7d s ALA 804 N -0.05 1.70 -0.16 1.50 0.00 0.09 -1.39 121.76 123.46 1l7d s ALA 804 Ca -0.05 -0.96 0.00 0.00 0.00 0.00 0.00 51.96 50.95 1l7d s ALA 804 Cb -0.14 -0.38 0.03 0.00 0.00 0.00 0.00 23.12 22.63 1l7d s ALA 804 CO 0.04 0.40 -0.10 0.42 0.00 0.00 0.00 175.76 176.53 1l7d s ILE 805 N -0.64 1.35 0.53 0.00 1.09 -0.38 -1.73 121.20 121.43 1l7d s ILE 805 Ca 0.07 -0.65 0.04 0.00 -1.10 0.00 0.00 60.65 59.01 1l7d s ILE 805 Cb -0.08 -1.39 0.04 0.00 -1.06 0.00 0.00 42.46 39.96 1l7d s ILE 805 CO 0.01 0.28 0.74 -2.16 -0.10 0.00 0.00 174.94 173.71 1l7d s PRO 806 N 1.55 2.52 0.41 2.79 0.04 -1.26 -1.72 135.00 139.33 1l7d s PRO 806 Ca 0.02 -1.04 -0.24 0.00 0.04 0.00 0.00 61.00 59.79 1l7d s PRO 806 Cb -0.14 -2.57 -0.09 0.00 0.04 0.00 0.00 34.50 31.74 1l7d s PRO 806 CO -0.09 -0.67 1.05 0.21 0.04 0.00 0.00 177.00 177.54 1l7d s LYS 807 N -4.67 4.13 -0.05 4.56 2.20 -1.26 -4.77 119.74 119.88 1l7d s LYS 807 Ca 0.58 1.49 -0.30 0.00 -0.36 0.00 0.00 55.97 57.38 1l7d s LYS 807 Cb -0.09 -2.49 -0.02 0.00 -1.51 0.00 0.00 37.83 33.71 1l7d s LYS 807 CO 0.37 -0.17 1.06 -1.21 -0.36 0.00 0.00 175.35 175.04 1l7d s GLU 808 N -2.58 4.44 -0.00 4.03 0.41 -1.26 -4.95 118.70 118.79 1l7d s GLU 808 Ca 0.59 1.49 0.17 0.00 -0.41 0.00 0.00 54.97 56.81 1l7d s GLU 808 Cb -0.21 -3.51 -0.20 0.00 -1.78 0.00 0.00 34.13 28.43 1l7d s GLU 808 CO 0.27 -0.27 0.64 0.54 -0.49 0.00 0.00 175.26 175.95 1l7d n ARG 809 N 4.66 1.27 -2.19 1.61 1.74 -1.26 -4.89 116.66 117.60 1l7d n ARG 809 Ca 0.09 -0.03 -0.37 0.00 -0.77 0.00 0.00 57.85 56.76 1l7d n ARG 809 Cb 0.49 -1.32 -0.00 0.00 -1.02 0.00 0.00 32.46 30.61 1l7d n ARG 809 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1l7d s ARG 810 N -2.71 3.60 0.07 5.56 0.52 -1.26 -4.90 118.95 119.83 1l7d s ARG 810 Ca 0.04 1.81 -0.36 0.00 -0.52 0.00 0.00 55.73 56.69 1l7d s ARG 810 Cb 0.12 -2.32 -0.15 0.00 0.52 0.00 0.00 34.95 33.12 1l7d s ARG 810 CO 0.69 -0.69 1.48 -0.35 0.02 0.00 0.00 175.30 176.46 1l7d n PRO 811 N -0.70 1.54 -0.16 3.54 -0.04 -1.26 -2.46 135.00 135.45 1l7d n PRO 811 Ca 0.08 0.56 0.00 0.00 -0.04 0.00 0.00 63.50 64.10 1l7d n PRO 811 Cb 0.48 -2.26 0.00 0.00 -0.04 0.00 0.00 33.50 31.69 1l7d n PRO 811 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1l7d n GLY 812 N 3.07 2.62 3.60 0.55 0.00 -1.26 -4.99 105.19 108.76 1l7d n GLY 812 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 1l7d n GLY 812 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1l7d s GLU 813 N -0.02 3.57 0.00 1.61 2.56 -1.03 -4.85 118.70 120.54 1l7d s GLU 813 Ca 0.00 0.70 0.17 0.00 0.00 0.00 0.00 54.97 55.84 1l7d s GLU 813 Cb 0.00 -4.00 0.12 0.00 2.00 0.00 0.00 34.13 32.25 1l7d s GLU 813 CO 0.00 -1.58 1.03 -0.25 -0.56 0.00 0.00 175.26 173.90 1l7d n ASP 814 N 8.62 2.35 -4.90 -1.70 10.43 -1.26 -4.78 116.55 125.31 1l7d n ASP 814 Ca 0.14 -1.68 -0.28 0.00 2.57 0.00 0.00 54.79 55.54 1l7d n ASP 814 Cb 0.49 0.06 0.06 0.00 1.84 0.00 0.00 41.12 43.56 1l7d n ASP 814 CO 0.00 0.00 0.00 -0.13 -1.07 0.00 0.00 177.20 176.00 1l7d s ARG 815 N -1.51 2.55 -0.06 -1.24 0.52 -1.26 -3.27 118.95 114.68 1l7d s ARG 815 Ca 0.20 0.16 -0.07 0.00 -0.52 0.00 0.00 55.73 55.49 1l7d s ARG 815 Cb 0.14 -2.09 0.02 0.00 0.52 0.00 0.00 34.95 33.54 1l7d s ARG 815 CO 0.24 -1.13 0.18 0.54 0.02 0.00 0.00 175.30 175.16 1l7d s VAL 816 N -3.31 0.01 -0.32 3.52 0.11 -1.26 -4.50 120.40 114.65 1l7d s VAL 816 Ca 0.58 -0.12 -0.06 0.00 -2.93 0.00 0.00 61.98 59.46 1l7d s VAL 816 Cb -0.11 -0.30 -0.14 0.00 -1.53 0.00 0.00 36.38 34.30 1l7d s VAL 816 CO 0.48 -0.07 3.26 0.00 -3.33 0.00 0.00 175.10 175.45 1l7d n ALA 817 N 2.69 6.51 -3.63 1.54 0.00 -1.26 -4.62 120.51 121.74 1l7d n ALA 817 Ca -0.14 -2.43 -0.05 0.00 0.00 0.00 0.00 53.44 50.81 1l7d n ALA 817 Cb 0.58 -2.36 -0.02 0.00 0.00 0.00 0.00 19.45 17.65 1l7d n ALA 817 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 1l7d s ILE 818 N -0.02 0.00 0.09 0.00 1.10 -1.26 -4.73 121.20 116.37 1l7d s ILE 818 Ca 0.64 -0.32 -0.25 0.00 -0.51 0.00 0.00 60.65 60.21 1l7d s ILE 818 Cb 0.32 -1.53 0.07 0.00 0.15 0.00 0.00 42.46 41.48 1l7d s ILE 818 CO -0.08 0.00 0.61 -0.94 -2.11 0.00 0.00 174.94 172.42 1l7d s SER 819 N -2.72 -0.57 0.20 4.50 1.04 -1.26 -4.53 113.70 110.36 1l7d s SER 819 Ca 0.09 0.21 -0.10 0.00 0.48 0.00 0.00 55.95 56.63 1l7d s SER 819 Cb -0.01 0.57 0.25 0.00 0.10 0.00 0.00 66.02 66.94 1l7d s SER 819 CO -0.03 -0.84 1.75 -0.65 0.98 0.00 0.00 173.24 174.44 1l7d h PRO 820 N 2.36 0.40 -0.62 4.02 0.11 -1.95 0.14 132.00 136.45 1l7d h PRO 820 Ca -0.32 -0.02 0.05 0.00 0.11 0.00 0.00 66.00 65.82 1l7d h PRO 820 Cb 1.25 -0.09 -0.05 0.00 0.11 0.00 0.00 31.00 32.22 1l7d h PRO 820 CO 0.39 0.26 0.35 0.93 -0.21 0.00 0.00 178.00 179.72 1l7d h GLU 821 N 0.41 0.64 -0.16 1.05 5.08 -1.96 -1.35 114.58 118.30 1l7d h GLU 821 Ca 0.29 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.52 1l7d h GLU 821 Cb 0.34 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1l7d h GLU 821 CO -0.29 0.43 -0.33 0.28 -1.00 0.00 0.00 179.01 178.10 1l7d h VAL 822 N 0.66 1.28 -0.52 3.13 2.07 -1.78 -2.41 116.25 118.68 1l7d h VAL 822 Ca 0.27 -1.36 -0.01 0.00 0.82 0.00 0.00 66.70 66.42 1l7d h VAL 822 Cb 0.13 1.53 -0.02 0.00 -1.52 0.00 0.00 31.29 31.40 1l7d h VAL 822 CO -0.16 0.42 0.30 0.58 0.02 0.00 0.00 177.57 178.74 1l7d h VAL 823 N 0.28 1.16 -0.63 2.57 2.07 0.05 -0.74 116.25 121.02 1l7d h VAL 823 Ca 0.03 -0.39 0.03 0.00 0.82 0.00 0.00 66.70 67.20 1l7d h VAL 823 Cb 0.72 0.48 -0.04 0.00 -1.52 0.00 0.00 31.29 30.93 1l7d h VAL 823 CO 0.06 0.17 0.39 0.11 0.02 0.00 0.00 177.57 178.31 1l7d h LYS 824 N 0.70 0.74 -0.55 1.57 1.57 -0.90 -1.24 116.57 118.45 1l7d h LYS 824 Ca 0.19 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.87 1l7d h LYS 824 Cb 0.01 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.13 1l7d h LYS 824 CO -0.03 0.49 0.13 0.87 -0.57 0.00 0.00 179.45 180.34 1l7d h LYS 825 N 0.76 0.89 -0.38 3.15 1.79 -0.98 -1.82 116.57 119.97 1l7d h LYS 825 Ca 0.25 -0.21 -0.03 0.00 -2.18 0.00 0.00 60.65 58.48 1l7d h LYS 825 Cb 0.03 -0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 30.54 1l7d h LYS 825 CO -0.11 0.83 0.13 -0.07 -1.08 0.00 0.00 179.45 179.15 1l7d h LEU 826 N 0.79 0.54 -1.05 2.94 3.38 -0.84 -2.13 115.31 118.95 1l7d h LEU 826 Ca 0.17 -0.20 0.02 0.00 0.09 0.00 0.00 57.88 57.97 1l7d h LEU 826 Cb 0.34 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.90 1l7d h LEU 826 CO 0.00 0.59 0.64 0.58 0.09 0.00 0.00 178.44 180.35 1l7d h VAL 827 N 0.46 1.21 0.00 1.22 2.07 -1.15 -0.96 116.25 119.10 1l7d h VAL 827 Ca 0.12 -0.44 -0.04 0.00 0.82 0.00 0.00 66.70 67.17 1l7d h VAL 827 Cb 0.24 -0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 29.83 1l7d h VAL 827 CO -0.01 0.23 -0.17 1.23 0.02 0.00 0.00 177.57 178.88 1l7d h GLY 828 N 1.27 0.00 0.75 2.17 0.00 -0.91 -1.06 103.07 105.30 1l7d h GLY 828 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.70 1l7d h GLY 828 CO -0.10 0.00 -0.07 1.04 0.00 0.00 0.00 176.54 177.41 1l7d n LEU 829 N -3.72 0.50 0.00 3.11 4.77 -0.60 -4.89 117.00 116.17 1l7d n LEU 829 Ca -0.02 -0.06 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 1l7d n LEU 829 Cb 0.29 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 1l7d n LEU 829 CO 0.32 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 1l7d n GLY 830 N 1.21 0.90 3.83 -0.72 0.00 -0.40 -4.29 105.19 105.71 1l7d n GLY 830 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 1l7d n GLY 830 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1l7d s PHE 831 N -2.00 3.35 -0.37 1.61 0.40 -0.47 -3.83 117.98 116.67 1l7d s PHE 831 Ca 0.00 1.52 -0.12 0.00 -0.60 0.00 0.00 56.93 57.73 1l7d s PHE 831 Cb 0.00 -2.79 0.02 0.00 0.51 0.00 0.00 43.02 40.75 1l7d s PHE 831 CO 0.00 -0.14 0.23 -2.00 0.70 0.00 0.00 175.22 174.02 1l7d s GLU 832 N -3.35 3.02 -0.26 0.44 2.12 0.32 -4.19 118.70 116.79 1l7d s GLU 832 Ca 0.60 -0.96 -0.11 0.00 0.36 0.00 0.00 54.97 54.86 1l7d s GLU 832 Cb -0.09 -3.80 -0.05 0.00 0.26 0.00 0.00 34.13 30.45 1l7d s GLU 832 CO 0.17 -0.65 0.19 0.08 -0.54 0.00 0.00 175.26 174.51 1l7d s VAL 833 N 1.62 5.32 -0.12 3.70 1.01 -1.26 -0.86 120.40 129.81 1l7d s VAL 833 Ca 0.04 0.19 0.03 0.00 0.00 0.00 0.00 61.98 62.24 1l7d s VAL 833 Cb -0.19 -3.53 0.01 0.00 0.00 0.00 0.00 36.38 32.67 1l7d s VAL 833 CO 0.08 0.28 -0.22 -0.63 0.00 0.00 0.00 175.10 174.61 1l7d s ILE 834 N 1.51 2.00 -0.05 2.22 1.01 -0.48 -0.71 121.20 126.70 1l7d s ILE 834 Ca 0.08 -0.97 0.05 0.00 0.00 0.00 0.00 60.65 59.81 1l7d s ILE 834 Cb -0.15 -1.75 -0.01 0.00 0.01 0.00 0.00 42.46 40.56 1l7d s ILE 834 CO 0.09 0.54 -0.20 -0.69 0.00 0.00 0.00 174.94 174.68 1l7d s VAL 835 N 0.59 1.62 0.23 2.92 1.01 -0.45 -1.25 120.40 125.07 1l7d s VAL 835 Ca -0.13 -0.83 -0.30 0.00 0.00 0.00 0.00 61.98 60.72 1l7d s VAL 835 Cb -0.17 -1.38 -0.10 0.00 0.00 0.00 0.00 36.38 34.73 1l7d s VAL 835 CO 0.04 0.46 1.41 -0.70 0.00 0.00 0.00 175.10 176.31 1l7d s GLU 836 N -0.04 4.29 0.30 2.72 2.12 -0.70 -0.74 118.70 126.65 1l7d s GLU 836 Ca -0.03 2.24 -0.30 0.00 0.36 0.00 0.00 54.97 57.24 1l7d s GLU 836 Cb -0.12 -3.13 -0.13 0.00 0.26 0.00 0.00 34.13 31.01 1l7d s GLU 836 CO 0.03 -0.39 1.39 0.00 -0.54 0.00 0.00 175.26 175.74 1l7d n GLN 837 N 2.48 2.19 -0.96 4.30 10.64 0.10 -1.88 117.38 134.26 1l7d n GLN 837 Ca 0.07 0.77 0.00 0.00 -1.83 0.00 0.00 57.00 56.01 1l7d n GLN 837 Cb 0.41 -2.42 0.00 0.00 -0.86 0.00 0.00 30.24 27.37 1l7d n GLN 837 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1l7d n GLY 838 N 1.50 0.71 0.25 2.61 0.00 -1.26 -4.90 105.19 104.09 1l7d n GLY 838 Ca 0.08 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.18 1l7d n GLY 838 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1l7d h ALA 839 N 0.00 1.75 -0.13 4.61 0.00 -1.71 -2.79 119.26 120.99 1l7d h ALA 839 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1l7d h ALA 839 Cb 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1l7d h ALA 839 CO 0.00 0.12 0.00 0.41 0.00 0.00 0.00 179.25 179.78 1l7d n GLY 840 N -1.19 0.96 0.29 0.00 0.00 -1.25 -4.57 105.19 99.42 1l7d n GLY 840 Ca -0.03 -0.64 -0.02 0.00 0.00 0.00 0.00 46.02 45.33 1l7d n GLY 840 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1l7d h VAL 841 N 4.04 0.26 0.00 1.61 2.07 -1.56 0.25 116.25 122.92 1l7d h VAL 841 Ca 0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 1l7d h VAL 841 Cb 0.87 0.26 -0.00 0.00 -1.52 0.00 0.00 31.29 30.89 1l7d h VAL 841 CO 0.00 0.00 -0.09 1.23 0.02 0.00 0.00 177.57 178.73 1l7d h GLY 842 N -0.07 0.00 -2.55 2.17 0.00 -1.81 -1.73 103.07 99.08 1l7d h GLY 842 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.61 1l7d h GLY 842 CO -0.69 0.00 0.00 0.00 0.00 0.00 0.00 176.54 175.85 1l7d n ALA 843 N -2.34 2.39 -2.61 3.60 0.00 0.71 -4.44 120.51 117.83 1l7d n ALA 843 Ca -0.02 -1.21 -0.22 0.00 0.00 0.00 0.00 53.44 51.99 1l7d n ALA 843 Cb 0.18 -0.94 0.01 0.00 0.00 0.00 0.00 19.45 18.70 1l7d n ALA 843 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1l7d n SER 844 N 1.54 -6.04 -4.24 0.00 7.64 -0.22 -4.39 113.62 107.91 1l7d n SER 844 Ca 0.23 -0.11 -0.37 0.00 1.01 0.00 0.00 58.87 59.63 1l7d n SER 844 Cb 0.59 -4.97 -0.12 0.00 -1.01 0.00 0.00 64.21 58.69 1l7d n SER 844 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1l7d s ILE 845 N -3.10 3.61 0.56 0.44 1.01 -0.30 -5.00 121.20 118.42 1l7d s ILE 845 Ca 0.10 -1.27 -0.14 0.00 0.00 0.00 0.00 60.65 59.34 1l7d s ILE 845 Cb -0.04 -3.09 -0.06 0.00 0.01 0.00 0.00 42.46 39.27 1l7d s ILE 845 CO 0.13 -0.22 1.01 0.42 0.00 0.00 0.00 174.94 176.27 1l7d s THR 846 N 1.35 4.56 0.22 2.92 -4.23 -1.26 -3.66 115.64 115.55 1l7d s THR 846 Ca -0.01 1.06 -0.08 0.00 -1.18 0.00 0.00 61.69 61.47 1l7d s THR 846 Cb -0.20 -3.76 0.19 0.00 1.34 0.00 0.00 72.50 70.07 1l7d s THR 846 CO 0.01 -0.87 1.88 0.44 -0.54 0.00 0.00 174.62 175.54 1l7d h ASP 847 N 0.36 0.89 -0.76 3.99 3.32 -1.97 -2.18 116.42 120.07 1l7d h ASP 847 Ca -0.46 -0.01 0.01 0.00 0.02 0.00 0.00 57.03 56.59 1l7d h ASP 847 Cb 1.19 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 40.50 1l7d h ASP 847 CO 0.61 0.62 0.50 0.44 -1.72 0.00 0.00 179.24 179.70 1l7d h ASP 848 N 1.05 0.86 -0.63 6.45 3.32 -1.98 0.66 116.42 126.14 1l7d h ASP 848 Ca 0.32 -0.02 -0.07 0.00 0.02 0.00 0.00 57.03 57.28 1l7d h ASP 848 Cb -0.03 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.28 1l7d h ASP 848 CO -0.10 0.62 0.11 0.00 -1.72 0.00 0.00 179.24 178.15 1l7d h ALA 849 N 1.53 0.84 -0.34 3.45 0.00 -1.79 0.04 119.26 122.99 1l7d h ALA 849 Ca 0.28 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 1l7d h ALA 849 Cb -0.10 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 1l7d h ALA 849 CO -0.06 0.59 -0.11 -0.07 0.00 0.00 0.00 179.25 179.60 1l7d h LEU 850 N 0.95 0.68 -0.61 0.00 -0.00 -0.95 -1.94 115.31 113.43 1l7d h LEU 850 Ca 0.19 -0.38 -0.00 0.00 -0.00 0.00 0.00 57.88 57.69 1l7d h LEU 850 Cb 0.42 -0.19 -0.03 0.00 -0.00 0.00 0.00 40.66 40.87 1l7d h LEU 850 CO 0.01 0.90 0.37 0.74 -0.00 0.00 0.00 178.44 180.46 1l7d h THR 851 N 0.45 1.18 -0.70 0.22 2.02 -0.74 -1.75 112.91 113.58 1l7d h THR 851 Ca 0.08 -0.41 -0.02 0.00 0.77 0.00 0.00 66.41 66.84 1l7d h THR 851 Cb 0.62 0.35 -0.03 0.00 -1.74 0.00 0.00 68.15 67.34 1l7d h THR 851 CO 0.04 0.19 0.38 0.00 0.37 0.00 0.00 175.52 176.49 1l7d h ALA 852 N 1.18 1.34 0.00 6.16 0.00 -0.89 -1.37 119.26 125.67 1l7d h ALA 852 Ca 0.22 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1l7d h ALA 852 Cb -0.01 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.49 1l7d h ALA 852 CO -0.04 0.54 0.00 0.00 0.00 0.00 0.00 179.25 179.75 1l7d n ALA 853 N -2.43 1.59 0.00 0.00 0.00 -0.74 -4.86 120.51 114.07 1l7d n ALA 853 Ca 0.07 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1l7d n ALA 853 Cb 0.11 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.17 1l7d n ALA 853 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1l7d n GLY 854 N -0.15 0.96 3.94 0.00 0.00 -0.52 -3.98 105.19 105.44 1l7d n GLY 854 Ca 0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.79 1l7d n GLY 854 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1l7d s ALA 855 N -1.84 3.42 -0.07 4.61 0.00 -0.72 -4.72 121.76 122.44 1l7d s ALA 855 Ca 0.00 -0.97 0.04 0.00 0.00 0.00 0.00 51.96 51.03 1l7d s ALA 855 Cb 0.00 -2.44 -0.02 0.00 0.00 0.00 0.00 23.12 20.67 1l7d s ALA 855 CO 0.00 -0.96 -0.20 0.95 0.00 0.00 0.00 175.76 175.55 1l7d s THR 856 N -3.00 2.50 -0.06 0.00 -4.23 0.11 -4.18 115.64 106.78 1l7d s THR 856 Ca 0.57 -0.90 -0.19 0.00 -1.18 0.00 0.00 61.69 59.98 1l7d s THR 856 Cb -0.11 -1.96 -0.05 0.00 1.34 0.00 0.00 72.50 71.73 1l7d s THR 856 CO 0.43 0.57 0.54 -0.63 -0.54 0.00 0.00 174.62 174.98 1l7d s ILE 857 N -0.20 5.06 -0.11 2.99 -1.09 -1.26 -1.34 121.20 125.26 1l7d s ILE 857 Ca -0.02 1.10 -0.05 0.00 -2.23 0.00 0.00 60.65 59.46 1l7d s ILE 857 Cb -0.13 -3.87 -0.04 0.00 -1.58 0.00 0.00 42.46 36.84 1l7d s ILE 857 CO 0.03 0.37 0.07 0.00 -1.23 0.00 0.00 174.94 174.19 1l7d s ALA 858 N 0.22 3.58 0.24 9.38 0.00 0.08 -4.89 121.76 130.36 1l7d s ALA 858 Ca 0.29 -0.72 -0.02 0.00 0.00 0.00 0.00 51.96 51.51 1l7d s ALA 858 Cb -0.17 -1.74 0.26 0.00 0.00 0.00 0.00 23.12 21.48 1l7d s ALA 858 CO 0.14 0.58 1.65 0.77 0.00 0.00 0.00 175.76 178.90 1l7d h SER 859 N 5.15 0.65 -3.46 0.00 0.02 -1.95 0.30 113.55 114.26 1l7d h SER 859 Ca -0.52 -0.24 -0.42 0.00 -0.84 0.00 0.00 61.79 59.77 1l7d h SER 859 Cb 1.21 -0.18 -0.14 0.00 0.14 0.00 0.00 62.40 63.43 1l7d h SER 859 CO 0.57 0.89 -0.69 0.42 -1.14 0.00 0.00 176.83 176.88 1l7d s THR 860 N -4.49 1.39 0.19 -2.27 -4.23 -1.26 -4.62 115.64 100.34 1l7d s THR 860 Ca -0.08 -2.10 -0.12 0.00 -1.18 0.00 0.00 61.69 58.20 1l7d s THR 860 Cb 0.13 -2.24 0.10 0.00 1.34 0.00 0.00 72.50 71.84 1l7d s THR 860 CO 0.82 -0.44 1.84 0.00 -0.54 0.00 0.00 174.62 176.29 1l7d h ALA 861 N 2.48 0.80 -0.21 3.99 0.00 -1.97 -1.72 119.26 122.62 1l7d h ALA 861 Ca -0.38 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.50 1l7d h ALA 861 Cb 1.22 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 1l7d h ALA 861 CO 0.65 0.26 -0.01 0.00 0.00 0.00 0.00 179.25 180.14 1l7d h ALA 862 N 1.21 0.18 -0.11 0.00 0.00 -1.96 -1.24 119.26 117.33 1l7d h ALA 862 Ca 0.23 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 55.13 1l7d h ALA 862 Cb -0.05 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1l7d h ALA 862 CO -0.04 -0.44 -0.25 1.96 0.00 0.00 0.00 179.25 180.47 1l7d h GLN 863 N 0.05 0.19 -0.15 0.00 4.20 -1.91 0.70 115.11 118.19 1l7d h GLN 863 Ca 0.10 -0.06 -0.04 0.00 0.06 0.00 0.00 58.65 58.71 1l7d h GLN 863 Cb 0.13 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 27.89 1l7d h GLN 863 CO -0.18 0.44 -0.07 0.00 -0.67 0.00 0.00 178.83 178.34 1l7d h ALA 864 N 1.57 0.21 0.00 3.87 0.00 -0.75 -3.22 119.26 120.94 1l7d h ALA 864 Ca 0.03 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1l7d h ALA 864 Cb 0.54 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1l7d h ALA 864 CO 0.04 0.01 -0.18 -0.07 0.00 0.00 0.00 179.25 179.04 1l7d h LEU 865 N -0.02 0.00 0.00 0.00 3.38 -1.15 -3.42 115.31 114.09 1l7d h LEU 865 Ca 0.03 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1l7d h LEU 865 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1l7d h LEU 865 CO 0.02 0.01 0.00 -0.24 0.09 0.00 0.00 178.44 178.32 1l7d n SER 866 N -2.72 0.00 -1.12 -0.43 2.88 0.23 -1.97 113.62 110.50 1l7d n SER 866 Ca 0.04 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.58 1l7d n SER 866 Cb 0.50 0.00 0.23 0.00 -0.75 0.00 0.00 64.21 64.18 1l7d n SER 866 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 1l7d n GLN 867 N -0.49 2.38 -2.13 -1.46 -0.06 -1.26 -4.40 117.38 109.95 1l7d n GLN 867 Ca 0.00 -3.02 -0.41 0.00 -2.00 0.00 0.00 57.00 51.57 1l7d n GLN 867 Cb 0.00 -1.86 -0.02 0.00 -4.06 0.00 0.00 30.24 24.30 1l7d n GLN 867 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1l7d s ALA 868 N -3.06 3.51 -0.12 1.69 0.00 -0.83 -4.82 121.76 118.13 1l7d s ALA 868 Ca 0.44 1.23 0.17 0.00 0.00 0.00 0.00 51.96 53.81 1l7d s ALA 868 Cb 0.38 -3.48 -0.17 0.00 0.00 0.00 0.00 23.12 19.86 1l7d s ALA 868 CO 0.05 -0.62 0.72 -0.25 0.00 0.00 0.00 175.76 175.65 1l7d n ASP 869 N 1.22 0.72 -3.97 0.00 8.00 0.35 -4.46 116.55 118.40 1l7d n ASP 869 Ca 0.01 0.32 -0.19 0.00 0.71 0.00 0.00 54.79 55.64 1l7d n ASP 869 Cb 0.42 0.35 -0.15 0.00 -0.02 0.00 0.00 41.12 41.72 1l7d n ASP 869 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1l7d s VAL 870 N -2.90 0.63 -0.07 2.53 1.01 -0.82 -0.66 120.40 120.12 1l7d s VAL 870 Ca -0.04 -0.27 0.03 0.00 0.00 0.00 0.00 61.98 61.70 1l7d s VAL 870 Cb 0.09 -0.58 0.01 0.00 0.00 0.00 0.00 36.38 35.89 1l7d s VAL 870 CO 0.82 0.21 -0.16 -0.69 0.00 0.00 0.00 175.10 175.28 1l7d s VAL 871 N 0.27 1.42 -0.10 2.92 1.01 0.10 -0.73 120.40 125.30 1l7d s VAL 871 Ca -0.04 -0.66 0.02 0.00 0.00 0.00 0.00 61.98 61.30 1l7d s VAL 871 Cb -0.08 -1.25 -0.01 0.00 0.00 0.00 0.00 36.38 35.03 1l7d s VAL 871 CO 0.00 0.41 -0.18 0.26 0.00 0.00 0.00 175.10 175.60 1l7d s TRP 872 N 0.42 2.68 0.19 5.22 0.52 -0.70 -1.12 118.94 126.14 1l7d s TRP 872 Ca -0.13 -0.67 -0.03 0.00 0.02 0.00 0.00 56.10 55.29 1l7d s TRP 872 Cb -0.15 -1.74 -0.03 0.00 -1.15 0.00 0.00 33.47 30.39 1l7d s TRP 872 CO 0.04 -0.20 0.18 0.15 0.02 0.00 0.00 176.95 177.15 1l7d s LYS 873 N 0.11 1.20 -0.11 4.98 1.02 -0.78 -4.18 119.74 121.98 1l7d s LYS 873 Ca -0.08 -1.50 -0.07 0.00 0.02 0.00 0.00 55.97 54.33 1l7d s LYS 873 Cb -0.15 0.30 -0.02 0.00 -0.52 0.00 0.00 37.83 37.44 1l7d s LYS 873 CO 0.05 -0.41 -0.14 0.28 -0.92 0.00 0.00 175.35 174.21 1l7d n VAL 874 N -0.25 1.12 -4.02 3.17 0.31 -1.26 -4.22 118.33 113.18 1l7d n VAL 874 Ca -0.01 0.28 -0.22 0.00 -0.01 0.00 0.00 64.34 64.39 1l7d n VAL 874 Cb 0.65 -2.21 -0.03 0.00 -0.91 0.00 0.00 33.84 31.34 1l7d n VAL 874 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 1l7d s GLN 875 N -1.99 3.24 0.42 5.55 -0.21 -1.26 -1.31 119.66 124.11 1l7d s GLN 875 Ca -0.12 -0.86 -0.25 0.00 0.02 0.00 0.00 55.36 54.15 1l7d s GLN 875 Cb 0.02 -2.77 -0.10 0.00 1.00 0.00 0.00 33.01 31.15 1l7d s GLN 875 CO 0.17 0.42 1.15 2.89 -2.12 0.00 0.00 175.29 177.80 1l7d n ARG 876 N -1.27 1.64 -1.83 2.91 1.85 -0.83 -4.78 116.66 114.34 1l7d n ARG 876 Ca -0.08 0.58 -0.35 0.00 -1.00 0.00 0.00 57.85 57.00 1l7d n ARG 876 Cb 0.57 -2.21 0.05 0.00 -1.05 0.00 0.00 32.46 29.82 1l7d n ARG 876 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 1l7d s PRO 877 N -2.11 2.73 0.33 2.89 0.04 -1.26 -4.99 135.00 132.63 1l7d s PRO 877 Ca 0.62 1.79 -0.16 0.00 0.04 0.00 0.00 61.00 63.29 1l7d s PRO 877 Cb -0.54 -1.90 -0.09 0.00 0.04 0.00 0.00 34.50 32.01 1l7d s PRO 877 CO 0.57 -1.39 0.76 -1.64 0.04 0.00 0.00 177.00 175.34 1l7d s MET 878 N -3.54 4.04 0.33 4.56 -1.94 -1.26 -4.87 119.30 116.63 1l7d s MET 878 Ca 0.76 0.73 0.05 0.00 -1.71 0.00 0.00 55.69 55.53 1l7d s MET 878 Cb -0.30 -2.43 -0.01 0.00 2.01 0.00 0.00 34.83 34.10 1l7d s MET 878 CO 0.37 0.15 0.47 0.95 -0.01 0.00 0.00 175.02 176.95 1l7d s THR 879 N -1.98 4.32 0.43 2.05 -4.23 -1.26 -0.67 115.64 114.30 1l7d s THR 879 Ca 0.54 -0.93 0.20 0.00 -1.18 0.00 0.00 61.69 60.32 1l7d s THR 879 Cb -0.10 -3.51 0.40 0.00 1.34 0.00 0.00 72.50 70.62 1l7d s THR 879 CO 0.17 -0.22 1.84 0.00 -0.54 0.00 0.00 174.62 175.87 1l7d h ALA 880 N 0.89 2.30 0.00 3.99 0.00 -1.82 0.35 119.26 124.96 1l7d h ALA 880 Ca -0.47 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1l7d h ALA 880 Cb 1.25 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1l7d h ALA 880 CO 0.55 -0.61 0.00 0.93 0.00 0.00 0.00 179.25 180.12 1l7d h GLU 881 N 0.36 0.00 -0.53 0.00 3.07 -1.94 -2.56 114.58 112.97 1l7d h GLU 881 Ca 0.50 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.36 1l7d h GLU 881 Cb 1.33 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.24 1l7d h GLU 881 CO -0.18 0.00 0.00 0.39 -1.40 0.00 0.00 179.01 177.82 1l7d n GLU 882 N -2.50 2.62 0.00 2.33 1.02 0.12 -5.04 120.64 119.20 1l7d n GLU 882 Ca 0.01 -2.37 0.00 0.00 -0.02 0.00 0.00 57.16 54.78 1l7d n GLU 882 Cb 0.20 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.15 1l7d n GLU 882 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1l7d n GLY 883 N 1.30 1.42 3.71 0.62 0.00 -0.97 -4.91 105.19 106.36 1l7d n GLY 883 Ca 0.19 -0.80 -0.41 0.00 0.00 0.00 0.00 46.02 45.01 1l7d n GLY 883 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1l7d s THR 884 N 0.00 4.98 -1.01 2.61 -4.23 -1.26 -4.64 115.64 112.08 1l7d s THR 884 Ca 0.00 1.63 -0.22 0.00 -1.18 0.00 0.00 61.69 61.93 1l7d s THR 884 Cb 0.00 -4.13 0.07 0.00 1.34 0.00 0.00 72.50 69.79 1l7d s THR 884 CO 0.00 0.20 1.37 -0.62 -0.54 0.00 0.00 174.62 175.03 1l7d s ASP 885 N 0.90 6.55 0.30 3.99 -1.08 -1.26 -4.12 116.67 121.96 1l7d s ASP 885 Ca 0.41 -1.66 0.12 0.00 -0.52 0.00 0.00 52.55 50.90 1l7d s ASP 885 Cb -0.18 -2.52 0.47 0.00 -1.46 0.00 0.00 42.92 39.22 1l7d s ASP 885 CO 0.20 -1.37 1.67 -0.33 0.52 0.00 0.00 175.17 175.86 1l7d h GLU 886 N 9.43 0.00 -0.88 4.34 5.08 -1.19 -3.07 114.58 128.30 1l7d h GLU 886 Ca 0.20 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1l7d h GLU 886 Cb 1.01 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.21 1l7d h GLU 886 CO 1.34 0.54 0.56 0.28 -1.00 0.00 0.00 179.01 180.74 1l7d h VAL 887 N 0.00 1.23 0.00 3.13 2.07 -1.85 -1.54 116.25 119.30 1l7d h VAL 887 Ca -0.01 -0.46 -0.01 0.00 0.82 0.00 0.00 66.70 67.05 1l7d h VAL 887 Cb 0.97 -0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 30.70 1l7d h VAL 887 CO 0.07 0.23 -0.02 0.00 0.02 0.00 0.00 177.57 177.87 1l7d h ALA 888 N 1.31 1.32 0.00 1.67 0.00 -1.86 -1.71 119.26 119.99 1l7d h ALA 888 Ca 0.32 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.18 1l7d h ALA 888 Cb -0.11 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1l7d h ALA 888 CO -0.07 0.03 -0.12 -0.07 0.00 0.00 0.00 179.25 179.02 1l7d h LEU 889 N 0.00 0.00 -9.55 0.00 4.07 -1.36 -3.44 115.31 105.03 1l7d h LEU 889 Ca -0.00 0.00 -0.53 0.00 0.08 0.00 0.00 57.88 57.43 1l7d h LEU 889 Cb 0.09 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 41.80 1l7d h LEU 889 CO 0.00 0.12 0.28 -0.63 -1.08 0.00 0.00 178.44 177.13 1l7d s ILE 890 N -3.29 4.60 0.67 1.22 1.01 -0.65 -4.16 121.20 120.59 1l7d s ILE 890 Ca 0.05 1.88 -0.17 0.00 0.00 0.00 0.00 60.65 62.41 1l7d s ILE 890 Cb 0.07 -4.24 -0.00 0.00 0.01 0.00 0.00 42.46 38.30 1l7d s ILE 890 CO 0.66 0.34 1.24 1.17 0.00 0.00 0.00 174.94 178.34 1l7d n LYS 891 N 2.80 0.96 0.00 2.79 4.81 -1.26 -4.95 118.16 123.31 1l7d n LYS 891 Ca 0.00 0.39 0.00 0.00 -0.87 0.00 0.00 58.31 57.83 1l7d n LYS 891 Cb 0.50 -2.47 0.00 0.00 0.02 0.00 0.00 35.03 33.07 1l7d n LYS 891 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1l7d n GLU 892 N -1.97 0.00 -0.60 1.64 -0.58 -1.26 -2.60 120.64 115.27 1l7d n GLU 892 Ca 0.15 0.50 -0.11 0.00 -0.42 0.00 0.00 57.16 57.28 1l7d n GLU 892 Cb 0.48 -0.93 0.10 0.00 -0.57 0.00 0.00 31.44 30.52 1l7d n GLU 892 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1l7d n GLY 893 N -0.94 3.16 3.82 0.62 0.00 -1.26 -3.19 105.19 107.41 1l7d n GLY 893 Ca 0.00 -0.53 -0.29 0.00 0.00 0.00 0.00 46.02 45.20 1l7d n GLY 893 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1l7d s ALA 894 N -1.64 2.08 -0.17 4.61 0.00 -1.07 -4.70 121.76 120.87 1l7d s ALA 894 Ca 0.28 -0.55 -0.06 0.00 0.00 0.00 0.00 51.96 51.64 1l7d s ALA 894 Cb 0.23 -3.01 -0.04 0.00 0.00 0.00 0.00 23.12 20.31 1l7d s ALA 894 CO 0.06 -2.06 0.02 0.08 0.00 0.00 0.00 175.76 173.86 1l7d s VAL 895 N -3.37 4.46 -0.09 0.00 1.01 0.17 -1.30 120.40 121.27 1l7d s VAL 895 Ca 0.63 -0.16 0.03 0.00 0.00 0.00 0.00 61.98 62.48 1l7d s VAL 895 Cb -0.14 -2.98 -0.01 0.00 0.00 0.00 0.00 36.38 33.25 1l7d s VAL 895 CO 0.52 0.48 -0.19 -0.22 0.00 0.00 0.00 175.10 175.70 1l7d s LEU 896 N 0.26 2.43 -0.09 3.92 2.96 0.14 0.03 118.68 128.32 1l7d s LEU 896 Ca 0.01 -0.40 0.00 0.00 -0.22 0.00 0.00 54.13 53.53 1l7d s LEU 896 Cb -0.13 -1.50 0.02 0.00 0.50 0.00 0.00 46.19 45.08 1l7d s LEU 896 CO 0.01 0.22 -0.08 -0.04 -1.32 0.00 0.00 176.35 175.14 1l7d s MET 897 N 0.02 1.45 0.00 1.98 -1.94 -0.28 -0.10 119.30 120.43 1l7d s MET 897 Ca -0.07 -0.26 -0.28 0.00 -1.71 0.00 0.00 55.69 53.37 1l7d s MET 897 Cb -0.15 -1.44 0.10 0.00 2.01 0.00 0.00 34.83 35.35 1l7d s MET 897 CO 0.05 -0.18 1.26 0.00 -0.01 0.00 0.00 175.02 176.14 1l7d s HIS 899 N -2.12 2.39 -1.10 0.00 5.65 -0.42 -1.59 115.29 118.10 1l7d s HIS 899 Ca 0.26 -0.01 0.28 0.00 0.25 0.00 0.00 55.06 55.83 1l7d s HIS 899 Cb 0.00 -4.56 1.05 0.00 -1.18 0.00 0.00 32.58 27.89 1l7d s HIS 899 CO -0.01 -1.93 1.78 -0.11 -0.65 0.00 0.00 174.74 173.82 1l7d n LEU 900 N 9.00 0.20 -4.01 8.88 7.94 -1.26 -1.96 117.00 135.79 1l7d n LEU 900 Ca 0.03 0.29 -0.30 0.00 -1.11 0.00 0.00 56.01 54.92 1l7d n LEU 900 Cb 0.49 -0.38 0.00 0.00 0.53 0.00 0.00 43.42 44.06 1l7d n LEU 900 CO 0.70 0.05 -0.02 0.61 -1.11 0.00 0.00 177.39 177.62 1l7d n GLY 901 N 1.46 -0.41 0.11 -3.96 0.00 -1.26 -4.74 105.19 96.39 1l7d n GLY 901 Ca 0.08 0.16 -0.10 0.00 0.00 0.00 0.00 46.02 46.16 1l7d n GLY 901 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1l7d h ALA 902 N 0.92 0.25 -0.23 4.61 0.00 -1.91 -1.60 119.26 121.29 1l7d h ALA 902 Ca -0.60 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.17 1l7d h ALA 902 Cb 1.38 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 19.02 1l7d h ALA 902 CO 0.69 -0.25 0.14 1.47 0.00 0.00 0.00 179.25 181.30 1l7d n LEU 903 N -4.93 3.70 0.00 0.00 -0.00 -1.26 -3.05 117.00 111.45 1l7d n LEU 903 Ca -0.03 -1.90 0.00 0.00 -0.00 0.00 0.00 56.01 54.07 1l7d n LEU 903 Cb 0.04 -0.58 0.00 0.00 -0.00 0.00 0.00 43.42 42.88 1l7d n LEU 903 CO 0.34 0.60 0.00 0.35 -0.00 0.00 0.00 177.39 178.68 1l7d n THR 904 N 0.10 0.00 -3.78 1.47 -2.24 -1.15 -4.76 114.28 103.91 1l7d n THR 904 Ca 0.14 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.79 1l7d n THR 904 Cb 0.75 0.69 -0.09 0.00 -2.10 0.00 0.00 70.33 69.59 1l7d n THR 904 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1l7d s ASN 905 N 0.00 -0.17 0.00 3.42 3.84 -0.61 -5.06 114.94 116.35 1l7d s ASN 905 Ca 0.00 0.10 0.00 0.00 0.21 0.00 0.00 52.86 53.17 1l7d s ASN 905 Cb 0.00 0.33 0.00 0.00 -0.55 0.00 0.00 41.25 41.03 1l7d s ASN 905 CO 0.00 -0.40 0.00 0.54 -2.79 0.00 0.00 177.10 174.45 1l7d n ARG 906 N 1.48 0.00 -0.36 0.43 1.74 -1.26 -4.61 116.66 114.08 1l7d n ARG 906 Ca -0.21 0.00 0.29 0.00 -0.77 0.00 0.00 57.85 57.16 1l7d n ARG 906 Cb 0.56 -0.63 0.58 0.00 -1.02 0.00 0.00 32.46 31.95 1l7d n ARG 906 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 1l7d h PRO 907 N 0.00 0.25 -0.04 5.56 0.11 -1.99 0.44 132.00 136.33 1l7d h PRO 907 Ca 0.00 -0.01 -0.18 0.00 0.11 0.00 0.00 66.00 65.91 1l7d h PRO 907 Cb 0.35 -0.06 0.01 0.00 0.11 0.00 0.00 31.00 31.41 1l7d h PRO 907 CO 0.00 0.16 -0.69 -0.24 -0.21 0.00 0.00 178.00 177.03 1l7d h VAL 908 N 0.25 1.37 -0.74 3.15 3.04 -1.91 -2.19 116.25 119.23 1l7d h VAL 908 Ca 0.66 -2.05 -0.03 0.00 -1.01 0.00 0.00 66.70 64.27 1l7d h VAL 908 Cb 1.92 2.41 -0.03 0.00 -2.01 0.00 0.00 31.29 33.58 1l7d h VAL 908 CO -0.29 0.61 0.36 0.58 -1.01 0.00 0.00 177.57 177.82 1l7d h VAL 909 N 0.10 1.23 -0.39 1.51 2.07 -0.98 -0.28 116.25 119.52 1l7d h VAL 909 Ca -0.08 -0.65 -0.03 0.00 0.82 0.00 0.00 66.70 66.76 1l7d h VAL 909 Cb 1.36 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 31.40 1l7d h VAL 909 CO 0.14 0.28 0.13 -0.08 0.02 0.00 0.00 177.57 178.05 1l7d h GLU 910 N 1.04 0.60 -0.67 1.57 4.81 -0.29 -1.07 114.58 120.58 1l7d h GLU 910 Ca 0.26 -0.13 -0.06 0.00 -0.13 0.00 0.00 59.36 59.30 1l7d h GLU 910 Cb 0.10 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.36 1l7d h GLU 910 CO -0.03 0.61 0.19 0.00 -0.73 0.00 0.00 179.01 179.04 1l7d h ALA 911 N 0.97 1.07 -0.51 2.92 0.00 -0.83 -2.21 119.26 120.68 1l7d h ALA 911 Ca 0.13 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 1l7d h ALA 911 Cb 0.25 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1l7d h ALA 911 CO -0.00 0.62 -0.10 -0.07 0.00 0.00 0.00 179.25 179.70 1l7d h LEU 912 N 1.00 0.97 -0.85 0.00 3.38 -0.88 -3.04 115.31 115.89 1l7d h LEU 912 Ca 0.22 -0.35 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 1l7d h LEU 912 Cb 0.31 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 1l7d h LEU 912 CO -0.00 1.10 0.46 0.74 0.09 0.00 0.00 178.44 180.83 1l7d h THR 913 N 0.83 1.25 0.00 0.22 2.02 -0.92 -1.86 112.91 114.44 1l7d h THR 913 Ca 0.13 -0.62 -0.01 0.00 0.77 0.00 0.00 66.41 66.68 1l7d h THR 913 Cb 0.66 0.11 -0.00 0.00 -1.74 0.00 0.00 68.15 67.18 1l7d h THR 913 CO 0.05 0.28 -0.03 0.07 0.37 0.00 0.00 175.52 176.25 1l7d h LYS 914 N 1.18 0.00 -0.65 6.66 2.10 -1.29 -0.82 116.57 123.75 1l7d h LYS 914 Ca 0.30 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.95 1l7d h LYS 914 Cb 0.03 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.36 1l7d h LYS 914 CO -0.05 0.03 0.00 0.54 -2.00 0.00 0.00 179.45 177.98 1l7d n ARG 915 N -3.28 3.04 -3.59 0.07 1.74 -0.78 -4.96 116.66 108.91 1l7d n ARG 915 Ca -0.02 -2.65 -0.27 0.00 -0.77 0.00 0.00 57.85 54.14 1l7d n ARG 915 Cb 0.19 -1.63 0.01 0.00 -1.02 0.00 0.00 32.46 30.01 1l7d n ARG 915 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1l7d n LYS 916 N 1.30 -4.43 -3.12 5.56 5.02 -0.31 -4.01 118.16 118.17 1l7d n LYS 916 Ca 0.23 0.58 -0.39 0.00 -2.02 0.00 0.00 58.31 56.71 1l7d n LYS 916 Cb 0.68 -5.38 -0.05 0.00 -0.02 0.00 0.00 35.03 30.25 1l7d n LYS 916 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1l7d s ILE 917 N -3.13 4.82 -0.36 -0.18 1.01 -0.77 -4.25 121.20 118.34 1l7d s ILE 917 Ca 0.52 1.40 -0.23 0.00 0.00 0.00 0.00 60.65 62.33 1l7d s ILE 917 Cb -0.26 -4.00 0.01 0.00 0.01 0.00 0.00 42.46 38.21 1l7d s ILE 917 CO 0.64 0.41 0.77 -0.89 0.00 0.00 0.00 174.94 175.87 1l7d s THR 918 N -0.20 4.75 -0.12 2.92 2.01 -0.42 -4.25 115.64 120.33 1l7d s THR 918 Ca 0.34 0.88 -0.01 0.00 0.31 0.00 0.00 61.69 63.21 1l7d s THR 918 Cb -0.19 -4.20 -0.02 0.00 0.01 0.00 0.00 72.50 68.10 1l7d s THR 918 CO 0.20 -0.42 -0.08 0.00 -0.69 0.00 0.00 174.62 173.63 1l7d s ALA 919 N 3.07 2.86 -0.27 7.40 0.00 -0.45 0.23 121.76 134.59 1l7d s ALA 919 Ca 0.31 -0.87 -0.04 0.00 0.00 0.00 0.00 51.96 51.36 1l7d s ALA 919 Cb -0.13 -1.33 0.02 0.00 0.00 0.00 0.00 23.12 21.67 1l7d s ALA 919 CO 0.16 0.33 0.01 0.71 0.00 0.00 0.00 175.76 176.98 1l7d s TYR 920 N 0.01 3.11 -0.78 0.00 2.02 0.85 -1.53 117.35 121.03 1l7d s TYR 920 Ca -0.01 -1.30 -0.24 0.00 -0.37 0.00 0.00 57.07 55.14 1l7d s TYR 920 Cb -0.14 -2.15 0.05 0.00 -0.40 0.00 0.00 41.96 39.33 1l7d s TYR 920 CO 0.03 -0.66 1.20 0.00 -1.57 0.00 0.00 175.55 174.55 1l7d s ALA 921 N 1.40 2.91 0.58 3.71 0.00 0.13 -2.95 121.76 127.54 1l7d s ALA 921 Ca 0.01 -1.80 0.28 0.00 0.00 0.00 0.00 51.96 50.45 1l7d s ALA 921 Cb -0.17 -4.17 1.56 0.00 0.00 0.00 0.00 23.12 20.34 1l7d s ALA 921 CO -0.01 -3.17 2.04 0.52 0.00 0.00 0.00 175.76 175.14 1l7d h MET 922 N 9.74 0.00 0.00 0.00 0.00 -1.58 0.00 114.93 123.09 1l7d h MET 922 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 59.70 59.54 1l7d h MET 922 Cb 1.05 0.00 0.00 0.00 0.00 0.00 0.00 31.60 32.65 1l7d h MET 922 CO 1.26 0.00 0.00 -0.85 0.00 0.00 0.00 176.91 177.32 1l7d n GLU 923 N -3.91 0.05 -0.20 1.72 0.00 -1.26 -2.54 120.64 114.50 1l7d n GLU 923 Ca 0.04 0.22 0.10 0.00 0.00 0.00 0.00 57.16 57.53 1l7d n GLU 923 Cb 0.43 -1.58 0.27 0.00 0.00 0.00 0.00 31.44 30.57 1l7d n GLU 923 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1l7d n LEU 924 N -1.66 2.81 -4.69 -1.84 4.77 -0.01 -4.93 117.00 111.44 1l7d n LEU 924 Ca 0.04 -1.28 -0.58 0.00 -0.03 0.00 0.00 56.01 54.16 1l7d n LEU 924 Cb 0.23 -0.26 -0.07 0.00 -2.33 0.00 0.00 43.42 40.99 1l7d n LEU 924 CO 0.18 0.64 1.21 0.80 -1.33 0.00 0.00 177.39 178.89 1l7d n MET 925 N 1.05 0.96 -1.67 3.23 1.56 -1.05 -4.54 117.12 116.66 1l7d n MET 925 Ca 0.18 0.35 -0.44 0.00 -0.27 0.00 0.00 57.70 57.52 1l7d n MET 925 Cb 0.48 -2.00 -0.02 0.00 2.15 0.00 0.00 33.22 33.84 1l7d n MET 925 CO 0.00 0.00 0.00 -2.30 -0.73 0.00 0.00 175.97 172.94 1l7d n PRO 926 N 4.58 1.99 -0.76 2.12 -0.02 -1.26 -4.82 135.00 136.84 1l7d n PRO 926 Ca 0.25 0.70 -0.16 0.00 -2.02 0.00 0.00 63.50 62.28 1l7d n PRO 926 Cb 0.11 -2.31 -0.07 0.00 -0.02 0.00 0.00 33.50 31.21 1l7d n PRO 926 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1l7d n ARG 927 N 1.37 1.82 -4.34 -0.52 3.00 -1.26 -4.77 116.66 111.96 1l7d n ARG 927 Ca 0.09 -1.08 -0.35 0.00 -0.01 0.00 0.00 57.85 56.50 1l7d n ARG 927 Cb 0.33 -2.13 -0.09 0.00 0.00 0.00 0.00 32.46 30.57 1l7d n ARG 927 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.63 178.59 1l7d s ILE 928 N 2.27 4.35 0.31 0.55 -4.36 -1.26 -5.02 121.20 118.04 1l7d s ILE 928 Ca 0.46 -0.27 0.04 0.00 -0.26 0.00 0.00 60.65 60.62 1l7d s ILE 928 Cb 0.17 -2.85 0.37 0.00 1.25 0.00 0.00 42.46 41.41 1l7d s ILE 928 CO -0.02 0.58 1.60 -1.28 0.24 0.00 0.00 174.94 176.06 1l7d h SER 929 N 5.05 -0.25 0.70 4.36 0.87 -2.03 0.19 113.55 122.45 1l7d h SER 929 Ca -0.51 0.25 0.00 0.00 -1.23 0.00 0.00 61.79 60.30 1l7d h SER 929 Cb 1.19 0.39 0.00 0.00 -0.44 0.00 0.00 62.40 63.55 1l7d h SER 929 CO 0.55 -0.31 0.00 -2.11 -0.53 0.00 0.00 176.83 174.43 1l7d n ARG 930 N -5.38 0.12 -0.13 2.24 1.85 -1.26 -2.60 116.66 111.50 1l7d n ARG 930 Ca 0.24 0.33 0.11 0.00 -1.00 0.00 0.00 57.85 57.53 1l7d n ARG 930 Cb 0.79 -1.72 0.29 0.00 -1.05 0.00 0.00 32.46 30.77 1l7d n ARG 930 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1l7d n ALA 931 N -1.67 2.47 -0.17 2.89 0.00 0.68 -4.45 120.51 120.27 1l7d n ALA 931 Ca 0.03 -0.74 -0.02 0.00 0.00 0.00 0.00 53.44 52.71 1l7d n ALA 931 Cb 0.22 -0.98 0.08 0.00 0.00 0.00 0.00 19.45 18.77 1l7d n ALA 931 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1l7d h GLN 932 N 3.27 0.29 0.00 0.00 4.20 -1.55 -0.16 115.11 121.16 1l7d h GLN 932 Ca 0.00 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.69 1l7d h GLN 932 Cb 0.72 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.43 1l7d h GLN 932 CO 0.00 0.19 0.00 -1.13 -0.67 0.00 0.00 178.83 177.22 1l7d n SER 933 N -5.07 0.11 -0.32 1.46 3.41 -1.26 -2.25 113.62 109.71 1l7d n SER 933 Ca 0.06 0.54 0.06 0.00 -0.26 0.00 0.00 58.87 59.27 1l7d n SER 933 Cb 0.25 -0.56 0.01 0.00 -0.26 0.00 0.00 64.21 63.65 1l7d n SER 933 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1l7d n MET 934 N -1.64 1.72 -2.68 4.33 2.81 -0.13 -4.16 117.12 117.37 1l7d n MET 934 Ca 0.02 -0.79 -0.43 0.00 -1.81 0.00 0.00 57.70 54.70 1l7d n MET 934 Cb 0.11 -1.17 -0.03 0.00 -0.71 0.00 0.00 33.22 31.43 1l7d n MET 934 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1l7d s ASP 935 N -1.45 6.46 0.33 7.83 2.15 -0.84 -4.73 116.67 126.42 1l7d s ASP 935 Ca 0.11 0.07 0.15 0.00 0.43 0.00 0.00 52.55 53.31 1l7d s ASP 935 Cb 0.10 -2.51 0.51 0.00 -0.30 0.00 0.00 42.92 40.72 1l7d s ASP 935 CO 0.28 -1.32 1.66 0.16 -0.17 0.00 0.00 175.17 175.78 1l7d h ILE 936 N 6.13 1.09 -0.61 4.11 3.07 -1.90 -2.70 117.51 126.70 1l7d h ILE 936 Ca -0.25 -1.82 -0.02 0.00 1.55 0.00 0.00 64.86 64.33 1l7d h ILE 936 Cb 1.06 2.06 -0.03 0.00 -0.27 0.00 0.00 36.82 39.64 1l7d h ILE 936 CO 1.13 0.47 0.31 -0.07 -1.05 0.00 0.00 178.15 178.94 1l7d h LEU 937 N 0.00 0.78 0.03 0.16 4.07 -1.91 -1.61 115.31 116.84 1l7d h LEU 937 Ca -0.00 -0.12 -0.00 0.00 0.08 0.00 0.00 57.88 57.84 1l7d h LEU 937 Cb 1.02 -0.20 0.00 0.00 1.08 0.00 0.00 40.66 42.56 1l7d h LEU 937 CO 0.06 0.67 -0.02 -1.28 -1.08 0.00 0.00 178.44 176.80 1l7d h SER 938 N 0.83 -0.04 -0.88 -0.43 0.87 -1.93 -0.60 113.55 111.37 1l7d h SER 938 Ca 0.21 -0.46 -0.00 0.00 -1.23 0.00 0.00 61.79 60.31 1l7d h SER 938 Cb 0.09 0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 62.02 1l7d h SER 938 CO -0.03 0.45 0.55 0.77 -0.53 0.00 0.00 176.83 178.04 1l7d h SER 939 N -0.54 1.05 0.08 6.23 4.64 -1.48 -1.21 113.55 122.32 1l7d h SER 939 Ca -0.00 -0.05 -0.21 0.00 -0.47 0.00 0.00 61.79 61.05 1l7d h SER 939 Cb 0.50 -0.26 0.02 0.00 -0.31 0.00 0.00 62.40 62.35 1l7d h SER 939 CO 0.01 0.79 -0.89 1.56 -0.87 0.00 0.00 176.83 177.43 1l7d h GLN 940 N 1.21 0.46 0.00 4.77 1.08 -1.35 -3.24 115.11 118.04 1l7d h GLN 940 Ca 0.32 -0.60 -0.06 0.00 -1.45 0.00 0.00 58.65 56.86 1l7d h GLN 940 Cb -0.08 0.20 -0.01 0.00 -0.05 0.00 0.00 27.48 27.54 1l7d h GLN 940 CO -0.06 1.24 -0.27 0.66 -0.95 0.00 0.00 178.83 179.45 1l7d h SER 941 N -0.05 0.00 -0.28 1.46 4.64 -1.00 -1.36 113.55 116.97 1l7d h SER 941 Ca -0.13 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.18 1l7d h SER 941 Cb 1.62 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.69 1l7d h SER 941 CO 0.17 0.27 0.15 -1.13 -0.87 0.00 0.00 176.83 175.42 1l7d h ASN 942 N 0.00 0.35 -0.00 4.97 -0.00 -1.29 0.24 115.58 119.84 1l7d h ASN 942 Ca -0.00 -0.09 -0.08 0.00 -0.00 0.00 0.00 56.30 56.13 1l7d h ASN 942 Cb 0.49 -0.09 -0.01 0.00 -0.00 0.00 0.00 38.32 38.71 1l7d h ASN 942 CO 0.03 0.33 -0.23 -0.07 -0.00 0.00 0.00 177.43 177.50 1l7d h LEU 943 N 0.33 0.39 -0.97 0.34 4.07 -1.47 -2.59 115.31 115.42 1l7d h LEU 943 Ca 0.10 -0.12 -0.08 0.00 0.08 0.00 0.00 57.88 57.86 1l7d h LEU 943 Cb 0.07 -0.11 -0.02 0.00 1.08 0.00 0.00 40.66 41.68 1l7d h LEU 943 CO -0.02 0.63 -0.11 0.00 -1.08 0.00 0.00 178.44 177.87 1l7d h ALA 944 N 1.40 1.14 -0.51 1.53 0.00 -0.60 -0.49 119.26 121.74 1l7d h ALA 944 Ca 0.06 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 1l7d h ALA 944 Cb 0.61 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1l7d h ALA 944 CO 0.04 0.54 0.23 0.78 0.00 0.00 0.00 179.25 180.84 1l7d h GLY 945 N 0.96 0.79 0.86 0.00 0.00 -0.59 -0.62 103.07 104.47 1l7d h GLY 945 Ca 0.10 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 47.02 1l7d h GLY 945 CO 0.03 0.39 0.05 -1.82 0.00 0.00 0.00 176.54 175.19 1l7d h TYR 946 N 0.67 0.21 -0.18 5.60 5.03 -1.19 -2.97 116.97 124.14 1l7d h TYR 946 Ca 0.17 -0.02 -0.00 0.00 2.58 0.00 0.00 58.73 61.46 1l7d h TYR 946 Cb 0.15 -0.06 -0.01 0.00 1.55 0.00 0.00 36.73 38.36 1l7d h TYR 946 CO -0.00 0.31 0.10 -0.09 -1.32 0.00 0.00 178.16 177.16 1l7d h ARG 947 N 0.05 0.23 -0.85 1.82 9.65 -0.90 -1.85 114.38 122.53 1l7d h ARG 947 Ca 0.04 -0.02 0.01 0.00 -1.10 0.00 0.00 59.98 58.92 1l7d h ARG 947 Cb 0.19 -0.05 -0.04 0.00 -1.39 0.00 0.00 29.97 28.67 1l7d h ARG 947 CO -0.00 0.17 0.56 0.00 2.80 0.00 0.00 179.97 183.50 1l7d h ALA 948 N 1.88 1.09 -0.36 2.80 0.00 -0.95 0.16 119.26 123.87 1l7d h ALA 948 Ca 0.06 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 1l7d h ALA 948 Cb -0.00 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 1l7d h ALA 948 CO -0.01 0.47 -0.22 0.28 0.00 0.00 0.00 179.25 179.77 1l7d h VAL 949 N 1.14 1.29 -0.40 0.00 2.07 -1.33 -1.19 116.25 117.83 1l7d h VAL 949 Ca 0.32 -1.36 -0.00 0.00 0.82 0.00 0.00 66.70 66.47 1l7d h VAL 949 Cb -0.12 1.38 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 1l7d h VAL 949 CO -0.07 0.45 0.24 0.40 0.02 0.00 0.00 177.57 178.61 1l7d h ILE 950 N 0.58 1.13 -0.20 4.57 1.08 -0.95 -0.51 117.51 123.19 1l7d h ILE 950 Ca 0.07 -0.29 -0.09 0.00 -0.39 0.00 0.00 64.86 64.17 1l7d h ILE 950 Cb 0.78 0.60 -0.01 0.00 -3.07 0.00 0.00 36.82 35.12 1l7d h ILE 950 CO 0.06 0.13 -0.25 0.44 -0.69 0.00 0.00 178.15 177.84 1l7d h ASP 951 N 0.52 0.38 0.01 1.72 3.32 -0.67 -1.53 116.42 120.17 1l7d h ASP 951 Ca 0.14 -0.12 -0.00 0.00 0.02 0.00 0.00 57.03 57.07 1l7d h ASP 951 Cb -0.00 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.44 1l7d h ASP 951 CO -0.03 0.63 -0.01 1.23 -1.72 0.00 0.00 179.24 179.35 1l7d h GLY 952 N 1.01 -0.01 1.47 2.75 0.00 -0.71 -2.43 103.07 105.14 1l7d h GLY 952 Ca 0.05 0.01 -0.02 0.00 0.00 0.00 0.00 47.33 47.36 1l7d h GLY 952 CO 0.04 -0.01 0.20 0.00 0.00 0.00 0.00 176.54 176.78 1l7d h ALA 953 N 0.74 1.44 -0.78 3.60 0.00 -1.02 -1.73 119.26 121.50 1l7d h ALA 953 Ca -0.00 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 1l7d h ALA 953 Cb 0.24 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1l7d h ALA 953 CO 0.00 0.43 0.29 -0.92 0.00 0.00 0.00 179.25 179.05 1l7d h TYR 954 N 0.68 1.21 0.00 0.00 3.20 -1.14 -2.98 116.97 117.94 1l7d h TYR 954 Ca 0.17 -0.10 0.00 0.00 3.14 0.00 0.00 58.73 61.94 1l7d h TYR 954 Cb 0.13 -0.36 0.00 0.00 1.54 0.00 0.00 36.73 38.05 1l7d h TYR 954 CO 0.01 0.92 -0.32 0.93 -1.64 0.00 0.00 178.16 178.06 1l7d h GLU 955 N 1.14 0.00 -6.62 1.82 4.39 -1.13 -3.46 114.58 110.72 1l7d h GLU 955 Ca 0.26 0.00 -0.51 0.00 0.34 0.00 0.00 59.36 59.45 1l7d h GLU 955 Cb 0.25 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.88 1l7d h GLU 955 CO -0.02 0.00 0.33 0.12 -1.16 0.00 0.00 179.01 178.28 1l7d s PHE 956 N -3.15 3.89 -1.68 4.33 5.36 -0.68 -4.96 117.98 121.08 1l7d s PHE 956 Ca 0.08 1.81 0.09 0.00 -0.96 0.00 0.00 56.93 57.95 1l7d s PHE 956 Cb 0.12 -2.99 0.31 0.00 -0.34 0.00 0.00 43.02 40.12 1l7d s PHE 956 CO 0.67 0.34 1.20 0.00 -1.46 0.00 0.00 175.22 175.96 1l7d n ALA 957 N 2.18 2.61 -2.32 11.12 0.00 -1.26 -4.86 120.51 127.97 1l7d n ALA 957 Ca -0.00 -0.64 -0.17 0.00 0.00 0.00 0.00 53.44 52.63 1l7d n ALA 957 Cb 0.48 -0.99 -0.10 0.00 0.00 0.00 0.00 19.45 18.84 1l7d n ALA 957 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1l7d s ARG 958 N -1.61 1.34 0.11 0.00 0.52 -1.26 -5.15 118.95 112.90 1l7d s ARG 958 Ca 0.23 -1.68 -0.14 0.00 -0.52 0.00 0.00 55.73 53.62 1l7d s ARG 958 Cb 0.13 -0.54 -0.07 0.00 0.52 0.00 0.00 34.95 34.99 1l7d s ARG 958 CO 0.13 -0.13 0.51 0.00 0.02 0.00 0.00 175.30 175.83 1l7d s ALA 959 N -3.48 3.62 0.04 2.13 0.00 -1.26 -5.03 121.76 117.77 1l7d s ALA 959 Ca 0.29 -0.18 -0.25 0.00 0.00 0.00 0.00 51.96 51.82 1l7d s ALA 959 Cb 0.06 -2.47 -0.17 0.00 0.00 0.00 0.00 23.12 20.54 1l7d s ALA 959 CO 0.09 0.48 1.46 0.74 0.00 0.00 0.00 175.76 178.53 1l7d h PHE 960 N 3.76 -0.22 -4.14 0.00 0.05 -1.91 -3.37 116.94 111.11 1l7d h PHE 960 Ca -0.49 -0.01 -0.49 0.00 3.82 0.00 0.00 57.97 60.81 1l7d h PHE 960 Cb 1.20 0.07 0.06 0.00 2.00 0.00 0.00 35.95 39.28 1l7d h PHE 960 CO 0.66 0.03 0.39 -1.25 -0.18 0.00 0.00 178.31 177.96 1l7d s PRO 961 N -5.25 3.40 0.12 1.51 0.04 -0.75 -0.32 135.00 133.75 1l7d s PRO 961 Ca -0.15 1.35 -0.30 0.00 0.04 0.00 0.00 61.00 61.94 1l7d s PRO 961 Cb 0.03 -2.04 -0.07 0.00 0.04 0.00 0.00 34.50 32.47 1l7d s PRO 961 CO 0.62 -0.76 1.16 1.41 0.04 0.00 0.00 177.00 179.47 1l7d s MET 962 N -3.69 4.50 -0.13 4.56 -2.45 -1.26 -4.45 119.30 116.38 1l7d s MET 962 Ca 0.67 1.76 0.01 0.00 -1.25 0.00 0.00 55.69 56.88 1l7d s MET 962 Cb -0.18 -3.31 0.02 0.00 1.25 0.00 0.00 34.83 32.61 1l7d s MET 962 CO 0.31 -0.10 -0.14 -1.64 1.05 0.00 0.00 175.02 174.50 1l7d s MET 963 N 0.31 2.16 -0.47 4.11 -1.94 0.16 -4.93 119.30 118.70 1l7d s MET 963 Ca 0.54 -0.52 -0.12 0.00 -1.71 0.00 0.00 55.69 53.88 1l7d s MET 963 Cb -0.30 -1.94 0.10 0.00 2.01 0.00 0.00 34.83 34.70 1l7d s MET 963 CO 0.33 -0.16 0.37 -1.64 -0.01 0.00 0.00 175.02 173.90 1l7d s MET 964 N 1.28 2.75 0.44 2.03 -1.94 -1.26 0.40 119.30 123.00 1l7d s MET 964 Ca -0.00 -1.56 0.06 0.00 -1.71 0.00 0.00 55.69 52.47 1l7d s MET 964 Cb -0.14 -4.02 -0.06 0.00 2.01 0.00 0.00 34.83 32.63 1l7d s MET 964 CO -0.06 -1.11 0.05 0.95 -0.01 0.00 0.00 175.02 174.84 1l7d s THR 965 N 1.50 1.87 0.43 2.05 -4.23 -0.84 -4.99 115.64 111.43 1l7d s THR 965 Ca 0.04 -1.93 0.21 0.00 -1.18 0.00 0.00 61.69 58.84 1l7d s THR 965 Cb -0.26 -2.80 0.24 0.00 1.34 0.00 0.00 72.50 71.02 1l7d s THR 965 CO 0.03 0.00 2.03 0.00 -0.54 0.00 0.00 174.62 176.14 1l7d h ALA 966 N 1.59 1.46 -0.00 3.99 0.00 -2.05 -1.59 119.26 122.66 1l7d h ALA 966 Ca -0.44 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1l7d h ALA 966 Cb 1.26 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1l7d h ALA 966 CO 0.77 0.20 -0.15 0.00 0.00 0.00 0.00 179.25 180.06 1l7d n ALA 967 N -2.38 2.69 0.00 0.00 0.00 -1.26 -5.01 120.51 114.55 1l7d n ALA 967 Ca -0.02 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1l7d n ALA 967 Cb 0.25 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.33 1l7d n ALA 967 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1l7d n GLY 968 N 1.50 2.90 3.75 0.00 0.00 -0.60 -5.09 105.19 107.65 1l7d n GLY 968 Ca 0.07 -1.85 -0.37 0.00 0.00 0.00 0.00 46.02 43.87 1l7d n GLY 968 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1l7d s THR 969 N -1.92 5.30 -0.26 2.61 -1.32 -1.26 -1.99 115.64 116.79 1l7d s THR 969 Ca 0.00 0.55 -0.10 0.00 -1.21 0.00 0.00 61.69 60.92 1l7d s THR 969 Cb 0.00 -3.62 -0.05 0.00 -1.51 0.00 0.00 72.50 67.32 1l7d s THR 969 CO 0.00 0.42 0.17 -0.69 -2.21 0.00 0.00 174.62 172.31 1l7d s VAL 970 N 0.25 5.23 0.66 5.08 1.01 0.16 -4.96 120.40 127.84 1l7d s VAL 970 Ca 0.17 0.14 -0.15 0.00 0.00 0.00 0.00 61.98 62.14 1l7d s VAL 970 Cb -0.13 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 32.78 1l7d s VAL 970 CO 0.04 0.29 1.12 -2.16 0.00 0.00 0.00 175.10 174.40 1l7d s PRO 971 N 1.49 2.75 0.65 2.72 0.04 -1.26 -0.67 135.00 140.71 1l7d s PRO 971 Ca 0.07 1.46 -0.11 0.00 0.04 0.00 0.00 61.00 62.46 1l7d s PRO 971 Cb -0.15 -1.94 -0.02 0.00 0.04 0.00 0.00 34.50 32.43 1l7d s PRO 971 CO 0.08 -1.30 1.04 -1.25 0.04 0.00 0.00 177.00 175.61 1l7d s PRO 972 N -4.01 3.37 0.51 0.56 0.04 -1.26 -4.51 135.00 129.69 1l7d s PRO 972 Ca 0.68 0.83 -0.19 0.00 0.04 0.00 0.00 61.00 62.36 1l7d s PRO 972 Cb -0.22 -2.05 -0.08 0.00 0.04 0.00 0.00 34.50 32.20 1l7d s PRO 972 CO 0.41 -0.76 1.03 0.00 0.04 0.00 0.00 177.00 177.72 1l7d s ALA 973 N -3.13 2.87 -0.22 8.56 0.00 0.56 -4.86 121.76 125.55 1l7d s ALA 973 Ca 0.56 0.51 -0.07 0.00 0.00 0.00 0.00 51.96 52.97 1l7d s ALA 973 Cb -0.12 -3.23 -0.03 0.00 0.00 0.00 0.00 23.12 19.74 1l7d s ALA 973 CO 0.54 -0.38 0.05 1.03 0.00 0.00 0.00 175.76 177.00 1l7d s ARG 974 N -3.48 3.72 -0.02 0.00 1.81 -1.26 -1.62 118.95 118.10 1l7d s ARG 974 Ca 0.65 -0.46 0.05 0.00 -1.72 0.00 0.00 55.73 54.25 1l7d s ARG 974 Cb -0.15 -3.22 -0.03 0.00 -0.45 0.00 0.00 34.95 31.10 1l7d s ARG 974 CO 0.24 -0.01 -0.16 0.08 -0.68 0.00 0.00 175.30 174.77 1l7d s VAL 975 N 1.12 2.95 -0.20 3.52 1.01 0.54 -0.77 120.40 128.58 1l7d s VAL 975 Ca 0.04 -0.88 -0.00 0.00 0.00 0.00 0.00 61.98 61.13 1l7d s VAL 975 Cb -0.14 -2.18 0.05 0.00 0.00 0.00 0.00 36.38 34.11 1l7d s VAL 975 CO 0.03 0.51 -0.04 -0.22 0.00 0.00 0.00 175.10 175.38 1l7d s LEU 976 N -0.96 1.90 -0.22 3.92 0.20 -0.43 -0.13 118.68 122.95 1l7d s LEU 976 Ca 0.13 -0.90 -0.13 0.00 0.69 0.00 0.00 54.13 53.92 1l7d s LEU 976 Cb -0.11 -0.95 -0.05 0.00 -0.43 0.00 0.00 46.19 44.65 1l7d s LEU 976 CO 0.02 -0.23 0.26 -0.69 -0.29 0.00 0.00 176.35 175.43 1l7d s VAL 977 N 1.58 5.29 -0.28 1.68 1.01 0.01 -1.43 120.40 128.27 1l7d s VAL 977 Ca -0.02 0.41 -0.09 0.00 0.00 0.00 0.00 61.98 62.28 1l7d s VAL 977 Cb -0.17 -3.60 -0.02 0.00 0.00 0.00 0.00 36.38 32.59 1l7d s VAL 977 CO -0.07 0.30 0.12 -0.36 0.00 0.00 0.00 175.10 175.09 1l7d s PHE 978 N 1.17 3.14 0.00 5.22 0.40 0.85 -1.55 117.98 127.21 1l7d s PHE 978 Ca 0.12 -0.41 0.00 0.00 -0.60 0.00 0.00 56.93 56.04 1l7d s PHE 978 Cb -0.14 -2.30 0.00 0.00 0.51 0.00 0.00 43.02 41.09 1l7d s PHE 978 CO 0.06 -0.37 0.00 0.41 0.70 0.00 0.00 175.22 176.02 1l7d n GLY 979 N 4.96 0.27 2.74 4.36 0.00 -0.38 -1.04 105.19 116.12 1l7d n GLY 979 Ca -0.15 -0.91 -0.36 0.00 0.00 0.00 0.00 46.02 44.59 1l7d n GLY 979 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1l7d n VAL 980 N 2.17 4.87 -1.12 1.61 0.31 -1.26 -3.97 118.33 120.94 1l7d n VAL 980 Ca 0.00 -5.68 0.00 0.00 -0.01 0.00 0.00 64.34 58.65 1l7d n VAL 980 Cb 0.00 -1.47 0.00 0.00 -0.91 0.00 0.00 33.84 31.46 1l7d n VAL 980 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1l7d n GLY 981 N -0.17 1.42 0.22 2.92 0.00 -1.26 -4.71 105.19 103.61 1l7d n GLY 981 Ca 0.43 -1.87 -0.06 0.00 0.00 0.00 0.00 46.02 44.52 1l7d n GLY 981 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1l7d h VAL 982 N 0.00 1.10 -0.27 1.61 2.07 -1.94 -1.56 116.25 117.26 1l7d h VAL 982 Ca 0.00 -0.24 -0.15 0.00 0.82 0.00 0.00 66.70 67.13 1l7d h VAL 982 Cb 0.00 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.11 1l7d h VAL 982 CO 0.00 0.13 -0.43 0.00 0.02 0.00 0.00 177.57 177.29 1l7d h ALA 983 N 1.22 0.74 -0.55 1.67 0.00 -1.90 -2.87 119.26 117.56 1l7d h ALA 983 Ca 0.21 -0.46 -0.09 0.00 0.00 0.00 0.00 54.91 54.57 1l7d h ALA 983 Cb -0.04 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1l7d h ALA 983 CO -0.07 0.66 -0.03 0.78 0.00 0.00 0.00 179.25 180.60 1l7d h GLY 984 N 0.97 1.04 0.99 0.00 0.00 -1.63 -1.44 103.07 102.99 1l7d h GLY 984 Ca 0.04 -0.76 -0.05 0.00 0.00 0.00 0.00 47.33 46.56 1l7d h GLY 984 CO 0.09 0.70 0.15 1.41 0.00 0.00 0.00 176.54 178.89 1l7d h LEU 985 N 0.88 0.80 -0.70 3.11 3.38 -1.24 -0.64 115.31 120.90 1l7d h LEU 985 Ca 0.16 -0.22 -0.12 0.00 0.09 0.00 0.00 57.88 57.79 1l7d h LEU 985 Cb 0.55 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1l7d h LEU 985 CO 0.03 0.80 -0.31 -0.61 0.09 0.00 0.00 178.44 178.44 1l7d h GLN 986 N 0.75 0.66 -0.60 1.13 5.75 -1.40 -0.80 115.11 120.59 1l7d h GLN 986 Ca 0.17 -0.30 -0.02 0.00 -0.15 0.00 0.00 58.65 58.36 1l7d h GLN 986 Cb 0.30 -0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.81 1l7d h GLN 986 CO -0.00 0.89 0.30 0.00 -2.65 0.00 0.00 178.83 177.37 1l7d h ALA 987 N 1.09 0.78 0.11 3.38 0.00 -0.96 0.29 119.26 123.95 1l7d h ALA 987 Ca 0.06 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1l7d h ALA 987 Cb 0.81 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1l7d h ALA 987 CO 0.07 0.33 -0.05 0.82 0.00 0.00 0.00 179.25 180.42 1l7d h ILE 988 N 0.82 0.90 -0.56 0.00 2.04 -0.86 0.18 117.51 120.03 1l7d h ILE 988 Ca 0.21 -0.02 0.03 0.00 1.00 0.00 0.00 64.86 66.08 1l7d h ILE 988 Cb 0.10 0.91 -0.04 0.00 -0.74 0.00 0.00 36.82 37.05 1l7d h ILE 988 CO -0.03 0.00 0.33 0.00 0.00 0.00 0.00 178.15 178.46 1l7d h ALA 989 N 0.75 0.73 -0.17 1.87 0.00 -0.70 -0.54 119.26 121.20 1l7d h ALA 989 Ca -0.01 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.71 1l7d h ALA 989 Cb 0.11 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1l7d h ALA 989 CO 0.02 0.04 -0.62 1.15 0.00 0.00 0.00 179.25 179.85 1l7d h THR 990 N 0.66 1.32 -0.32 0.00 2.02 -0.33 -1.03 112.91 115.22 1l7d h THR 990 Ca 0.23 -1.89 -0.09 0.00 0.77 0.00 0.00 66.41 65.43 1l7d h THR 990 Cb 0.05 1.86 -0.02 0.00 -1.74 0.00 0.00 68.15 68.30 1l7d h THR 990 CO -0.11 0.59 -0.18 0.00 0.37 0.00 0.00 175.52 176.18 1l7d h ALA 991 N 0.87 1.09 -0.45 6.16 0.00 -0.75 -2.20 119.26 123.98 1l7d h ALA 991 Ca -0.01 -0.32 -0.13 0.00 0.00 0.00 0.00 54.91 54.45 1l7d h ALA 991 Cb 1.19 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1l7d h ALA 991 CO 0.12 0.56 -0.25 0.87 0.00 0.00 0.00 179.25 180.55 1l7d h LYS 992 N 0.53 0.94 -0.67 0.00 1.79 -0.93 -1.77 116.57 116.45 1l7d h LYS 992 Ca 0.09 -0.41 0.06 0.00 -2.18 0.00 0.00 60.65 58.20 1l7d h LYS 992 Cb 0.61 -0.03 -0.06 0.00 -1.58 0.00 0.00 32.23 31.18 1l7d h LYS 992 CO 0.04 1.07 0.37 0.00 -1.08 0.00 0.00 179.45 179.86 1l7d h ARG 993 N 0.80 0.66 0.00 3.15 3.08 -0.73 0.47 114.38 121.81 1l7d h ARG 993 Ca 0.10 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.11 1l7d h ARG 993 Cb 0.82 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.72 1l7d h ARG 993 CO 0.07 0.43 0.00 1.28 -1.07 0.00 0.00 179.97 180.68 1l7d n LEU 994 N -4.79 0.00 0.00 3.04 4.77 -0.87 -4.87 117.00 114.28 1l7d n LEU 994 Ca 0.09 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 1l7d n LEU 994 Cb 0.18 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 1l7d n LEU 994 CO 0.29 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.96 1l7d n GLY 995 N 0.38 0.48 3.88 -0.72 0.00 0.16 -1.81 105.19 107.55 1l7d n GLY 995 Ca 0.11 -0.67 -0.30 0.00 0.00 0.00 0.00 46.02 45.17 1l7d n GLY 995 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1l7d s ALA 996 N -2.00 3.14 -0.19 4.61 0.00 -0.68 -4.24 121.76 122.40 1l7d s ALA 996 Ca 0.00 -0.28 -0.20 0.00 0.00 0.00 0.00 51.96 51.48 1l7d s ALA 996 Cb 0.00 -2.93 -0.03 0.00 0.00 0.00 0.00 23.12 20.16 1l7d s ALA 996 CO 0.00 -0.72 0.59 0.08 0.00 0.00 0.00 175.76 175.71 1l7d s VAL 997 N -3.11 5.06 -0.14 0.00 1.01 -0.64 -4.55 120.40 118.02 1l7d s VAL 997 Ca 0.54 1.12 0.02 0.00 0.00 0.00 0.00 61.98 63.65 1l7d s VAL 997 Cb -0.11 -3.91 0.00 0.00 0.00 0.00 0.00 36.38 32.37 1l7d s VAL 997 CO 0.51 0.15 -0.20 -0.69 0.00 0.00 0.00 175.10 174.88 1l7d s VAL 998 N 1.68 2.29 0.24 2.92 1.01 -1.26 -0.34 120.40 126.93 1l7d s VAL 998 Ca 0.28 -0.91 0.09 0.00 0.00 0.00 0.00 61.98 61.44 1l7d s VAL 998 Cb -0.16 -1.93 -0.04 0.00 0.00 0.00 0.00 36.38 34.25 1l7d s VAL 998 CO 0.11 0.54 0.02 -0.04 0.00 0.00 0.00 175.10 175.72 1l7d s MET 999 N 0.75 2.39 -0.05 2.72 -1.94 0.81 -1.07 119.30 122.91 1l7d s MET 999 Ca -0.08 -1.29 -0.20 0.00 -1.71 0.00 0.00 55.69 52.41 1l7d s MET 999 Cb -0.16 -2.26 0.04 0.00 2.01 0.00 0.00 34.83 34.47 1l7d s MET 999 CO 0.00 0.39 0.45 0.00 -0.01 0.00 0.00 175.02 175.86 1l7d s ALA 1000N -2.13 -1.16 0.01 3.03 0.00 -0.45 -0.81 121.76 120.25 1l7d s ALA 1000Ca 0.30 0.80 0.00 0.00 0.00 0.00 0.00 51.96 53.06 1l7d s ALA 1000Cb -0.07 -0.08 -0.01 0.00 0.00 0.00 0.00 23.12 22.96 1l7d s ALA 1000CO 0.20 -0.29 -0.02 -0.08 0.00 0.00 0.00 175.76 175.57 1l7d s THR 1001N -1.04 0.10 -0.03 0.00 -1.32 -0.60 -1.36 115.64 111.39 1l7d s THR 1001Ca -0.11 -0.27 -0.19 0.00 -1.21 0.00 0.00 61.69 59.91 1l7d s THR 1001Cb -0.03 -0.13 0.04 0.00 -1.51 0.00 0.00 72.50 70.86 1l7d s THR 1001CO 0.05 -0.11 0.42 -0.62 -2.21 0.00 0.00 174.62 172.16 1l7d s ASP 1002N -0.40 -0.34 0.37 8.08 -1.08 -1.26 -1.25 116.67 120.80 1l7d s ASP 1002Ca -0.04 0.31 0.07 0.00 -0.52 0.00 0.00 52.55 52.38 1l7d s ASP 1002Cb -0.03 0.41 0.78 0.00 -1.46 0.00 0.00 42.92 42.62 1l7d s ASP 1002CO -0.00 -0.47 1.94 1.62 0.52 0.00 0.00 175.17 178.78 1l7d h VAL 1003N 3.67 0.97 -3.55 1.11 3.04 -2.01 -3.40 116.25 116.08 1l7d h VAL 1003Ca -0.29 -0.25 -0.61 0.00 -1.01 0.00 0.00 66.70 64.55 1l7d h VAL 1003Cb 1.17 0.19 -0.12 0.00 -2.01 0.00 0.00 31.29 30.52 1l7d h VAL 1003CO 0.39 0.13 -0.18 0.00 -1.01 0.00 0.00 177.57 176.90 1l7d s ARG 1004N -5.65 4.12 0.25 4.17 1.70 -1.26 -4.95 118.95 117.33 1l7d s ARG 1004Ca -0.10 0.18 0.23 0.00 -0.47 0.00 0.00 55.73 55.58 1l7d s ARG 1004Cb 0.20 -3.58 0.98 0.00 -0.57 0.00 0.00 34.95 31.97 1l7d s ARG 1004CO 0.77 -0.14 1.69 0.00 -1.08 0.00 0.00 175.30 176.54 1l7d n ALA 1005N 4.83 1.59 0.32 7.88 0.00 -1.26 -2.69 120.51 131.17 1l7d n ALA 1005Ca -0.08 0.09 0.21 0.00 0.00 0.00 0.00 53.44 53.66 1l7d n ALA 1005Cb 0.51 -1.37 1.08 0.00 0.00 0.00 0.00 19.45 19.67 1l7d n ALA 1005CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1l7d h ALA 1006N 2.25 1.05 -0.00 0.00 0.00 -1.95 -1.71 119.26 118.90 1l7d h ALA 1006Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1l7d h ALA 1006Cb 0.32 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1l7d h ALA 1006CO 0.00 0.01 -0.11 0.25 0.00 0.00 0.00 179.25 179.40 1l7d n THR 1007N -3.16 0.00 -0.09 0.00 -2.24 -1.10 -4.10 114.28 103.59 1l7d n THR 1007Ca -0.02 -0.02 -0.06 0.00 -2.27 0.00 0.00 64.05 61.67 1l7d n THR 1007Cb 0.12 -0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.11 1l7d n THR 1007CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1l7d h LYS 1008N 0.21 0.03 -0.43 -0.78 3.11 -1.53 0.00 116.57 117.18 1l7d h LYS 1008Ca 0.00 -0.00 -0.07 0.00 -2.81 0.00 0.00 60.65 57.77 1l7d h LYS 1008Cb 0.40 -0.01 -0.02 0.00 -1.00 0.00 0.00 32.23 31.60 1l7d h LYS 1008CO 0.00 0.02 -0.01 0.93 -2.81 0.00 0.00 179.45 177.58 1l7d h GLU 1009N 0.03 0.69 -0.32 1.90 3.07 -1.80 -1.04 114.58 117.11 1l7d h GLU 1009Ca 0.16 -0.18 -0.08 0.00 -0.50 0.00 0.00 59.36 58.76 1l7d h GLU 1009Cb 0.23 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.05 1l7d h GLU 1009CO -0.31 0.72 -0.11 1.96 -1.40 0.00 0.00 179.01 179.86 1l7d h GLN 1010N 0.65 0.64 -0.38 2.33 4.20 -1.64 -0.32 115.11 120.59 1l7d h GLN 1010Ca 0.13 -0.26 -0.01 0.00 0.06 0.00 0.00 58.65 58.57 1l7d h GLN 1010Cb 0.42 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.15 1l7d h GLN 1010CO 0.02 0.84 0.22 0.28 -0.67 0.00 0.00 178.83 179.51 1l7d h VAL 1011N 0.40 1.14 -0.20 -0.54 2.07 -0.73 -2.72 116.25 115.67 1l7d h VAL 1011Ca 0.08 -0.34 -0.08 0.00 0.82 0.00 0.00 66.70 67.17 1l7d h VAL 1011Cb 0.63 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 1l7d h VAL 1011CO 0.04 0.14 -0.24 -0.33 0.02 0.00 0.00 177.57 177.20 1l7d h GLU 1012N 0.49 0.37 -0.06 1.57 5.08 -1.12 -0.55 114.58 120.36 1l7d h GLU 1012Ca 0.13 -0.13 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1l7d h GLU 1012Cb 0.03 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1l7d h GLU 1012CO -0.02 0.60 0.05 1.03 -1.00 0.00 0.00 179.01 179.66 1l7d h SER 1013N 0.34 0.00 -0.06 1.42 0.87 -0.73 -0.27 113.55 115.12 1l7d h SER 1013Ca 0.05 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 1l7d h SER 1013Cb 0.61 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.57 1l7d h SER 1013CO 0.04 0.00 0.00 0.18 -0.53 0.00 0.00 176.83 176.52 1l7d n LEU 1014N -4.35 1.88 0.00 2.23 4.77 -0.92 -4.91 117.00 115.70 1l7d n LEU 1014Ca -0.02 -0.67 0.00 0.00 -0.03 0.00 0.00 56.01 55.30 1l7d n LEU 1014Cb 0.15 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 1l7d n LEU 1014CO 0.33 0.33 0.00 0.61 -1.33 0.00 0.00 177.39 177.33 1l7d n GLY 1015N 1.21 0.76 3.91 -0.72 0.00 -0.11 -4.85 105.19 105.39 1l7d n GLY 1015Ca 0.18 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.93 1l7d n GLY 1015CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1l7d s GLY 1016N -1.93 1.52 -0.21 -0.02 0.00 -0.26 -4.74 107.32 101.68 1l7d s GLY 1016Ca 0.00 -0.55 -0.04 0.00 0.00 0.00 0.00 44.72 44.13 1l7d s GLY 1016CO 0.00 -0.40 -0.03 0.54 0.00 0.00 0.00 173.10 173.21 1l7d s LYS 1017N -4.57 3.48 -0.01 2.90 3.01 -0.23 -3.60 119.74 120.72 1l7d s LYS 1017Ca 0.46 -0.58 -0.30 0.00 -1.01 0.00 0.00 55.97 54.54 1l7d s LYS 1017Cb -0.10 -3.02 -0.03 0.00 -1.01 0.00 0.00 37.83 33.67 1l7d s LYS 1017CO 0.42 -0.09 0.97 0.12 0.51 0.00 0.00 175.35 177.28 1l7d s PHE 1018N 1.22 3.64 -0.17 3.18 2.19 -1.26 -1.33 117.98 125.44 1l7d s PHE 1018Ca 0.03 1.67 -0.29 0.00 0.33 0.00 0.00 56.93 58.67 1l7d s PHE 1018Cb -0.14 -3.11 -0.00 0.00 -1.31 0.00 0.00 43.02 38.45 1l7d s PHE 1018CO -0.00 -0.03 1.09 0.42 1.83 0.00 0.00 175.22 178.53 1l7d s ILE 1019N 1.11 4.59 0.18 3.12 1.01 -0.46 -4.92 121.20 125.82 1l7d s ILE 1019Ca 0.51 1.90 0.02 0.00 0.00 0.00 0.00 60.65 63.08 1l7d s ILE 1019Cb -0.21 -4.23 -0.05 0.00 0.01 0.00 0.00 42.46 37.99 1l7d s ILE 1019CO 0.27 -0.11 0.00 0.42 0.00 0.00 0.00 174.94 175.51 1l7d s THR 1020N 2.90 0.70 0.00 2.92 -4.23 -1.26 -4.90 115.64 111.77 1l7d s THR 1020Ca 0.48 -1.99 0.00 0.00 -1.18 0.00 0.00 61.69 59.00 1l7d s THR 1020Cb -0.18 -2.15 0.00 0.00 1.34 0.00 0.00 72.50 71.51 1l7d s THR 1020CO 0.12 -0.45 0.00 1.33 -0.54 0.00 0.00 174.62 175.08 1l7d n VAL 1021N -0.26 0.00 0.00 2.29 0.24 -1.26 -4.90 118.33 114.43 1l7d n VAL 1021Ca -0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.24 1l7d n VAL 1021Cb 0.63 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 33.00 1l7d n VAL 1021CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1l7d n LYS 1045N 0.00 0.00 0.04 7.34 0.00 -1.26 -5.13 118.16 119.15 1l7d n LYS 1045Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 58.31 58.22 1l7d n LYS 1045Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 35.03 35.07 1l7d n LYS 1045CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 1l7d h LYS 1046N 0.00 0.42 -0.42 1.64 1.63 -2.05 -2.85 116.57 114.95 1l7d h LYS 1046Ca 0.00 -0.32 -0.10 0.00 -0.85 0.00 0.00 60.65 59.37 1l7d h LYS 1046Cb 0.00 0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 31.67 1l7d h LYS 1046CO 0.00 0.95 -0.15 0.37 -3.45 0.00 0.00 179.45 177.17 1l7d h GLN 1047N 0.30 0.79 -0.57 1.90 5.75 -2.00 -2.46 115.11 118.83 1l7d h GLN 1047Ca -0.02 -0.28 0.03 0.00 -0.15 0.00 0.00 58.65 58.22 1l7d h GLN 1047Cb 1.24 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 29.71 1l7d h GLN 1047CO 0.12 0.89 0.38 0.00 -2.65 0.00 0.00 178.83 177.56 1l7d h ALA 1048N 1.13 1.68 -0.28 3.38 0.00 -1.94 -0.67 119.26 122.55 1l7d h ALA 1048Ca 0.11 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 1l7d h ALA 1048Cb 0.64 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1l7d h ALA 1048CO 0.04 0.27 -0.24 0.93 0.00 0.00 0.00 179.25 180.25 1l7d h GLU 1049N 0.69 0.65 -0.54 0.00 5.08 -1.26 -1.24 114.58 117.95 1l7d h GLU 1049Ca 0.22 -0.33 -0.02 0.00 -1.00 0.00 0.00 59.36 58.23 1l7d h GLU 1049Cb 0.04 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 1l7d h GLU 1049CO -0.06 0.93 0.26 0.00 -1.00 0.00 0.00 179.01 179.14 1l7d h ALA 1050N 0.71 0.70 -0.08 3.43 0.00 -0.97 -0.56 119.26 122.49 1l7d h ALA 1050Ca 0.05 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 1l7d h ALA 1050Cb 0.79 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1l7d h ALA 1050CO 0.06 0.27 -0.46 -0.39 0.00 0.00 0.00 179.25 178.73 1l7d h VAL 1051N 0.73 1.33 -0.44 0.00 -1.51 -1.14 -2.92 116.25 112.31 1l7d h VAL 1051Ca 0.19 -1.63 -0.12 0.00 -1.23 0.00 0.00 66.70 63.90 1l7d h VAL 1051Cb 0.13 1.78 -0.01 0.00 -2.13 0.00 0.00 31.29 31.06 1l7d h VAL 1051CO -0.02 0.48 -0.20 0.25 -1.23 0.00 0.00 177.57 176.85 1l7d h LEU 1052N 0.16 0.95 -1.22 4.19 6.46 -0.82 0.20 115.31 125.23 1l7d h LEU 1052Ca 0.01 -0.40 0.16 0.00 -0.12 0.00 0.00 57.88 57.53 1l7d h LEU 1052Cb 0.88 -0.26 -0.08 0.00 -0.73 0.00 0.00 40.66 40.46 1l7d h LEU 1052CO 0.07 1.14 0.60 0.50 -0.62 0.00 0.00 178.44 180.12 1l7d h LYS 1053N 0.76 0.68 0.21 1.25 3.64 -0.91 -1.97 116.57 120.22 1l7d h LYS 1053Ca 0.10 -0.04 -0.35 0.00 -1.27 0.00 0.00 60.65 59.09 1l7d h LYS 1053Cb 0.77 -0.15 0.02 0.00 -0.41 0.00 0.00 32.23 32.46 1l7d h LYS 1053CO 0.06 0.45 -1.65 0.93 -2.27 0.00 0.00 179.45 176.98 1l7d h GLU 1054N 0.71 0.44 -0.58 1.90 4.39 -1.43 -3.36 114.58 116.65 1l7d h GLU 1054Ca 0.49 -0.76 0.04 0.00 0.34 0.00 0.00 59.36 59.47 1l7d h GLU 1054Cb 0.81 0.28 -0.03 0.00 -0.10 0.00 0.00 28.75 29.71 1l7d h GLU 1054CO -0.25 1.36 0.38 1.25 -1.16 0.00 0.00 179.01 180.59 1l7d h LEU 1055N 0.12 0.56 -0.01 1.33 5.85 -0.26 -0.43 115.31 122.47 1l7d h LEU 1055Ca -0.31 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.41 1l7d h LEU 1055Cb 2.13 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 43.03 1l7d h LEU 1055CO 0.21 0.39 0.00 1.33 -0.34 0.00 0.00 178.44 180.03 1l7d n VAL 1056N -4.47 0.84 0.54 1.05 0.24 -0.82 -1.94 118.33 113.77 1l7d n VAL 1056Ca 0.07 0.21 0.06 0.00 -2.04 0.00 0.00 64.34 62.64 1l7d n VAL 1056Cb 0.16 -0.92 -0.03 0.00 -1.47 0.00 0.00 33.84 31.57 1l7d n VAL 1056CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1l7d n LYS 1057N -1.52 2.56 -2.55 7.34 5.02 -0.29 -4.51 118.16 124.20 1l7d n LYS 1057Ca 0.04 -0.35 -0.41 0.00 -2.02 0.00 0.00 58.31 55.57 1l7d n LYS 1057Cb 0.20 -1.10 -0.04 0.00 -0.02 0.00 0.00 35.03 34.07 1l7d n LYS 1057CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1l7d s THR 1058N -1.80 3.88 -0.25 -0.18 2.01 -0.50 -4.66 115.64 114.14 1l7d s THR 1058Ca 0.07 1.69 -0.05 0.00 0.31 0.00 0.00 61.69 63.71 1l7d s THR 1058Cb 0.09 -4.08 -0.16 0.00 0.01 0.00 0.00 72.50 68.36 1l7d s THR 1058CO 0.38 0.32 -0.19 0.47 -0.69 0.00 0.00 174.62 174.91 1l7d n ASP 1059N 2.08 1.98 -4.06 3.53 8.00 0.05 -4.65 116.55 123.49 1l7d n ASP 1059Ca 0.01 0.08 -0.32 0.00 0.71 0.00 0.00 54.79 55.28 1l7d n ASP 1059Cb 0.46 -0.62 -0.16 0.00 -0.02 0.00 0.00 41.12 40.79 1l7d n ASP 1059CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1l7d s ILE 1060N -2.51 1.92 -0.16 0.53 -1.09 -0.81 -0.17 121.20 118.92 1l7d s ILE 1060Ca -0.35 -1.14 -0.03 0.00 -2.23 0.00 0.00 60.65 56.90 1l7d s ILE 1060Cb 0.11 -1.91 -0.02 0.00 -1.58 0.00 0.00 42.46 39.05 1l7d s ILE 1060CO 0.58 0.25 -0.05 0.00 -1.23 0.00 0.00 174.94 174.50 1l7d s ALA 1061N 1.28 2.95 -0.13 9.38 0.00 0.15 -1.32 121.76 134.08 1l7d s ALA 1061Ca -0.01 -0.85 0.01 0.00 0.00 0.00 0.00 51.96 51.11 1l7d s ALA 1061Cb -0.16 -1.54 0.02 0.00 0.00 0.00 0.00 23.12 21.44 1l7d s ALA 1061CO -0.09 0.17 -0.16 0.42 0.00 0.00 0.00 175.76 176.09 1l7d s ILE 1062N 0.45 1.66 -0.10 0.00 1.01 -0.51 -0.24 121.20 123.46 1l7d s ILE 1062Ca -0.04 -0.72 -0.02 0.00 0.00 0.00 0.00 60.65 59.87 1l7d s ILE 1062Cb -0.14 -1.51 -0.03 0.00 0.01 0.00 0.00 42.46 40.78 1l7d s ILE 1062CO 0.03 0.47 -0.02 0.42 0.00 0.00 0.00 174.94 175.84 1l7d s THR 1063N 1.14 4.11 0.00 2.92 -4.23 -0.11 -0.10 115.64 119.36 1l7d s THR 1063Ca -0.02 -0.32 0.00 0.00 -1.18 0.00 0.00 61.69 60.17 1l7d s THR 1063Cb -0.14 -2.73 0.00 0.00 1.34 0.00 0.00 72.50 70.97 1l7d s THR 1063CO -0.05 0.58 0.36 0.35 -0.54 0.00 0.00 174.62 175.32 1l7d n THR 1064N 2.43 0.10 -2.20 3.99 -2.24 -0.20 -1.55 114.28 114.61 1l7d n THR 1064Ca -0.18 -0.14 -0.43 0.00 -2.27 0.00 0.00 64.05 61.04 1l7d n THR 1064Cb 0.53 1.32 -0.02 0.00 -2.10 0.00 0.00 70.33 70.06 1l7d n THR 1064CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1l7d s ALA 1065N -0.10 3.62 0.06 6.98 0.00 -1.26 -4.87 121.76 126.19 1l7d s ALA 1065Ca 0.00 0.70 0.05 0.00 0.00 0.00 0.00 51.96 52.71 1l7d s ALA 1065Cb 0.00 -3.70 -0.03 0.00 0.00 0.00 0.00 23.12 19.40 1l7d s ALA 1065CO 0.00 -1.34 -0.14 -0.51 0.00 0.00 0.00 175.76 173.77 1l7d s LEU 1066N 3.87 2.23 -0.22 0.00 2.01 -1.26 -4.32 118.68 121.00 1l7d s LEU 1066Ca 0.65 -0.55 -0.01 0.00 0.01 0.00 0.00 54.13 54.23 1l7d s LEU 1066Cb -0.28 -0.56 0.06 0.00 0.01 0.00 0.00 46.19 45.43 1l7d s LEU 1066CO 0.23 -0.03 -0.01 -0.63 1.01 0.00 0.00 176.35 176.92 1l7d s ILE 1067N -1.09 1.04 -0.39 -0.59 1.01 -1.26 -5.02 121.20 114.90 1l7d s ILE 1067Ca -0.00 -0.90 -0.38 0.00 0.00 0.00 0.00 60.65 59.36 1l7d s ILE 1067Cb -0.09 -1.43 -0.14 0.00 0.01 0.00 0.00 42.46 40.81 1l7d s ILE 1067CO 0.02 -0.16 2.14 -2.65 0.00 0.00 0.00 174.94 174.29 1l7d n PRO 1068N 4.85 0.73 -2.44 2.79 -0.02 -1.26 -1.71 135.00 137.95 1l7d n PRO 1068Ca -0.10 0.21 -0.05 0.00 -2.02 0.00 0.00 63.50 61.53 1l7d n PRO 1068Cb 0.45 -2.12 0.02 0.00 -0.02 0.00 0.00 33.50 31.83 1l7d n PRO 1068CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1l7d n GLY 1069N 6.67 0.31 3.54 -1.23 0.00 -1.26 -5.06 105.19 108.17 1l7d n GLY 1069Ca 0.45 -0.36 -0.07 0.00 0.00 0.00 0.00 46.02 46.04 1l7d n GLY 1069CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1l7d s LYS 1070N -4.54 0.61 0.65 1.61 1.02 -0.69 -5.16 119.74 113.24 1l7d s LYS 1070Ca 0.03 -0.18 -0.17 0.00 0.02 0.00 0.00 55.97 55.67 1l7d s LYS 1070Cb -0.01 0.28 -0.00 0.00 -0.52 0.00 0.00 37.83 37.57 1l7d s LYS 1070CO 0.18 -0.26 1.17 -2.14 -0.92 0.00 0.00 175.35 173.38 1l7d s PRO 1071N -2.63 2.71 0.24 -1.68 0.02 -1.26 -4.56 135.00 127.84 1l7d s PRO 1071Ca 0.06 1.64 -0.30 0.00 0.02 0.00 0.00 61.00 62.42 1l7d s PRO 1071Cb -0.01 -1.92 -0.09 0.00 0.02 0.00 0.00 34.50 32.50 1l7d s PRO 1071CO -0.06 -1.37 1.25 0.00 -0.33 0.00 0.00 177.00 176.49 1l7d s ALA 1072N -1.97 3.48 0.41 -1.55 0.00 -0.13 -4.69 121.76 117.31 1l7d s ALA 1072Ca 0.73 1.07 -0.26 0.00 0.00 0.00 0.00 51.96 53.49 1l7d s ALA 1072Cb -0.26 -3.44 -0.09 0.00 0.00 0.00 0.00 23.12 19.33 1l7d s ALA 1072CO 0.39 -0.45 1.35 -1.25 0.00 0.00 0.00 175.76 175.79 1l7d s PRO 1073N -0.70 3.95 -0.21 0.00 0.04 -1.26 -4.73 135.00 132.09 1l7d s PRO 1073Ca 0.52 2.26 -0.26 0.00 0.04 0.00 0.00 61.00 63.55 1l7d s PRO 1073Cb -0.35 -2.78 -0.00 0.00 0.04 0.00 0.00 34.50 31.40 1l7d s PRO 1073CO 0.41 -0.55 0.90 0.08 0.04 0.00 0.00 177.00 177.88 1l7d s VAL 1074N -1.23 4.80 -0.05 -0.36 1.01 -1.26 -4.13 120.40 119.18 1l7d s VAL 1074Ca 0.57 1.73 0.08 0.00 0.00 0.00 0.00 61.98 64.36 1l7d s VAL 1074Cb -0.40 -4.18 -0.11 0.00 0.00 0.00 0.00 36.38 31.68 1l7d s VAL 1074CO 0.52 -0.07 0.09 0.18 0.00 0.00 0.00 175.10 175.82 1l7d n LEU 1075N 5.84 0.00 -3.85 3.92 4.77 0.12 -4.90 117.00 122.90 1l7d n LEU 1075Ca 0.07 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.75 1l7d n LEU 1075Cb 0.47 0.11 -0.15 0.00 -2.33 0.00 0.00 43.42 41.53 1l7d n LEU 1075CO 0.49 0.11 -0.36 -0.63 -1.33 0.00 0.00 177.39 175.67 1l7d s ILE 1076N -2.35 1.33 0.72 -0.08 1.01 -0.49 -5.04 121.20 116.29 1l7d s ILE 1076Ca -0.04 -1.47 -0.11 0.00 0.00 0.00 0.00 60.65 59.03 1l7d s ILE 1076Cb 0.04 -1.86 0.02 0.00 0.01 0.00 0.00 42.46 40.67 1l7d s ILE 1076CO 0.33 -0.45 1.08 0.42 0.00 0.00 0.00 174.94 176.32 1l7d s THR 1077N 1.42 3.61 0.29 2.92 -4.23 -1.26 -4.03 115.64 114.36 1l7d s THR 1077Ca 0.05 0.52 -0.02 0.00 -1.18 0.00 0.00 61.69 61.05 1l7d s THR 1077Cb -0.18 -3.42 0.26 0.00 1.34 0.00 0.00 72.50 70.50 1l7d s THR 1077CO -0.15 -0.68 1.96 -0.08 -0.54 0.00 0.00 174.62 175.13 1l7d h GLU 1078N -0.73 1.11 -0.37 3.99 4.81 -1.98 -1.74 114.58 119.67 1l7d h GLU 1078Ca -0.45 -0.07 0.04 0.00 -0.13 0.00 0.00 59.36 58.75 1l7d h GLU 1078Cb 1.24 -0.25 -0.04 0.00 0.63 0.00 0.00 28.75 30.34 1l7d h GLU 1078CO 0.62 0.74 0.16 1.49 -0.73 0.00 0.00 179.01 181.28 1l7d h GLU 1079N 1.15 0.32 -0.74 1.92 4.81 -2.00 -1.07 114.58 118.97 1l7d h GLU 1079Ca 0.32 -0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.58 1l7d h GLU 1079Cb -0.10 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.15 1l7d h GLU 1079CO -0.07 0.21 0.45 0.52 -0.73 0.00 0.00 179.01 179.38 1l7d h MET 1080N 0.33 0.82 -1.00 1.92 2.86 -1.72 -1.98 114.93 116.17 1l7d h MET 1080Ca 0.17 -0.05 0.02 0.00 -2.06 0.00 0.00 59.70 57.77 1l7d h MET 1080Cb 0.11 -0.19 -0.05 0.00 0.06 0.00 0.00 31.60 31.54 1l7d h MET 1080CO -0.15 0.54 0.66 0.28 1.06 0.00 0.00 176.91 179.31 1l7d h VAL 1081N 0.85 1.23 0.00 -2.22 2.07 -0.49 -1.08 116.25 116.61 1l7d h VAL 1081Ca 0.31 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 67.38 1l7d h VAL 1081Cb 0.10 -0.21 0.00 0.00 -1.52 0.00 0.00 31.29 29.66 1l7d h VAL 1081CO -0.15 0.24 0.00 0.35 0.02 0.00 0.00 177.57 178.04 1l7d n THR 1082N -4.40 0.97 1.09 2.57 -2.24 -0.50 -1.43 114.28 110.35 1l7d n THR 1082Ca 0.12 0.50 0.12 0.00 -2.27 0.00 0.00 64.05 62.52 1l7d n THR 1082Cb 0.04 -1.46 0.14 0.00 -2.10 0.00 0.00 70.33 66.94 1l7d n THR 1082CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1l7d n LYS 1083N -2.22 1.23 -1.92 -0.78 5.02 -0.42 -4.93 118.16 114.14 1l7d n LYS 1083Ca 0.00 -0.94 -0.30 0.00 -2.02 0.00 0.00 58.31 55.05 1l7d n LYS 1083Cb 0.12 -1.48 0.04 0.00 -0.02 0.00 0.00 35.03 33.69 1l7d n LYS 1083CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1l7d s MET 1084N -2.42 3.03 0.21 1.97 -1.94 -0.52 -4.61 119.30 115.03 1l7d s MET 1084Ca 0.22 0.49 -0.13 0.00 -1.71 0.00 0.00 55.69 54.56 1l7d s MET 1084Cb 0.19 -2.05 -0.07 0.00 2.01 0.00 0.00 34.83 34.90 1l7d s MET 1084CO 0.52 -0.91 0.59 -1.59 -0.01 0.00 0.00 175.02 173.63 1l7d s LYS 1085N -5.29 3.93 0.24 2.03 -2.85 -1.26 -5.01 119.74 111.52 1l7d s LYS 1085Ca 0.57 0.45 -0.31 0.00 -1.00 0.00 0.00 55.97 55.68 1l7d s LYS 1085Cb -0.11 -2.74 -0.13 0.00 -2.06 0.00 0.00 37.83 32.79 1l7d s LYS 1085CO 0.52 0.36 1.41 -2.30 0.10 0.00 0.00 175.35 175.43 1l7d n PRO 1086N 0.24 2.04 -0.01 1.78 -0.02 -1.26 -2.24 135.00 135.53 1l7d n PRO 1086Ca -0.01 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 1l7d n PRO 1086Cb 0.52 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 1l7d n PRO 1086CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1l7d n GLY 1087N 2.13 0.24 3.81 -1.23 0.00 -0.43 -5.02 105.19 104.69 1l7d n GLY 1087Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 1l7d n GLY 1087CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1l7d s SER 1088N -2.37 4.77 0.01 1.61 0.01 -0.95 -4.70 113.70 112.08 1l7d s SER 1088Ca 0.00 1.36 0.04 0.00 1.31 0.00 0.00 55.95 58.66 1l7d s SER 1088Cb 0.00 -2.13 -0.01 0.00 0.21 0.00 0.00 66.02 64.08 1l7d s SER 1088CO 0.00 -1.80 -0.12 -0.69 0.41 0.00 0.00 173.24 171.04 1l7d s VAL 1089N -3.15 0.90 -0.11 3.43 1.01 0.77 -1.77 120.40 121.48 1l7d s VAL 1089Ca 0.60 -0.68 0.02 0.00 0.00 0.00 0.00 61.98 61.92 1l7d s VAL 1089Cb -0.14 -0.79 0.01 0.00 0.00 0.00 0.00 36.38 35.46 1l7d s VAL 1089CO 0.54 0.11 -0.17 -0.63 0.00 0.00 0.00 175.10 174.95 1l7d s ILE 1090N -0.53 1.65 -0.33 2.22 1.01 0.10 -0.67 121.20 124.65 1l7d s ILE 1090Ca 0.02 -0.74 -0.08 0.00 0.00 0.00 0.00 60.65 59.85 1l7d s ILE 1090Cb -0.06 -1.49 0.02 0.00 0.01 0.00 0.00 42.46 40.95 1l7d s ILE 1090CO 0.00 0.47 0.14 -0.63 0.00 0.00 0.00 174.94 174.92 1l7d s ILE 1091N 0.88 4.21 -0.72 2.92 -1.09 0.67 -0.39 121.20 127.68 1l7d s ILE 1091Ca -0.08 -0.80 -0.11 0.00 -2.23 0.00 0.00 60.65 57.43 1l7d s ILE 1091Cb -0.15 -3.27 0.19 0.00 -1.58 0.00 0.00 42.46 37.64 1l7d s ILE 1091CO -0.01 -0.08 0.63 -0.62 -1.23 0.00 0.00 174.94 173.64 1l7d s ASP 1092N 1.51 6.27 0.00 3.58 -1.08 -0.85 -0.94 116.67 125.16 1l7d s ASP 1092Ca 0.02 -2.56 0.14 0.00 -0.52 0.00 0.00 52.55 49.63 1l7d s ASP 1092Cb -0.18 -2.11 0.65 0.00 -1.46 0.00 0.00 42.92 39.82 1l7d s ASP 1092CO 0.04 -0.57 1.44 0.18 0.52 0.00 0.00 175.17 176.79 1l7d n LEU 1093N 4.08 0.00 -1.26 -1.34 4.32 -0.59 -2.50 117.00 119.71 1l7d n LEU 1093Ca 0.07 0.43 0.08 0.00 -0.02 0.00 0.00 56.01 56.58 1l7d n LEU 1093Cb 0.44 -0.43 0.30 0.00 -1.62 0.00 0.00 43.42 42.11 1l7d n LEU 1093CO 0.36 -0.22 0.76 0.00 -1.22 0.00 0.00 177.39 177.08 1l7d n ALA 1094N -1.43 3.07 -0.34 -1.18 0.00 -1.26 -4.66 120.51 114.71 1l7d n ALA 1094Ca 0.05 -1.84 0.06 0.00 0.00 0.00 0.00 53.44 51.71 1l7d n ALA 1094Cb 0.15 -0.84 0.22 0.00 0.00 0.00 0.00 19.45 18.98 1l7d n ALA 1094CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1l7d h VAL 1095N 2.96 0.89 0.00 0.00 3.04 -1.83 0.22 116.25 121.54 1l7d h VAL 1095Ca 0.00 -0.31 0.00 0.00 -1.01 0.00 0.00 66.70 65.38 1l7d h VAL 1095Cb 1.44 -0.09 0.00 0.00 -2.01 0.00 0.00 31.29 30.64 1l7d h VAL 1095CO 0.24 0.16 0.00 -0.33 -1.01 0.00 0.00 177.57 176.64 1l7d h GLU 1096N 0.90 0.00 -0.34 4.17 5.08 -1.87 -2.42 114.58 120.10 1l7d h GLU 1096Ca 0.47 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.80 1l7d h GLU 1096Cb 0.48 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 1l7d h GLU 1096CO -0.27 0.00 0.01 0.00 -1.00 0.00 0.00 179.01 177.75 1l7d n ALA 1097N -2.04 3.33 0.00 3.43 0.00 -0.59 -4.91 120.51 119.74 1l7d n ALA 1097Ca -0.01 -2.34 0.00 0.00 0.00 0.00 0.00 53.44 51.09 1l7d n ALA 1097Cb 0.17 -0.80 0.00 0.00 0.00 0.00 0.00 19.45 18.81 1l7d n ALA 1097CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1l7d n GLY 1098N -0.41 2.56 0.00 0.00 0.00 -0.91 -0.95 105.19 105.47 1l7d n GLY 1098Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 1l7d n GLY 1098CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1l7d n GLY 1099N -0.70 -1.86 0.02 -0.02 0.00 0.68 -4.74 105.19 98.57 1l7d n GLY 1099Ca 0.00 -1.34 0.13 0.00 0.00 0.00 0.00 46.02 44.82 1l7d n GLY 1099CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1l7d n ASN 1100N -1.05 0.27 -3.94 1.61 3.02 -1.26 -4.52 115.26 109.38 1l7d n ASN 1100Ca 0.00 0.01 -0.27 0.00 -0.03 0.00 0.00 54.58 54.29 1l7d n ASN 1100Cb 0.00 -0.15 -0.17 0.00 -0.61 0.00 0.00 39.78 38.85 1l7d n ASN 1100CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1l7d n PRO 1102N 4.79 0.30 0.00 0.00 -0.04 -1.26 -2.22 135.00 136.57 1l7d n PRO 1102Ca -0.14 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.42 1l7d n PRO 1102Cb 0.50 -1.48 -0.04 0.00 -0.04 0.00 0.00 33.50 32.44 1l7d n PRO 1102CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1l7d n LEU 1103N -0.98 1.60 -4.82 1.53 4.32 -1.26 -4.97 117.00 112.42 1l7d n LEU 1103Ca 0.07 -0.64 -0.35 0.00 -0.02 0.00 0.00 56.01 55.07 1l7d n LEU 1103Cb 0.03 -0.01 -0.06 0.00 -1.62 0.00 0.00 43.42 41.76 1l7d n LEU 1103CO 0.05 0.32 0.46 -0.94 -1.22 0.00 0.00 177.39 176.07 1l7d s SER 1104N -2.69 7.01 -0.06 -1.43 1.04 -0.94 -4.90 113.70 111.72 1l7d s SER 1104Ca 0.14 1.45 0.03 0.00 0.48 0.00 0.00 55.95 58.05 1l7d s SER 1104Cb 0.17 -2.44 0.01 0.00 0.10 0.00 0.00 66.02 63.87 1l7d s SER 1104CO 0.69 -0.07 -0.14 -1.61 0.98 0.00 0.00 173.24 173.09 1l7d s GLU 1105N -2.33 1.79 0.12 4.02 2.02 -1.26 -4.96 118.70 118.10 1l7d s GLU 1105Ca 0.48 -0.47 -0.35 0.00 0.02 0.00 0.00 54.97 54.65 1l7d s GLU 1105Cb -0.15 -1.48 -0.16 0.00 0.10 0.00 0.00 34.13 32.45 1l7d s GLU 1105CO 0.20 0.07 1.36 -2.30 0.02 0.00 0.00 175.26 174.61 1l7d n PRO 1106N 3.68 1.41 -0.90 0.39 -0.02 -1.26 -1.55 135.00 136.74 1l7d n PRO 1106Ca -0.22 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 61.77 1l7d n PRO 1106Cb 0.52 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 1l7d n PRO 1106CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1l7d n GLY 1107N 2.60 0.40 3.36 -1.23 0.00 0.84 -4.97 105.19 106.20 1l7d n GLY 1107Ca 0.17 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.99 1l7d n GLY 1107CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1l7d s LYS 1108N -0.69 1.37 -0.30 1.61 1.02 -0.60 -4.86 119.74 117.28 1l7d s LYS 1108Ca 0.00 -1.57 -0.04 0.00 0.02 0.00 0.00 55.97 54.38 1l7d s LYS 1108Cb 0.00 -1.27 0.04 0.00 -0.52 0.00 0.00 37.83 36.08 1l7d s LYS 1108CO 0.00 0.23 0.04 0.42 -0.92 0.00 0.00 175.35 175.12 1l7d s ILE 1109N -2.69 3.40 -0.05 2.17 1.01 -1.26 -1.05 121.20 122.72 1l7d s ILE 1109Ca 0.22 -1.14 -0.02 0.00 0.00 0.00 0.00 60.65 59.72 1l7d s ILE 1109Cb -0.03 -2.88 -0.04 0.00 0.01 0.00 0.00 42.46 39.53 1l7d s ILE 1109CO 0.08 -0.06 0.05 -0.69 0.00 0.00 0.00 174.94 174.32 1l7d s VAL 1110N 1.35 4.63 -0.22 2.92 1.01 -0.19 -4.90 120.40 125.00 1l7d s VAL 1110Ca -0.02 -0.27 -0.01 0.00 0.00 0.00 0.00 61.98 61.68 1l7d s VAL 1110Cb -0.19 -3.03 0.01 0.00 0.00 0.00 0.00 36.38 33.18 1l7d s VAL 1110CO 0.00 0.50 -0.11 -0.69 0.00 0.00 0.00 175.10 174.80 1l7d s VAL 1111N -1.03 2.71 -0.11 2.92 1.01 -1.26 0.10 120.40 124.73 1l7d s VAL 1111Ca 0.17 -0.86 -0.09 0.00 0.00 0.00 0.00 61.98 61.21 1l7d s VAL 1111Cb -0.12 -2.26 0.03 0.00 0.00 0.00 0.00 36.38 34.03 1l7d s VAL 1111CO 0.07 0.38 0.29 -0.54 0.00 0.00 0.00 175.10 175.30 1l7d s LYS 1112N 1.35 0.32 -1.54 2.72 -0.14 -0.65 -4.86 119.74 116.93 1l7d s LYS 1112Ca 0.03 0.45 -0.02 0.00 -1.36 0.00 0.00 55.97 55.07 1l7d s LYS 1112Cb -0.15 0.10 0.01 0.00 -1.68 0.00 0.00 37.83 36.12 1l7d s LYS 1112CO -0.07 -0.07 0.24 0.72 -0.76 0.00 0.00 175.35 175.41 1l7d n HIS 1113N 3.23 -1.45 -0.91 3.18 8.25 -1.26 -0.99 115.22 125.27 1l7d n HIS 1113Ca -0.16 0.21 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 1l7d n HIS 1113Cb 0.57 -3.84 0.00 0.00 1.12 0.00 0.00 29.99 27.84 1l7d n HIS 1113CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1l7d n GLY 1114N -1.15 0.68 3.59 -1.41 0.00 -1.26 -4.64 105.19 100.99 1l7d n GLY 1114Ca -0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.51 1l7d n GLY 1114CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1l7d s VAL 1115N -2.94 3.96 -0.15 1.61 1.01 -0.16 -1.31 120.40 122.41 1l7d s VAL 1115Ca 0.00 -0.37 -0.25 0.00 0.00 0.00 0.00 61.98 61.37 1l7d s VAL 1115Cb 0.00 -2.67 -0.02 0.00 0.00 0.00 0.00 36.38 33.69 1l7d s VAL 1115CO 0.00 0.57 0.79 -0.54 0.00 0.00 0.00 175.10 175.91 1l7d s LYS 1116N -0.44 4.32 -0.39 2.72 1.02 -0.73 -1.64 119.74 124.60 1l7d s LYS 1116Ca 0.07 0.96 -0.00 0.00 0.02 0.00 0.00 55.97 57.02 1l7d s LYS 1116Cb -0.12 -3.55 0.11 0.00 -0.52 0.00 0.00 37.83 33.75 1l7d s LYS 1116CO 0.02 -0.24 0.15 0.42 -0.92 0.00 0.00 175.35 174.78 1l7d s ILE 1117N 1.86 2.90 -0.10 2.17 1.01 0.29 0.02 121.20 129.35 1l7d s ILE 1117Ca 0.37 -2.19 -0.17 0.00 0.00 0.00 0.00 60.65 58.66 1l7d s ILE 1117Cb -0.17 -3.04 -0.05 0.00 0.01 0.00 0.00 42.46 39.22 1l7d s ILE 1117CO 0.14 -0.66 0.44 0.68 0.00 0.00 0.00 174.94 175.54 1l7d s VAL 1118N 1.02 5.16 -0.43 2.92 -7.23 0.48 -1.02 120.40 121.30 1l7d s VAL 1118Ca 0.09 0.89 0.10 0.00 -1.81 0.00 0.00 61.98 61.25 1l7d s VAL 1118Cb -0.21 -3.78 0.32 0.00 0.56 0.00 0.00 36.38 33.27 1l7d s VAL 1118CO -0.06 0.39 0.72 0.61 -0.31 0.00 0.00 175.10 176.45 1l7d n GLY 1119N 2.98 3.84 3.75 2.32 0.00 -0.21 -2.00 105.19 115.86 1l7d n GLY 1119Ca -0.09 -1.91 -0.36 0.00 0.00 0.00 0.00 46.02 43.65 1l7d n GLY 1119CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1l7d s HIS 1120N -2.31 2.29 0.00 1.61 3.76 -1.26 -0.11 115.29 119.27 1l7d s HIS 1120Ca 0.40 1.50 0.00 0.00 -0.15 0.00 0.00 55.06 56.81 1l7d s HIS 1120Cb 0.28 -3.57 0.00 0.00 1.11 0.00 0.00 32.58 30.40 1l7d s HIS 1120CO -0.09 -2.48 0.00 0.25 -0.85 0.00 0.00 174.74 171.57 1l7d n THR 1121N -1.63 0.00 -1.01 1.30 -2.24 -1.26 -4.61 114.28 104.83 1l7d n THR 1121Ca 0.14 0.01 -0.41 0.00 -2.27 0.00 0.00 64.05 61.53 1l7d n THR 1121Cb 0.49 -0.04 -0.06 0.00 -2.10 0.00 0.00 70.33 68.61 1l7d n THR 1121CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1l7d n ASN 1122N 0.00 2.51 -0.29 3.42 2.85 -1.26 -4.78 115.26 117.72 1l7d n ASN 1122Ca 0.00 -2.61 0.06 0.00 -0.11 0.00 0.00 54.58 51.92 1l7d n ASN 1122Cb 0.00 -1.03 0.21 0.00 1.24 0.00 0.00 39.78 40.21 1l7d n ASN 1122CO 0.00 0.00 0.00 0.58 -2.11 0.00 0.00 177.26 175.73 1l7d h VAL 1123N 4.43 0.72 0.00 3.44 2.07 -1.98 -0.21 116.25 124.73 1l7d h VAL 1123Ca 0.40 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.71 1l7d h VAL 1123Cb 0.61 0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.46 1l7d h VAL 1123CO 1.91 0.11 -0.07 1.55 0.02 0.00 0.00 177.57 181.09 1l7d h PRO 1124N 0.59 0.00 0.00 1.57 0.13 -1.86 0.13 132.00 132.56 1l7d h PRO 1124Ca 0.45 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.57 1l7d h PRO 1124Cb 0.63 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.76 1l7d h PRO 1124CO -0.36 0.07 -0.03 1.03 -0.23 0.00 0.00 178.00 178.47 1l7d h SER 1125N 0.00 0.00 0.67 1.44 0.87 -1.40 -0.89 113.55 114.24 1l7d h SER 1125Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1l7d h SER 1125Cb 0.17 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.13 1l7d h SER 1125CO 0.01 0.03 0.00 0.54 -0.53 0.00 0.00 176.83 176.88 1l7d n ARG 1126N -3.13 0.02 -2.11 2.24 1.74 0.45 -1.88 116.66 114.00 1l7d n ARG 1126Ca 0.01 0.20 -0.11 0.00 -0.77 0.00 0.00 57.85 57.18 1l7d n ARG 1126Cb 0.35 -1.54 0.05 0.00 -1.02 0.00 0.00 32.46 30.30 1l7d n ARG 1126CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1l7d n VAL 1127N -1.59 1.92 -0.34 1.55 0.31 -0.36 -4.95 118.33 114.88 1l7d n VAL 1127Ca 0.04 -3.49 0.18 0.00 -0.01 0.00 0.00 64.34 61.06 1l7d n VAL 1127Cb 0.22 -0.11 0.40 0.00 -0.91 0.00 0.00 33.84 33.44 1l7d n VAL 1127CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1l7d h ALA 1128N 2.13 1.86 0.00 3.52 0.00 -1.10 0.38 119.26 126.04 1l7d h ALA 1128Ca 0.13 0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.10 1l7d h ALA 1128Cb 1.42 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.22 1l7d h ALA 1128CO 0.45 -0.32 -0.26 0.00 0.00 0.00 0.00 179.25 179.13 1l7d h ALA 1129N 1.71 1.12 0.00 0.00 0.00 -1.77 -1.69 119.26 118.63 1l7d h ALA 1129Ca 0.64 -0.23 -0.31 0.00 0.00 0.00 0.00 54.91 55.01 1l7d h ALA 1129Cb 1.26 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.95 1l7d h ALA 1129CO -0.45 0.32 -2.28 -0.25 0.00 0.00 0.00 179.25 176.59 1l7d n ASP 1130N -3.58 0.06 -0.04 0.00 10.43 -0.81 -4.36 116.55 118.26 1l7d n ASP 1130Ca -0.01 0.03 -0.12 0.00 2.57 0.00 0.00 54.79 57.26 1l7d n ASP 1130Cb 0.40 1.08 0.01 0.00 1.84 0.00 0.00 41.12 44.44 1l7d n ASP 1130CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1l7d h ALA 1131N 1.15 0.59 -0.14 2.24 0.00 -0.88 -3.22 119.26 119.01 1l7d h ALA 1131Ca -0.45 -0.51 -0.01 0.00 0.00 0.00 0.00 54.91 53.94 1l7d h ALA 1131Cb 2.04 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.75 1l7d h ALA 1131CO 0.03 0.68 0.05 0.77 0.00 0.00 0.00 179.25 180.78 1l7d h SER 1132N 0.55 0.19 -0.70 0.00 0.02 -1.52 -1.01 113.55 111.08 1l7d h SER 1132Ca 0.01 -0.17 0.04 0.00 -0.84 0.00 0.00 61.79 60.83 1l7d h SER 1132Cb 1.12 -0.05 -0.05 0.00 0.14 0.00 0.00 62.40 63.56 1l7d h SER 1132CO 0.11 0.31 0.42 -0.65 -1.14 0.00 0.00 176.83 175.89 1l7d h PRO 1133N 0.06 0.78 -0.62 3.45 0.11 -1.76 -0.29 132.00 133.73 1l7d h PRO 1133Ca 0.04 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 66.02 1l7d h PRO 1133Cb 0.19 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.10 1l7d h PRO 1133CO -0.00 0.52 0.03 -0.07 -0.21 0.00 0.00 178.00 178.26 1l7d h LEU 1134N 0.81 1.05 -0.60 2.35 3.38 -1.54 -0.80 115.31 119.95 1l7d h LEU 1134Ca 0.29 -0.29 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 1l7d h LEU 1134Cb 0.08 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 1l7d h LEU 1134CO -0.13 1.08 0.12 0.15 0.09 0.00 0.00 178.44 179.75 1l7d h PHE 1135N 0.99 1.04 -0.66 1.13 3.57 -0.78 -0.15 116.94 122.08 1l7d h PHE 1135Ca 0.18 -0.13 -0.06 0.00 3.53 0.00 0.00 57.97 61.49 1l7d h PHE 1135Cb 0.53 -0.29 -0.03 0.00 2.79 0.00 0.00 35.95 38.95 1l7d h PHE 1135CO 0.04 0.89 0.19 0.00 -2.23 0.00 0.00 178.31 177.19 1l7d h ALA 1136N 1.03 1.08 -0.07 2.41 0.00 -0.81 -2.19 119.26 120.71 1l7d h ALA 1136Ca 0.19 -0.22 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 1l7d h ALA 1136Cb 0.39 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1l7d h ALA 1136CO 0.01 0.62 -0.51 0.87 0.00 0.00 0.00 179.25 180.23 1l7d h LYS 1137N 0.98 0.19 -0.41 0.00 1.57 -0.70 -1.17 116.57 117.04 1l7d h LYS 1137Ca 0.21 -0.11 -0.03 0.00 -1.87 0.00 0.00 60.65 58.85 1l7d h LYS 1137Cb 0.31 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 1l7d h LYS 1137CO -0.00 0.66 0.14 -0.91 -0.57 0.00 0.00 179.45 178.77 1l7d h ASN 1138N 0.15 0.58 -0.28 0.86 2.35 -0.55 -0.25 115.58 118.44 1l7d h ASN 1138Ca 0.00 -0.19 -0.02 0.00 -0.55 0.00 0.00 56.30 55.54 1l7d h ASN 1138Cb 0.96 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 39.16 1l7d h ASN 1138CO 0.08 0.62 0.08 -0.07 -1.65 0.00 0.00 177.43 176.49 1l7d h LEU 1139N 0.51 0.42 -0.50 1.61 3.38 -1.30 -2.29 115.31 117.14 1l7d h LEU 1139Ca 0.13 -0.21 0.03 0.00 0.09 0.00 0.00 57.88 57.92 1l7d h LEU 1139Cb 0.24 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 1l7d h LEU 1139CO -0.01 0.52 0.29 0.25 0.09 0.00 0.00 178.44 179.58 1l7d h LEU 1140N 0.30 0.47 -1.40 1.67 5.85 -1.06 -0.50 115.31 120.64 1l7d h LEU 1140Ca 0.09 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.77 1l7d h LEU 1140Cb 0.25 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 1l7d h LEU 1140CO -0.00 0.33 -0.12 0.78 -0.34 0.00 0.00 178.44 179.09 1l7d h ASN 1141N 0.58 0.24 0.25 1.25 -0.26 -0.96 0.13 115.58 116.80 1l7d h ASN 1141Ca 0.20 -0.05 -0.25 0.00 -0.56 0.00 0.00 56.30 55.65 1l7d h ASN 1141Cb 0.03 -0.06 0.01 0.00 -1.06 0.00 0.00 38.32 37.24 1l7d h ASN 1141CO -0.10 0.38 -1.02 0.15 -1.06 0.00 0.00 177.43 175.79 1l7d h PHE 1142N 0.24 0.76 0.09 1.19 3.04 -0.90 -3.38 116.94 117.98 1l7d h PHE 1142Ca 0.05 -0.43 -0.14 0.00 3.98 0.00 0.00 57.97 61.44 1l7d h PHE 1142Cb 0.36 -0.08 0.01 0.00 2.56 0.00 0.00 35.95 38.80 1l7d h PHE 1142CO 0.01 1.26 -0.63 1.25 -2.02 0.00 0.00 178.31 178.17 1l7d h LEU 1143N 0.27 0.29 -0.92 0.59 6.46 -0.82 -3.40 115.31 117.78 1l7d h LEU 1143Ca -0.11 -0.94 0.21 0.00 -0.12 0.00 0.00 57.88 56.92 1l7d h LEU 1143Cb 1.66 -0.10 -0.17 0.00 -0.73 0.00 0.00 40.66 41.33 1l7d h LEU 1143CO 0.18 1.29 -0.13 0.74 -0.62 0.00 0.00 178.44 179.91 1l7d h THR 1144N -0.59 0.09 0.00 1.05 2.02 -1.15 -0.92 112.91 113.41 1l7d h THR 1144Ca -0.12 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.05 1l7d h THR 1144Cb 1.44 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.92 1l7d h THR 1144CO 0.08 0.00 0.15 -0.65 0.37 0.00 0.00 175.52 175.48 1l7d h PRO 1145N 0.02 0.00 -0.72 6.66 0.11 -1.77 -2.00 132.00 134.30 1l7d h PRO 1145Ca 0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.60 1l7d h PRO 1145Cb 0.84 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.95 1l7d h PRO 1145CO -0.91 0.00 0.00 0.72 -0.21 0.00 0.00 178.00 177.60 1l7d n HIS 1146N -2.90 0.97 -4.44 0.65 8.25 -0.35 -4.94 115.22 112.46 1l7d n HIS 1146Ca -0.02 -0.50 -0.23 0.00 -0.26 0.00 0.00 57.72 56.71 1l7d n HIS 1146Cb 0.21 -0.01 -0.10 0.00 1.12 0.00 0.00 29.99 31.21 1l7d n HIS 1146CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1l7d s VAL 1147N -1.02 2.30 -0.23 1.59 0.11 -0.75 -1.98 120.40 120.43 1l7d s VAL 1147Ca 0.48 -2.35 -0.27 0.00 -2.93 0.00 0.00 61.98 56.92 1l7d s VAL 1147Cb 0.25 -2.23 0.11 0.00 -1.53 0.00 0.00 36.38 32.98 1l7d s VAL 1147CO 0.33 -0.43 0.95 -0.62 -3.33 0.00 0.00 175.10 172.00 1l7d s ASP 1148N -3.42 -0.48 0.04 3.54 -1.08 -1.26 -5.00 116.67 109.02 1l7d s ASP 1148Ca 0.28 0.80 0.22 0.00 -0.52 0.00 0.00 52.55 53.32 1l7d s ASP 1148Cb -0.04 0.76 0.89 0.00 -1.46 0.00 0.00 42.92 43.07 1l7d s ASP 1148CO 0.13 -0.26 1.68 2.29 0.52 0.00 0.00 175.17 179.53 1l7d n LYS 1149N 1.75 0.04 0.00 4.34 0.00 -1.26 -0.37 118.16 122.66 1l7d n LYS 1149Ca -0.13 0.18 0.00 0.00 -0.00 0.00 0.00 58.31 58.36 1l7d n LYS 1149Cb 0.56 -1.56 0.00 0.00 -0.00 0.00 0.00 35.03 34.03 1l7d n LYS 1149CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1l7d n ASP 1150N -1.64 0.00 0.00 -5.58 8.00 -1.26 0.14 116.55 116.21 1l7d n ASP 1150Ca 0.05 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.55 1l7d n ASP 1150Cb 0.26 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.36 1l7d n ASP 1150CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 1l7d n THR 1151N -1.20 0.04 -3.76 -3.53 5.66 -1.22 -5.06 114.28 105.21 1l7d n THR 1151Ca 0.00 -0.15 -0.23 0.00 -3.05 0.00 0.00 64.05 60.62 1l7d n THR 1151Cb 0.00 1.60 0.02 0.00 -1.55 0.00 0.00 70.33 70.40 1l7d n THR 1151CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 1l7d n LYS 1152N -0.02 -3.96 -4.15 1.09 4.81 0.38 -4.99 118.16 111.31 1l7d n LYS 1152Ca 0.00 0.54 -0.16 0.00 -0.87 0.00 0.00 58.31 57.82 1l7d n LYS 1152Cb 0.23 -4.89 -0.11 0.00 0.02 0.00 0.00 35.03 30.27 1l7d n LYS 1152CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1l7d s THR 1153N -3.73 0.94 -0.28 3.15 2.01 -1.13 -4.05 115.64 112.54 1l7d s THR 1153Ca 0.06 -1.35 -0.16 0.00 0.31 0.00 0.00 61.69 60.56 1l7d s THR 1153Cb -0.02 -1.05 -0.03 0.00 0.01 0.00 0.00 72.50 71.41 1l7d s THR 1153CO 0.84 -0.36 0.41 -0.22 -0.69 0.00 0.00 174.62 174.61 1l7d s LEU 1154N -1.91 4.11 -0.36 4.42 2.96 -1.26 -3.98 118.68 122.66 1l7d s LEU 1154Ca -0.02 0.24 0.01 0.00 -0.22 0.00 0.00 54.13 54.14 1l7d s LEU 1154Cb -0.08 -2.48 0.11 0.00 0.50 0.00 0.00 46.19 44.25 1l7d s LEU 1154CO 0.01 -0.25 0.14 -0.69 -1.32 0.00 0.00 176.35 174.24 1l7d s VAL 1155N 2.15 1.25 -0.31 1.68 1.01 -0.84 -5.05 120.40 120.29 1l7d s VAL 1155Ca 0.16 -1.94 -0.29 0.00 0.00 0.00 0.00 61.98 59.91 1l7d s VAL 1155Cb -0.16 -1.92 -0.02 0.00 0.00 0.00 0.00 36.38 34.29 1l7d s VAL 1155CO 0.10 -0.75 1.69 -0.04 0.00 0.00 0.00 175.10 176.11 1l7d s MET 1156N 1.07 3.50 -0.08 2.72 1.00 -1.26 -4.75 119.30 121.50 1l7d s MET 1156Ca 0.13 1.42 -0.29 0.00 0.00 0.00 0.00 55.69 56.94 1l7d s MET 1156Cb -0.20 -4.13 -0.06 0.00 0.00 0.00 0.00 34.83 30.45 1l7d s MET 1156CO -0.14 -1.65 1.76 0.15 0.00 0.00 0.00 175.02 175.14 1l7d s LYS 1157N 5.27 4.01 0.57 2.03 1.02 -1.26 -4.87 119.74 126.50 1l7d s LYS 1157Ca 0.75 2.17 0.33 0.00 0.02 0.00 0.00 55.97 59.23 1l7d s LYS 1157Cb -0.22 -4.07 1.70 0.00 -0.52 0.00 0.00 37.83 34.72 1l7d s LYS 1157CO 0.32 -1.06 2.14 -0.07 -0.92 0.00 0.00 175.35 175.77 1l7d h LEU 1158N 10.99 0.00 -0.01 3.17 4.07 -1.98 -1.92 115.31 129.63 1l7d h LEU 1158Ca -0.41 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.55 1l7d h LEU 1158Cb 1.19 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.93 1l7d h LEU 1158CO 0.96 0.06 0.00 -0.62 -1.08 0.00 0.00 178.44 177.76 1l7d n GLU 1159N -3.43 0.05 -2.64 1.13 -0.58 -1.26 -4.35 120.64 109.57 1l7d n GLU 1159Ca -0.02 0.07 -0.43 0.00 -0.42 0.00 0.00 57.16 56.36 1l7d n GLU 1159Cb 0.20 -1.57 -0.02 0.00 -0.57 0.00 0.00 31.44 29.48 1l7d n GLU 1159CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1l7d s ASP 1160N -3.31 7.19 0.51 1.62 3.68 -0.72 -4.93 116.67 120.70 1l7d s ASP 1160Ca 0.13 1.57 0.34 0.00 2.13 0.00 0.00 52.55 56.71 1l7d s ASP 1160Cb 0.17 -2.55 1.63 0.00 -1.45 0.00 0.00 42.92 40.72 1l7d s ASP 1160CO 0.52 -0.51 2.02 1.05 0.13 0.00 0.00 175.17 178.39 1l7d h GLU 1161N 7.23 0.00 0.00 4.34 9.09 -1.87 -0.78 114.58 132.59 1l7d h GLU 1161Ca -0.30 0.00 -0.07 0.00 0.05 0.00 0.00 59.36 59.04 1l7d h GLU 1161Cb 1.14 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.23 1l7d h GLU 1161CO 0.88 0.00 -0.32 1.79 0.05 0.00 0.00 179.01 181.41 1l7d h THR 1162N 0.00 0.59 0.00 -1.06 1.35 -1.93 -1.73 112.91 110.12 1l7d h THR 1162Ca 0.00 -1.67 -0.02 0.00 -0.55 0.00 0.00 66.41 64.17 1l7d h THR 1162Cb 0.24 2.17 -0.00 0.00 -1.73 0.00 0.00 68.15 68.83 1l7d h THR 1162CO 0.00 0.31 -0.13 0.58 -0.25 0.00 0.00 175.52 176.03 1l7d h VAL 1163N 0.00 1.02 -0.33 6.82 2.07 -1.44 -2.99 116.25 121.40 1l7d h VAL 1163Ca -0.00 -1.81 -0.08 0.00 0.82 0.00 0.00 66.70 65.63 1l7d h VAL 1163Cb 1.14 1.97 -0.02 0.00 -1.52 0.00 0.00 31.29 32.86 1l7d h VAL 1163CO 0.04 0.35 -0.12 0.77 0.02 0.00 0.00 177.57 178.63 1l7d h SER 1164N -1.00 0.56 0.36 0.57 4.64 -1.52 -1.47 113.55 115.70 1l7d h SER 1164Ca -0.03 -0.15 -0.06 0.00 -0.47 0.00 0.00 61.79 61.08 1l7d h SER 1164Cb 0.66 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.59 1l7d h SER 1164CO -0.02 0.71 -0.28 1.23 -0.87 0.00 0.00 176.83 177.61 1l7d h GLY 1165N 0.95 0.00 0.00 -0.77 0.00 -1.44 -3.30 103.07 98.51 1l7d h GLY 1165Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.43 1l7d h GLY 1165CO 0.03 0.00 -1.71 -1.30 0.00 0.00 0.00 176.54 173.56 1l7d n THR 1166N -4.01 0.00 -2.21 4.70 -2.24 -1.08 -4.70 114.28 104.74 1l7d n THR 1166Ca -0.02 -0.36 -0.42 0.00 -2.27 0.00 0.00 64.05 60.98 1l7d n THR 1166Cb 0.34 0.16 -0.03 0.00 -2.10 0.00 0.00 70.33 68.70 1l7d n THR 1166CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1l7d n VAL 1168N 4.99 0.13 -3.64 0.00 0.24 -0.58 -4.15 118.33 115.31 1l7d n VAL 1168Ca 0.14 -0.36 -0.15 0.00 -2.04 0.00 0.00 64.34 61.93 1l7d n VAL 1168Cb 0.44 0.06 -0.08 0.00 -1.47 0.00 0.00 33.84 32.79 1l7d n VAL 1168CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1l7d s THR 1169N -2.91 0.01 -0.12 3.34 -1.32 -1.24 -0.80 115.64 112.61 1l7d s THR 1169Ca -0.05 -0.09 -0.29 0.00 -1.21 0.00 0.00 61.69 60.05 1l7d s THR 1169Cb 0.08 -0.84 0.08 0.00 -1.51 0.00 0.00 72.50 70.31 1l7d s THR 1169CO 0.59 -0.05 0.72 0.00 -2.21 0.00 0.00 174.62 173.68 1l7d s ARG 1170N -0.46 0.96 -1.29 7.08 1.70 -0.67 -1.34 118.95 124.93 1l7d s ARG 1170Ca -0.06 0.44 0.00 0.00 -0.47 0.00 0.00 55.73 55.64 1l7d s ARG 1170Cb -0.03 0.46 0.00 0.00 -0.57 0.00 0.00 34.95 34.81 1l7d s ARG 1170CO 0.04 -0.26 0.00 -3.47 -1.08 0.00 0.00 175.30 170.54 1l7d n ASP 1171N 1.36 -4.31 -0.02 -2.89 4.64 -1.26 -1.11 116.55 112.96 1l7d n ASP 1171Ca -0.17 0.18 -0.00 0.00 -1.38 0.00 0.00 54.79 53.42 1l7d n ASP 1171Cb 0.57 -3.69 -0.00 0.00 -1.04 0.00 0.00 41.12 36.96 1l7d n ASP 1171CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1l7d n GLY 1172N -0.75 0.39 2.81 0.27 0.00 -1.26 -4.94 105.19 101.71 1l7d n GLY 1172Ca -0.17 -1.03 -0.14 0.00 0.00 0.00 0.00 46.02 44.69 1l7d n GLY 1172CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1l7d s ALA 1173N -2.01 0.01 0.12 4.61 0.00 -0.27 -4.88 121.76 119.35 1l7d s ALA 1173Ca 0.00 0.30 -0.31 0.00 0.00 0.00 0.00 51.96 51.95 1l7d s ALA 1173Cb 0.00 -0.23 -0.08 0.00 0.00 0.00 0.00 23.12 22.81 1l7d s ALA 1173CO 0.00 -0.09 1.38 0.42 0.00 0.00 0.00 175.76 177.47 1l7d s ILE 1174N 0.87 3.29 -0.05 0.00 1.01 -1.26 -1.66 121.20 123.39 1l7d s ILE 1174Ca -0.07 0.94 0.01 0.00 0.00 0.00 0.00 60.65 61.52 1l7d s ILE 1174Cb -0.10 -3.60 -0.00 0.00 0.01 0.00 0.00 42.46 38.77 1l7d s ILE 1174CO -0.03 0.08 0.25 1.33 0.00 0.00 0.00 174.94 176.57 1l7d n VAL 1175N 3.84 0.00 -4.77 2.92 0.24 0.02 -4.95 118.33 115.63 1l7d n VAL 1175Ca 0.11 -0.49 -0.33 0.00 -2.04 0.00 0.00 64.34 61.59 1l7d n VAL 1175Cb 0.42 1.01 -0.14 0.00 -1.47 0.00 0.00 33.84 33.66 1l7d n VAL 1175CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1l7d s HIS 1176N -0.60 2.81 -0.13 6.34 5.65 -1.19 -4.97 115.29 123.21 1l7d s HIS 1176Ca 0.00 -0.52 -0.29 0.00 0.25 0.00 0.00 55.06 54.51 1l7d s HIS 1176Cb 0.00 -1.81 -0.03 0.00 -1.18 0.00 0.00 32.58 29.57 1l7d s HIS 1176CO 0.02 -0.11 1.35 -1.25 -0.65 0.00 0.00 174.74 174.09 1l7d s PRO 1177N 0.13 4.23 0.00 2.88 0.04 -1.26 -5.01 135.00 136.01 1l7d s PRO 1177Ca -0.06 1.79 0.00 0.00 0.04 0.00 0.00 61.00 62.77 1l7d s PRO 1177Cb -0.15 -3.79 0.00 0.00 0.04 0.00 0.00 34.50 30.60 1l7d s PRO 1177CO 0.05 -0.72 0.00 0.00 0.04 0.00 0.00 177.00 176.37