#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hkv n ASN 819 N 0.00 2.50 -4.59 1.20 0.23 -1.26 -4.91 115.26 108.43 3hkv n ASN 819 Ca 0.00 -1.73 -0.34 0.00 -0.53 0.00 0.00 54.58 51.98 3hkv n ASN 819 Cb 0.00 -0.04 -0.11 0.00 -2.08 0.00 0.00 39.78 37.55 3hkv n ASN 819 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 3hkv s LEU 820 N -1.34 3.47 -0.14 -4.53 1.43 -1.26 -0.71 118.68 115.59 3hkv s LEU 820 Ca 0.21 0.01 -0.00 0.00 -1.03 0.00 0.00 54.13 53.32 3hkv s LEU 820 Cb 0.14 -1.83 0.03 0.00 0.03 0.00 0.00 46.19 44.57 3hkv s LEU 820 CO 0.21 0.25 -0.07 -0.70 0.23 0.00 0.00 176.35 176.27 3hkv s GLU 821 N -0.11 1.51 0.33 1.70 2.12 -0.50 -4.97 118.70 118.77 3hkv s GLU 821 Ca 0.04 -0.41 -0.29 0.00 0.36 0.00 0.00 54.97 54.66 3hkv s GLU 821 Cb -0.13 -1.85 -0.11 0.00 0.26 0.00 0.00 34.13 32.31 3hkv s GLU 821 CO 0.02 -0.36 1.52 0.50 -0.54 0.00 0.00 175.26 176.41 3hkv s ARG 822 N 1.66 4.14 0.07 4.30 3.52 -1.26 -0.61 118.95 130.76 3hkv s ARG 822 Ca 0.03 2.54 0.01 0.00 -0.13 0.00 0.00 55.73 58.17 3hkv s ARG 822 Cb -0.14 -3.01 -0.04 0.00 -1.56 0.00 0.00 34.95 30.20 3hkv s ARG 822 CO -0.08 -0.55 0.17 -0.51 -0.81 0.00 0.00 175.30 173.52 3hkv s LEU 823 N -1.22 4.18 0.12 -0.88 1.43 -0.56 -4.86 118.68 116.89 3hkv s LEU 823 Ca 0.58 0.18 -0.30 0.00 -1.03 0.00 0.00 54.13 53.56 3hkv s LEU 823 Cb -0.46 -2.81 -0.06 0.00 0.03 0.00 0.00 46.19 42.89 3hkv s LEU 823 CO 0.54 0.17 0.94 0.00 0.23 0.00 0.00 176.35 178.23 3hkv s ALA 824 N -1.47 3.27 0.47 4.21 0.00 -1.26 -4.74 121.76 122.24 3hkv s ALA 824 Ca 0.33 0.56 0.27 0.00 0.00 0.00 0.00 51.96 53.12 3hkv s ALA 824 Cb -0.13 -3.24 1.33 0.00 0.00 0.00 0.00 23.12 21.08 3hkv s ALA 824 CO 0.26 0.02 1.78 0.93 0.00 0.00 0.00 175.76 178.75 3hkv h GLU 825 N 5.37 0.19 -1.19 0.00 3.07 -1.98 -1.32 114.58 118.72 3hkv h GLU 825 Ca -0.43 -0.01 0.35 0.00 -0.50 0.00 0.00 59.36 58.76 3hkv h GLU 825 Cb 1.21 -0.04 -0.05 0.00 -0.84 0.00 0.00 28.75 29.03 3hkv h GLU 825 CO 0.71 0.13 0.98 -0.97 -1.40 0.00 0.00 179.01 178.45 3hkv h ASN 826 N 0.20 0.00 -2.87 1.42 -1.24 -2.00 -3.42 115.58 107.65 3hkv h ASN 826 Ca 0.58 0.00 -0.52 0.00 0.71 0.00 0.00 56.30 57.07 3hkv h ASN 826 Cb 1.88 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 40.92 3hkv h ASN 826 CO -0.17 0.00 -0.29 0.42 -1.29 0.00 0.00 177.43 176.11 3hkv s THR 827 N -4.77 5.16 0.20 -3.57 -4.23 -0.50 -5.00 115.64 102.93 3hkv s THR 827 Ca -0.04 -0.32 -0.11 0.00 -1.18 0.00 0.00 61.69 60.03 3hkv s THR 827 Cb 0.21 -3.75 0.12 0.00 1.34 0.00 0.00 72.50 70.41 3hkv s THR 827 CO 0.71 -0.25 1.79 1.23 -0.54 0.00 0.00 174.62 177.56 3hkv h GLY 828 N 1.76 0.86 0.52 3.99 0.00 -1.90 -2.10 103.07 106.21 3hkv h GLY 828 Ca -0.48 -0.21 0.02 0.00 0.00 0.00 0.00 47.33 46.66 3hkv h GLY 828 CO 0.67 0.12 -0.22 -2.09 0.00 0.00 0.00 176.54 175.01 3hkv h GLU 829 N 0.58 -0.36 -0.52 4.80 4.81 -1.94 -0.45 114.58 121.51 3hkv h GLU 829 Ca 0.27 0.02 0.08 0.00 -0.13 0.00 0.00 59.36 59.60 3hkv h GLU 829 Cb 0.19 0.08 -0.06 0.00 0.63 0.00 0.00 28.75 29.59 3hkv h GLU 829 CO -0.19 -0.24 0.17 0.35 -0.73 0.00 0.00 179.01 178.37 3hkv h PHE 830 N -0.38 0.30 -0.37 0.92 3.04 -1.76 -1.91 116.94 116.78 3hkv h PHE 830 Ca 0.05 0.03 -0.16 0.00 3.98 0.00 0.00 57.97 61.86 3hkv h PHE 830 Cb 0.44 -0.06 -0.01 0.00 2.56 0.00 0.00 35.95 38.89 3hkv h PHE 830 CO -0.25 0.08 -0.40 1.96 -2.02 0.00 0.00 178.31 177.68 3hkv h GLN 831 N 0.34 0.93 -0.43 1.11 1.08 -0.92 -0.67 115.11 116.55 3hkv h GLN 831 Ca 0.25 -0.50 -0.13 0.00 -1.45 0.00 0.00 58.65 56.82 3hkv h GLN 831 Cb 0.29 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.73 3hkv h GLN 831 CO -0.27 1.15 -0.24 1.05 -0.95 0.00 0.00 178.83 179.58 3hkv h GLU 832 N 0.74 0.89 -0.36 1.46 4.11 -0.87 0.97 114.58 121.52 3hkv h GLU 832 Ca 0.06 -0.38 -0.03 0.00 0.07 0.00 0.00 59.36 59.07 3hkv h GLU 832 Cb 1.00 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.20 3hkv h GLU 832 CO 0.10 1.03 0.09 0.28 0.07 0.00 0.00 179.01 180.58 3hkv h VAL 833 N 0.77 1.22 -0.22 -1.06 2.07 -1.20 -1.99 116.25 115.84 3hkv h VAL 833 Ca 0.10 -0.75 -0.16 0.00 0.82 0.00 0.00 66.70 66.71 3hkv h VAL 833 Cb 0.79 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 3hkv h VAL 833 CO 0.07 0.26 -0.52 0.58 0.02 0.00 0.00 177.57 177.97 3hkv h VAL 834 N 0.44 1.31 0.03 2.57 2.07 -1.08 -2.37 116.25 119.21 3hkv h VAL 834 Ca 0.12 -1.75 0.01 0.00 0.82 0.00 0.00 66.70 65.90 3hkv h VAL 834 Cb 0.29 1.70 -0.02 0.00 -1.52 0.00 0.00 31.29 31.75 3hkv h VAL 834 CO 0.00 0.55 -0.11 -0.09 0.02 0.00 0.00 177.57 177.93 3hkv h ARG 835 N 0.48 -0.20 -0.64 1.57 2.43 -0.65 -0.98 114.38 116.38 3hkv h ARG 835 Ca 0.02 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.17 3hkv h ARG 835 Cb 1.07 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.64 3hkv h ARG 835 CO 0.10 -0.14 0.27 0.00 -1.51 0.00 0.00 179.97 178.70 3hkv h ALA 836 N 0.72 0.83 0.29 2.80 0.00 -1.36 0.26 119.26 122.81 3hkv h ALA 836 Ca 0.03 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3hkv h ALA 836 Cb 0.25 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3hkv h ALA 836 CO -0.09 0.44 -0.30 0.35 0.00 0.00 0.00 179.25 179.65 3hkv h PHE 837 N 0.90 -0.80 -0.63 0.00 3.57 -1.27 -2.48 116.94 116.24 3hkv h PHE 837 Ca 0.22 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.67 3hkv h PHE 837 Cb 0.18 0.31 -0.03 0.00 2.79 0.00 0.00 35.95 39.21 3hkv h PHE 837 CO 0.01 -0.43 0.18 1.88 -2.23 0.00 0.00 178.31 177.72 3hkv h TYR 838 N -0.62 0.99 0.00 0.41 0.05 -0.91 -2.36 116.97 114.52 3hkv h TYR 838 Ca -0.01 -0.09 0.00 0.00 0.05 0.00 0.00 58.73 58.68 3hkv h TYR 838 Cb 0.57 -0.29 0.00 0.00 1.01 0.00 0.00 36.73 38.02 3hkv h TYR 838 CO -0.19 0.80 0.00 -0.44 -1.05 0.00 0.00 178.16 177.29 3hkv h ASP 839 N 0.93 0.00 -0.12 3.88 3.32 -0.08 -1.75 116.42 122.61 3hkv h ASP 839 Ca 0.20 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.25 3hkv h ASP 839 Cb 0.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.84 3hkv h ASP 839 CO -0.01 0.00 0.00 0.35 -1.72 0.00 0.00 179.24 177.86 3hkv n THR 840 N -2.38 1.44 0.28 0.35 -2.24 -0.91 -4.67 114.28 106.14 3hkv n THR 840 Ca -0.00 -1.47 0.15 0.00 -2.27 0.00 0.00 64.05 60.46 3hkv n THR 840 Cb 0.12 0.19 0.47 0.00 -2.10 0.00 0.00 70.33 69.01 3hkv n THR 840 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3hkv h LEU 841 N 0.75 0.00 0.00 3.22 3.38 -1.06 -2.45 115.31 119.16 3hkv h LEU 841 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hkv h LEU 841 Cb 0.84 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.59 3hkv h LEU 841 CO 0.04 0.00 0.00 0.47 0.09 0.00 0.00 178.44 179.04 3hkv n ASP 842 N -3.00 0.00 -0.33 -0.43 8.00 -1.26 -1.59 116.55 117.94 3hkv n ASP 842 Ca 0.02 0.00 0.03 0.00 0.71 0.00 0.00 54.79 55.56 3hkv n ASP 842 Cb 0.39 0.00 0.18 0.00 -0.02 0.00 0.00 41.12 41.67 3hkv n ASP 842 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hkv h ALA 843 N -0.74 1.31 0.00 2.24 0.00 -1.97 -2.86 119.26 117.24 3hkv h ALA 843 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3hkv h ALA 843 Cb 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.58 3hkv h ALA 843 CO 0.00 0.24 0.00 0.00 0.00 0.00 0.00 179.25 179.49 3hkv n ALA 844 N -2.36 2.14 0.09 0.00 0.00 -0.62 -4.18 120.51 115.58 3hkv n ALA 844 Ca 0.15 -0.10 0.04 0.00 0.00 0.00 0.00 53.44 53.53 3hkv n ALA 844 Cb 0.26 -1.37 0.46 0.00 0.00 0.00 0.00 19.45 18.79 3hkv n ALA 844 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3hkv h ARG 845 N 0.00 0.35 0.00 0.00 2.43 -1.57 -2.16 114.38 113.42 3hkv h ARG 845 Ca 0.00 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3hkv h ARG 845 Cb 0.24 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 3hkv h ARG 845 CO 0.00 0.29 -0.14 0.66 -1.51 0.00 0.00 179.97 179.27 3hkv h SER 846 N 0.35 0.00 -0.04 -3.80 4.64 -1.83 -3.33 113.55 109.53 3hkv h SER 846 Ca 0.09 -0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.38 3hkv h SER 846 Cb 0.08 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.17 3hkv h SER 846 CO -0.01 0.01 -0.14 -1.54 -0.87 0.00 0.00 176.83 174.28 3hkv n SER 847 N -2.64 2.32 -3.96 4.97 3.41 -0.82 -4.85 113.62 112.04 3hkv n SER 847 Ca 0.04 -3.35 -0.21 0.00 -0.26 0.00 0.00 58.87 55.09 3hkv n SER 847 Cb 0.48 -0.48 -0.16 0.00 -0.26 0.00 0.00 64.21 63.79 3hkv n SER 847 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3hkv s ILE 848 N -3.00 0.77 -0.05 -1.33 -1.09 -1.16 -1.27 121.20 114.06 3hkv s ILE 848 Ca 0.35 -0.28 0.05 0.00 -2.23 0.00 0.00 60.65 58.54 3hkv s ILE 848 Cb 0.32 -0.73 -0.01 0.00 -1.58 0.00 0.00 42.46 40.46 3hkv s ILE 848 CO 0.01 0.27 -0.21 -0.60 -1.23 0.00 0.00 174.94 173.17 3hkv s ARG 849 N 0.67 2.21 -0.01 2.79 3.52 0.99 -4.89 118.95 124.23 3hkv s ARG 849 Ca -0.11 -0.75 -0.30 0.00 -0.13 0.00 0.00 55.73 54.44 3hkv s ARG 849 Cb -0.14 -1.87 -0.04 0.00 -1.56 0.00 0.00 34.95 31.35 3hkv s ARG 849 CO 0.01 0.29 1.12 0.08 -0.81 0.00 0.00 175.30 176.00 3hkv s VAL 850 N 0.00 4.40 -0.22 7.11 1.01 -1.26 0.02 120.40 131.46 3hkv s VAL 850 Ca -0.05 1.71 -0.20 0.00 0.00 0.00 0.00 61.98 63.44 3hkv s VAL 850 Cb -0.13 -4.10 -0.18 0.00 0.00 0.00 0.00 36.38 31.97 3hkv s VAL 850 CO 0.03 0.08 0.13 0.52 0.00 0.00 0.00 175.10 175.86 3hkv n VAL 851 N 4.21 1.53 -3.57 2.92 0.31 0.11 -4.94 118.33 118.90 3hkv n VAL 851 Ca 0.09 -0.08 -0.10 0.00 -0.01 0.00 0.00 64.34 64.24 3hkv n VAL 851 Cb 0.48 -2.02 -0.02 0.00 -0.91 0.00 0.00 33.84 31.37 3hkv n VAL 851 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3hkv s ARG 852 N -2.38 1.44 -0.12 5.55 1.70 -0.96 -5.02 118.95 119.16 3hkv s ARG 852 Ca -0.30 -0.64 -0.00 0.00 -0.47 0.00 0.00 55.73 54.31 3hkv s ARG 852 Cb 0.07 0.59 0.02 0.00 -0.57 0.00 0.00 34.95 35.07 3hkv s ARG 852 CO 0.57 -0.64 -0.09 0.08 -1.08 0.00 0.00 175.30 174.14 3hkv s VAL 853 N -3.79 1.14 -0.15 4.99 1.01 -1.26 -0.47 120.40 121.88 3hkv s VAL 853 Ca 0.05 -0.37 -0.04 0.00 0.00 0.00 0.00 61.98 61.62 3hkv s VAL 853 Cb -0.03 -1.13 -0.03 0.00 0.00 0.00 0.00 36.38 35.20 3hkv s VAL 853 CO -0.06 0.38 -0.02 -1.61 0.00 0.00 0.00 175.10 173.80 3hkv s GLU 854 N 1.58 3.59 0.28 2.72 2.02 -0.04 -1.50 118.70 127.35 3hkv s GLU 854 Ca 0.03 -0.48 -0.29 0.00 0.02 0.00 0.00 54.97 54.25 3hkv s GLU 854 Cb -0.13 -2.93 -0.10 0.00 0.10 0.00 0.00 34.13 31.07 3hkv s GLU 854 CO -0.08 0.33 1.35 0.50 0.02 0.00 0.00 175.26 177.38 3hkv s ARG 855 N 0.13 4.34 -0.12 1.61 3.52 0.22 -0.63 118.95 128.01 3hkv s ARG 855 Ca 0.00 2.21 -0.06 0.00 -0.13 0.00 0.00 55.73 57.75 3hkv s ARG 855 Cb -0.13 -3.11 -0.04 0.00 -1.56 0.00 0.00 34.95 30.11 3hkv s ARG 855 CO 0.02 -0.27 0.11 0.08 -0.81 0.00 0.00 175.30 174.43 3hkv s VAL 856 N -0.56 5.21 -0.07 7.11 1.01 0.58 -1.42 120.40 132.25 3hkv s VAL 856 Ca 0.53 0.10 0.02 0.00 0.00 0.00 0.00 61.98 62.63 3hkv s VAL 856 Cb -0.40 -3.27 0.01 0.00 0.00 0.00 0.00 36.38 32.73 3hkv s VAL 856 CO 0.47 0.59 -0.13 -0.55 0.00 0.00 0.00 175.10 175.49 3hkv s SER 857 N -0.80 1.91 -0.41 3.32 0.15 0.11 -4.74 113.70 113.25 3hkv s SER 857 Ca 0.13 -0.32 0.04 0.00 0.70 0.00 0.00 55.95 56.51 3hkv s SER 857 Cb -0.12 -0.87 0.17 0.00 -1.71 0.00 0.00 66.02 63.49 3hkv s SER 857 CO 0.03 0.03 0.45 -2.28 1.20 0.00 0.00 173.24 172.67 3hkv s HIS 858 N 0.75 -0.41 0.21 3.44 2.46 -1.26 -4.74 115.29 115.73 3hkv s HIS 858 Ca -0.13 -0.95 -0.09 0.00 0.47 0.00 0.00 55.06 54.36 3hkv s HIS 858 Cb -0.16 -0.30 0.26 0.00 -0.13 0.00 0.00 32.58 32.25 3hkv s HIS 858 CO 0.03 -1.02 1.78 -1.35 -2.47 0.00 0.00 174.74 171.70 3hkv h PRO 859 N 6.45 0.52 0.45 2.88 0.11 -1.98 0.63 132.00 141.06 3hkv h PRO 859 Ca 0.09 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.15 3hkv h PRO 859 Cb 1.05 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.05 3hkv h PRO 859 CO 0.19 0.35 -0.22 1.25 -0.21 0.00 0.00 178.00 179.36 3hkv h LEU 860 N 0.54 -0.51 -0.50 2.35 5.85 -1.99 -1.82 115.31 119.23 3hkv h LEU 860 Ca 0.30 -0.01 0.05 0.00 0.84 0.00 0.00 57.88 59.06 3hkv h LEU 860 Cb 0.28 0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.40 3hkv h LEU 860 CO -0.24 -0.33 0.24 0.25 -0.34 0.00 0.00 178.44 178.02 3hkv h LEU 861 N -0.65 0.32 -0.64 2.25 5.85 -1.89 -0.07 115.31 120.48 3hkv h LEU 861 Ca -0.06 0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.76 3hkv h LEU 861 Cb 0.49 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.44 3hkv h LEU 861 CO 0.10 0.22 0.34 -0.61 -0.34 0.00 0.00 178.44 178.15 3hkv h GLN 862 N 0.46 0.61 -0.38 1.25 4.15 -0.79 0.16 115.11 120.57 3hkv h GLN 862 Ca 0.23 -0.04 -0.12 0.00 0.77 0.00 0.00 58.65 59.49 3hkv h GLN 862 Cb 0.17 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.71 3hkv h GLN 862 CO -0.18 0.40 -0.24 1.96 -1.93 0.00 0.00 178.83 178.84 3hkv h GLN 863 N 0.63 0.76 -0.70 1.69 4.20 -0.53 -1.28 115.11 119.89 3hkv h GLN 863 Ca 0.29 -0.32 -0.07 0.00 0.06 0.00 0.00 58.65 58.61 3hkv h GLN 863 Cb 0.21 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.93 3hkv h GLN 863 CO -0.19 0.93 0.16 1.96 -0.67 0.00 0.00 178.83 181.02 3hkv h GLN 864 N 0.66 1.12 -0.42 1.46 4.20 -0.40 -2.52 115.11 119.21 3hkv h GLN 864 Ca 0.09 -0.27 -0.00 0.00 0.06 0.00 0.00 58.65 58.52 3hkv h GLN 864 Cb 0.76 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.37 3hkv h GLN 864 CO 0.06 0.99 0.25 -0.92 -0.67 0.00 0.00 178.83 178.55 3hkv h TYR 865 N 1.06 0.56 -0.25 2.96 3.20 -0.54 -2.07 116.97 121.89 3hkv h TYR 865 Ca 0.22 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 62.02 3hkv h TYR 865 Cb 0.39 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.46 3hkv h TYR 865 CO 0.03 0.40 -0.11 0.93 -1.64 0.00 0.00 178.16 177.76 3hkv h GLU 866 N 0.55 0.41 -0.34 1.82 5.08 -1.12 0.31 114.58 121.28 3hkv h GLU 866 Ca 0.15 -0.11 -0.05 0.00 -1.00 0.00 0.00 59.36 58.36 3hkv h GLU 866 Cb 0.01 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 3hkv h GLU 866 CO -0.03 0.53 0.03 -0.07 -1.00 0.00 0.00 179.01 178.47 3hkv h LEU 867 N 0.38 0.57 -0.80 1.33 3.38 -1.26 -1.00 115.31 117.92 3hkv h LEU 867 Ca 0.07 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 3hkv h LEU 867 Cb 0.44 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 3hkv h LEU 867 CO 0.02 0.71 0.44 0.22 0.09 0.00 0.00 178.44 179.93 3hkv h TYR 868 N 0.41 1.09 -0.02 1.13 -0.00 -0.56 -1.75 116.97 117.27 3hkv h TYR 868 Ca 0.10 -0.02 -0.00 0.00 -0.00 0.00 0.00 58.73 58.81 3hkv h TYR 868 Cb 0.40 -0.35 -0.00 0.00 -0.00 0.00 0.00 36.73 36.78 3hkv h TYR 868 CO 0.03 0.75 0.01 -0.09 -0.00 0.00 0.00 178.16 178.87 3hkv h ARG 869 N 1.10 0.03 -0.68 1.82 2.43 -0.27 -1.41 114.38 117.39 3hkv h ARG 869 Ca 0.28 -0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.41 3hkv h ARG 869 Cb 0.02 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.53 3hkv h ARG 869 CO -0.05 0.10 0.28 0.93 -1.51 0.00 0.00 179.97 179.72 3hkv h GLU 870 N -0.04 0.99 -0.50 0.20 4.39 -1.03 -0.31 114.58 118.29 3hkv h GLU 870 Ca 0.01 -0.16 -0.02 0.00 0.34 0.00 0.00 59.36 59.53 3hkv h GLU 870 Cb 0.08 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.53 3hkv h GLU 870 CO -0.00 0.80 0.24 -0.09 -1.16 0.00 0.00 179.01 178.79 3hkv h ARG 871 N 0.97 0.72 -0.51 2.33 9.65 -1.04 -1.08 114.38 125.42 3hkv h ARG 871 Ca 0.23 -0.11 -0.06 0.00 -1.10 0.00 0.00 59.98 58.94 3hkv h ARG 871 Cb 0.17 -0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 28.60 3hkv h ARG 871 CO -0.02 0.61 0.08 -0.07 2.80 0.00 0.00 179.97 183.37 3hkv h LEU 872 N 0.66 0.81 -1.00 3.80 3.38 -0.95 0.54 115.31 122.54 3hkv h LEU 872 Ca 0.17 -0.26 0.03 0.00 0.09 0.00 0.00 57.88 57.91 3hkv h LEU 872 Cb 0.13 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.61 3hkv h LEU 872 CO -0.02 0.87 0.66 -0.07 0.09 0.00 0.00 178.44 179.96 3hkv h LEU 873 N 0.73 1.12 -0.56 1.67 3.38 -0.89 0.18 115.31 120.93 3hkv h LEU 873 Ca 0.16 -0.02 -0.14 0.00 0.09 0.00 0.00 57.88 57.97 3hkv h LEU 873 Cb 0.40 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 3hkv h LEU 873 CO 0.01 0.78 -0.34 1.56 0.09 0.00 0.00 178.44 180.54 3hkv h GLN 874 N 1.30 0.78 0.18 1.13 4.20 -0.75 -3.32 115.11 118.63 3hkv h GLN 874 Ca 0.39 -0.38 -0.28 0.00 0.06 0.00 0.00 58.65 58.44 3hkv h GLN 874 Cb -0.06 -0.00 0.02 0.00 0.30 0.00 0.00 27.48 27.73 3hkv h GLN 874 CO -0.11 1.00 -1.30 -0.09 -0.67 0.00 0.00 178.83 177.67 3hkv h ARG 875 N 0.66 0.37 -6.28 1.46 2.43 -0.41 -3.46 114.38 109.15 3hkv h ARG 875 Ca 0.07 -0.64 -0.55 0.00 -0.81 0.00 0.00 59.98 58.06 3hkv h ARG 875 Cb 0.88 0.24 -0.04 0.00 -0.42 0.00 0.00 29.97 30.63 3hkv h ARG 875 CO 0.08 1.30 0.14 0.00 -1.51 0.00 0.00 179.97 179.98 3hkv h GLU 877 N 5.64 0.00 -6.99 0.00 4.22 -1.87 -3.46 114.58 112.12 3hkv h GLU 877 Ca -0.44 0.00 -0.49 0.00 0.08 0.00 0.00 59.36 58.51 3hkv h GLU 877 Cb 1.20 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.46 3hkv h GLU 877 CO 0.71 0.52 0.22 1.03 -2.18 0.00 0.00 179.01 179.31 3hkv s ARG 878 N -2.78 3.85 0.03 1.92 0.52 -1.26 -5.10 118.95 116.14 3hkv s ARG 878 Ca -0.02 0.68 0.02 0.00 -0.52 0.00 0.00 55.73 55.89 3hkv s ARG 878 Cb 0.09 -2.29 -0.02 0.00 0.52 0.00 0.00 34.95 33.25 3hkv s ARG 878 CO 0.81 -0.13 -0.08 1.03 0.02 0.00 0.00 175.30 176.95 3hkv s ARG 879 N -3.92 0.55 0.50 3.54 1.81 -1.26 -4.49 118.95 115.68 3hkv s ARG 879 Ca 0.54 -0.65 -0.09 0.00 -1.72 0.00 0.00 55.73 53.81 3hkv s ARG 879 Cb -0.10 -0.40 -0.05 0.00 -0.45 0.00 0.00 34.95 33.95 3hkv s ARG 879 CO 0.31 0.08 0.86 -1.25 -0.68 0.00 0.00 175.30 174.63 3hkv s PRO 880 N -1.25 3.67 0.12 3.54 0.04 -1.26 -5.11 135.00 134.74 3hkv s PRO 880 Ca -0.06 0.50 0.22 0.00 0.04 0.00 0.00 61.00 61.70 3hkv s PRO 880 Cb -0.08 -2.28 -0.12 0.00 0.04 0.00 0.00 34.50 32.06 3hkv s PRO 880 CO 0.00 -0.25 0.84 0.28 0.04 0.00 0.00 177.00 177.91 3hkv n VAL 881 N -2.03 0.39 -4.72 -0.36 0.31 -1.26 -4.71 118.33 105.95 3hkv n VAL 881 Ca 0.03 -0.53 -0.23 0.00 -0.01 0.00 0.00 64.34 63.60 3hkv n VAL 881 Cb 0.54 -0.21 -0.15 0.00 -0.91 0.00 0.00 33.84 33.11 3hkv n VAL 881 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 3hkv s GLU 882 N -3.42 1.29 0.04 5.55 2.12 -1.26 -1.20 118.70 121.83 3hkv s GLU 882 Ca -0.03 -0.55 0.02 0.00 0.36 0.00 0.00 54.97 54.77 3hkv s GLU 882 Cb 0.11 -1.23 -0.02 0.00 0.26 0.00 0.00 34.13 33.25 3hkv s GLU 882 CO 0.83 0.32 -0.07 -0.65 -0.54 0.00 0.00 175.26 175.15 3hkv s GLN 883 N -0.31 0.51 -0.22 4.30 -0.21 -0.11 -4.95 119.66 118.68 3hkv s GLN 883 Ca 0.05 -0.77 -0.23 0.00 0.02 0.00 0.00 55.36 54.42 3hkv s GLN 883 Cb -0.07 -0.21 -0.01 0.00 1.00 0.00 0.00 33.01 33.73 3hkv s GLN 883 CO -0.00 0.03 0.76 0.08 -2.12 0.00 0.00 175.29 174.03 3hkv s VAL 884 N -1.57 4.90 0.23 1.09 1.01 -1.26 -0.83 120.40 123.97 3hkv s VAL 884 Ca -0.09 1.44 0.03 0.00 0.00 0.00 0.00 61.98 63.35 3hkv s VAL 884 Cb -0.09 -4.06 -0.05 0.00 0.00 0.00 0.00 36.38 32.18 3hkv s VAL 884 CO -0.00 0.00 0.02 -0.76 0.00 0.00 0.00 175.10 174.36 3hkv s LEU 885 N 2.45 2.07 -0.00 3.92 1.43 -0.37 -4.86 118.68 123.31 3hkv s LEU 885 Ca 0.33 -1.25 0.03 0.00 -1.03 0.00 0.00 54.13 52.22 3hkv s LEU 885 Cb -0.16 -0.17 -0.03 0.00 0.03 0.00 0.00 46.19 45.86 3hkv s LEU 885 CO 0.09 -0.57 -0.08 -0.31 0.23 0.00 0.00 176.35 175.71 3hkv s TYR 886 N -3.53 2.86 -0.18 0.29 2.02 0.48 -0.90 117.35 118.40 3hkv s TYR 886 Ca 0.30 -0.05 -0.04 0.00 -0.37 0.00 0.00 57.07 56.90 3hkv s TYR 886 Cb 0.06 -1.61 0.06 0.00 -0.40 0.00 0.00 41.96 40.07 3hkv s TYR 886 CO 0.09 0.35 0.07 -1.58 -1.57 0.00 0.00 175.55 172.91 3hkv s HIS 887 N -0.96 0.56 0.22 2.71 5.65 -0.25 -0.57 115.29 122.65 3hkv s HIS 887 Ca 0.16 -0.56 -0.29 0.00 0.25 0.00 0.00 55.06 54.62 3hkv s HIS 887 Cb -0.11 -0.84 -0.09 0.00 -1.18 0.00 0.00 32.58 30.36 3hkv s HIS 887 CO 0.06 -0.56 0.92 0.20 -0.65 0.00 0.00 174.74 174.71 3hkv s GLY 888 N 2.01 3.09 0.30 1.59 0.00 -1.26 -0.84 107.32 112.21 3hkv s GLY 888 Ca 0.01 0.58 -0.04 0.00 0.00 0.00 0.00 44.72 45.27 3hkv s GLY 888 CO -0.09 1.16 0.41 -1.08 0.00 0.00 0.00 173.10 173.50 3hkv s THR 889 N -1.12 0.00 0.44 0.90 -1.32 -0.90 -4.57 115.64 109.07 3hkv s THR 889 Ca 0.41 -1.65 -0.06 0.00 -1.21 0.00 0.00 61.69 59.18 3hkv s THR 889 Cb -0.25 -2.51 -0.04 0.00 -1.51 0.00 0.00 72.50 68.18 3hkv s THR 889 CO 0.31 0.00 0.75 0.42 -2.21 0.00 0.00 174.62 173.89 3hkv s THR 890 N -3.46 4.90 0.17 5.08 -4.23 -1.26 -4.10 115.64 112.73 3hkv s THR 890 Ca 0.31 0.27 -0.16 0.00 -1.18 0.00 0.00 61.69 60.92 3hkv s THR 890 Cb 0.01 -3.82 0.10 0.00 1.34 0.00 0.00 72.50 70.13 3hkv s THR 890 CO 0.17 -0.70 1.67 0.00 -0.54 0.00 0.00 174.62 175.22 3hkv h ALA 891 N 0.66 0.31 -0.82 3.99 0.00 -1.93 -1.94 119.26 119.53 3hkv h ALA 891 Ca -0.47 0.15 0.13 0.00 0.00 0.00 0.00 54.91 54.72 3hkv h ALA 891 Cb 1.20 0.29 -0.06 0.00 0.00 0.00 0.00 17.79 19.22 3hkv h ALA 891 CO 0.63 -0.44 0.53 -1.35 0.00 0.00 0.00 179.25 178.62 3hkv h PRO 892 N 0.02 0.61 0.00 0.00 0.11 -1.99 -2.49 132.00 128.26 3hkv h PRO 892 Ca 0.20 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.25 3hkv h PRO 892 Cb 0.31 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 31.28 3hkv h PRO 892 CO -0.41 0.40 -0.15 0.00 -0.21 0.00 0.00 178.00 177.63 3hkv h ALA 893 N 1.61 0.96 -0.29 -0.75 0.00 -1.68 -3.36 119.26 115.76 3hkv h ALA 893 Ca 0.40 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 55.24 3hkv h ALA 893 Cb 0.66 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.36 3hkv h ALA 893 CO -0.16 0.18 -0.18 0.28 0.00 0.00 0.00 179.25 179.37 3hkv h VAL 894 N 0.00 0.49 -0.59 0.00 2.07 -1.35 -1.64 116.25 115.24 3hkv h VAL 894 Ca -0.00 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.47 3hkv h VAL 894 Cb 0.83 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 31.06 3hkv h VAL 894 CO 0.02 0.00 0.16 -0.65 0.02 0.00 0.00 177.57 177.12 3hkv h PRO 895 N -0.15 0.90 -0.85 1.57 0.11 -1.77 -1.87 132.00 129.95 3hkv h PRO 895 Ca 0.16 -0.18 -0.02 0.00 0.11 0.00 0.00 66.00 66.06 3hkv h PRO 895 Cb 0.39 -0.14 -0.04 0.00 0.11 0.00 0.00 31.00 31.32 3hkv h PRO 895 CO -0.38 0.80 0.43 -0.44 -0.21 0.00 0.00 178.00 178.20 3hkv h ASP 896 N 0.87 1.09 -0.35 -2.05 3.32 -1.63 -0.82 116.42 116.85 3hkv h ASP 896 Ca 0.19 -0.12 -0.17 0.00 0.02 0.00 0.00 57.03 56.96 3hkv h ASP 896 Cb 0.29 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 3hkv h ASP 896 CO -0.00 0.90 -0.43 0.40 -1.72 0.00 0.00 179.24 178.38 3hkv h ILE 897 N 1.20 1.27 -0.81 0.35 2.04 -1.00 0.30 117.51 120.87 3hkv h ILE 897 Ca 0.30 -1.61 0.01 0.00 1.00 0.00 0.00 64.86 64.55 3hkv h ILE 897 Cb 0.08 1.48 -0.04 0.00 -0.74 0.00 0.00 36.82 37.60 3hkv h ILE 897 CO -0.04 0.53 0.53 0.00 0.00 0.00 0.00 178.15 179.17 3hkv h ALA 899 N 1.48 -0.08 0.00 0.00 0.00 -0.78 -3.42 119.26 116.48 3hkv h ALA 899 Ca 0.29 -0.92 0.00 0.00 0.00 0.00 0.00 54.91 54.29 3hkv h ALA 899 Cb -0.11 0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3hkv h ALA 899 CO -0.06 0.79 0.00 0.72 0.00 0.00 0.00 179.25 180.70 3hkv n HIS 900 N -3.67 0.00 -3.52 0.00 8.25 0.10 -5.05 115.22 111.33 3hkv n HIS 900 Ca -0.17 -0.17 0.01 0.00 -0.26 0.00 0.00 57.72 57.13 3hkv n HIS 900 Cb 1.09 -0.02 -0.00 0.00 1.12 0.00 0.00 29.99 32.19 3hkv n HIS 900 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hkv n GLY 901 N -0.17 -1.92 3.71 -1.41 0.00 0.90 -4.80 105.19 101.51 3hkv n GLY 901 Ca 0.00 -1.36 -0.40 0.00 0.00 0.00 0.00 46.02 44.26 3hkv n GLY 901 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hkv s PHE 902 N -0.22 3.58 0.21 1.61 0.08 -1.26 -4.27 117.98 117.70 3hkv s PHE 902 Ca 0.00 1.31 -0.15 0.00 0.12 0.00 0.00 56.93 58.21 3hkv s PHE 902 Cb 0.00 -2.86 0.01 0.00 -0.57 0.00 0.00 43.02 39.60 3hkv s PHE 902 CO 0.00 0.05 0.48 0.54 -0.10 0.00 0.00 175.22 176.19 3hkv s ASN 903 N 0.85 -0.16 0.28 1.36 4.22 -1.26 -4.46 114.94 115.78 3hkv s ASN 903 Ca 0.39 -0.68 0.02 0.00 -2.14 0.00 0.00 52.86 50.45 3hkv s ASN 903 Cb -0.18 0.56 0.67 0.00 1.28 0.00 0.00 41.25 43.58 3hkv s ASN 903 CO 0.19 -1.06 1.70 0.03 -2.04 0.00 0.00 177.10 175.92 3hkv h ARG 904 N 2.27 0.39 -0.04 3.55 3.08 -1.90 -0.88 114.38 120.84 3hkv h ARG 904 Ca -0.28 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 59.71 3hkv h ARG 904 Cb 1.25 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 31.21 3hkv h ARG 904 CO 0.38 0.26 -0.15 0.66 -1.07 0.00 0.00 179.97 180.05 3hkv h SER 905 N 0.40 0.06 0.03 7.04 4.64 -1.96 -3.04 113.55 120.72 3hkv h SER 905 Ca 0.53 -0.01 -0.38 0.00 -0.47 0.00 0.00 61.79 61.46 3hkv h SER 905 Cb 0.97 -0.02 -0.06 0.00 -0.31 0.00 0.00 62.40 62.99 3hkv h SER 905 CO -0.51 0.22 -2.36 0.49 -0.87 0.00 0.00 176.83 173.79 3hkv n PHE 906 N -4.33 0.30 -1.72 4.77 3.72 -1.01 -5.01 117.46 114.18 3hkv n PHE 906 Ca -0.02 0.06 -0.31 0.00 -0.05 0.00 0.00 57.45 57.14 3hkv n PHE 906 Cb 0.24 -1.04 0.04 0.00 -0.94 0.00 0.00 39.48 37.78 3hkv n PHE 906 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3hkv n GLY 908 N -2.43 0.64 1.31 0.00 0.00 -1.26 -4.82 105.19 98.63 3hkv n GLY 908 Ca 0.07 0.55 -0.08 0.00 0.00 0.00 0.00 46.02 46.56 3hkv n GLY 908 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hkv n ARG 909 N 2.25 1.96 0.02 1.61 1.74 -1.26 -4.66 116.66 118.32 3hkv n ARG 909 Ca 0.14 -3.24 -0.12 0.00 -0.77 0.00 0.00 57.85 53.86 3hkv n ARG 909 Cb 0.28 -1.88 -0.14 0.00 -1.02 0.00 0.00 32.46 29.71 3hkv n ARG 909 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 3hkv h ASN 910 N 1.09 0.14 -3.08 0.55 2.35 -1.97 -3.46 115.58 111.21 3hkv h ASN 910 Ca 0.27 -0.24 -0.57 0.00 -0.55 0.00 0.00 56.30 55.20 3hkv h ASN 910 Cb 1.70 -0.05 -0.05 0.00 0.05 0.00 0.00 38.32 39.97 3hkv h ASN 910 CO 0.49 1.21 0.77 0.00 -1.65 0.00 0.00 177.43 178.25 3hkv s ALA 911 N -2.62 3.61 0.00 -0.83 0.00 -1.26 -4.89 121.76 115.77 3hkv s ALA 911 Ca -0.07 0.31 0.00 0.00 0.00 0.00 0.00 51.96 52.20 3hkv s ALA 911 Cb 0.08 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.66 3hkv s ALA 911 CO 0.82 -0.96 0.18 0.25 0.00 0.00 0.00 175.76 176.05 3hkv n THR 912 N 5.12 0.00 -0.05 0.00 -2.24 -1.26 -4.67 114.28 111.18 3hkv n THR 912 Ca 0.12 -0.35 0.01 0.00 -2.27 0.00 0.00 64.05 61.55 3hkv n THR 912 Cb 0.46 1.15 0.30 0.00 -2.10 0.00 0.00 70.33 70.14 3hkv n THR 912 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 3hkv h VAL 913 N 0.15 1.18 -0.34 2.28 3.04 -1.90 0.73 116.25 121.38 3hkv h VAL 913 Ca 0.00 -0.58 0.00 0.00 -1.01 0.00 0.00 66.70 65.11 3hkv h VAL 913 Cb 0.07 0.68 0.00 0.00 -2.01 0.00 0.00 31.29 30.03 3hkv h VAL 913 CO 0.00 0.22 0.00 -1.22 -1.01 0.00 0.00 177.57 175.56 3hkv n TYR 914 N -4.35 0.94 0.00 3.17 4.01 -1.26 -1.69 117.16 117.99 3hkv n TYR 914 Ca 0.03 -0.74 0.00 0.00 -0.16 0.00 0.00 57.90 57.03 3hkv n TYR 914 Cb 0.17 -0.25 0.00 0.00 -0.31 0.00 0.00 39.34 38.95 3hkv n TYR 914 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hkv n GLY 915 N -0.01 3.03 2.80 2.72 0.00 -0.53 -3.80 105.19 109.41 3hkv n GLY 915 Ca 0.20 -2.03 -0.42 0.00 0.00 0.00 0.00 46.02 43.77 3hkv n GLY 915 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hkv n LYS 916 N -0.96 4.21 0.00 1.61 5.02 0.28 -4.35 118.16 123.97 3hkv n LYS 916 Ca 0.00 -3.89 0.00 0.00 -2.02 0.00 0.00 58.31 52.40 3hkv n LYS 916 Cb 0.00 -2.72 0.00 0.00 -0.02 0.00 0.00 35.03 32.29 3hkv n LYS 916 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hkv n GLY 917 N 1.92 6.00 3.67 0.72 0.00 -1.26 -4.86 105.19 111.38 3hkv n GLY 917 Ca 0.41 -1.62 -0.35 0.00 0.00 0.00 0.00 46.02 44.46 3hkv n GLY 917 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hkv s VAL 918 N 0.61 4.97 -0.14 1.61 1.01 -0.14 -4.90 120.40 123.42 3hkv s VAL 918 Ca 0.00 0.03 -0.10 0.00 0.00 0.00 0.00 61.98 61.92 3hkv s VAL 918 Cb 0.00 -3.25 -0.05 0.00 0.00 0.00 0.00 36.38 33.09 3hkv s VAL 918 CO 0.00 0.46 0.18 -0.31 0.00 0.00 0.00 175.10 175.43 3hkv s TYR 919 N 0.34 3.53 0.06 5.22 1.51 -1.26 -1.59 117.35 125.15 3hkv s TYR 919 Ca 0.05 0.51 0.06 0.00 -1.01 0.00 0.00 57.07 56.68 3hkv s TYR 919 Cb -0.12 -2.10 -0.03 0.00 -0.11 0.00 0.00 41.96 39.61 3hkv s TYR 919 CO -0.01 0.51 -0.18 -0.06 -1.11 0.00 0.00 175.55 174.71 3hkv s PHE 920 N -0.35 1.52 -0.05 2.71 0.08 -0.12 -4.79 117.98 116.99 3hkv s PHE 920 Ca 0.13 -0.39 0.04 0.00 0.12 0.00 0.00 56.93 56.83 3hkv s PHE 920 Cb -0.12 -0.88 -0.03 0.00 -0.57 0.00 0.00 43.02 41.42 3hkv s PHE 920 CO 0.03 0.09 -0.15 0.00 -0.10 0.00 0.00 175.22 175.09 3hkv s ALA 921 N -0.96 2.64 0.33 5.36 0.00 0.26 -1.31 121.76 128.09 3hkv s ALA 921 Ca 0.04 -0.98 0.04 0.00 0.00 0.00 0.00 51.96 51.06 3hkv s ALA 921 Cb -0.09 -0.96 0.58 0.00 0.00 0.00 0.00 23.12 22.66 3hkv s ALA 921 CO 0.02 0.54 1.86 0.87 0.00 0.00 0.00 175.76 179.06 3hkv h LYS 922 N 5.40 0.52 -5.31 0.00 1.57 -1.51 0.14 116.57 117.38 3hkv h LYS 922 Ca -0.46 -0.12 -0.66 0.00 -1.87 0.00 0.00 60.65 57.54 3hkv h LYS 922 Cb 1.15 -0.07 -0.29 0.00 0.08 0.00 0.00 32.23 33.11 3hkv h LYS 922 CO 0.50 0.57 -0.79 1.03 -0.57 0.00 0.00 179.45 180.19 3hkv s ARG 923 N -4.93 3.30 0.58 3.15 0.52 -1.26 -4.76 118.95 115.55 3hkv s ARG 923 Ca -0.08 -0.73 0.28 0.00 -0.52 0.00 0.00 55.73 54.68 3hkv s ARG 923 Cb 0.15 -2.56 1.64 0.00 0.52 0.00 0.00 34.95 34.71 3hkv s ARG 923 CO 0.77 0.19 2.13 0.00 0.02 0.00 0.00 175.30 178.40 3hkv h ALA 924 N 6.76 1.81 -0.65 2.13 0.00 -1.83 -2.06 119.26 125.42 3hkv h ALA 924 Ca -0.25 -0.01 0.16 0.00 0.00 0.00 0.00 54.91 54.82 3hkv h ALA 924 Cb 1.22 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.98 3hkv h ALA 924 CO 0.54 -0.24 0.45 0.66 0.00 0.00 0.00 179.25 180.66 3hkv h SER 925 N 0.00 0.16 0.00 0.00 4.64 -1.64 0.14 113.55 116.85 3hkv h SER 925 Ca 0.07 0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 61.37 3hkv h SER 925 Cb 0.39 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 3hkv h SER 925 CO -0.00 0.08 -0.12 0.25 -0.87 0.00 0.00 176.83 176.17 3hkv h LEU 926 N 0.16 0.10 -1.30 5.97 5.85 -1.67 -3.35 115.31 121.08 3hkv h LEU 926 Ca 0.31 -0.82 -0.07 0.00 0.84 0.00 0.00 57.88 58.15 3hkv h LEU 926 Cb 1.00 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.99 3hkv h LEU 926 CO -0.05 0.91 -0.33 0.28 -0.34 0.00 0.00 178.44 178.90 3hkv h SER 927 N -0.69 0.00 0.66 1.25 0.02 -1.17 -2.83 113.55 110.79 3hkv h SER 927 Ca -0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 3hkv h SER 927 Cb 0.93 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.47 3hkv h SER 927 CO 0.02 0.33 0.00 1.33 -1.14 0.00 0.00 176.83 177.38 3hkv n VAL 928 N -3.91 0.65 -1.93 2.27 0.24 0.31 -3.68 118.33 112.28 3hkv n VAL 928 Ca -0.02 0.16 -0.41 0.00 -2.04 0.00 0.00 64.34 62.04 3hkv n VAL 928 Cb 0.40 -0.83 -0.01 0.00 -1.47 0.00 0.00 33.84 31.93 3hkv n VAL 928 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 3hkv s GLN 929 N -2.99 4.22 0.41 7.34 -0.21 -1.07 -4.75 119.66 122.60 3hkv s GLN 929 Ca 0.10 2.41 0.09 0.00 0.02 0.00 0.00 55.36 57.98 3hkv s GLN 929 Cb 0.13 -3.04 0.90 0.00 1.00 0.00 0.00 33.01 32.00 3hkv s GLN 929 CO 0.35 -0.42 2.01 -0.44 -2.12 0.00 0.00 175.29 174.67 3hkv h ASP 930 N 3.81 0.47 0.01 5.90 3.32 -1.87 0.10 116.42 128.16 3hkv h ASP 930 Ca -0.49 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.56 3hkv h ASP 930 Cb 1.23 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 40.67 3hkv h ASP 930 CO 0.70 0.31 -0.00 0.08 -1.72 0.00 0.00 179.24 178.61 3hkv h ARG 931 N 0.54 0.00 0.00 3.56 0.11 -1.94 -1.87 114.38 114.77 3hkv h ARG 931 Ca 0.22 0.00 -0.26 0.00 0.10 0.00 0.00 59.98 60.05 3hkv h ARG 931 Cb 0.21 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.24 3hkv h ARG 931 CO -0.06 0.00 -1.97 0.66 0.10 0.00 0.00 179.97 178.70 3hkv n TYR 932 N -3.12 0.00 -3.30 4.08 4.01 0.27 -4.76 117.16 114.34 3hkv n TYR 932 Ca -0.03 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.45 3hkv n TYR 932 Cb 0.07 -0.68 -0.07 0.00 -0.31 0.00 0.00 39.34 38.36 3hkv n TYR 932 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 3hkv n SER 933 N -2.80 3.09 -4.77 7.72 3.41 -0.71 -2.11 113.62 117.45 3hkv n SER 933 Ca -0.27 -3.32 -0.41 0.00 -0.26 0.00 0.00 58.87 54.60 3hkv n SER 933 Cb 0.88 -0.65 -0.01 0.00 -0.26 0.00 0.00 64.21 64.17 3hkv n SER 933 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 3hkv s PRO 934 N -2.38 4.21 0.50 4.33 0.04 -0.71 -4.57 135.00 136.42 3hkv s PRO 934 Ca 0.40 2.39 -0.23 0.00 0.04 0.00 0.00 61.00 63.60 3hkv s PRO 934 Cb 0.18 -3.00 -0.06 0.00 0.04 0.00 0.00 34.50 31.66 3hkv s PRO 934 CO -0.05 -0.37 1.28 -2.14 0.04 0.00 0.00 177.00 175.76 3hkv s PRO 935 N -1.97 3.45 0.00 0.56 0.02 -1.26 -4.62 135.00 131.18 3hkv s PRO 935 Ca 0.51 2.06 0.00 0.00 0.02 0.00 0.00 61.00 63.59 3hkv s PRO 935 Cb -0.43 -2.36 0.00 0.00 0.02 0.00 0.00 34.50 31.73 3hkv s PRO 935 CO 0.58 -0.89 0.00 0.27 -0.33 0.00 0.00 177.00 176.63 3hkv n ASN 936 N -0.72 0.00 -0.22 2.53 0.23 -0.63 -4.86 115.26 111.59 3hkv n ASN 936 Ca 0.09 -0.80 0.03 0.00 -0.53 0.00 0.00 54.58 53.36 3hkv n ASN 936 Cb 0.46 0.00 0.13 0.00 -2.08 0.00 0.00 39.78 38.29 3hkv n ASN 936 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3hkv h ALA 937 N -1.30 0.75 0.00 -2.53 0.00 -1.97 -0.29 119.26 113.92 3hkv h ALA 937 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3hkv h ALA 937 Cb 0.00 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3hkv h ALA 937 CO 0.00 -0.38 0.00 -0.25 0.00 0.00 0.00 179.25 178.62 3hkv n ASP 938 N -5.24 0.00 -0.77 0.00 8.00 -1.26 -4.85 116.55 112.43 3hkv n ASP 938 Ca 0.11 -0.84 -0.08 0.00 0.71 0.00 0.00 54.79 54.69 3hkv n ASP 938 Cb 0.40 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.48 3hkv n ASP 938 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hkv n GLY 939 N 0.39 0.54 3.78 0.44 0.00 -0.12 -5.03 105.19 105.19 3hkv n GLY 939 Ca 0.14 -0.61 -0.38 0.00 0.00 0.00 0.00 46.02 45.17 3hkv n GLY 939 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3hkv s HIS 940 N -2.35 3.65 -0.06 1.61 3.76 -1.26 -4.44 115.29 116.20 3hkv s HIS 940 Ca 0.00 1.02 0.04 0.00 -0.15 0.00 0.00 55.06 55.97 3hkv s HIS 940 Cb 0.00 -2.46 -0.02 0.00 1.11 0.00 0.00 32.58 31.21 3hkv s HIS 940 CO 0.00 0.42 -0.19 0.15 -0.85 0.00 0.00 174.74 174.27 3hkv s LYS 941 N -0.32 2.61 -0.29 1.40 1.02 0.12 -1.61 119.74 122.68 3hkv s LYS 941 Ca 0.26 -0.79 -0.10 0.00 0.02 0.00 0.00 55.97 55.37 3hkv s LYS 941 Cb -0.17 -2.31 -0.03 0.00 -0.52 0.00 0.00 37.83 34.80 3hkv s LYS 941 CO 0.13 0.48 0.16 0.00 -0.92 0.00 0.00 175.35 175.20 3hkv s ALA 942 N -0.38 3.36 -0.19 5.17 0.00 -1.26 -1.13 121.76 127.34 3hkv s ALA 942 Ca 0.03 -1.23 0.00 0.00 0.00 0.00 0.00 51.96 50.76 3hkv s ALA 942 Cb -0.12 -2.38 0.04 0.00 0.00 0.00 0.00 23.12 20.66 3hkv s ALA 942 CO 0.02 -0.71 -0.08 0.08 0.00 0.00 0.00 175.76 175.08 3hkv s VAL 943 N 1.68 1.41 0.40 0.00 1.01 -0.08 -2.15 120.40 122.67 3hkv s VAL 943 Ca 0.06 -0.88 -0.24 0.00 0.00 0.00 0.00 61.98 60.92 3hkv s VAL 943 Cb -0.16 -1.55 -0.09 0.00 0.00 0.00 0.00 36.38 34.57 3hkv s VAL 943 CO 0.08 0.12 1.03 -0.36 0.00 0.00 0.00 175.10 175.97 3hkv s PHE 944 N 1.49 3.30 -0.10 5.22 0.08 -0.02 -0.62 117.98 127.34 3hkv s PHE 944 Ca -0.01 1.65 -0.02 0.00 0.12 0.00 0.00 56.93 58.67 3hkv s PHE 944 Cb -0.16 -3.09 -0.03 0.00 -0.57 0.00 0.00 43.02 39.17 3hkv s PHE 944 CO -0.08 -0.52 -0.02 0.08 -0.10 0.00 0.00 175.22 174.58 3hkv s VAL 945 N -1.70 4.10 0.02 -0.44 1.01 0.46 -1.09 120.40 122.76 3hkv s VAL 945 Ca 0.58 -0.31 0.00 0.00 0.00 0.00 0.00 61.98 62.25 3hkv s VAL 945 Cb -0.21 -2.74 -0.02 0.00 0.00 0.00 0.00 36.38 33.42 3hkv s VAL 945 CO 0.26 0.57 -0.04 0.00 0.00 0.00 0.00 175.10 175.89 3hkv s ALA 946 N -0.52 0.19 -0.21 5.51 0.00 -0.07 -1.21 121.76 125.44 3hkv s ALA 946 Ca 0.09 -0.57 -0.18 0.00 0.00 0.00 0.00 51.96 51.30 3hkv s ALA 946 Cb -0.12 0.12 -0.03 0.00 0.00 0.00 0.00 23.12 23.09 3hkv s ALA 946 CO 0.02 -0.12 0.49 1.03 0.00 0.00 0.00 175.76 177.18 3hkv s ARG 947 N -1.34 4.16 -0.10 0.00 0.52 -0.53 -1.23 118.95 120.43 3hkv s ARG 947 Ca -0.14 0.34 0.03 0.00 -0.52 0.00 0.00 55.73 55.44 3hkv s ARG 947 Cb -0.09 -3.57 0.01 0.00 0.52 0.00 0.00 34.95 31.81 3hkv s ARG 947 CO -0.01 -0.16 -0.19 0.08 0.02 0.00 0.00 175.30 175.04 3hkv s VAL 948 N 1.69 1.70 -1.23 3.52 1.01 -0.01 -1.01 120.40 126.07 3hkv s VAL 948 Ca 0.22 -0.79 -0.16 0.00 0.00 0.00 0.00 61.98 61.25 3hkv s VAL 948 Cb -0.15 -1.51 0.12 0.00 0.00 0.00 0.00 36.38 34.84 3hkv s VAL 948 CO 0.09 0.48 1.56 -0.76 0.00 0.00 0.00 175.10 176.47 3hkv s LEU 949 N 0.68 4.50 0.36 3.92 1.43 -0.00 -0.93 118.68 128.64 3hkv s LEU 949 Ca -0.12 -2.70 0.17 0.00 -1.03 0.00 0.00 54.13 50.44 3hkv s LEU 949 Cb -0.16 -2.48 0.67 0.00 0.03 0.00 0.00 46.19 44.25 3hkv s LEU 949 CO 0.03 -0.95 1.74 0.71 0.23 0.00 0.00 176.35 178.11 3hkv h THR 950 N 5.13 1.01 0.00 5.49 1.35 -1.66 -3.46 112.91 120.76 3hkv h THR 950 Ca 0.37 -1.55 0.00 0.00 -0.55 0.00 0.00 66.41 64.68 3hkv h THR 950 Cb 0.88 1.91 0.00 0.00 -1.73 0.00 0.00 68.15 69.21 3hkv h THR 950 CO 1.34 0.40 0.00 0.61 -0.25 0.00 0.00 175.52 177.61 3hkv n GLY 951 N 0.11 2.77 3.60 5.82 0.00 -0.34 -3.70 105.19 113.45 3hkv n GLY 951 Ca -0.01 -0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 3hkv n GLY 951 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hkv s ASP 952 N -4.00 6.61 0.08 1.61 1.01 -1.26 -4.85 116.67 115.87 3hkv s ASP 952 Ca 0.00 0.51 0.02 0.00 0.71 0.00 0.00 52.55 53.79 3hkv s ASP 952 Cb 0.00 -2.40 -0.04 0.00 1.01 0.00 0.00 42.92 41.49 3hkv s ASP 952 CO 0.00 -0.68 0.13 -0.72 0.21 0.00 0.00 175.17 174.11 3hkv s TYR 953 N 3.04 3.30 0.18 4.23 -0.85 -1.25 -0.78 117.35 125.21 3hkv s TYR 953 Ca 0.32 0.13 0.07 0.00 -0.52 0.00 0.00 57.07 57.06 3hkv s TYR 953 Cb -0.14 -1.66 -0.05 0.00 0.38 0.00 0.00 41.96 40.50 3hkv s TYR 953 CO 0.15 0.54 -0.13 0.20 -1.52 0.00 0.00 175.55 174.79 3hkv s GLY 954 N -2.50 1.29 0.11 5.49 0.00 -0.65 -4.93 107.32 106.14 3hkv s GLY 954 Ca 0.31 -1.59 -0.32 0.00 0.00 0.00 0.00 44.72 43.12 3hkv s GLY 954 CO 0.24 -1.69 1.77 -0.18 0.00 0.00 0.00 173.10 173.24 3hkv n GLN 955 N -0.28 2.55 -2.49 2.90 -0.06 -1.26 -1.19 117.38 117.54 3hkv n GLN 955 Ca -0.09 0.92 -0.34 0.00 -2.00 0.00 0.00 57.00 55.50 3hkv n GLN 955 Cb 0.60 -2.77 -0.03 0.00 -4.06 0.00 0.00 30.24 23.98 3hkv n GLN 955 CO 0.00 0.00 0.00 0.20 -0.20 0.00 0.00 177.06 177.06 3hkv s GLY 956 N 2.26 2.47 0.00 1.69 0.00 -0.54 -4.70 107.32 108.50 3hkv s GLY 956 Ca 0.82 0.59 0.07 0.00 0.00 0.00 0.00 44.72 46.19 3hkv s GLY 956 CO 0.39 0.91 -0.20 0.50 0.00 0.00 0.00 173.10 174.69 3hkv s ARG 957 N -3.32 1.57 0.24 2.90 0.52 -1.25 -4.78 118.95 114.83 3hkv s ARG 957 Ca 0.67 -0.79 -0.31 0.00 -0.52 0.00 0.00 55.73 54.78 3hkv s ARG 957 Cb -0.16 -1.56 -0.12 0.00 0.52 0.00 0.00 34.95 33.62 3hkv s ARG 957 CO 0.22 0.42 1.60 2.89 0.02 0.00 0.00 175.30 180.45 3hkv n ARG 958 N 2.36 2.53 -0.57 3.54 1.85 -0.68 -2.47 116.66 123.22 3hkv n ARG 958 Ca -0.16 0.91 0.00 0.00 -1.00 0.00 0.00 57.85 57.60 3hkv n ARG 958 Cb 0.53 -2.68 0.00 0.00 -1.05 0.00 0.00 32.46 29.26 3hkv n ARG 958 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3hkv n GLY 959 N 2.84 1.58 3.74 2.89 0.00 0.14 -4.85 105.19 111.52 3hkv n GLY 959 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 3hkv n GLY 959 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hkv s LEU 960 N 0.00 4.42 0.19 0.99 2.96 -1.03 -4.64 118.68 121.58 3hkv s LEU 960 Ca 0.00 2.36 0.26 0.00 -0.22 0.00 0.00 54.13 56.53 3hkv s LEU 960 Cb 0.00 -3.61 0.72 0.00 0.50 0.00 0.00 46.19 43.81 3hkv s LEU 960 CO 0.00 -0.49 1.69 -1.14 -1.32 0.00 0.00 176.35 175.09 3hkv n ARG 961 N 2.60 0.27 -4.37 1.98 3.00 -1.26 -0.56 116.66 118.32 3hkv n ARG 961 Ca 0.06 0.19 -0.19 0.00 -0.00 0.00 0.00 57.85 57.90 3hkv n ARG 961 Cb 0.43 -1.78 -0.10 0.00 0.00 0.00 0.00 32.46 31.02 3hkv n ARG 961 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3hkv s ALA 962 N -3.11 2.07 0.84 5.13 0.00 -1.26 -4.79 121.76 120.63 3hkv s ALA 962 Ca 0.10 -1.76 -0.11 0.00 0.00 0.00 0.00 51.96 50.20 3hkv s ALA 962 Cb 0.13 1.01 0.10 0.00 0.00 0.00 0.00 23.12 24.35 3hkv s ALA 962 CO 0.62 -0.45 1.13 -2.14 0.00 0.00 0.00 175.76 174.92 3hkv s PRO 963 N -3.88 1.64 0.69 0.00 0.02 -1.26 -4.89 135.00 127.32 3hkv s PRO 963 Ca 0.35 1.42 -0.14 0.00 0.02 0.00 0.00 61.00 62.64 3hkv s PRO 963 Cb 0.06 -1.81 0.02 0.00 0.02 0.00 0.00 34.50 32.79 3hkv s PRO 963 CO 0.16 -2.15 1.13 -1.25 -0.33 0.00 0.00 177.00 174.55 3hkv s PRO 964 N -4.67 2.55 0.31 5.54 0.04 -1.26 -4.67 135.00 132.84 3hkv s PRO 964 Ca 0.65 1.43 -0.29 0.00 0.04 0.00 0.00 61.00 62.83 3hkv s PRO 964 Cb -0.21 -1.92 -0.10 0.00 0.04 0.00 0.00 34.50 32.31 3hkv s PRO 964 CO 0.56 -1.45 1.34 -0.51 0.04 0.00 0.00 177.00 176.98 3hkv s LEU 965 N -5.11 4.41 0.22 -3.56 1.43 -1.26 -1.57 118.68 113.25 3hkv s LEU 965 Ca 0.67 2.68 0.06 0.00 -1.03 0.00 0.00 54.13 56.51 3hkv s LEU 965 Cb -0.22 -3.64 0.19 0.00 0.03 0.00 0.00 46.19 42.55 3hkv s LEU 965 CO 0.44 -0.58 1.51 0.03 0.23 0.00 0.00 176.35 177.98 3hkv h ARG 966 N 3.82 0.14 0.00 1.70 3.08 -1.07 -3.44 114.38 118.61 3hkv h ARG 966 Ca -0.48 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 59.45 3hkv h ARG 966 Cb 1.22 0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.30 3hkv h ARG 966 CO 0.69 0.79 0.00 0.41 -1.07 0.00 0.00 179.97 180.78 3hkv n GLY 967 N 0.48 -2.28 0.26 0.04 0.00 -1.26 -4.72 105.19 97.71 3hkv n GLY 967 Ca -0.02 -1.61 0.15 0.00 0.00 0.00 0.00 46.02 44.54 3hkv n GLY 967 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hkv h PRO 968 N 0.00 0.00 -0.99 1.61 0.13 -1.97 -3.15 132.00 127.63 3hkv h PRO 968 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3hkv h PRO 968 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3hkv h PRO 968 CO 0.00 0.08 0.00 0.41 -0.23 0.00 0.00 178.00 178.26 3hkv n GLY 969 N 0.06 1.62 3.14 1.56 0.00 -1.26 -4.83 105.19 105.48 3hkv n GLY 969 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 3hkv n GLY 969 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3hkv s HIS 970 N -0.71 -0.34 0.20 1.61 3.76 -1.19 -5.03 115.29 113.59 3hkv s HIS 970 Ca 0.00 0.81 0.05 0.00 -0.15 0.00 0.00 55.06 55.77 3hkv s HIS 970 Cb 0.00 0.10 0.12 0.00 1.11 0.00 0.00 32.58 33.91 3hkv s HIS 970 CO 0.00 -0.19 1.47 -0.24 -0.85 0.00 0.00 174.74 174.93 3hkv h VAL 971 N 5.13 1.48 -4.01 -0.90 3.04 -1.88 -3.45 116.25 115.66 3hkv h VAL 971 Ca -0.31 -2.44 -0.48 0.00 -1.01 0.00 0.00 66.70 62.45 3hkv h VAL 971 Cb 1.18 2.32 0.01 0.00 -2.01 0.00 0.00 31.29 32.80 3hkv h VAL 971 CO 0.34 0.71 0.28 -0.76 -1.01 0.00 0.00 177.57 177.13 3hkv s LEU 972 N -7.50 3.70 -0.09 3.16 1.43 -1.26 -5.00 118.68 113.12 3hkv s LEU 972 Ca -0.02 1.41 -0.22 0.00 -1.03 0.00 0.00 54.13 54.26 3hkv s LEU 972 Cb 0.11 -4.33 -0.29 0.00 0.03 0.00 0.00 46.19 41.72 3hkv s LEU 972 CO 0.80 -0.52 0.77 0.25 0.23 0.00 0.00 176.35 177.88 3hkv h LEU 973 N 1.04 0.33 -8.72 1.79 5.85 -1.94 -3.42 115.31 110.25 3hkv h LEU 973 Ca -0.47 -0.92 -0.55 0.00 0.84 0.00 0.00 57.88 56.78 3hkv h LEU 973 Cb 1.19 -0.11 -0.21 0.00 0.37 0.00 0.00 40.66 41.90 3hkv h LEU 973 CO 0.62 1.36 -0.82 -0.13 -0.34 0.00 0.00 178.44 179.14 3hkv s ARG 974 N -2.39 1.16 1.03 1.25 0.52 -1.26 -0.55 118.95 118.71 3hkv s ARG 974 Ca -0.17 -1.23 -0.12 0.00 -0.52 0.00 0.00 55.73 53.70 3hkv s ARG 974 Cb 0.01 -1.38 0.19 0.00 0.52 0.00 0.00 34.95 34.29 3hkv s ARG 974 CO 0.78 0.31 0.98 0.66 0.02 0.00 0.00 175.30 178.05 3hkv n TYR 975 N 0.88 -0.21 0.09 -0.53 4.01 -0.61 -4.77 117.16 116.03 3hkv n TYR 975 Ca -0.18 0.17 -0.06 0.00 -0.16 0.00 0.00 57.90 57.68 3hkv n TYR 975 Cb 0.54 -1.85 0.01 0.00 -0.31 0.00 0.00 39.34 37.73 3hkv n TYR 975 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 3hkv h ASP 976 N -2.17 0.09 -5.28 7.72 3.32 -1.21 -3.44 116.42 115.44 3hkv h ASP 976 Ca -0.50 -0.07 -0.09 0.00 0.02 0.00 0.00 57.03 56.38 3hkv h ASP 976 Cb 1.30 -0.03 -0.09 0.00 0.22 0.00 0.00 39.33 40.73 3hkv h ASP 976 CO 0.43 0.89 -0.13 -0.94 -1.72 0.00 0.00 179.24 177.77 3hkv s SER 977 N -6.83 0.05 0.21 6.45 1.04 -1.17 -4.72 113.70 108.73 3hkv s SER 977 Ca -0.01 -1.03 0.09 0.00 0.48 0.00 0.00 55.95 55.49 3hkv s SER 977 Cb 0.11 0.60 -0.04 0.00 0.10 0.00 0.00 66.02 66.79 3hkv s SER 977 CO 0.80 -1.18 -0.09 0.00 0.98 0.00 0.00 173.24 173.76 3hkv s ALA 978 N -3.82 2.95 0.22 5.32 0.00 -0.40 -1.63 121.76 124.39 3hkv s ALA 978 Ca 0.24 -1.55 0.00 0.00 0.00 0.00 0.00 51.96 50.65 3hkv s ALA 978 Cb -0.01 -0.68 -0.05 0.00 0.00 0.00 0.00 23.12 22.39 3hkv s ALA 978 CO 0.11 0.41 0.10 0.00 0.00 0.00 0.00 175.76 176.38 3hkv s MET 979 N -3.05 1.28 0.04 0.00 0.23 -0.33 -0.09 119.30 117.37 3hkv s MET 979 Ca 0.26 -1.68 -0.14 0.00 -1.03 0.00 0.00 55.69 53.10 3hkv s MET 979 Cb -0.08 -0.00 -0.33 0.00 -1.53 0.00 0.00 34.83 32.89 3hkv s MET 979 CO 0.16 -0.33 1.05 0.38 -2.03 0.00 0.00 175.02 174.25 3hkv h ASP 980 N 2.53 0.82 -4.17 -1.18 2.03 -1.81 -1.44 116.42 113.20 3hkv h ASP 980 Ca -0.37 -0.84 -0.03 0.00 -0.73 0.00 0.00 57.03 55.07 3hkv h ASP 980 Cb 1.24 -0.26 -0.21 0.00 -0.83 0.00 0.00 39.33 39.27 3hkv h ASP 980 CO 0.57 1.65 0.21 0.00 -1.03 0.00 0.00 179.24 180.64 3hkv h ILE 982 N 3.60 0.54 -3.53 0.00 6.09 -1.98 -3.14 117.51 119.09 3hkv h ILE 982 Ca -0.28 -0.77 -0.61 0.00 -1.37 0.00 0.00 64.86 61.83 3hkv h ILE 982 Cb 1.16 1.52 -0.11 0.00 0.47 0.00 0.00 36.82 39.86 3hkv h ILE 982 CO 0.16 0.16 0.43 0.00 -3.07 0.00 0.00 178.15 175.83 3hkv n GLN 984 N 6.53 -1.53 -1.82 0.00 6.02 -1.26 -4.85 117.38 120.47 3hkv n GLN 984 Ca 0.04 0.94 -0.42 0.00 -0.01 0.00 0.00 57.00 57.56 3hkv n GLN 984 Cb 0.48 -2.96 -0.02 0.00 1.02 0.00 0.00 30.24 28.76 3hkv n GLN 984 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 3hkv s PRO 985 N -4.44 4.16 0.00 -1.09 0.04 -1.18 -4.84 135.00 127.64 3hkv s PRO 985 Ca 0.02 2.51 0.00 0.00 0.04 0.00 0.00 61.00 63.57 3hkv s PRO 985 Cb -0.00 -3.06 0.00 0.00 0.04 0.00 0.00 34.50 31.47 3hkv s PRO 985 CO 0.87 -0.62 0.00 -1.13 0.04 0.00 0.00 177.00 176.16 3hkv n SER 986 N 2.80 0.92 -3.97 6.66 3.41 -1.26 -4.89 113.62 117.29 3hkv n SER 986 Ca 0.10 -0.34 -0.19 0.00 -0.26 0.00 0.00 58.87 58.18 3hkv n SER 986 Cb 0.38 0.86 -0.15 0.00 -0.26 0.00 0.00 64.21 65.04 3hkv n SER 986 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3hkv s ILE 987 N -1.05 0.66 -0.03 -1.33 1.01 -1.26 -1.29 121.20 117.90 3hkv s ILE 987 Ca 0.00 -0.29 0.04 0.00 0.00 0.00 0.00 60.65 60.40 3hkv s ILE 987 Cb 0.00 -0.60 -0.00 0.00 0.01 0.00 0.00 42.46 41.87 3hkv s ILE 987 CO 0.00 0.21 -0.13 -0.36 0.00 0.00 0.00 174.94 174.66 3hkv s PHE 988 N 0.25 1.30 -0.16 3.97 0.08 -0.42 -2.37 117.98 120.62 3hkv s PHE 988 Ca -0.04 -0.33 -0.02 0.00 0.12 0.00 0.00 56.93 56.67 3hkv s PHE 988 Cb -0.08 -0.88 -0.01 0.00 -0.57 0.00 0.00 43.02 41.48 3hkv s PHE 988 CO 0.00 -0.10 -0.10 0.08 -0.10 0.00 0.00 175.22 175.00 3hkv s VAL 989 N 0.02 3.19 0.16 -0.44 1.01 0.86 -0.95 120.40 124.25 3hkv s VAL 989 Ca -0.01 -0.59 0.11 0.00 0.00 0.00 0.00 61.98 61.49 3hkv s VAL 989 Cb -0.09 -2.38 -0.04 0.00 0.00 0.00 0.00 36.38 33.87 3hkv s VAL 989 CO 0.01 0.49 -0.25 0.27 0.00 0.00 0.00 175.10 175.62 3hkv s ILE 990 N 0.75 2.34 0.00 2.22 -4.36 -0.62 -1.27 121.20 120.25 3hkv s ILE 990 Ca -0.04 -1.86 0.00 0.00 -0.26 0.00 0.00 60.65 58.49 3hkv s ILE 990 Cb -0.15 -2.08 0.00 0.00 1.25 0.00 0.00 42.46 41.48 3hkv s ILE 990 CO 0.02 0.00 0.28 0.49 0.24 0.00 0.00 174.94 175.96 3hkv n PHE 991 N 0.62 0.00 -4.82 1.37 3.72 -1.26 -0.97 117.46 116.12 3hkv n PHE 991 Ca -0.16 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 56.92 3hkv n PHE 991 Cb 0.54 0.00 -0.13 0.00 -0.94 0.00 0.00 39.48 38.95 3hkv n PHE 991 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 176.76 175.70 3hkv s HIS 992 N -0.22 2.70 -1.16 1.38 3.76 -1.26 -5.03 115.29 115.45 3hkv s HIS 992 Ca 0.00 -0.16 0.27 0.00 -0.15 0.00 0.00 55.06 55.02 3hkv s HIS 992 Cb 0.00 -1.60 1.24 0.00 1.11 0.00 0.00 32.58 33.32 3hkv s HIS 992 CO 0.00 0.21 1.89 -0.40 -0.85 0.00 0.00 174.74 175.59 3hkv n ASP 993 N 2.13 0.00 -1.14 1.40 5.68 -1.26 -2.60 116.55 120.75 3hkv n ASP 993 Ca -0.17 0.27 0.10 0.00 -0.50 0.00 0.00 54.79 54.49 3hkv n ASP 993 Cb 0.52 -0.42 0.27 0.00 -1.14 0.00 0.00 41.12 40.36 3hkv n ASP 993 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 3hkv n THR 994 N -1.42 1.09 0.78 2.12 -2.24 -1.26 -4.47 114.28 108.88 3hkv n THR 994 Ca 0.09 -1.03 0.12 0.00 -2.27 0.00 0.00 64.05 60.96 3hkv n THR 994 Cb 0.28 0.46 0.27 0.00 -2.10 0.00 0.00 70.33 69.24 3hkv n THR 994 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 3hkv n GLN 995 N 1.22 0.15 -3.91 -0.78 7.27 -1.07 -4.26 117.38 116.01 3hkv n GLN 995 Ca 0.21 0.05 -0.18 0.00 0.07 0.00 0.00 57.00 57.15 3hkv n GLN 995 Cb 0.59 -1.61 -0.16 0.00 2.41 0.00 0.00 30.24 31.47 3hkv n GLN 995 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3hkv s ALA 996 N -3.08 0.39 -0.34 1.69 0.00 -1.26 -0.82 121.76 118.33 3hkv s ALA 996 Ca 0.09 0.11 -0.05 0.00 0.00 0.00 0.00 51.96 52.11 3hkv s ALA 996 Cb 0.15 -0.41 0.05 0.00 0.00 0.00 0.00 23.12 22.92 3hkv s ALA 996 CO 0.68 -0.15 0.09 -1.17 0.00 0.00 0.00 175.76 175.21 3hkv s LEU 997 N 1.23 4.32 0.13 0.00 2.96 -0.18 -4.52 118.68 122.63 3hkv s LEU 997 Ca -0.07 -1.26 -0.31 0.00 -0.22 0.00 0.00 54.13 52.27 3hkv s LEU 997 Cb -0.13 -1.83 -0.09 0.00 0.50 0.00 0.00 46.19 44.63 3hkv s LEU 997 CO -0.02 -0.34 1.56 -2.16 -1.32 0.00 0.00 176.35 174.08 3hkv s PRO 998 N 1.35 4.23 -0.16 0.98 0.04 -1.26 -1.45 135.00 138.72 3hkv s PRO 998 Ca -0.02 2.31 0.05 0.00 0.04 0.00 0.00 61.00 63.38 3hkv s PRO 998 Cb -0.20 -3.29 -0.13 0.00 0.04 0.00 0.00 34.50 30.92 3hkv s PRO 998 CO 0.01 -0.62 -0.09 0.25 0.04 0.00 0.00 177.00 176.59 3hkv n THR 999 N 4.18 1.00 -3.91 1.26 -2.24 -0.35 -4.72 114.28 109.49 3hkv n THR 999 Ca 0.14 -0.45 -0.10 0.00 -2.27 0.00 0.00 64.05 61.37 3hkv n THR 999 Cb 0.40 -0.97 -0.10 0.00 -2.10 0.00 0.00 70.33 67.56 3hkv n THR 999 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3hkv s HIS 1000N -2.35 0.13 -0.19 4.78 3.76 -1.09 -0.31 115.29 120.04 3hkv s HIS 1000Ca -0.19 -0.33 -0.01 0.00 -0.15 0.00 0.00 55.06 54.38 3hkv s HIS 1000Cb 0.05 -0.10 0.00 0.00 1.11 0.00 0.00 32.58 33.64 3hkv s HIS 1000CO 0.46 -0.30 -0.13 -1.17 -0.85 0.00 0.00 174.74 172.75 3hkv s LEU 1001N -1.69 2.53 -0.29 0.89 2.96 0.20 -0.40 118.68 122.88 3hkv s LEU 1001Ca -0.11 -0.49 -0.11 0.00 -0.22 0.00 0.00 54.13 53.20 3hkv s LEU 1001Cb -0.05 -1.60 -0.03 0.00 0.50 0.00 0.00 46.19 45.00 3hkv s LEU 1001CO -0.01 0.02 0.17 -0.63 -1.32 0.00 0.00 176.35 174.58 3hkv s ILE 1002N 1.20 5.04 -0.21 6.68 1.01 0.21 -0.86 121.20 134.26 3hkv s ILE 1002Ca 0.02 -0.04 -0.12 0.00 0.00 0.00 0.00 60.65 60.51 3hkv s ILE 1002Cb -0.14 -3.45 -0.05 0.00 0.01 0.00 0.00 42.46 38.83 3hkv s ILE 1002CO -0.05 0.20 0.24 -0.89 0.00 0.00 0.00 174.94 174.43 3hkv s THR 1003N 1.71 5.32 0.27 2.92 2.01 0.39 -0.90 115.64 127.35 3hkv s THR 1003Ca 0.06 0.37 0.02 0.00 0.31 0.00 0.00 61.69 62.46 3hkv s THR 1003Cb -0.16 -3.57 -0.04 0.00 0.01 0.00 0.00 72.50 68.73 3hkv s THR 1003CO 0.09 0.34 0.16 0.00 -0.69 0.00 0.00 174.62 174.52 3hkv s GLU 1005N -3.90 0.70 0.13 0.00 -1.05 0.10 0.16 118.70 114.85 3hkv s GLU 1005Ca 0.38 -0.38 -0.31 0.00 -0.15 0.00 0.00 54.97 54.51 3hkv s GLU 1005Cb 0.06 0.30 -0.09 0.00 -0.44 0.00 0.00 34.13 33.96 3hkv s GLU 1005CO 0.17 -0.20 1.48 -1.01 0.95 0.00 0.00 175.26 176.64 3hkv s HIS 1006N -1.92 3.13 -0.12 4.83 3.76 -1.26 -0.00 115.29 123.71 3hkv s HIS 1006Ca -0.10 0.78 -0.04 0.00 -0.15 0.00 0.00 55.06 55.56 3hkv s HIS 1006Cb -0.03 -3.80 0.05 0.00 1.11 0.00 0.00 32.58 29.90 3hkv s HIS 1006CO 0.00 -2.90 0.08 0.14 -0.85 0.00 0.00 174.74 171.21 3hkv s VAL 1007N 1.19 -0.09 0.00 -0.90 -7.23 -0.40 -4.89 120.40 108.09 3hkv s VAL 1007Ca 0.67 0.07 0.00 0.00 -1.81 0.00 0.00 61.98 60.91 3hkv s VAL 1007Cb -0.40 -0.41 0.00 0.00 0.56 0.00 0.00 36.38 36.13 3hkv s VAL 1007CO 0.31 -0.10 0.00 -2.65 -0.31 0.00 0.00 175.10 172.35