#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f2x s VAL 802 N 0.00 3.75 -0.06 -0.39 1.01 -1.26 -4.50 120.40 118.94 1f2x s VAL 802 Ca 0.00 -0.41 0.03 0.00 0.00 0.00 0.00 61.98 61.60 1f2x s VAL 802 Cb 0.00 -2.64 0.01 0.00 0.00 0.00 0.00 36.38 33.75 1f2x s VAL 802 CO 0.00 0.49 -0.14 -1.58 0.00 0.00 0.00 175.10 173.87 1f2x s GLN 803 N 0.43 1.76 -0.20 2.72 2.00 -0.74 -4.99 119.66 120.64 1f2x s GLN 803 Ca -0.05 -0.48 -0.02 0.00 -2.00 0.00 0.00 55.36 52.82 1f2x s GLN 803 Cb -0.14 -1.46 -0.00 0.00 0.80 0.00 0.00 33.01 32.20 1f2x s GLN 803 CO 0.03 0.09 -0.10 -0.51 -0.50 0.00 0.00 175.29 174.30 1f2x s LEU 804 N 0.48 2.65 -0.17 3.68 1.02 -1.26 -0.32 118.68 124.76 1f2x s LEU 804 Ca -0.12 -0.47 0.01 0.00 0.02 0.00 0.00 54.13 53.57 1f2x s LEU 804 Cb -0.15 -1.65 0.02 0.00 0.02 0.00 0.00 46.19 44.44 1f2x s LEU 804 CO 0.04 -0.00 -0.16 -0.69 0.02 0.00 0.00 176.35 175.55 1f2x s VAL 805 N 1.35 1.79 0.07 -1.59 1.01 -0.48 -4.30 120.40 118.25 1f2x s VAL 805 Ca 0.04 -0.82 -0.12 0.00 0.00 0.00 0.00 61.98 61.09 1f2x s VAL 805 Cb -0.14 -1.67 -0.06 0.00 0.00 0.00 0.00 36.38 34.51 1f2x s VAL 805 CO -0.06 0.45 0.43 -1.61 0.00 0.00 0.00 175.10 174.32 1f2x s GLU 806 N 1.39 3.85 0.27 2.72 8.01 -1.26 -1.08 118.70 132.60 1f2x s GLU 806 Ca 0.04 0.31 -0.11 0.00 0.01 0.00 0.00 54.97 55.22 1f2x s GLU 806 Cb -0.13 -3.04 -0.00 0.00 -4.31 0.00 0.00 34.13 26.64 1f2x s GLU 806 CO -0.11 0.58 0.49 -1.54 0.01 0.00 0.00 175.26 174.68 1f2x s SER 807 N -1.57 0.08 0.00 -0.19 1.04 -0.25 -4.87 113.70 107.94 1f2x s SER 807 Ca 0.32 -1.04 0.00 0.00 0.48 0.00 0.00 55.95 55.71 1f2x s SER 807 Cb -0.15 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.58 1f2x s SER 807 CO 0.17 -1.19 0.00 0.61 0.98 0.00 0.00 173.24 173.81 1f2x n GLY 808 N -0.42 0.30 3.82 7.32 0.00 -1.26 -0.64 105.19 114.31 1f2x n GLY 808 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 1f2x n GLY 808 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1f2x s GLY 809 N -1.94 1.73 0.00 -0.02 0.00 -1.26 -4.43 107.32 101.40 1f2x s GLY 809 Ca 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 44.72 43.54 1f2x s GLY 809 CO 0.00 -0.34 0.00 0.61 0.00 0.00 0.00 173.10 173.37 1f2x n GLY 810 N -2.87 -0.50 3.24 0.20 0.00 -0.74 -5.00 105.19 99.52 1f2x n GLY 810 Ca 0.15 -1.05 -0.33 0.00 0.00 0.00 0.00 46.02 44.80 1f2x n GLY 810 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1f2x s SER 811 N -4.00 3.44 0.06 1.61 0.01 -1.26 -0.70 113.70 112.86 1f2x s SER 811 Ca 0.00 -0.51 -0.01 0.00 1.31 0.00 0.00 55.95 56.74 1f2x s SER 811 Cb 0.00 -1.51 -0.04 0.00 0.21 0.00 0.00 66.02 64.68 1f2x s SER 811 CO 0.00 0.10 -0.02 0.68 0.41 0.00 0.00 173.24 174.41 1f2x s VAL 812 N 0.73 0.20 0.31 3.43 -7.23 -0.07 -4.97 120.40 112.81 1f2x s VAL 812 Ca -0.08 -1.82 -0.17 0.00 -1.81 0.00 0.00 61.98 58.10 1f2x s VAL 812 Cb -0.16 -1.60 -0.09 0.00 0.56 0.00 0.00 36.38 35.09 1f2x s VAL 812 CO 0.01 -0.91 0.77 -1.10 -0.31 0.00 0.00 175.10 173.56 1f2x s GLN 813 N -3.94 4.12 0.42 4.82 -0.21 -1.26 -0.82 119.66 122.78 1f2x s GLN 813 Ca 0.10 0.81 -0.23 0.00 0.02 0.00 0.00 55.36 56.05 1f2x s GLN 813 Cb 0.08 -2.52 -0.12 0.00 1.00 0.00 0.00 33.01 31.45 1f2x s GLN 813 CO -0.08 0.19 0.74 0.00 -2.12 0.00 0.00 175.29 174.03 1f2x n ALA 814 N -0.10 -0.83 0.00 6.09 0.00 0.19 -1.34 120.51 124.52 1f2x n ALA 814 Ca 0.03 0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1f2x n ALA 814 Cb 0.53 -1.90 0.00 0.00 0.00 0.00 0.00 19.45 18.08 1f2x n ALA 814 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1f2x n GLY 815 N 1.54 3.19 2.68 0.00 0.00 0.37 -4.94 105.19 108.02 1f2x n GLY 815 Ca 0.11 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.92 1f2x n GLY 815 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1f2x n GLY 816 N -1.88 -1.93 3.37 -0.02 0.00 -0.45 -3.96 105.19 100.32 1f2x n GLY 816 Ca 0.00 -1.61 -0.19 0.00 0.00 0.00 0.00 46.02 44.22 1f2x n GLY 816 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1f2x s SER 817 N -4.15 2.45 0.17 1.61 0.01 -1.26 -1.51 113.70 111.02 1f2x s SER 817 Ca 0.53 -1.13 -0.09 0.00 1.31 0.00 0.00 55.95 56.57 1f2x s SER 817 Cb -0.03 -0.11 -0.01 0.00 0.21 0.00 0.00 66.02 66.08 1f2x s SER 817 CO 0.39 -0.32 0.30 -0.76 0.41 0.00 0.00 173.24 173.26 1f2x s LEU 818 N -3.36 0.89 -0.15 2.44 1.43 -0.48 -5.02 118.68 114.43 1f2x s LEU 818 Ca 0.26 -0.88 -0.03 0.00 -1.03 0.00 0.00 54.13 52.45 1f2x s LEU 818 Cb 0.03 1.24 0.05 0.00 0.03 0.00 0.00 46.19 47.54 1f2x s LEU 818 CO 0.09 -0.91 0.05 -0.60 0.23 0.00 0.00 176.35 175.20 1f2x s ARG 819 N -3.97 0.43 0.20 1.70 3.52 -1.26 -1.27 118.95 118.29 1f2x s ARG 819 Ca 0.18 -0.17 -0.12 0.00 -0.13 0.00 0.00 55.73 55.48 1f2x s ARG 819 Cb 0.03 -1.71 -0.07 0.00 -1.56 0.00 0.00 34.95 31.63 1f2x s ARG 819 CO 0.01 -0.57 0.57 -0.51 -0.81 0.00 0.00 175.30 173.99 1f2x s LEU 820 N 1.98 4.24 0.07 -0.88 1.43 0.57 -4.50 118.68 121.60 1f2x s LEU 820 Ca 0.01 1.03 0.06 0.00 -1.03 0.00 0.00 54.13 54.20 1f2x s LEU 820 Cb -0.16 -3.52 -0.03 0.00 0.03 0.00 0.00 46.19 42.52 1f2x s LEU 820 CO -0.07 -0.00 -0.17 -0.94 0.23 0.00 0.00 176.35 175.39 1f2x s SER 821 N -2.05 2.04 -0.26 2.29 1.04 0.18 -0.68 113.70 116.27 1f2x s SER 821 Ca 0.43 -0.58 -0.00 0.00 0.48 0.00 0.00 55.95 56.28 1f2x s SER 821 Cb -0.13 -0.11 0.08 0.00 0.10 0.00 0.00 66.02 65.95 1f2x s SER 821 CO 0.20 0.03 0.03 0.00 0.98 0.00 0.00 173.24 174.47 1f2x s ALA 823 N 1.53 3.55 -0.08 0.00 0.00 -0.24 -1.03 121.76 125.50 1f2x s ALA 823 Ca 0.02 -0.48 -0.05 0.00 0.00 0.00 0.00 51.96 51.45 1f2x s ALA 823 Cb -0.18 -2.74 -0.04 0.00 0.00 0.00 0.00 23.12 20.16 1f2x s ALA 823 CO -0.13 -0.41 0.13 0.00 0.00 0.00 0.00 175.76 175.35 1f2x s ALA 824 N 1.56 3.82 -0.10 0.00 0.00 -0.88 -1.38 121.76 124.78 1f2x s ALA 824 Ca 0.21 -0.71 0.03 0.00 0.00 0.00 0.00 51.96 51.50 1f2x s ALA 824 Cb -0.15 -1.87 0.01 0.00 0.00 0.00 0.00 23.12 21.11 1f2x s ALA 824 CO 0.09 0.66 -0.20 0.45 0.00 0.00 0.00 175.76 176.75 1f2x s SER 825 N -1.32 2.78 -0.53 0.00 0.15 0.56 -4.70 113.70 110.63 1f2x s SER 825 Ca 0.19 -0.50 0.00 0.00 0.70 0.00 0.00 55.95 56.33 1f2x s SER 825 Cb -0.12 -1.27 0.00 0.00 -1.71 0.00 0.00 66.02 62.92 1f2x s SER 825 CO 0.09 0.11 0.00 0.61 1.20 0.00 0.00 173.24 175.24 1f2x n GLY 826 N 3.75 0.60 3.57 9.45 0.00 -1.26 -1.79 105.19 119.50 1f2x n GLY 826 Ca -0.20 -0.78 -0.05 0.00 0.00 0.00 0.00 46.02 45.00 1f2x n GLY 826 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1f2x s TYR 827 N -2.22 -1.13 -0.15 1.61 5.04 -1.26 -4.82 117.35 114.43 1f2x s TYR 827 Ca 0.00 2.09 -0.26 0.00 -2.44 0.00 0.00 57.07 56.46 1f2x s TYR 827 Cb 0.00 0.65 -0.02 0.00 0.35 0.00 0.00 41.96 42.94 1f2x s TYR 827 CO 0.00 -0.57 0.86 0.99 -1.34 0.00 0.00 175.55 175.48 1f2x s THR 828 N 2.31 4.87 0.28 4.34 2.01 -1.26 -4.80 115.64 123.38 1f2x s THR 828 Ca -0.07 1.70 0.11 0.00 0.31 0.00 0.00 61.69 63.74 1f2x s THR 828 Cb -0.09 -4.16 -0.00 0.00 0.01 0.00 0.00 72.50 68.25 1f2x s THR 828 CO -0.18 0.04 1.65 -0.37 -0.69 0.00 0.00 174.62 175.06 1f2x h VAL 829 N 5.14 1.39 -0.00 3.82 -1.51 -1.93 -3.31 116.25 119.84 1f2x h VAL 829 Ca -0.31 -1.98 0.00 0.00 -1.23 0.00 0.00 66.70 63.18 1f2x h VAL 829 Cb 1.14 2.08 0.00 0.00 -2.13 0.00 0.00 31.29 32.38 1f2x h VAL 829 CO 0.83 0.56 -0.08 -1.54 -1.23 0.00 0.00 177.57 176.11 1f2x n SER 830 N -3.82 0.18 0.02 4.19 3.41 -1.26 -3.84 113.62 112.49 1f2x n SER 830 Ca -0.01 -0.08 0.11 0.00 -0.26 0.00 0.00 58.87 58.63 1f2x n SER 830 Cb 0.58 -0.24 -0.13 0.00 -0.26 0.00 0.00 64.21 64.17 1f2x n SER 830 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1f2x n THR 831 N -1.28 0.16 -4.40 6.66 -2.24 -1.25 -4.17 114.28 107.76 1f2x n THR 831 Ca 0.11 -0.51 -0.22 0.00 -2.27 0.00 0.00 64.05 61.16 1f2x n THR 831 Cb 0.29 -0.09 -0.10 0.00 -2.10 0.00 0.00 70.33 68.33 1f2x n THR 831 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1f2x s TYR 832 N -3.48 2.00 -0.01 4.78 1.51 -1.25 -4.62 117.35 116.28 1f2x s TYR 832 Ca -0.06 -0.45 -0.30 0.00 -1.01 0.00 0.00 57.07 55.26 1f2x s TYR 832 Cb 0.13 -0.91 -0.07 0.00 -0.11 0.00 0.00 41.96 41.00 1f2x s TYR 832 CO 0.88 0.53 1.80 0.00 -1.11 0.00 0.00 175.55 177.65 1f2x s MET 834 N 4.25 1.78 0.14 0.00 -1.94 -0.26 -1.19 119.30 122.08 1f2x s MET 834 Ca 0.80 -1.95 -0.22 0.00 -1.71 0.00 0.00 55.69 52.61 1f2x s MET 834 Cb -0.38 -1.45 0.08 0.00 2.01 0.00 0.00 34.83 35.10 1f2x s MET 834 CO 0.35 0.01 1.06 0.41 -0.01 0.00 0.00 175.02 176.84 1f2x n GLY 835 N -0.79 0.54 3.29 -0.03 0.00 -0.45 -0.05 105.19 107.70 1f2x n GLY 835 Ca -0.05 -1.13 -0.29 0.00 0.00 0.00 0.00 46.02 44.56 1f2x n GLY 835 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1f2x s TRP 836 N -2.15 2.11 0.17 1.61 0.52 0.26 -0.42 118.94 121.04 1f2x s TRP 836 Ca 0.24 -0.40 0.04 0.00 0.02 0.00 0.00 56.10 56.00 1f2x s TRP 836 Cb -0.02 -1.30 -0.05 0.00 -1.15 0.00 0.00 33.47 30.95 1f2x s TRP 836 CO 0.04 0.06 -0.06 -0.59 0.02 0.00 0.00 176.95 176.42 1f2x s PHE 837 N -0.71 1.34 0.19 -1.98 -0.12 -0.71 -1.05 117.98 114.94 1f2x s PHE 837 Ca 0.10 -0.84 0.02 0.00 -0.05 0.00 0.00 56.93 56.16 1f2x s PHE 837 Cb -0.09 -0.72 -0.05 0.00 -0.63 0.00 0.00 43.02 41.53 1f2x s PHE 837 CO 0.01 0.01 0.00 -0.98 -0.05 0.00 0.00 175.22 174.21 1f2x s ARG 838 N -3.80 1.18 -0.16 1.99 1.70 0.01 -0.84 118.95 119.03 1f2x s ARG 838 Ca 0.21 -1.58 -0.05 0.00 -0.47 0.00 0.00 55.73 53.85 1f2x s ARG 838 Cb 0.04 -0.36 0.06 0.00 -0.57 0.00 0.00 34.95 34.12 1f2x s ARG 838 CO 0.03 -0.13 0.08 -1.14 -1.08 0.00 0.00 175.30 173.07 1f2x s GLN 839 N -3.90 0.11 0.29 3.89 0.74 -0.28 -0.70 119.66 119.81 1f2x s GLN 839 Ca 0.26 -0.08 -0.15 0.00 0.05 0.00 0.00 55.36 55.44 1f2x s GLN 839 Cb 0.06 -1.75 -0.09 0.00 1.10 0.00 0.00 33.01 32.33 1f2x s GLN 839 CO 0.06 -0.64 0.70 0.00 -0.55 0.00 0.00 175.29 174.85 1f2x s ALA 840 N 2.11 3.38 -0.10 1.58 0.00 -1.26 -1.53 121.76 125.95 1f2x s ALA 840 Ca 0.02 -0.00 -0.29 0.00 0.00 0.00 0.00 51.96 51.68 1f2x s ALA 840 Cb -0.16 -2.71 -0.05 0.00 0.00 0.00 0.00 23.12 20.20 1f2x s ALA 840 CO -0.08 0.37 1.66 -1.25 0.00 0.00 0.00 175.76 176.46 1f2x s PRO 841 N -2.80 4.04 0.00 0.00 0.04 -1.26 -1.34 135.00 133.68 1f2x s PRO 841 Ca 0.51 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.60 1f2x s PRO 841 Cb -0.11 -4.01 0.00 0.00 0.04 0.00 0.00 34.50 30.42 1f2x s PRO 841 CO 0.18 -1.01 0.00 0.41 0.04 0.00 0.00 177.00 176.63 1f2x n GLY 842 N 4.32 0.28 3.46 0.56 0.00 -1.26 -5.07 105.19 107.48 1f2x n GLY 842 Ca 0.18 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.98 1f2x n GLY 842 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1f2x s LYS 843 N -0.97 1.62 0.51 1.61 1.02 -0.45 -5.14 119.74 117.94 1f2x s LYS 843 Ca 0.00 -1.81 -0.19 0.00 0.02 0.00 0.00 55.97 53.99 1f2x s LYS 843 Cb 0.00 -1.35 -0.07 0.00 -0.52 0.00 0.00 37.83 35.89 1f2x s LYS 843 CO 0.00 0.10 1.04 -1.21 -0.92 0.00 0.00 175.35 174.36 1f2x s GLU 844 N -3.67 3.69 0.67 1.68 8.01 -1.26 -4.41 118.70 123.41 1f2x s GLU 844 Ca 0.30 1.33 -0.17 0.00 0.01 0.00 0.00 54.97 56.44 1f2x s GLU 844 Cb 0.02 -2.08 0.00 0.00 -4.31 0.00 0.00 34.13 27.77 1f2x s GLU 844 CO 0.13 -0.52 1.22 -0.98 0.01 0.00 0.00 175.26 175.13 1f2x s ARG 845 N -3.43 2.51 -0.01 1.61 3.03 -1.26 -4.63 118.95 116.77 1f2x s ARG 845 Ca 0.66 1.83 -0.02 0.00 2.03 0.00 0.00 55.73 60.24 1f2x s ARG 845 Cb -0.16 -1.87 0.00 0.00 -1.03 0.00 0.00 34.95 31.89 1f2x s ARG 845 CO 0.24 -1.57 0.05 -2.00 -1.13 0.00 0.00 175.30 170.89 1f2x s GLU 846 N -3.62 0.14 0.18 3.89 2.12 0.13 -4.98 118.70 116.55 1f2x s GLU 846 Ca 0.77 -0.08 -0.30 0.00 0.36 0.00 0.00 54.97 55.72 1f2x s GLU 846 Cb -0.31 0.06 -0.08 0.00 0.26 0.00 0.00 34.13 34.05 1f2x s GLU 846 CO 0.40 -0.02 1.30 0.20 -0.54 0.00 0.00 175.26 176.60 1f2x s GLY 847 N -0.33 2.42 -0.12 -1.50 0.00 -1.26 -0.81 107.32 105.72 1f2x s GLY 847 Ca -0.04 1.08 -0.08 0.00 0.00 0.00 0.00 44.72 45.68 1f2x s GLY 847 CO 0.00 2.08 -0.19 -0.62 0.00 0.00 0.00 173.10 174.37 1f2x n VAL 848 N 2.84 1.02 -3.59 1.40 0.31 -0.22 -4.43 118.33 115.66 1f2x n VAL 848 Ca 0.07 -0.04 -0.16 0.00 -0.01 0.00 0.00 64.34 64.20 1f2x n VAL 848 Cb 0.43 -1.81 -0.06 0.00 -0.91 0.00 0.00 33.84 31.49 1f2x n VAL 848 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1f2x s ALA 849 N -2.35 -1.45 0.09 3.52 0.00 -0.94 -0.88 121.76 119.75 1f2x s ALA 849 Ca -0.19 0.95 0.02 0.00 0.00 0.00 0.00 51.96 52.73 1f2x s ALA 849 Cb 0.06 0.09 -0.04 0.00 0.00 0.00 0.00 23.12 23.23 1f2x s ALA 849 CO 0.25 -0.37 -0.06 0.95 0.00 0.00 0.00 175.76 176.53 1f2x s THR 850 N -1.45 0.66 -0.16 0.00 -4.23 -0.30 -0.57 115.64 109.59 1f2x s THR 850 Ca -0.11 -1.91 -0.14 0.00 -1.18 0.00 0.00 61.69 58.36 1f2x s THR 850 Cb -0.01 -1.65 0.04 0.00 1.34 0.00 0.00 72.50 72.22 1f2x s THR 850 CO 0.06 -0.87 0.41 -0.51 -0.54 0.00 0.00 174.62 173.18 1f2x s ILE 851 N -3.60 -0.00 -0.26 2.99 2.07 0.93 -1.75 121.20 121.58 1f2x s ILE 851 Ca 0.11 0.01 -0.02 0.00 -1.41 0.00 0.00 60.65 59.34 1f2x s ILE 851 Cb 0.05 -0.58 0.11 0.00 0.13 0.00 0.00 42.46 42.17 1f2x s ILE 851 CO -0.05 0.01 0.23 -0.22 -1.91 0.00 0.00 174.94 172.99 1f2x s LEU 852 N 0.40 0.00 0.00 8.50 0.20 -0.50 -1.10 118.68 126.18 1f2x s LEU 852 Ca -0.01 -0.74 0.00 0.00 0.69 0.00 0.00 54.13 54.07 1f2x s LEU 852 Cb -0.04 0.24 0.00 0.00 -0.43 0.00 0.00 46.19 45.97 1f2x s LEU 852 CO -0.02 -0.38 0.00 0.61 -0.29 0.00 0.00 176.35 176.27 1f2x n GLY 853 N 5.30 3.67 0.29 7.98 0.00 -1.26 -0.71 105.19 120.45 1f2x n GLY 853 Ca -0.04 -0.04 0.14 0.00 0.00 0.00 0.00 46.02 46.08 1f2x n GLY 853 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1f2x n GLY 854 N 0.00 -0.47 3.71 -0.02 0.00 -1.26 -4.86 105.19 102.29 1f2x n GLY 854 Ca 0.00 -0.37 -0.37 0.00 0.00 0.00 0.00 46.02 45.29 1f2x n GLY 854 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1f2x s SER 855 N -2.21 6.46 0.06 1.61 0.01 0.11 -5.07 113.70 114.67 1f2x s SER 855 Ca 0.34 0.54 0.07 0.00 1.31 0.00 0.00 55.95 58.22 1f2x s SER 855 Cb 0.21 -2.21 -0.03 0.00 0.21 0.00 0.00 66.02 64.20 1f2x s SER 855 CO 0.41 0.04 -0.19 0.42 0.41 0.00 0.00 173.24 174.33 1f2x s THR 856 N 0.70 1.55 -0.00 1.44 -4.23 -1.26 -1.42 115.64 112.41 1f2x s THR 856 Ca 0.18 -1.29 0.00 0.00 -1.18 0.00 0.00 61.69 59.41 1f2x s THR 856 Cb -0.14 -1.38 0.00 0.00 1.34 0.00 0.00 72.50 72.33 1f2x s THR 856 CO 0.06 0.05 -0.01 -0.31 -0.54 0.00 0.00 174.62 173.87 1f2x s TYR 857 N -0.96 0.14 0.05 3.99 1.51 -0.72 -4.99 117.35 116.37 1f2x s TYR 857 Ca 0.05 -0.01 0.06 0.00 -1.01 0.00 0.00 57.07 56.16 1f2x s TYR 857 Cb -0.09 -0.12 -0.02 0.00 -0.11 0.00 0.00 41.96 41.61 1f2x s TYR 857 CO 0.03 -0.02 -0.16 0.71 -1.11 0.00 0.00 175.55 174.99 1f2x s TYR 858 N 0.14 1.41 0.62 2.71 2.02 -1.26 -1.15 117.35 121.83 1f2x s TYR 858 Ca -0.01 -0.37 -0.17 0.00 -0.37 0.00 0.00 57.07 56.15 1f2x s TYR 858 Cb -0.03 -0.83 -0.02 0.00 -0.40 0.00 0.00 41.96 40.69 1f2x s TYR 858 CO -0.00 0.06 1.16 0.20 -1.57 0.00 0.00 175.55 175.40 1f2x s GLY 859 N -1.24 2.48 0.45 0.71 0.00 -0.06 -4.81 107.32 104.85 1f2x s GLY 859 Ca 0.03 0.81 0.12 0.00 0.00 0.00 0.00 44.72 45.68 1f2x s GLY 859 CO 0.02 1.19 2.05 -0.55 0.00 0.00 0.00 173.10 175.80 1f2x h ASP 860 N 0.52 0.18 0.51 1.64 3.32 -1.91 -2.20 116.42 118.48 1f2x h ASP 860 Ca -0.49 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.55 1f2x h ASP 860 Cb 1.27 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.78 1f2x h ASP 860 CO 0.54 0.21 -0.20 -1.54 -1.72 0.00 0.00 179.24 176.53 1f2x n SER 861 N -4.43 0.45 -0.20 6.45 3.41 -1.26 -3.74 113.62 114.31 1f2x n SER 861 Ca -0.01 -0.32 0.03 0.00 -0.26 0.00 0.00 58.87 58.32 1f2x n SER 861 Cb 0.14 -0.05 0.01 0.00 -0.26 0.00 0.00 64.21 64.05 1f2x n SER 861 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1f2x n VAL 862 N -1.16 0.00 -2.06 -3.33 0.24 -0.98 -4.98 118.33 106.07 1f2x n VAL 862 Ca 0.10 -0.45 -0.41 0.00 -2.04 0.00 0.00 64.34 61.54 1f2x n VAL 862 Cb 0.31 1.10 -0.02 0.00 -1.47 0.00 0.00 33.84 33.76 1f2x n VAL 862 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 1f2x s LYS 863 N -0.95 4.29 0.00 7.34 -2.85 -0.87 -1.67 119.74 125.03 1f2x s LYS 863 Ca 0.07 2.25 0.00 0.00 -1.00 0.00 0.00 55.97 57.28 1f2x s LYS 863 Cb 0.06 -3.13 0.00 0.00 -2.06 0.00 0.00 37.83 32.70 1f2x s LYS 863 CO 0.15 -0.38 0.00 0.41 0.10 0.00 0.00 175.35 175.63 1f2x n GLY 864 N 2.25 3.06 0.08 0.59 0.00 -1.26 -4.81 105.19 105.09 1f2x n GLY 864 Ca 0.07 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.01 1f2x n GLY 864 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1f2x n ARG 865 N -0.62 1.37 -4.07 1.61 1.74 -0.67 -5.00 116.66 111.02 1f2x n ARG 865 Ca 0.00 -0.01 -0.29 0.00 -0.77 0.00 0.00 57.85 56.78 1f2x n ARG 865 Cb 0.00 -1.41 -0.06 0.00 -1.02 0.00 0.00 32.46 29.96 1f2x n ARG 865 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1f2x s PHE 866 N -2.40 3.15 -0.03 -1.55 0.40 -0.99 -0.58 117.98 116.00 1f2x s PHE 866 Ca -0.08 0.04 0.01 0.00 -0.60 0.00 0.00 56.93 56.29 1f2x s PHE 866 Cb 0.05 -1.58 0.02 0.00 0.51 0.00 0.00 43.02 42.02 1f2x s PHE 866 CO 0.66 0.52 -0.00 0.99 0.70 0.00 0.00 175.22 178.08 1f2x s THR 867 N -1.48 0.19 -0.07 0.64 2.01 0.33 -4.90 115.64 112.35 1f2x s THR 867 Ca 0.29 0.05 -0.01 0.00 0.31 0.00 0.00 61.69 62.34 1f2x s THR 867 Cb -0.11 -0.27 -0.03 0.00 0.01 0.00 0.00 72.50 72.10 1f2x s THR 867 CO 0.22 0.13 -0.02 -0.51 -0.69 0.00 0.00 174.62 173.75 1f2x s ILE 868 N 0.85 4.10 0.24 1.82 2.07 -1.26 -0.15 121.20 128.87 1f2x s ILE 868 Ca -0.09 -0.36 -0.15 0.00 -1.41 0.00 0.00 60.65 58.65 1f2x s ILE 868 Cb -0.12 -2.72 0.01 0.00 0.13 0.00 0.00 42.46 39.76 1f2x s ILE 868 CO -0.01 0.58 0.53 -0.94 -1.91 0.00 0.00 174.94 173.18 1f2x s SER 869 N -0.93 -0.16 0.08 4.50 1.04 -0.79 -4.99 113.70 112.45 1f2x s SER 869 Ca 0.14 -0.76 0.02 0.00 0.48 0.00 0.00 55.95 55.83 1f2x s SER 869 Cb -0.11 0.61 -0.03 0.00 0.10 0.00 0.00 66.02 66.58 1f2x s SER 869 CO 0.03 -1.15 -0.08 0.00 0.98 0.00 0.00 173.24 173.02 1f2x s GLN 870 N -3.96 0.74 -0.29 4.02 -2.07 -1.26 -0.35 119.66 116.48 1f2x s GLN 870 Ca 0.17 -1.11 0.02 0.00 -1.82 0.00 0.00 55.36 52.61 1f2x s GLN 870 Cb -0.02 -0.30 0.08 0.00 -1.09 0.00 0.00 33.01 31.69 1f2x s GLN 870 CO 0.05 0.02 0.02 0.34 -1.32 0.00 0.00 175.29 174.41 1f2x s ASP 871 N -2.45 4.26 0.32 12.60 3.68 0.26 -4.98 116.67 130.37 1f2x s ASP 871 Ca 0.03 -1.66 0.05 0.00 2.13 0.00 0.00 52.55 53.11 1f2x s ASP 871 Cb -0.01 -1.29 0.54 0.00 -1.45 0.00 0.00 42.92 40.72 1f2x s ASP 871 CO -0.02 -0.33 1.80 -0.55 0.13 0.00 0.00 175.17 176.20 1f2x h ASN 872 N 7.85 0.40 0.30 -0.34 -0.00 -1.96 0.57 115.58 122.40 1f2x h ASN 872 Ca -0.12 -0.11 -0.10 0.00 -0.00 0.00 0.00 56.30 55.97 1f2x h ASN 872 Cb 1.04 -0.11 -0.01 0.00 -0.00 0.00 0.00 38.32 39.24 1f2x h ASN 872 CO 0.47 0.60 -0.41 0.00 -0.00 0.00 0.00 177.43 178.09 1f2x h ALA 873 N 1.44 1.18 -0.02 4.14 0.00 -1.96 -2.74 119.26 121.31 1f2x h ALA 873 Ca 0.06 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1f2x h ALA 873 Cb 0.54 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1f2x h ALA 873 CO 0.04 0.57 -0.35 1.63 0.00 0.00 0.00 179.25 181.13 1f2x n LYS 874 N -4.03 1.41 -3.80 0.00 5.02 -1.05 -4.97 118.16 110.74 1f2x n LYS 874 Ca -0.02 -1.13 -0.24 0.00 -2.02 0.00 0.00 58.31 54.90 1f2x n LYS 874 Cb 0.47 -1.48 0.02 0.00 -0.02 0.00 0.00 35.03 34.02 1f2x n LYS 874 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1f2x n ASN 875 N 0.19 -1.99 -4.12 4.39 5.15 0.12 -4.81 115.26 114.20 1f2x n ASN 875 Ca 0.11 -0.84 -0.20 0.00 -0.60 0.00 0.00 54.58 53.05 1f2x n ASN 875 Cb 0.48 -3.86 -0.14 0.00 -0.53 0.00 0.00 39.78 35.73 1f2x n ASN 875 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1f2x s THR 876 N -3.61 1.06 -0.10 -0.44 2.01 -0.74 -2.07 115.64 111.74 1f2x s THR 876 Ca 0.18 -0.84 0.01 0.00 0.31 0.00 0.00 61.69 61.35 1f2x s THR 876 Cb -0.09 -0.94 -0.02 0.00 0.01 0.00 0.00 72.50 71.46 1f2x s THR 876 CO 0.83 0.09 -0.13 -0.69 -0.69 0.00 0.00 174.62 174.03 1f2x s VAL 877 N -0.66 3.11 0.15 3.82 1.01 -0.19 -0.58 120.40 127.06 1f2x s VAL 877 Ca 0.02 -0.66 0.06 0.00 0.00 0.00 0.00 61.98 61.41 1f2x s VAL 877 Cb -0.07 -2.28 -0.04 0.00 0.00 0.00 0.00 36.38 33.99 1f2x s VAL 877 CO 0.01 0.55 0.01 -0.31 0.00 0.00 0.00 175.10 175.35 1f2x s TYR 878 N -0.03 2.91 -0.29 5.22 2.02 0.52 0.29 117.35 128.00 1f2x s TYR 878 Ca -0.03 -0.10 0.00 0.00 -0.37 0.00 0.00 57.07 56.57 1f2x s TYR 878 Cb -0.14 -1.43 0.09 0.00 -0.40 0.00 0.00 41.96 40.08 1f2x s TYR 878 CO 0.04 0.51 0.05 -1.17 -1.57 0.00 0.00 175.55 173.40 1f2x s LEU 879 N -2.80 2.75 -0.17 -1.29 2.96 0.15 -1.89 118.68 118.39 1f2x s LEU 879 Ca 0.27 -1.57 -0.24 0.00 -0.22 0.00 0.00 54.13 52.37 1f2x s LEU 879 Cb -0.10 -1.07 -0.02 0.00 0.50 0.00 0.00 46.19 45.50 1f2x s LEU 879 CO 0.19 -0.36 0.78 -1.58 -1.32 0.00 0.00 176.35 174.06 1f2x s GLN 880 N 1.44 4.28 -0.22 1.98 2.00 0.78 -0.31 119.66 129.61 1f2x s GLN 880 Ca 0.05 0.92 -0.00 0.00 -2.00 0.00 0.00 55.36 54.33 1f2x s GLN 880 Cb -0.18 -3.57 0.03 0.00 0.80 0.00 0.00 33.01 30.09 1f2x s GLN 880 CO -0.16 -0.29 -0.12 -1.64 -0.50 0.00 0.00 175.29 172.59 1f2x s MET 881 N 2.03 2.83 0.29 1.67 -1.94 -0.40 -0.52 119.30 123.26 1f2x s MET 881 Ca 0.36 -0.96 0.09 0.00 -1.71 0.00 0.00 55.69 53.47 1f2x s MET 881 Cb -0.16 -2.83 -0.04 0.00 2.01 0.00 0.00 34.83 33.80 1f2x s MET 881 CO 0.12 -0.35 0.05 -0.80 -0.01 0.00 0.00 175.02 174.03 1f2x s ASN 882 N 1.29 4.64 -1.21 3.03 0.01 0.26 -1.38 114.94 121.58 1f2x s ASN 882 Ca 0.01 -0.66 -0.34 0.00 -0.71 0.00 0.00 52.86 51.15 1f2x s ASN 882 Cb -0.16 -0.85 0.04 0.00 0.41 0.00 0.00 41.25 40.70 1f2x s ASN 882 CO -0.07 -0.09 0.69 -1.54 -1.51 0.00 0.00 177.10 174.58 1f2x n SER 883 N -0.98 -4.23 -4.76 -1.22 3.41 -1.10 -4.69 113.62 100.04 1f2x n SER 883 Ca -0.06 -1.29 -0.39 0.00 -0.26 0.00 0.00 58.87 56.88 1f2x n SER 883 Cb 0.60 -1.77 0.00 0.00 -0.26 0.00 0.00 64.21 62.78 1f2x n SER 883 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1f2x s LEU 884 N -7.40 4.08 0.23 1.04 1.43 -0.57 -4.67 118.68 112.83 1f2x s LEU 884 Ca 0.49 2.59 0.10 0.00 -1.03 0.00 0.00 54.13 56.29 1f2x s LEU 884 Cb -0.27 -4.07 -0.05 0.00 0.03 0.00 0.00 46.19 41.84 1f2x s LEU 884 CO 0.97 -1.03 -0.19 -0.54 0.23 0.00 0.00 176.35 175.79 1f2x s LYS 885 N -2.50 1.51 0.41 1.70 1.02 -1.26 -0.48 119.74 120.14 1f2x s LYS 885 Ca 0.62 -1.63 0.16 0.00 0.02 0.00 0.00 55.97 55.14 1f2x s LYS 885 Cb -0.36 -1.57 1.05 0.00 -0.52 0.00 0.00 37.83 36.43 1f2x s LYS 885 CO 0.45 0.30 1.86 -1.35 -0.92 0.00 0.00 175.35 175.69 1f2x h PRO 886 N 2.64 0.42 0.00 -1.68 0.11 -1.93 0.30 132.00 131.87 1f2x h PRO 886 Ca -0.41 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1f2x h PRO 886 Cb 1.23 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1f2x h PRO 886 CO 0.57 0.28 0.00 1.05 -0.21 0.00 0.00 178.00 179.69 1f2x h GLU 887 N 0.44 0.00 -0.00 1.05 4.11 -1.96 -1.83 114.58 116.39 1f2x h GLU 887 Ca 0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.89 1f2x h GLU 887 Cb 1.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.35 1f2x h GLU 887 CO -0.18 0.00 -0.01 -0.25 0.07 0.00 0.00 179.01 178.64 1f2x n ASP 888 N -2.33 0.02 -4.70 3.06 8.00 0.11 -4.86 116.55 115.84 1f2x n ASP 888 Ca 0.01 0.21 -0.43 0.00 0.71 0.00 0.00 54.79 55.28 1f2x n ASP 888 Cb 0.16 -0.39 -0.03 0.00 -0.02 0.00 0.00 41.12 40.83 1f2x n ASP 888 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1f2x n THR 889 N -1.40 0.23 0.00 -3.53 -1.04 -0.69 -4.90 114.28 102.95 1f2x n THR 889 Ca 0.10 -0.04 0.00 0.00 -2.04 0.00 0.00 64.05 62.07 1f2x n THR 889 Cb 0.30 -2.02 0.00 0.00 -1.82 0.00 0.00 70.33 66.79 1f2x n THR 889 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1f2x n ALA 890 N 4.97 0.00 -2.60 2.41 0.00 -0.57 -4.54 120.51 120.18 1f2x n ALA 890 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.24 1f2x n ALA 890 Cb 0.35 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.74 1f2x n ALA 890 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1f2x s ILE 891 N -2.00 5.09 -0.19 0.00 1.01 -0.58 -1.11 121.20 123.42 1f2x s ILE 891 Ca 0.00 0.93 -0.06 0.00 0.00 0.00 0.00 60.65 61.52 1f2x s ILE 891 Cb 0.00 -3.78 -0.03 0.00 0.01 0.00 0.00 42.46 38.65 1f2x s ILE 891 CO 0.00 0.44 0.03 -0.31 0.00 0.00 0.00 174.94 175.10 1f2x s TYR 892 N -0.15 3.11 -0.08 3.97 1.51 -0.18 -1.13 117.35 124.41 1f2x s TYR 892 Ca 0.25 -0.24 0.03 0.00 -1.01 0.00 0.00 57.07 56.11 1f2x s TYR 892 Cb -0.16 -2.08 -0.02 0.00 -0.11 0.00 0.00 41.96 39.59 1f2x s TYR 892 CO 0.12 -0.09 -0.18 0.71 -1.11 0.00 0.00 175.55 175.01 1f2x s TYR 893 N 0.77 2.65 0.19 2.71 2.02 -0.02 -0.80 117.35 124.87 1f2x s TYR 893 Ca 0.02 -0.52 -0.15 0.00 -0.37 0.00 0.00 57.07 56.05 1f2x s TYR 893 Cb -0.14 -1.69 -0.07 0.00 -0.40 0.00 0.00 41.96 39.66 1f2x s TYR 893 CO 0.02 -0.09 0.60 0.00 -1.57 0.00 0.00 175.55 174.51 1f2x s ALA 895 N -1.56 -0.70 -0.05 0.00 0.00 0.43 -1.18 121.76 118.71 1f2x s ALA 895 Ca 0.41 0.23 0.01 0.00 0.00 0.00 0.00 51.96 52.61 1f2x s ALA 895 Cb -0.14 0.09 0.02 0.00 0.00 0.00 0.00 23.12 23.09 1f2x s ALA 895 CO 0.20 -0.25 -0.05 0.20 0.00 0.00 0.00 175.76 175.85 1f2x s GLY 896 N -1.36 0.49 0.75 0.00 0.00 0.25 -1.34 107.32 106.11 1f2x s GLY 896 Ca -0.14 -0.11 -0.01 0.00 0.00 0.00 0.00 44.72 44.47 1f2x s GLY 896 CO 0.04 0.49 1.02 -1.35 0.00 0.00 0.00 173.10 173.30 1f2x s SER 897 N 1.02 4.20 -0.08 1.64 1.04 -0.33 -1.30 113.70 119.88 1f2x s SER 897 Ca -0.09 -0.46 0.15 0.00 0.48 0.00 0.00 55.95 56.02 1f2x s SER 897 Cb -0.14 0.17 0.49 0.00 0.10 0.00 0.00 66.02 66.64 1f2x s SER 897 CO -0.00 -1.98 1.41 0.35 0.98 0.00 0.00 173.24 174.00 1f2x n THR 898 N -2.90 1.60 -4.30 2.02 -2.24 -1.26 -4.62 114.28 102.58 1f2x n THR 898 Ca 0.16 -1.31 -0.33 0.00 -2.27 0.00 0.00 64.05 60.30 1f2x n THR 898 Cb 0.61 0.18 -0.09 0.00 -2.10 0.00 0.00 70.33 68.93 1f2x n THR 898 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1f2x s VAL 899 N -1.76 4.24 -0.20 2.28 1.01 -1.26 -5.01 120.40 119.71 1f2x s VAL 899 Ca 0.37 -0.49 0.12 0.00 0.00 0.00 0.00 61.98 61.98 1f2x s VAL 899 Cb 0.25 -2.87 0.41 0.00 0.00 0.00 0.00 36.38 34.16 1f2x s VAL 899 CO 0.17 0.44 1.21 0.00 0.00 0.00 0.00 175.10 176.92 1f2x n ALA 900 N 1.58 3.49 -2.64 5.51 0.00 -1.26 -0.89 120.51 126.29 1f2x n ALA 900 Ca -0.15 -3.21 -0.38 0.00 0.00 0.00 0.00 53.44 49.70 1f2x n ALA 900 Cb 0.53 -0.36 -0.09 0.00 0.00 0.00 0.00 19.45 19.53 1f2x n ALA 900 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1f2x s SER 901 N -3.16 6.24 0.16 0.00 0.15 -1.26 -4.96 113.70 110.86 1f2x s SER 901 Ca 0.37 0.27 -0.13 0.00 0.70 0.00 0.00 55.95 57.17 1f2x s SER 901 Cb 0.36 -2.17 0.04 0.00 -1.71 0.00 0.00 66.02 62.53 1f2x s SER 901 CO -0.06 -0.06 1.67 0.74 1.20 0.00 0.00 173.24 176.73 1f2x h THR 902 N 5.15 1.24 -0.21 6.45 2.02 -1.96 -1.01 112.91 124.59 1f2x h THR 902 Ca -0.35 -0.84 0.04 0.00 0.77 0.00 0.00 66.41 66.03 1f2x h THR 902 Cb 1.17 0.79 -0.04 0.00 -1.74 0.00 0.00 68.15 68.33 1f2x h THR 902 CO 0.66 0.31 -0.06 1.23 0.37 0.00 0.00 175.52 178.03 1f2x h GLY 903 N 0.73 0.14 1.00 2.16 0.00 -1.99 -0.65 103.07 104.46 1f2x h GLY 903 Ca 0.17 0.08 -0.03 0.00 0.00 0.00 0.00 47.33 47.55 1f2x h GLY 903 CO 0.00 -0.09 0.27 -0.25 0.00 0.00 0.00 176.54 176.47 1f2x h TRP 904 N -0.01 0.90 -0.41 5.60 7.01 -1.95 -2.79 115.95 124.30 1f2x h TRP 904 Ca 0.10 -0.06 -0.02 0.00 2.11 0.00 0.00 58.89 61.03 1f2x h TRP 904 Cb 0.17 -0.27 -0.02 0.00 -2.10 0.00 0.00 29.16 26.94 1f2x h TRP 904 CO -0.23 0.71 0.18 0.00 -2.79 0.00 0.00 178.44 176.30 1f2x h SER 906 N 0.57 0.00 0.63 0.00 4.64 -0.85 -2.69 113.55 115.86 1f2x h SER 906 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 1f2x h SER 906 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 1f2x h SER 906 CO -0.02 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.48 1f2x n ARG 907 N -2.71 0.17 -3.49 4.77 1.74 -0.97 -4.90 116.66 111.27 1f2x n ARG 907 Ca -0.00 0.43 -0.19 0.00 -0.77 0.00 0.00 57.85 57.31 1f2x n ARG 907 Cb 0.18 -1.84 0.06 0.00 -1.02 0.00 0.00 32.46 29.85 1f2x n ARG 907 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 1f2x n LEU 908 N -2.16 -4.05 -3.13 0.55 7.94 -1.02 -4.95 117.00 110.18 1f2x n LEU 908 Ca 0.02 -0.74 -0.24 0.00 -1.11 0.00 0.00 56.01 53.93 1f2x n LEU 908 Cb 0.20 -2.94 -0.05 0.00 0.53 0.00 0.00 43.42 41.17 1f2x n LEU 908 CO 0.18 0.33 -0.01 0.54 -1.11 0.00 0.00 177.39 177.32 1f2x n ARG 909 N -3.95 2.26 0.08 1.96 1.74 -1.26 -4.42 116.66 113.07 1f2x n ARG 909 Ca -0.22 -4.28 0.09 0.00 -0.77 0.00 0.00 57.85 52.67 1f2x n ARG 909 Cb 0.65 -2.00 0.39 0.00 -1.02 0.00 0.00 32.46 30.49 1f2x n ARG 909 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 1f2x n PRO 910 N 0.29 0.10 0.00 5.56 -0.02 -1.26 -1.66 135.00 138.01 1f2x n PRO 910 Ca 0.28 0.39 0.11 0.00 -2.02 0.00 0.00 63.50 62.26 1f2x n PRO 910 Cb 0.48 -1.72 0.49 0.00 -0.02 0.00 0.00 33.50 32.73 1f2x n PRO 910 CO 0.00 0.00 0.00 2.48 1.98 0.00 0.00 175.50 179.96 1f2x n TYR 911 N -1.92 0.00 1.11 6.00 0.18 -1.26 -2.25 117.16 119.02 1f2x n TYR 911 Ca 0.02 0.00 0.12 0.00 1.88 0.00 0.00 57.90 59.92 1f2x n TYR 911 Cb 0.17 -0.43 0.18 0.00 -0.38 0.00 0.00 39.34 38.87 1f2x n TYR 911 CO 0.00 0.00 0.00 -0.25 -2.08 0.00 0.00 176.86 174.53 1f2x n ASP 912 N -1.43 2.35 -4.81 9.48 10.43 -0.66 -4.98 116.55 126.93 1f2x n ASP 912 Ca 0.07 -1.71 -0.34 0.00 2.57 0.00 0.00 54.79 55.38 1f2x n ASP 912 Cb 0.23 0.12 -0.05 0.00 1.84 0.00 0.00 41.12 43.25 1f2x n ASP 912 CO 0.00 0.00 0.00 -0.31 -1.07 0.00 0.00 177.20 175.82 1f2x s TYR 913 N -2.14 3.15 0.12 1.24 2.02 -0.96 -5.00 117.35 115.78 1f2x s TYR 913 Ca 0.27 1.60 -0.30 0.00 -0.37 0.00 0.00 57.07 58.27 1f2x s TYR 913 Cb 0.20 -2.97 -0.09 0.00 -0.40 0.00 0.00 41.96 38.70 1f2x s TYR 913 CO 0.38 -0.48 1.59 1.25 -1.57 0.00 0.00 175.55 176.72 1f2x h HIS 914 N 1.77 -1.13 -2.89 2.71 2.76 -1.89 -3.42 115.15 113.05 1f2x h HIS 914 Ca -0.49 0.03 -0.63 0.00 -2.20 0.00 0.00 60.37 57.08 1f2x h HIS 914 Cb 1.20 0.49 -0.06 0.00 1.55 0.00 0.00 27.41 30.59 1f2x h HIS 914 CO 0.59 -0.49 -0.32 0.71 -1.30 0.00 0.00 177.93 177.11 1f2x s TYR 915 N -5.92 3.66 -0.05 5.26 1.51 -0.42 -4.98 117.35 116.40 1f2x s TYR 915 Ca -0.16 0.78 -0.04 0.00 -1.01 0.00 0.00 57.07 56.64 1f2x s TYR 915 Cb 0.08 -2.15 0.02 0.00 -0.11 0.00 0.00 41.96 39.79 1f2x s TYR 915 CO 0.64 0.65 0.13 0.50 -1.11 0.00 0.00 175.55 176.35 1f2x s ARG 916 N -0.94 0.12 0.45 -0.62 3.52 -1.26 -0.58 118.95 119.65 1f2x s ARG 916 Ca 0.20 0.22 -0.08 0.00 -0.13 0.00 0.00 55.73 55.94 1f2x s ARG 916 Cb -0.15 -0.00 0.10 0.00 -1.56 0.00 0.00 34.95 33.35 1f2x s ARG 916 CO 0.09 -0.06 0.59 0.41 -0.81 0.00 0.00 175.30 175.52 1f2x n GLY 917 N 3.34 -1.42 0.09 8.12 0.00 -0.32 -4.83 105.19 110.17 1f2x n GLY 917 Ca -0.16 -1.67 0.12 0.00 0.00 0.00 0.00 46.02 44.31 1f2x n GLY 917 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1f2x h GLN 918 N 0.00 0.00 0.00 1.61 1.08 -1.91 -3.45 115.11 112.44 1f2x h GLN 918 Ca -0.19 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.01 1f2x h GLN 918 Cb 0.54 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.97 1f2x h GLN 918 CO 0.14 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.43 1f2x n GLY 919 N 1.30 0.19 2.88 3.46 0.00 -1.26 -5.00 105.19 106.76 1f2x n GLY 919 Ca 0.04 -1.62 -0.15 0.00 0.00 0.00 0.00 46.02 44.29 1f2x n GLY 919 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1f2x s THR 920 N -2.89 0.20 0.17 2.61 -1.32 0.02 -4.90 115.64 109.52 1f2x s THR 920 Ca 0.00 -0.04 -0.30 0.00 -1.21 0.00 0.00 61.69 60.14 1f2x s THR 920 Cb 0.00 -0.21 -0.07 0.00 -1.51 0.00 0.00 72.50 70.71 1f2x s THR 920 CO 0.00 0.09 1.02 -1.58 -2.21 0.00 0.00 174.62 171.94 1f2x s GLN 921 N 0.31 4.68 -0.21 7.08 2.00 -1.26 -1.01 119.66 131.25 1f2x s GLN 921 Ca -0.03 1.58 0.01 0.00 -2.00 0.00 0.00 55.36 54.93 1f2x s GLN 921 Cb -0.05 -3.31 0.05 0.00 0.80 0.00 0.00 33.01 30.49 1f2x s GLN 921 CO -0.01 0.21 -0.11 0.08 -0.50 0.00 0.00 175.29 174.96 1f2x s VAL 922 N -0.34 1.82 -0.16 1.34 1.01 -0.27 -1.79 120.40 122.01 1f2x s VAL 922 Ca 0.47 -1.18 0.00 0.00 0.00 0.00 0.00 61.98 61.28 1f2x s VAL 922 Cb -0.27 -1.88 0.01 0.00 0.00 0.00 0.00 36.38 34.24 1f2x s VAL 922 CO 0.33 0.14 -0.17 -0.89 0.00 0.00 0.00 175.10 174.51 1f2x s THR 923 N 1.31 2.46 -0.22 3.92 2.01 0.12 -1.52 115.64 123.72 1f2x s THR 923 Ca -0.03 -0.83 -0.04 0.00 0.31 0.00 0.00 61.69 61.10 1f2x s THR 923 Cb -0.17 -2.04 -0.01 0.00 0.01 0.00 0.00 72.50 70.29 1f2x s THR 923 CO -0.08 0.52 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.65 1f2x s VAL 924 N 1.00 3.53 -0.11 3.82 1.01 -1.26 -0.89 120.40 127.51 1f2x s VAL 924 Ca -0.02 -0.44 -0.02 0.00 0.00 0.00 0.00 61.98 61.50 1f2x s VAL 924 Cb -0.15 -2.61 -0.03 0.00 0.00 0.00 0.00 36.38 33.59 1f2x s VAL 924 CO -0.04 0.42 -0.03 -0.94 0.00 0.00 0.00 175.10 174.51 1f2x s SER 925 N 1.41 4.93 0.00 3.32 1.04 -0.00 -4.45 113.70 119.96 1f2x s SER 925 Ca 0.05 -0.00 0.17 0.00 0.48 0.00 0.00 55.95 56.65 1f2x s SER 925 Cb -0.14 -1.52 1.02 0.00 0.10 0.00 0.00 66.02 65.48 1f2x s SER 925 CO -0.02 0.29 1.43 -0.24 0.98 0.00 0.00 173.24 175.68