#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hkv s ASN 818 N 0.00 7.52 0.04 -0.99 2.47 -1.26 -4.96 114.94 117.77 3hkv s ASN 818 Ca 0.00 1.96 0.22 0.00 0.42 0.00 0.00 52.86 55.46 3hkv s ASN 818 Cb 0.00 -2.61 -0.21 0.00 -1.45 0.00 0.00 41.25 36.98 3hkv s ASN 818 CO 0.00 0.02 0.66 0.59 -3.72 0.00 0.00 177.10 174.65 3hkv n ASN 819 N 1.90 0.33 -4.12 -4.21 3.02 -1.26 -4.90 115.26 106.02 3hkv n ASN 819 Ca -0.00 0.13 -0.28 0.00 -0.03 0.00 0.00 54.58 54.40 3hkv n ASN 819 Cb 0.47 1.33 -0.17 0.00 -0.61 0.00 0.00 39.78 40.81 3hkv n ASN 819 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3hkv s LEU 820 N -4.92 1.85 -0.12 3.41 1.43 -1.26 -0.65 118.68 118.41 3hkv s LEU 820 Ca -0.05 -0.41 -0.01 0.00 -1.03 0.00 0.00 54.13 52.62 3hkv s LEU 820 Cb 0.12 -1.08 0.04 0.00 0.03 0.00 0.00 46.19 45.29 3hkv s LEU 820 CO 0.86 0.10 -0.01 -0.70 0.23 0.00 0.00 176.35 176.83 3hkv s GLU 821 N 0.47 0.89 0.20 1.70 2.12 -0.41 -4.94 118.70 118.73 3hkv s GLU 821 Ca -0.15 -0.18 -0.31 0.00 0.36 0.00 0.00 54.97 54.69 3hkv s GLU 821 Cb -0.16 -1.52 -0.10 0.00 0.26 0.00 0.00 34.13 32.61 3hkv s GLU 821 CO 0.06 -0.41 1.47 0.50 -0.54 0.00 0.00 175.26 176.34 3hkv s ARG 822 N 1.85 4.27 0.03 4.30 3.52 -1.26 -0.53 118.95 131.12 3hkv s ARG 822 Ca 0.03 2.27 -0.17 0.00 -0.13 0.00 0.00 55.73 57.74 3hkv s ARG 822 Cb -0.14 -3.15 -0.06 0.00 -1.56 0.00 0.00 34.95 30.04 3hkv s ARG 822 CO -0.07 -0.47 0.47 -0.51 -0.81 0.00 0.00 175.30 173.91 3hkv s LEU 823 N 0.34 4.49 0.38 -0.88 1.43 -0.17 -4.89 118.68 119.38 3hkv s LEU 823 Ca 0.63 1.08 -0.26 0.00 -1.03 0.00 0.00 54.13 54.55 3hkv s LEU 823 Cb -0.41 -2.71 -0.09 0.00 0.03 0.00 0.00 46.19 43.01 3hkv s LEU 823 CO 0.37 0.30 1.19 0.00 0.23 0.00 0.00 176.35 178.44 3hkv s ALA 824 N -1.06 3.23 0.42 4.21 0.00 -1.26 -4.68 121.76 122.61 3hkv s ALA 824 Ca 0.26 1.01 0.08 0.00 0.00 0.00 0.00 51.96 53.31 3hkv s ALA 824 Cb -0.18 -3.39 0.90 0.00 0.00 0.00 0.00 23.12 20.45 3hkv s ALA 824 CO 0.15 -0.53 2.06 0.93 0.00 0.00 0.00 175.76 178.38 3hkv h GLU 825 N 2.84 0.49 -2.29 0.00 5.08 -1.97 -3.14 114.58 115.58 3hkv h GLU 825 Ca -0.49 -0.03 -0.74 0.00 -1.00 0.00 0.00 59.36 57.10 3hkv h GLU 825 Cb 1.23 -0.11 -0.21 0.00 0.50 0.00 0.00 28.75 30.16 3hkv h GLU 825 CO 0.63 0.33 1.38 -1.71 -1.00 0.00 0.00 179.01 178.64 3hkv n ASN 826 N -4.48 7.49 -4.17 1.42 5.15 -1.26 -4.50 115.26 114.91 3hkv n ASN 826 Ca 0.03 -3.48 -0.14 0.00 -0.60 0.00 0.00 54.58 50.39 3hkv n ASN 826 Cb 0.08 -1.22 -0.11 0.00 -0.53 0.00 0.00 39.78 38.00 3hkv n ASN 826 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 3hkv s THR 827 N -3.20 0.92 0.30 -0.44 -4.23 -1.19 -5.04 115.64 102.76 3hkv s THR 827 Ca 0.48 -1.64 -0.00 0.00 -1.18 0.00 0.00 61.69 59.36 3hkv s THR 827 Cb 0.25 -1.35 0.19 0.00 1.34 0.00 0.00 72.50 72.93 3hkv s THR 827 CO -0.18 -0.57 1.88 1.23 -0.54 0.00 0.00 174.62 176.45 3hkv h GLY 828 N 3.56 0.89 0.62 3.99 0.00 -1.90 -2.06 103.07 108.17 3hkv h GLY 828 Ca -0.37 -0.45 -0.03 0.00 0.00 0.00 0.00 47.33 46.47 3hkv h GLY 828 CO 0.53 0.43 -0.07 -2.09 0.00 0.00 0.00 176.54 175.34 3hkv h GLU 829 N 0.82 0.17 -0.44 4.80 4.81 -1.95 -0.19 114.58 122.59 3hkv h GLU 829 Ca 0.19 -0.09 0.07 0.00 -0.13 0.00 0.00 59.36 59.40 3hkv h GLU 829 Cb 0.18 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.50 3hkv h GLU 829 CO -0.02 0.61 0.11 0.35 -0.73 0.00 0.00 179.01 179.33 3hkv h PHE 830 N -0.27 0.18 -0.22 0.92 3.57 -1.78 -1.79 116.94 117.55 3hkv h PHE 830 Ca 0.01 0.03 -0.17 0.00 3.53 0.00 0.00 57.97 61.37 3hkv h PHE 830 Cb 0.58 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.30 3hkv h PHE 830 CO 0.09 0.03 -0.53 1.96 -2.23 0.00 0.00 178.31 177.63 3hkv h GLN 831 N 0.25 0.65 -0.30 1.11 4.20 -1.10 -1.66 115.11 118.26 3hkv h GLN 831 Ca 0.22 -0.40 -0.01 0.00 0.06 0.00 0.00 58.65 58.51 3hkv h GLN 831 Cb 0.26 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 3hkv h GLN 831 CO -0.27 1.02 0.13 1.49 -0.67 0.00 0.00 178.83 180.53 3hkv h GLU 832 N 0.50 0.44 -0.65 1.46 4.81 -0.85 -1.08 114.58 119.22 3hkv h GLU 832 Ca 0.01 -0.07 0.02 0.00 -0.13 0.00 0.00 59.36 59.19 3hkv h GLU 832 Cb 1.09 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 30.36 3hkv h GLU 832 CO 0.11 0.44 0.42 0.28 -0.73 0.00 0.00 179.01 179.52 3hkv h VAL 833 N 0.34 1.13 -0.18 0.32 2.07 -1.18 -2.50 116.25 116.25 3hkv h VAL 833 Ca 0.10 -0.29 -0.15 0.00 0.82 0.00 0.00 66.70 67.18 3hkv h VAL 833 Cb 0.15 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.13 3hkv h VAL 833 CO -0.01 0.15 -0.51 0.58 0.02 0.00 0.00 177.57 177.81 3hkv h VAL 834 N 0.84 1.32 -0.32 2.57 2.07 -1.15 -2.22 116.25 119.38 3hkv h VAL 834 Ca 0.25 -1.74 -0.02 0.00 0.82 0.00 0.00 66.70 66.01 3hkv h VAL 834 Cb -0.05 1.74 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 3hkv h VAL 834 CO -0.07 0.54 0.14 0.03 0.02 0.00 0.00 177.57 178.22 3hkv h ARG 835 N 0.39 0.47 -0.58 1.57 3.08 -1.08 -0.43 114.38 117.80 3hkv h ARG 835 Ca 0.02 -0.08 -0.03 0.00 0.07 0.00 0.00 59.98 59.96 3hkv h ARG 835 Cb 1.03 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.97 3hkv h ARG 835 CO 0.09 0.45 0.25 0.00 -1.07 0.00 0.00 179.97 179.70 3hkv h ALA 836 N 0.99 1.36 0.35 0.04 0.00 -1.34 0.07 119.26 120.73 3hkv h ALA 836 Ca 0.11 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3hkv h ALA 836 Cb 0.15 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3hkv h ALA 836 CO -0.01 0.49 -0.17 0.35 0.00 0.00 0.00 179.25 179.91 3hkv h PHE 837 N 0.82 -0.44 -0.46 0.00 3.57 -1.00 -3.07 116.94 116.36 3hkv h PHE 837 Ca 0.20 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.63 3hkv h PHE 837 Cb 0.12 0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.99 3hkv h PHE 837 CO 0.01 -0.15 0.05 1.88 -2.23 0.00 0.00 178.31 177.87 3hkv h TYR 838 N -0.69 0.75 -0.25 0.41 -1.99 -0.91 -2.64 116.97 111.65 3hkv h TYR 838 Ca -0.05 -0.08 0.07 0.00 2.00 0.00 0.00 58.73 60.67 3hkv h TYR 838 Cb 0.48 -0.21 -0.01 0.00 2.00 0.00 0.00 36.73 38.99 3hkv h TYR 838 CO -0.00 0.67 0.20 -0.44 -0.00 0.00 0.00 178.16 178.59 3hkv h ASP 839 N 0.69 0.00 -0.17 3.88 5.19 -0.93 -2.05 116.42 123.03 3hkv h ASP 839 Ca 0.15 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.53 3hkv h ASP 839 Cb 0.34 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.84 3hkv h ASP 839 CO 0.01 0.00 -0.05 0.35 -3.12 0.00 0.00 179.24 176.43 3hkv n THR 840 N -4.26 2.20 0.32 0.35 -2.24 -1.02 -4.58 114.28 105.05 3hkv n THR 840 Ca 0.03 -2.26 0.12 0.00 -2.27 0.00 0.00 64.05 59.67 3hkv n THR 840 Cb 0.35 -0.26 0.16 0.00 -2.10 0.00 0.00 70.33 68.47 3hkv n THR 840 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3hkv h LEU 841 N 1.01 0.00 0.00 3.22 5.85 -1.10 -0.43 115.31 123.86 3hkv h LEU 841 Ca 0.04 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3hkv h LEU 841 Cb 1.30 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.33 3hkv h LEU 841 CO 0.16 0.02 0.00 0.47 -0.34 0.00 0.00 178.44 178.75 3hkv n ASP 842 N -2.66 0.00 0.23 1.25 8.00 -1.26 -1.87 116.55 120.24 3hkv n ASP 842 Ca 0.03 0.00 0.16 0.00 0.71 0.00 0.00 54.79 55.68 3hkv n ASP 842 Cb 0.50 0.00 0.82 0.00 -0.02 0.00 0.00 41.12 42.42 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 -0.88 1.80 0.00 2.24 0.00 -1.98 -0.95 119.26 119.49 3hkv h ALA 843 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3hkv h ALA 843 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3hkv h ALA 843 CO 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 179.25 179.06 3hkv n ALA 844 N -2.38 1.97 -0.32 0.00 0.00 -0.78 -4.05 120.51 114.95 3hkv n ALA 844 Ca 0.00 -0.05 0.20 0.00 0.00 0.00 0.00 53.44 53.60 3hkv n ALA 844 Cb 0.24 -1.37 0.40 0.00 0.00 0.00 0.00 19.45 18.73 3hkv n ALA 844 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hkv h ARG 845 N 0.00 0.12 0.00 0.00 3.08 -1.25 -0.57 114.38 115.77 3hkv h ARG 845 Ca 0.00 -0.01 -0.05 0.00 0.07 0.00 0.00 59.98 59.99 3hkv h ARG 845 Cb 0.41 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 3hkv h ARG 845 CO 0.00 0.08 -0.25 0.77 -1.07 0.00 0.00 179.97 179.51 3hkv h SER 846 N 0.13 0.00 -0.06 7.04 0.02 -1.82 -3.34 113.55 115.52 3hkv h SER 846 Ca 0.68 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.63 3hkv h SER 846 Cb 1.55 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.09 3hkv h SER 846 CO -0.74 0.25 0.00 -1.20 -1.14 0.00 0.00 176.83 173.99 3hkv n SER 847 N -3.40 1.76 -4.22 3.07 7.64 -0.25 -4.96 113.62 113.26 3hkv n SER 847 Ca 0.00 -1.46 -0.33 0.00 1.01 0.00 0.00 58.87 58.09 3hkv n SER 847 Cb 0.45 -0.03 -0.16 0.00 -1.01 0.00 0.00 64.21 63.45 3hkv n SER 847 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3hkv s ILE 848 N -0.62 2.26 -0.12 0.44 -1.09 -1.04 -1.35 121.20 119.67 3hkv s ILE 848 Ca 0.08 -0.92 -0.01 0.00 -2.23 0.00 0.00 60.65 57.56 3hkv s ILE 848 Cb 0.05 -1.91 -0.02 0.00 -1.58 0.00 0.00 42.46 39.00 3hkv s ILE 848 CO 0.07 0.54 -0.09 -0.60 -1.23 0.00 0.00 174.94 173.63 3hkv s ARG 849 N 0.65 3.34 -0.17 2.79 3.52 -0.08 -4.95 118.95 124.05 3hkv s ARG 849 Ca -0.10 -0.61 -0.29 0.00 -0.13 0.00 0.00 55.73 54.59 3hkv s ARG 849 Cb -0.16 -2.70 -0.00 0.00 -1.56 0.00 0.00 34.95 30.52 3hkv s ARG 849 CO 0.02 0.31 1.09 0.08 -0.81 0.00 0.00 175.30 175.99 3hkv s VAL 850 N 0.12 4.59 -0.09 7.11 1.01 -1.26 -0.36 120.40 131.53 3hkv s VAL 850 Ca -0.04 1.90 -0.10 0.00 0.00 0.00 0.00 61.98 63.74 3hkv s VAL 850 Cb -0.14 -4.22 -0.28 0.00 0.00 0.00 0.00 36.38 31.73 3hkv s VAL 850 CO 0.04 -0.11 0.52 0.58 0.00 0.00 0.00 175.10 176.13 3hkv h VAL 851 N 5.32 0.82 -1.94 2.92 2.07 -0.88 -3.49 116.25 121.08 3hkv h VAL 851 Ca -0.25 -2.42 -0.03 0.00 0.82 0.00 0.00 66.70 64.82 3hkv h VAL 851 Cb 1.10 2.64 -0.21 0.00 -1.52 0.00 0.00 31.29 33.30 3hkv h VAL 851 CO 0.94 0.85 0.21 -0.60 0.02 0.00 0.00 177.57 178.98 3hkv s ARG 852 N -2.55 0.89 -0.06 1.57 3.52 -1.10 -5.02 118.95 116.19 3hkv s ARG 852 Ca -0.19 0.60 0.04 0.00 -0.13 0.00 0.00 55.73 56.05 3hkv s ARG 852 Cb 0.06 0.43 -0.00 0.00 -1.56 0.00 0.00 34.95 33.87 3hkv s ARG 852 CO 0.80 -0.20 -0.19 0.08 -0.81 0.00 0.00 175.30 174.99 3hkv s VAL 853 N -0.39 1.60 0.01 7.11 1.01 -1.26 -1.32 120.40 127.15 3hkv s VAL 853 Ca -0.04 -0.79 0.08 0.00 0.00 0.00 0.00 61.98 61.23 3hkv s VAL 853 Cb -0.03 -1.38 -0.02 0.00 0.00 0.00 0.00 36.38 34.95 3hkv s VAL 853 CO 0.04 0.46 -0.24 -1.61 0.00 0.00 0.00 175.10 173.74 3hkv s GLU 854 N 0.19 1.84 0.06 2.72 2.02 -0.34 -1.00 118.70 124.19 3hkv s GLU 854 Ca -0.09 -0.95 -0.28 0.00 0.02 0.00 0.00 54.97 53.68 3hkv s GLU 854 Cb -0.14 -1.87 -0.05 0.00 0.10 0.00 0.00 34.13 32.17 3hkv s GLU 854 CO 0.04 0.50 0.87 0.50 0.02 0.00 0.00 175.26 177.19 3hkv s ARG 855 N -0.84 4.58 -0.14 1.61 3.52 0.31 -0.67 118.95 127.32 3hkv s ARG 855 Ca 0.10 1.26 -0.09 0.00 -0.13 0.00 0.00 55.73 56.88 3hkv s ARG 855 Cb -0.09 -3.39 -0.04 0.00 -1.56 0.00 0.00 34.95 29.86 3hkv s ARG 855 CO 0.00 0.19 0.15 0.08 -0.81 0.00 0.00 175.30 174.92 3hkv s VAL 856 N 0.19 5.45 -0.09 7.11 1.01 -0.11 -1.28 120.40 132.67 3hkv s VAL 856 Ca 0.44 0.25 0.01 0.00 0.00 0.00 0.00 61.98 62.67 3hkv s VAL 856 Cb -0.22 -3.45 0.02 0.00 0.00 0.00 0.00 36.38 32.74 3hkv s VAL 856 CO 0.26 0.55 -0.08 -0.55 0.00 0.00 0.00 175.10 175.27 3hkv s SER 857 N -0.48 1.91 -0.41 3.32 0.15 0.17 -4.70 113.70 113.66 3hkv s SER 857 Ca 0.13 -0.27 0.04 0.00 0.70 0.00 0.00 55.95 56.55 3hkv s SER 857 Cb -0.12 -0.78 0.17 0.00 -1.71 0.00 0.00 66.02 63.58 3hkv s SER 857 CO 0.02 -0.07 0.43 -2.28 1.20 0.00 0.00 173.24 172.55 3hkv s HIS 858 N 1.32 -0.16 0.24 3.44 2.46 -1.26 -4.69 115.29 116.63 3hkv s HIS 858 Ca -0.03 -1.21 -0.05 0.00 0.47 0.00 0.00 55.06 54.25 3hkv s HIS 858 Cb -0.14 -0.41 0.36 0.00 -0.13 0.00 0.00 32.58 32.26 3hkv s HIS 858 CO -0.04 -0.99 1.82 -1.35 -2.47 0.00 0.00 174.74 171.72 3hkv h PRO 859 N 6.26 0.82 -0.07 2.88 0.11 -1.98 0.25 132.00 140.27 3hkv h PRO 859 Ca 0.12 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.16 3hkv h PRO 859 Cb 1.03 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 31.95 3hkv h PRO 859 CO 0.21 0.54 -0.00 1.25 -0.21 0.00 0.00 178.00 179.79 3hkv h LEU 860 N 0.84 0.12 -1.29 2.35 5.85 -2.00 -2.06 115.31 119.12 3hkv h LEU 860 Ca 0.38 -0.31 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 3hkv h LEU 860 Cb 0.28 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 3hkv h LEU 860 CO -0.21 0.41 0.26 0.25 -0.34 0.00 0.00 178.44 178.80 3hkv h LEU 861 N -0.17 0.66 -0.55 2.25 5.85 -1.89 -1.14 115.31 120.33 3hkv h LEU 861 Ca 0.02 -0.06 -0.06 0.00 0.84 0.00 0.00 57.88 58.63 3hkv h LEU 861 Cb 0.34 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 3hkv h LEU 861 CO 0.00 0.57 0.13 -0.61 -0.34 0.00 0.00 178.44 178.19 3hkv h GLN 862 N 0.74 0.89 -0.42 1.25 4.15 -0.77 0.75 115.11 121.70 3hkv h GLN 862 Ca 0.19 -0.22 -0.11 0.00 0.77 0.00 0.00 58.65 59.28 3hkv h GLN 862 Cb 0.07 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 27.63 3hkv h GLN 862 CO -0.03 0.84 -0.18 1.96 -1.93 0.00 0.00 178.83 179.49 3hkv h GLN 863 N 0.79 0.81 -0.54 1.69 4.20 -0.82 -0.34 115.11 120.90 3hkv h GLN 863 Ca 0.17 -0.31 -0.07 0.00 0.06 0.00 0.00 58.65 58.51 3hkv h GLN 863 Cb 0.35 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.06 3hkv h GLN 863 CO 0.00 0.93 0.08 1.96 -0.67 0.00 0.00 178.83 181.13 3hkv h GLN 864 N 0.72 0.90 -0.50 1.46 4.20 -0.83 -2.14 115.11 118.92 3hkv h GLN 864 Ca 0.11 -0.25 0.01 0.00 0.06 0.00 0.00 58.65 58.58 3hkv h GLN 864 Cb 0.69 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 28.34 3hkv h GLN 864 CO 0.05 0.88 0.33 -0.92 -0.67 0.00 0.00 178.83 178.50 3hkv h TYR 865 N 0.79 0.61 -0.51 2.96 3.20 -0.76 -2.27 116.97 121.00 3hkv h TYR 865 Ca 0.16 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.00 3hkv h TYR 865 Cb 0.42 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.46 3hkv h TYR 865 CO 0.03 0.38 0.13 0.93 -1.64 0.00 0.00 178.16 177.99 3hkv h GLU 866 N 0.66 0.77 -0.62 1.82 5.08 -0.91 0.44 114.58 121.82 3hkv h GLU 866 Ca 0.19 -0.14 -0.07 0.00 -1.00 0.00 0.00 59.36 58.33 3hkv h GLU 866 Cb -0.05 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.05 3hkv h GLU 866 CO -0.05 0.69 0.10 -0.07 -1.00 0.00 0.00 179.01 178.67 3hkv h LEU 867 N 0.75 0.98 -0.41 1.33 3.38 -1.17 -1.05 115.31 119.13 3hkv h LEU 867 Ca 0.17 -0.26 -0.07 0.00 0.09 0.00 0.00 57.88 57.81 3hkv h LEU 867 Cb 0.26 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3hkv h LEU 867 CO -0.00 1.00 -0.01 0.22 0.09 0.00 0.00 178.44 179.73 3hkv h TYR 868 N 0.93 0.79 -0.34 1.13 -0.00 -0.97 -2.31 116.97 116.20 3hkv h TYR 868 Ca 0.19 -0.14 0.01 0.00 -0.00 0.00 0.00 58.73 58.79 3hkv h TYR 868 Cb 0.43 -0.21 -0.02 0.00 -0.00 0.00 0.00 36.73 36.93 3hkv h TYR 868 CO 0.03 0.80 0.20 -0.09 -0.00 0.00 0.00 178.16 179.11 3hkv h ARG 869 N 0.56 0.40 -0.19 1.82 2.43 -0.76 -0.82 114.38 117.82 3hkv h ARG 869 Ca 0.11 -0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.29 3hkv h ARG 869 Cb 0.49 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.93 3hkv h ARG 869 CO 0.02 0.27 0.02 1.49 -1.51 0.00 0.00 179.97 180.26 3hkv h GLU 870 N 0.41 0.09 -0.95 0.20 4.81 -1.08 0.12 114.58 118.19 3hkv h GLU 870 Ca 0.14 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.38 3hkv h GLU 870 Cb -0.00 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.31 3hkv h GLU 870 CO -0.06 0.06 0.62 0.00 -0.73 0.00 0.00 179.01 178.90 3hkv h ARG 871 N 0.09 1.20 -0.31 1.92 2.47 -1.09 -1.69 114.38 116.98 3hkv h ARG 871 Ca 0.09 -0.07 -0.18 0.00 -1.26 0.00 0.00 59.98 58.55 3hkv h ARG 871 Cb 0.09 -0.27 -0.00 0.00 -1.65 0.00 0.00 29.97 28.14 3hkv h ARG 871 CO -0.13 0.79 -0.52 1.25 0.56 0.00 0.00 179.97 181.92 3hkv h LEU 872 N 1.23 0.99 -1.16 3.04 5.85 -0.66 -1.36 115.31 123.24 3hkv h LEU 872 Ca 0.36 -0.52 -0.05 0.00 0.84 0.00 0.00 57.88 58.52 3hkv h LEU 872 Cb -0.06 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.67 3hkv h LEU 872 CO -0.10 1.32 0.06 -0.07 -0.34 0.00 0.00 178.44 179.32 3hkv h LEU 873 N 0.70 0.60 -0.35 2.25 3.38 -0.74 0.34 115.31 121.48 3hkv h LEU 873 Ca 0.02 -0.11 -0.17 0.00 0.09 0.00 0.00 57.88 57.71 3hkv h LEU 873 Cb 1.13 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.72 3hkv h LEU 873 CO 0.12 0.63 -0.47 1.56 0.09 0.00 0.00 178.44 180.36 3hkv h GLN 874 N 0.62 0.90 0.16 1.13 4.20 -1.12 -3.34 115.11 117.66 3hkv h GLN 874 Ca 0.14 -0.52 -0.30 0.00 0.06 0.00 0.00 58.65 58.03 3hkv h GLN 874 Cb 0.30 0.04 0.01 0.00 0.30 0.00 0.00 27.48 28.13 3hkv h GLN 874 CO 0.00 1.17 -1.38 -0.09 -0.67 0.00 0.00 178.83 177.87 3hkv h ARG 875 N 0.71 0.33 -5.94 1.46 2.43 -1.01 -3.45 114.38 108.90 3hkv h ARG 875 Ca 0.04 -0.56 -0.58 0.00 -0.81 0.00 0.00 59.98 58.07 3hkv h ARG 875 Cb 1.08 0.21 -0.06 0.00 -0.42 0.00 0.00 29.97 30.77 3hkv h ARG 875 CO 0.11 1.25 -0.10 0.00 -1.51 0.00 0.00 179.97 179.71 3hkv h GLU 877 N 5.80 0.00 -7.22 0.00 4.22 -1.88 -3.45 114.58 112.05 3hkv h GLU 877 Ca -0.45 0.00 -0.50 0.00 0.08 0.00 0.00 59.36 58.49 3hkv h GLU 877 Cb 1.20 0.00 0.05 0.00 0.50 0.00 0.00 28.75 30.50 3hkv h GLU 877 CO 0.70 0.46 0.32 1.03 -2.18 0.00 0.00 179.01 179.34 3hkv s ARG 878 N -2.77 3.56 0.03 1.92 0.52 -1.26 -5.09 118.95 115.85 3hkv s ARG 878 Ca -0.03 0.56 -0.03 0.00 -0.52 0.00 0.00 55.73 55.71 3hkv s ARG 878 Cb 0.08 -2.18 -0.02 0.00 0.52 0.00 0.00 34.95 33.36 3hkv s ARG 878 CO 0.81 -0.46 0.03 1.03 0.02 0.00 0.00 175.30 176.73 3hkv s ARG 879 N -5.04 0.46 0.42 3.54 1.81 -1.26 -4.53 118.95 114.36 3hkv s ARG 879 Ca 0.53 -0.71 -0.16 0.00 -1.72 0.00 0.00 55.73 53.66 3hkv s ARG 879 Cb -0.11 0.17 -0.09 0.00 -0.45 0.00 0.00 34.95 34.48 3hkv s ARG 879 CO 0.51 -0.10 0.87 -1.25 -0.68 0.00 0.00 175.30 174.65 3hkv s PRO 880 N -2.15 4.00 0.14 3.54 0.04 -1.26 -5.11 135.00 134.21 3hkv s PRO 880 Ca -0.09 0.83 0.22 0.00 0.04 0.00 0.00 61.00 62.00 3hkv s PRO 880 Cb -0.04 -2.27 -0.08 0.00 0.04 0.00 0.00 34.50 32.15 3hkv s PRO 880 CO -0.03 -0.06 0.91 0.28 0.04 0.00 0.00 177.00 178.14 3hkv n VAL 881 N -0.99 0.57 -4.82 -0.36 0.31 -1.26 -4.64 118.33 107.13 3hkv n VAL 881 Ca 0.05 -0.56 -0.25 0.00 -0.01 0.00 0.00 64.34 63.58 3hkv n VAL 881 Cb 0.54 -0.31 -0.15 0.00 -0.91 0.00 0.00 33.84 33.00 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 -3.35 1.44 0.03 5.55 2.12 -1.26 -1.05 118.70 122.18 3hkv s GLU 882 Ca -0.02 -0.61 0.01 0.00 0.36 0.00 0.00 54.97 54.71 3hkv s GLU 882 Cb 0.10 -1.37 -0.02 0.00 0.26 0.00 0.00 34.13 33.10 3hkv s GLU 882 CO 0.81 0.35 -0.06 -0.65 -0.54 0.00 0.00 175.26 175.18 3hkv s GLN 883 N -0.35 0.42 -0.20 4.30 -0.21 -0.30 -4.94 119.66 118.38 3hkv s GLN 883 Ca 0.05 -0.61 -0.25 0.00 0.02 0.00 0.00 55.36 54.56 3hkv s GLN 883 Cb -0.07 -0.16 -0.01 0.00 1.00 0.00 0.00 33.01 33.77 3hkv s GLN 883 CO -0.00 0.02 0.85 0.08 -2.12 0.00 0.00 175.29 174.12 3hkv s VAL 884 N -1.21 4.85 0.21 1.09 1.01 -1.26 -0.68 120.40 124.41 3hkv s VAL 884 Ca -0.10 1.65 0.01 0.00 0.00 0.00 0.00 61.98 63.54 3hkv s VAL 884 Cb -0.09 -4.15 -0.05 0.00 0.00 0.00 0.00 36.38 32.10 3hkv s VAL 884 CO -0.00 -0.02 0.05 -0.76 0.00 0.00 0.00 175.10 174.36 3hkv s LEU 885 N 2.44 1.87 0.03 3.92 1.43 0.12 -4.89 118.68 123.60 3hkv s LEU 885 Ca 0.38 -1.27 0.03 0.00 -1.03 0.00 0.00 54.13 52.24 3hkv s LEU 885 Cb -0.16 0.01 -0.04 0.00 0.03 0.00 0.00 46.19 46.03 3hkv s LEU 885 CO 0.10 -0.65 -0.02 -0.31 0.23 0.00 0.00 176.35 175.70 3hkv s TYR 886 N -3.73 2.98 -0.23 0.29 2.02 0.54 -0.54 117.35 118.68 3hkv s TYR 886 Ca 0.30 0.01 -0.04 0.00 -0.37 0.00 0.00 57.07 56.97 3hkv s TYR 886 Cb 0.07 -1.60 0.08 0.00 -0.40 0.00 0.00 41.96 40.11 3hkv s TYR 886 CO 0.08 0.44 0.10 -1.58 -1.57 0.00 0.00 175.55 173.02 3hkv s HIS 887 N -1.14 0.50 0.33 2.71 5.65 -0.56 -0.44 115.29 122.34 3hkv s HIS 887 Ca 0.21 -0.75 -0.27 0.00 0.25 0.00 0.00 55.06 54.50 3hkv s HIS 887 Cb -0.11 -0.92 -0.09 0.00 -1.18 0.00 0.00 32.58 30.28 3hkv s HIS 887 CO 0.12 -0.68 1.08 0.20 -0.65 0.00 0.00 174.74 174.80 3hkv s GLY 888 N 2.03 2.94 0.35 1.59 0.00 -1.26 -0.76 107.32 112.21 3hkv s GLY 888 Ca 0.05 0.82 0.02 0.00 0.00 0.00 0.00 44.72 45.61 3hkv s GLY 888 CO -0.21 1.35 0.40 -1.08 0.00 0.00 0.00 173.10 173.56 3hkv s THR 889 N -1.36 0.00 0.34 0.90 -1.32 -0.44 -4.64 115.64 109.13 3hkv s THR 889 Ca 0.50 -1.77 -0.11 0.00 -1.21 0.00 0.00 61.69 59.10 3hkv s THR 889 Cb -0.28 -2.60 -0.07 0.00 -1.51 0.00 0.00 72.50 68.04 3hkv s THR 889 CO 0.36 0.00 0.69 0.42 -2.21 0.00 0.00 174.62 173.88 3hkv s THR 890 N -3.15 4.82 0.25 5.08 -4.23 -1.26 -3.98 115.64 113.17 3hkv s THR 890 Ca 0.35 0.59 -0.04 0.00 -1.18 0.00 0.00 61.69 61.41 3hkv s THR 890 Cb 0.01 -3.68 0.24 0.00 1.34 0.00 0.00 72.50 70.40 3hkv s THR 890 CO 0.24 -0.33 1.69 0.00 -0.54 0.00 0.00 174.62 175.67 3hkv h ALA 891 N 1.77 1.01 0.00 3.99 0.00 -1.92 -2.66 119.26 121.45 3hkv h ALA 891 Ca -0.47 0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.53 3hkv h ALA 891 Cb 1.18 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 3hkv h ALA 891 CO 0.65 -0.34 -0.38 -1.00 0.00 0.00 0.00 179.25 178.19 3hkv h PRO 892 N 0.29 0.00 0.00 0.00 0.13 -1.98 -2.63 132.00 127.80 3hkv h PRO 892 Ca 0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.56 3hkv h PRO 892 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 3hkv h PRO 892 CO -0.51 0.38 0.00 0.00 -0.23 0.00 0.00 178.00 177.63 3hkv n ALA 893 N -2.32 1.91 -0.02 -0.56 0.00 -1.00 -4.05 120.51 114.47 3hkv n ALA 893 Ca -0.01 0.01 -0.09 0.00 0.00 0.00 0.00 53.44 53.36 3hkv n ALA 893 Cb 0.49 -1.40 -0.03 0.00 0.00 0.00 0.00 19.45 18.51 3hkv n ALA 893 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3hkv h VAL 894 N 0.00 0.79 0.00 0.00 2.07 -1.47 -1.00 116.25 116.64 3hkv h VAL 894 Ca 0.00 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.45 3hkv h VAL 894 Cb 0.47 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 3hkv h VAL 894 CO 0.00 0.00 -0.32 1.55 0.02 0.00 0.00 177.57 178.82 3hkv h PRO 895 N -0.03 0.00 -0.29 1.57 0.13 -1.79 -1.41 132.00 130.18 3hkv h PRO 895 Ca 0.08 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.09 3hkv h PRO 895 Cb 0.16 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.28 3hkv h PRO 895 CO -0.18 0.32 -0.32 -0.44 -0.23 0.00 0.00 178.00 177.15 3hkv h ASP 896 N 0.00 0.78 -0.39 1.44 3.32 -1.67 -1.89 116.42 118.01 3hkv h ASP 896 Ca -0.00 -0.48 -0.03 0.00 0.02 0.00 0.00 57.03 56.54 3hkv h ASP 896 Cb 0.64 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.96 3hkv h ASP 896 CO 0.04 1.10 0.13 0.40 -1.72 0.00 0.00 179.24 179.19 3hkv h ILE 897 N 0.47 1.21 -0.79 0.35 2.04 -0.81 0.50 117.51 120.47 3hkv h ILE 897 Ca 0.04 -0.69 -0.02 0.00 1.00 0.00 0.00 64.86 65.19 3hkv h ILE 897 Cb 0.89 0.92 -0.04 0.00 -0.74 0.00 0.00 36.82 37.86 3hkv h ILE 897 CO 0.08 0.24 0.41 0.00 0.00 0.00 0.00 178.15 178.88 3hkv h ALA 899 N 1.34 0.34 0.00 0.00 0.00 -1.08 -3.41 119.26 116.45 3hkv h ALA 899 Ca 0.28 -0.88 0.00 0.00 0.00 0.00 0.00 54.91 54.31 3hkv h ALA 899 Cb 0.06 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3hkv h ALA 899 CO -0.04 1.15 0.00 0.72 0.00 0.00 0.00 179.25 181.08 3hkv n HIS 900 N -3.43 0.00 -4.11 0.00 8.25 0.17 -5.07 115.22 111.03 3hkv n HIS 900 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 3hkv n HIS 900 Cb 0.93 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.04 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 0.07 -1.70 3.75 -1.41 0.00 0.15 -4.86 105.19 101.19 3hkv n GLY 901 Ca 0.00 -1.34 -0.37 0.00 0.00 0.00 0.00 46.02 44.32 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 0.00 3.52 0.11 1.61 0.08 -1.26 -4.33 117.98 117.71 3hkv s PHE 902 Ca 0.00 0.70 -0.09 0.00 0.12 0.00 0.00 56.93 57.66 3hkv s PHE 902 Cb 0.00 -2.34 -0.00 0.00 -0.57 0.00 0.00 43.02 40.11 3hkv s PHE 902 CO 0.00 0.32 0.22 -0.80 -0.10 0.00 0.00 175.22 174.86 3hkv s ASN 903 N 0.15 0.09 0.33 1.36 0.01 -1.26 -4.55 114.94 111.08 3hkv s ASN 903 Ca 0.19 -0.69 0.17 0.00 -0.71 0.00 0.00 52.86 51.82 3hkv s ASN 903 Cb -0.14 0.36 0.49 0.00 0.41 0.00 0.00 41.25 42.38 3hkv s ASN 903 CO 0.06 -0.77 1.64 0.03 -1.51 0.00 0.00 177.10 176.56 3hkv h ARG 904 N 2.69 0.00 0.01 -0.60 3.08 -1.90 -2.63 114.38 115.04 3hkv h ARG 904 Ca -0.34 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.49 3hkv h ARG 904 Cb 1.21 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.23 3hkv h ARG 904 CO 0.54 0.45 -1.09 1.03 -1.07 0.00 0.00 179.97 179.83 3hkv h SER 905 N 0.00 0.04 0.00 7.04 0.87 -1.93 -3.36 113.55 116.21 3hkv h SER 905 Ca -0.00 -0.05 -0.08 0.00 -1.23 0.00 0.00 61.79 60.43 3hkv h SER 905 Cb 1.05 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.98 3hkv h SER 905 CO 0.06 1.04 -1.75 0.49 -0.53 0.00 0.00 176.83 176.14 3hkv n PHE 906 N -3.34 0.00 -1.50 2.24 3.72 -1.26 -4.96 117.46 112.36 3hkv n PHE 906 Ca -0.02 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.07 3hkv n PHE 906 Cb 0.96 -0.44 0.23 0.00 -0.94 0.00 0.00 39.48 39.28 3hkv n PHE 906 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3hkv s GLY 908 N -4.46 1.81 0.71 0.00 0.00 -1.26 -4.86 107.32 99.26 3hkv s GLY 908 Ca 0.74 -0.21 -0.16 0.00 0.00 0.00 0.00 44.72 45.09 3hkv s GLY 908 CO 0.55 -0.00 1.05 -2.13 0.00 0.00 0.00 173.10 172.56 3hkv n ARG 909 N -1.77 0.59 -2.09 2.90 0.63 -1.26 -4.90 116.66 110.76 3hkv n ARG 909 Ca 0.03 0.26 -0.09 0.00 -0.92 0.00 0.00 57.85 57.13 3hkv n ARG 909 Cb 0.54 -2.29 0.02 0.00 0.45 0.00 0.00 32.46 31.17 3hkv n ARG 909 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 3hkv n ASN 910 N -1.84 1.24 -3.32 6.15 3.02 -1.26 -5.10 115.26 114.14 3hkv n ASN 910 Ca 0.14 -1.69 -0.26 0.00 -0.03 0.00 0.00 54.58 52.74 3hkv n ASN 910 Cb 0.49 -0.10 0.23 0.00 -0.61 0.00 0.00 39.78 39.79 3hkv n ASN 910 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hkv n ALA 911 N -2.64 -3.55 0.00 5.41 0.00 -1.26 -5.03 120.51 113.44 3hkv n ALA 911 Ca -0.06 -1.37 0.00 0.00 0.00 0.00 0.00 53.44 52.01 3hkv n ALA 911 Cb 0.25 -0.11 0.00 0.00 0.00 0.00 0.00 19.45 19.59 3hkv n ALA 911 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 3hkv n THR 912 N -4.88 0.00 0.18 0.00 5.66 -1.26 -4.63 114.28 109.36 3hkv n THR 912 Ca 0.13 -0.10 0.13 0.00 -3.05 0.00 0.00 64.05 61.16 3hkv n THR 912 Cb 0.51 0.59 0.70 0.00 -1.55 0.00 0.00 70.33 70.58 3hkv n THR 912 CO 0.00 0.00 0.00 0.58 -3.05 0.00 0.00 175.07 172.60 3hkv h VAL 913 N 0.00 0.82 -0.17 1.08 2.07 -1.96 -1.10 116.25 116.99 3hkv h VAL 913 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3hkv h VAL 913 Cb 0.00 0.91 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 3hkv h VAL 913 CO 0.00 0.00 0.00 -1.22 0.02 0.00 0.00 177.57 176.37 3hkv n TYR 914 N -4.34 0.58 0.00 1.57 4.01 -1.26 -2.68 117.16 115.03 3hkv n TYR 914 Ca 0.01 -0.88 0.00 0.00 -0.16 0.00 0.00 57.90 56.87 3hkv n TYR 914 Cb 0.26 -0.23 0.00 0.00 -0.31 0.00 0.00 39.34 39.06 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 -0.74 3.04 3.12 2.72 0.00 -0.42 -2.86 105.19 110.06 3hkv n GLY 915 Ca 0.18 -1.99 -0.44 0.00 0.00 0.00 0.00 46.02 43.78 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 -1.19 3.91 0.00 1.61 5.02 0.28 -4.22 118.16 123.57 3hkv n LYS 916 Ca 0.00 -4.22 0.00 0.00 -2.02 0.00 0.00 58.31 52.07 3hkv n LYS 916 Cb 0.00 -2.68 0.00 0.00 -0.02 0.00 0.00 35.03 32.33 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 2.35 5.65 3.65 0.72 0.00 -1.26 -4.81 105.19 111.50 3hkv n GLY 917 Ca 0.30 -1.47 -0.35 0.00 0.00 0.00 0.00 46.02 44.50 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 0.30 4.99 -0.15 1.61 1.01 0.18 -4.64 120.40 123.70 3hkv s VAL 918 Ca 0.00 0.04 -0.13 0.00 0.00 0.00 0.00 61.98 61.89 3hkv s VAL 918 Cb 0.00 -3.27 -0.05 0.00 0.00 0.00 0.00 36.38 33.06 3hkv s VAL 918 CO 0.00 0.44 0.28 -0.31 0.00 0.00 0.00 175.10 175.51 3hkv s TYR 919 N 0.51 3.48 0.05 5.22 4.12 -1.26 -1.02 117.35 128.44 3hkv s TYR 919 Ca 0.05 0.60 0.07 0.00 0.02 0.00 0.00 57.07 57.80 3hkv s TYR 919 Cb -0.12 -2.31 -0.03 0.00 -1.52 0.00 0.00 41.96 37.98 3hkv s TYR 919 CO 0.00 0.28 -0.19 -0.06 0.02 0.00 0.00 175.55 175.61 3hkv s PHE 920 N 0.33 1.63 -0.09 2.71 0.08 0.43 -4.76 117.98 118.31 3hkv s PHE 920 Ca 0.16 -0.37 0.01 0.00 0.12 0.00 0.00 56.93 56.85 3hkv s PHE 920 Cb -0.13 -0.96 -0.02 0.00 -0.57 0.00 0.00 43.02 41.34 3hkv s PHE 920 CO 0.04 0.09 -0.10 0.00 -0.10 0.00 0.00 175.22 175.14 3hkv s ALA 921 N -0.86 2.80 0.22 5.36 0.00 0.41 -1.14 121.76 128.55 3hkv s ALA 921 Ca 0.05 -0.91 -0.04 0.00 0.00 0.00 0.00 51.96 51.06 3hkv s ALA 921 Cb -0.09 -1.18 0.20 0.00 0.00 0.00 0.00 23.12 22.05 3hkv s ALA 921 CO 0.02 0.45 1.63 -0.22 0.00 0.00 0.00 175.76 177.64 3hkv h LYS 922 N 5.78 0.75 -5.75 0.00 3.64 -1.52 0.16 116.57 119.62 3hkv h LYS 922 Ca -0.41 -0.31 -0.67 0.00 -1.27 0.00 0.00 60.65 58.00 3hkv h LYS 922 Cb 1.18 -0.03 -0.22 0.00 -0.41 0.00 0.00 32.23 32.74 3hkv h LYS 922 CO 0.54 0.91 -0.71 1.03 -2.27 0.00 0.00 179.45 178.95 3hkv s ARG 923 N -4.57 3.11 0.58 1.90 0.52 -1.26 -4.75 118.95 114.48 3hkv s ARG 923 Ca -0.09 -0.59 0.35 0.00 -0.52 0.00 0.00 55.73 54.88 3hkv s ARG 923 Cb 0.13 -2.66 1.69 0.00 0.52 0.00 0.00 34.95 34.63 3hkv s ARG 923 CO 0.83 0.44 2.11 0.00 0.02 0.00 0.00 175.30 178.71 3hkv h ALA 924 N 5.98 1.05 -0.33 2.13 0.00 -1.79 -1.96 119.26 124.34 3hkv h ALA 924 Ca -0.38 -0.03 0.10 0.00 0.00 0.00 0.00 54.91 54.59 3hkv h ALA 924 Cb 1.18 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 3hkv h ALA 924 CO 0.56 0.04 0.24 0.66 0.00 0.00 0.00 179.25 180.75 3hkv h SER 925 N 0.00 0.00 0.10 0.00 4.64 -1.28 -1.72 113.55 115.30 3hkv h SER 925 Ca -0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3hkv h SER 925 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 3hkv h SER 925 CO 0.00 0.00 -0.05 0.25 -0.87 0.00 0.00 176.83 176.17 3hkv h LEU 926 N 0.00 -0.12 -1.98 5.97 5.85 -1.64 -3.36 115.31 120.04 3hkv h LEU 926 Ca 0.16 -0.40 -0.02 0.00 0.84 0.00 0.00 57.88 58.46 3hkv h LEU 926 Cb 0.64 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.69 3hkv h LEU 926 CO -0.00 0.52 -0.11 0.28 -0.34 0.00 0.00 178.44 178.79 3hkv h SER 927 N -0.94 0.00 0.87 1.25 0.02 -1.60 -2.27 113.55 110.88 3hkv h SER 927 Ca -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 3hkv h SER 927 Cb 0.51 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.05 3hkv h SER 927 CO 0.02 0.11 0.00 0.55 -1.14 0.00 0.00 176.83 176.37 3hkv n VAL 928 N -3.81 0.48 -1.98 2.27 3.14 -0.66 -3.56 118.33 114.20 3hkv n VAL 928 Ca -0.02 0.07 -0.39 0.00 -2.96 0.00 0.00 64.34 61.03 3hkv n VAL 928 Cb 0.21 -0.74 0.00 0.00 -1.06 0.00 0.00 33.84 32.25 3hkv n VAL 928 CO 0.00 0.00 0.00 -1.10 -6.46 0.00 0.00 176.83 169.27 3hkv s GLN 929 N -3.04 3.82 0.48 1.45 -0.21 -0.86 -4.70 119.66 116.61 3hkv s GLN 929 Ca 0.10 2.21 0.14 0.00 0.02 0.00 0.00 55.36 57.83 3hkv s GLN 929 Cb 0.14 -2.67 1.12 0.00 1.00 0.00 0.00 33.01 32.60 3hkv s GLN 929 CO 0.44 -0.63 2.08 -0.44 -2.12 0.00 0.00 175.29 174.62 3hkv h ASP 930 N 2.46 0.06 -0.15 5.90 3.32 -1.88 0.26 116.42 126.40 3hkv h ASP 930 Ca -0.50 -0.00 0.04 0.00 0.02 0.00 0.00 57.03 56.59 3hkv h ASP 930 Cb 1.25 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.78 3hkv h ASP 930 CO 0.62 0.11 0.11 0.08 -1.72 0.00 0.00 179.24 178.44 3hkv h ARG 931 N 0.06 0.00 0.00 3.56 0.11 -1.94 -2.02 114.38 114.16 3hkv h ARG 931 Ca 0.02 0.00 -0.33 0.00 0.10 0.00 0.00 59.98 59.76 3hkv h ARG 931 Cb 0.12 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 31.13 3hkv h ARG 931 CO 0.01 0.00 -2.25 0.66 0.10 0.00 0.00 179.97 178.49 3hkv n TYR 932 N -4.40 0.00 -3.36 4.08 4.01 -0.36 -4.70 117.16 112.43 3hkv n TYR 932 Ca 0.01 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.48 3hkv n TYR 932 Cb 0.24 -0.87 -0.08 0.00 -0.31 0.00 0.00 39.34 38.32 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 -2.92 3.11 -4.77 7.72 3.41 -0.06 -2.37 113.62 117.74 3hkv n SER 933 Ca -0.35 -3.31 -0.41 0.00 -0.26 0.00 0.00 58.87 54.54 3hkv n SER 933 Cb 1.00 -0.66 -0.02 0.00 -0.26 0.00 0.00 64.21 64.27 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 -2.28 4.27 0.51 4.33 0.04 -0.76 -4.56 135.00 136.55 3hkv s PRO 934 Ca 0.39 2.33 -0.22 0.00 0.04 0.00 0.00 61.00 63.54 3hkv s PRO 934 Cb 0.16 -3.05 -0.06 0.00 0.04 0.00 0.00 34.50 31.59 3hkv s PRO 934 CO -0.03 -0.33 1.28 -1.25 0.04 0.00 0.00 177.00 176.71 3hkv s PRO 935 N -1.59 3.42 0.28 0.56 0.04 -1.26 -4.56 135.00 131.88 3hkv s PRO 935 Ca 0.52 2.06 -0.05 0.00 0.04 0.00 0.00 61.00 63.57 3hkv s PRO 935 Cb -0.42 -2.34 0.06 0.00 0.04 0.00 0.00 34.50 31.84 3hkv s PRO 935 CO 0.54 -0.91 0.36 0.27 0.04 0.00 0.00 177.00 177.29 3hkv n ASN 936 N -0.76 -0.12 -0.28 6.66 0.23 -0.11 -4.83 115.26 116.04 3hkv n ASN 936 Ca 0.09 -1.08 0.10 0.00 -0.53 0.00 0.00 54.58 53.16 3hkv n ASN 936 Cb 0.46 -0.28 0.25 0.00 -2.08 0.00 0.00 39.78 38.14 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 -1.97 1.22 0.00 -2.53 0.00 -1.96 -0.26 119.26 113.77 3hkv h ALA 937 Ca -0.12 0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3hkv h ALA 937 Cb 0.33 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3hkv h ALA 937 CO 0.08 -0.35 0.00 -0.25 0.00 0.00 0.00 179.25 178.74 3hkv n ASP 938 N -5.11 0.00 0.00 0.00 8.00 -1.26 -4.87 116.55 113.31 3hkv n ASP 938 Ca 0.19 -1.08 0.00 0.00 0.71 0.00 0.00 54.79 54.61 3hkv n ASP 938 Cb 0.58 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.68 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 0.54 0.66 3.78 0.44 0.00 -0.11 -5.03 105.19 105.46 3hkv n GLY 939 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.57 3.76 -0.03 1.61 3.76 -1.26 -4.38 115.29 116.18 3hkv s HIS 940 Ca 0.00 1.34 0.07 0.00 -0.15 0.00 0.00 55.06 56.32 3hkv s HIS 940 Cb 0.00 -2.64 -0.02 0.00 1.11 0.00 0.00 32.58 31.03 3hkv s HIS 940 CO 0.00 0.43 -0.23 0.15 -0.85 0.00 0.00 174.74 174.24 3hkv s LYS 941 N -0.58 2.25 -0.21 1.40 1.02 0.13 -0.94 119.74 122.82 3hkv s LYS 941 Ca 0.32 -0.88 -0.05 0.00 0.02 0.00 0.00 55.97 55.39 3hkv s LYS 941 Cb -0.20 -2.13 -0.02 0.00 -0.52 0.00 0.00 37.83 34.97 3hkv s LYS 941 CO 0.20 0.55 -0.01 0.00 -0.92 0.00 0.00 175.35 175.17 3hkv s ALA 942 N -0.57 2.96 -0.16 5.17 0.00 -1.26 -0.81 121.76 127.09 3hkv s ALA 942 Ca 0.09 -1.05 -0.00 0.00 0.00 0.00 0.00 51.96 50.99 3hkv s ALA 942 Cb -0.11 -1.76 0.04 0.00 0.00 0.00 0.00 23.12 21.30 3hkv s ALA 942 CO -0.00 -0.25 -0.06 0.08 0.00 0.00 0.00 175.76 175.53 3hkv s VAL 943 N 1.18 1.12 0.48 0.00 1.01 -0.04 -1.33 120.40 122.83 3hkv s VAL 943 Ca 0.03 -0.62 -0.19 0.00 0.00 0.00 0.00 61.98 61.20 3hkv s VAL 943 Cb -0.14 -1.29 -0.09 0.00 0.00 0.00 0.00 36.38 34.86 3hkv s VAL 943 CO 0.01 0.14 0.98 -0.36 0.00 0.00 0.00 175.10 175.87 3hkv s PHE 944 N 1.63 3.34 -0.11 5.22 0.08 0.07 -0.30 117.98 127.91 3hkv s PHE 944 Ca 0.01 1.53 0.00 0.00 0.12 0.00 0.00 56.93 58.60 3hkv s PHE 944 Cb -0.15 -2.84 -0.02 0.00 -0.57 0.00 0.00 43.02 39.44 3hkv s PHE 944 CO -0.08 -0.32 -0.12 0.08 -0.10 0.00 0.00 175.22 174.68 3hkv s VAL 945 N -2.40 3.16 0.05 -0.44 1.01 0.46 -1.50 120.40 120.74 3hkv s VAL 945 Ca 0.61 -0.64 0.03 0.00 0.00 0.00 0.00 61.98 61.98 3hkv s VAL 945 Cb -0.10 -2.31 -0.02 0.00 0.00 0.00 0.00 36.38 33.94 3hkv s VAL 945 CO 0.23 0.54 -0.09 0.00 0.00 0.00 0.00 175.10 175.79 3hkv s ALA 946 N 0.04 0.65 -0.14 5.51 0.00 0.30 -0.81 121.76 127.32 3hkv s ALA 946 Ca -0.04 -0.79 -0.22 0.00 0.00 0.00 0.00 51.96 50.91 3hkv s ALA 946 Cb -0.14 0.02 -0.03 0.00 0.00 0.00 0.00 23.12 22.97 3hkv s ALA 946 CO 0.04 0.01 0.66 1.03 0.00 0.00 0.00 175.76 177.50 3hkv s ARG 947 N -1.58 4.32 -0.08 0.00 0.52 -0.31 -0.70 118.95 121.12 3hkv s ARG 947 Ca -0.09 0.75 0.01 0.00 -0.52 0.00 0.00 55.73 55.89 3hkv s ARG 947 Cb -0.10 -3.51 0.02 0.00 0.52 0.00 0.00 34.95 31.88 3hkv s ARG 947 CO 0.01 -0.09 -0.11 0.08 0.02 0.00 0.00 175.30 175.20 3hkv s VAL 948 N 1.38 1.11 -1.18 3.52 1.01 0.15 -0.34 120.40 126.05 3hkv s VAL 948 Ca 0.33 -0.43 -0.16 0.00 0.00 0.00 0.00 61.98 61.72 3hkv s VAL 948 Cb -0.16 -1.05 0.14 0.00 0.00 0.00 0.00 36.38 35.31 3hkv s VAL 948 CO 0.13 0.36 1.46 -0.76 0.00 0.00 0.00 175.10 176.30 3hkv s LEU 949 N 0.97 4.70 0.35 3.92 1.43 0.15 -1.15 118.68 129.05 3hkv s LEU 949 Ca -0.09 -2.67 0.18 0.00 -1.03 0.00 0.00 54.13 50.52 3hkv s LEU 949 Cb -0.15 -2.45 0.48 0.00 0.03 0.00 0.00 46.19 44.11 3hkv s LEU 949 CO 0.00 -0.92 1.64 0.71 0.23 0.00 0.00 176.35 178.01 3hkv h THR 950 N 5.12 0.82 0.00 5.49 1.35 -1.39 -3.46 112.91 120.84 3hkv h THR 950 Ca 0.32 -1.73 0.00 0.00 -0.55 0.00 0.00 66.41 64.45 3hkv h THR 950 Cb 0.90 2.09 0.00 0.00 -1.73 0.00 0.00 68.15 69.41 3hkv h THR 950 CO 1.28 0.39 0.00 0.61 -0.25 0.00 0.00 175.52 177.56 3hkv n GLY 951 N 0.60 1.82 3.69 5.82 0.00 -0.23 -3.87 105.19 113.02 3hkv n GLY 951 Ca 0.01 -0.35 -0.42 0.00 0.00 0.00 0.00 46.02 45.26 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 7.21 0.15 1.61 1.01 -1.26 -4.87 116.67 116.52 3hkv s ASP 952 Ca 0.00 1.48 0.09 0.00 0.71 0.00 0.00 52.55 54.83 3hkv s ASP 952 Cb 0.00 -2.54 -0.04 0.00 1.01 0.00 0.00 42.92 41.35 3hkv s ASP 952 CO 0.00 -0.39 -0.17 -0.72 0.21 0.00 0.00 175.17 174.10 3hkv s TYR 953 N 1.81 2.52 0.23 4.23 -0.85 -1.26 0.86 117.35 124.89 3hkv s TYR 953 Ca 0.47 -0.27 0.01 0.00 -0.52 0.00 0.00 57.07 56.76 3hkv s TYR 953 Cb -0.18 -1.29 -0.05 0.00 0.38 0.00 0.00 41.96 40.81 3hkv s TYR 953 CO 0.19 0.44 0.09 0.20 -1.52 0.00 0.00 175.55 174.94 3hkv s GLY 954 N -2.41 1.60 0.09 5.49 0.00 -0.88 -4.95 107.32 106.27 3hkv s GLY 954 Ca 0.20 -1.80 -0.31 0.00 0.00 0.00 0.00 44.72 42.82 3hkv s GLY 954 CO 0.11 -1.55 1.75 1.62 0.00 0.00 0.00 173.10 175.03 3hkv s GLN 955 N -4.04 4.17 0.64 2.90 2.00 -1.26 -1.27 119.66 122.78 3hkv s GLN 955 Ca 0.36 2.47 -0.11 0.00 -2.00 0.00 0.00 55.36 56.08 3hkv s GLN 955 Cb 0.07 -3.61 -0.03 0.00 0.80 0.00 0.00 33.01 30.25 3hkv s GLN 955 CO 0.12 -0.79 1.04 0.20 -0.50 0.00 0.00 175.29 175.36 3hkv s GLY 956 N 2.60 1.66 0.19 2.59 0.00 -0.30 -4.61 107.32 109.45 3hkv s GLY 956 Ca 0.78 -0.11 -0.11 0.00 0.00 0.00 0.00 44.72 45.28 3hkv s GLY 956 CO 0.34 0.18 0.36 1.09 0.00 0.00 0.00 173.10 175.06 3hkv s ARG 957 N -5.19 1.28 0.14 2.90 1.70 -1.13 -4.77 118.95 113.87 3hkv s ARG 957 Ca 0.56 -1.17 -0.35 0.00 -0.47 0.00 0.00 55.73 54.30 3hkv s ARG 957 Cb -0.11 0.41 -0.16 0.00 -0.57 0.00 0.00 34.95 34.52 3hkv s ARG 957 CO 0.54 -0.49 1.31 -2.13 -1.08 0.00 0.00 175.30 173.45 3hkv n ARG 958 N -0.27 1.35 0.00 3.89 0.63 -1.09 -2.13 116.66 119.02 3hkv n ARG 958 Ca -0.06 0.48 0.00 0.00 -0.92 0.00 0.00 57.85 57.35 3hkv n ARG 958 Cb 0.63 -2.09 0.00 0.00 0.45 0.00 0.00 32.46 31.44 3hkv n ARG 958 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3hkv n GLY 959 N 2.43 2.46 3.70 5.14 0.00 -1.26 -4.85 105.19 112.82 3hkv n GLY 959 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 3hkv n GLY 959 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3hkv n LEU 960 N 0.00 3.67 -0.33 0.99 7.94 -1.02 -4.80 117.00 123.46 3hkv n LEU 960 Ca 0.00 1.16 0.04 0.00 -1.11 0.00 0.00 56.01 56.10 3hkv n LEU 960 Cb 0.00 -1.50 0.10 0.00 0.53 0.00 0.00 43.42 42.55 3hkv n LEU 960 CO 0.00 -0.24 0.58 0.54 -1.11 0.00 0.00 177.39 177.16 3hkv n ARG 961 N 1.79 2.72 -3.98 1.96 1.74 -1.26 -0.56 116.66 119.08 3hkv n ARG 961 Ca 0.09 -1.98 -0.09 0.00 -0.77 0.00 0.00 57.85 55.10 3hkv n ARG 961 Cb 0.34 -1.25 -0.04 0.00 -1.02 0.00 0.00 32.46 30.48 3hkv n ARG 961 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hkv s ALA 962 N -1.46 -0.35 0.90 7.54 0.00 -1.26 -4.95 121.76 122.17 3hkv s ALA 962 Ca 0.17 -0.82 -0.11 0.00 0.00 0.00 0.00 51.96 51.19 3hkv s ALA 962 Cb 0.12 1.03 0.11 0.00 0.00 0.00 0.00 23.12 24.37 3hkv s ALA 962 CO 0.07 -0.88 0.99 -2.30 0.00 0.00 0.00 175.76 173.63 3hkv n PRO 963 N -0.41 -0.27 -1.19 0.00 -0.02 -1.26 -4.94 135.00 126.91 3hkv n PRO 963 Ca -0.02 -0.01 -0.31 0.00 -2.02 0.00 0.00 63.50 61.14 3hkv n PRO 963 Cb 0.61 -2.27 0.10 0.00 -0.02 0.00 0.00 33.50 31.93 3hkv n PRO 963 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3hkv s PRO 964 N -4.26 2.05 0.41 0.52 0.04 -1.26 -4.58 135.00 127.92 3hkv s PRO 964 Ca 0.66 1.27 -0.26 0.00 0.04 0.00 0.00 61.00 62.71 3hkv s PRO 964 Cb -0.24 -1.87 -0.09 0.00 0.04 0.00 0.00 34.50 32.34 3hkv s PRO 964 CO 0.58 -1.81 1.39 -0.51 0.04 0.00 0.00 177.00 176.69 3hkv s LEU 965 N -5.96 4.23 0.13 -3.56 1.43 -1.26 -1.53 118.68 112.15 3hkv s LEU 965 Ca 0.63 2.84 0.02 0.00 -1.03 0.00 0.00 54.13 56.59 3hkv s LEU 965 Cb -0.19 -3.83 -0.12 0.00 0.03 0.00 0.00 46.19 42.08 3hkv s LEU 965 CO 0.55 -0.94 1.30 0.03 0.23 0.00 0.00 176.35 177.53 3hkv h ARG 966 N 2.70 0.16 0.00 1.70 3.08 -1.00 -3.44 114.38 117.58 3hkv h ARG 966 Ca -0.50 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 59.33 3hkv h ARG 966 Cb 1.25 0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.37 3hkv h ARG 966 CO 0.63 1.02 0.00 0.41 -1.07 0.00 0.00 179.97 180.96 3hkv n GLY 967 N 1.13 -1.91 3.75 0.04 0.00 -1.26 -4.90 105.19 102.04 3hkv n GLY 967 Ca -0.04 -1.70 -0.36 0.00 0.00 0.00 0.00 46.02 43.92 3hkv n GLY 967 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3hkv s PRO 968 N 0.00 3.03 0.00 1.61 0.02 -1.26 -3.68 135.00 134.72 3hkv s PRO 968 Ca 0.00 1.86 0.00 0.00 0.02 0.00 0.00 61.00 62.88 3hkv s PRO 968 Cb 0.00 -1.98 0.00 0.00 0.02 0.00 0.00 34.50 32.54 3hkv s PRO 968 CO 0.00 -1.17 0.00 0.41 -0.33 0.00 0.00 177.00 175.91 3hkv n GLY 969 N 0.53 0.68 2.99 0.52 0.00 -1.26 -5.07 105.19 103.58 3hkv n GLY 969 Ca 0.13 -0.63 -0.13 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.00 -0.14 0.20 1.61 3.76 -1.24 -5.04 115.29 112.44 3hkv s HIS 970 Ca 0.00 0.37 -0.01 0.00 -0.15 0.00 0.00 55.06 55.26 3hkv s HIS 970 Cb 0.00 0.02 0.14 0.00 1.11 0.00 0.00 32.58 33.85 3hkv s HIS 970 CO 0.00 -0.08 1.51 0.28 -0.85 0.00 0.00 174.74 175.60 3hkv h VAL 971 N 5.15 1.34 -3.54 -0.90 2.07 -1.97 -3.46 116.25 114.94 3hkv h VAL 971 Ca -0.28 -1.87 -0.52 0.00 0.82 0.00 0.00 66.70 64.85 3hkv h VAL 971 Cb 1.19 1.86 -0.03 0.00 -1.52 0.00 0.00 31.29 32.79 3hkv h VAL 971 CO 0.43 0.57 -0.04 -0.76 0.02 0.00 0.00 177.57 177.79 3hkv s LEU 972 N -8.21 4.13 0.01 2.57 1.43 -1.26 -5.01 118.68 112.34 3hkv s LEU 972 Ca -0.06 1.06 -0.20 0.00 -1.03 0.00 0.00 54.13 53.90 3hkv s LEU 972 Cb 0.11 -3.82 -0.22 0.00 0.03 0.00 0.00 46.19 42.29 3hkv s LEU 972 CO 0.83 -0.12 1.14 0.25 0.23 0.00 0.00 176.35 178.68 3hkv h LEU 973 N 2.46 0.51 -8.75 1.79 5.85 -1.96 -3.41 115.31 111.80 3hkv h LEU 973 Ca -0.47 -0.72 -0.37 0.00 0.84 0.00 0.00 57.88 57.16 3hkv h LEU 973 Cb 1.17 -0.15 -0.14 0.00 0.37 0.00 0.00 40.66 41.90 3hkv h LEU 973 CO 0.68 1.16 -0.72 -0.13 -0.34 0.00 0.00 178.44 179.09 3hkv s ARG 974 N -3.37 1.17 1.07 1.25 0.52 -1.26 -0.47 118.95 117.86 3hkv s ARG 974 Ca -0.13 -1.52 -0.15 0.00 -0.52 0.00 0.00 55.73 53.41 3hkv s ARG 974 Cb 0.04 -0.79 0.22 0.00 0.52 0.00 0.00 34.95 34.94 3hkv s ARG 974 CO 0.81 0.10 1.12 0.71 0.02 0.00 0.00 175.30 178.06 3hkv s TYR 975 N -3.21 1.50 -0.13 -0.53 2.02 -0.58 -4.77 117.35 111.64 3hkv s TYR 975 Ca 0.19 0.73 0.16 0.00 -0.37 0.00 0.00 57.07 57.79 3hkv s TYR 975 Cb 0.02 -3.41 -0.09 0.00 -0.40 0.00 0.00 41.96 38.07 3hkv s TYR 975 CO 0.03 -3.21 0.96 -0.44 -1.57 0.00 0.00 175.55 171.32 3hkv h ASP 976 N -2.11 0.00 -5.12 2.29 3.32 0.20 -3.42 116.42 111.59 3hkv h ASP 976 Ca -0.50 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.55 3hkv h ASP 976 Cb 1.31 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.79 3hkv h ASP 976 CO 0.48 0.55 0.05 -0.94 -1.72 0.00 0.00 179.24 177.66 3hkv s SER 977 N -5.91 -0.19 0.21 6.45 1.04 -1.09 -4.77 113.70 109.43 3hkv s SER 977 Ca -0.01 -0.71 0.09 0.00 0.48 0.00 0.00 55.95 55.79 3hkv s SER 977 Cb 0.08 0.64 -0.04 0.00 0.10 0.00 0.00 66.02 66.80 3hkv s SER 977 CO 0.80 -1.20 -0.05 0.00 0.98 0.00 0.00 173.24 173.76 3hkv s ALA 978 N -3.95 3.05 0.23 5.32 0.00 -0.67 -2.08 121.76 123.66 3hkv s ALA 978 Ca 0.15 -1.52 -0.04 0.00 0.00 0.00 0.00 51.96 50.56 3hkv s ALA 978 Cb -0.03 -0.78 -0.03 0.00 0.00 0.00 0.00 23.12 22.28 3hkv s ALA 978 CO 0.06 0.41 0.25 0.00 0.00 0.00 0.00 175.76 176.47 3hkv s MET 979 N -3.11 1.35 0.05 0.00 0.23 -0.40 -0.66 119.30 116.76 3hkv s MET 979 Ca 0.27 -1.55 -0.17 0.00 -1.03 0.00 0.00 55.69 53.21 3hkv s MET 979 Cb -0.08 0.33 -0.19 0.00 -1.53 0.00 0.00 34.83 33.36 3hkv s MET 979 CO 0.17 -0.49 1.21 0.38 -2.03 0.00 0.00 175.02 174.26 3hkv h ASP 980 N 2.47 0.68 -4.14 -1.18 2.03 -1.81 -0.78 116.42 113.70 3hkv h ASP 980 Ca -0.32 -0.68 -0.04 0.00 -0.73 0.00 0.00 57.03 55.25 3hkv h ASP 980 Cb 1.25 -0.20 -0.21 0.00 -0.83 0.00 0.00 39.33 39.34 3hkv h ASP 980 CO 0.47 1.25 0.13 0.00 -1.03 0.00 0.00 179.24 180.06 3hkv h ILE 982 N 3.87 0.00 -3.54 0.00 -2.65 -1.96 -2.89 117.51 110.34 3hkv h ILE 982 Ca -0.29 -0.33 -0.69 0.00 1.03 0.00 0.00 64.86 64.58 3hkv h ILE 982 Cb 1.16 1.16 -0.19 0.00 -2.05 0.00 0.00 36.82 36.90 3hkv h ILE 982 CO 0.10 0.00 -0.20 0.00 0.03 0.00 0.00 178.15 178.08 3hkv n GLN 984 N 5.61 -1.76 -1.89 0.00 -0.06 -1.26 -4.91 117.38 113.11 3hkv n GLN 984 Ca -0.07 1.04 -0.41 0.00 -2.00 0.00 0.00 57.00 55.55 3hkv n GLN 984 Cb 0.47 -5.50 -0.01 0.00 -4.06 0.00 0.00 30.24 21.14 3hkv n GLN 984 CO 0.00 0.00 0.00 -1.25 -0.20 0.00 0.00 177.06 175.61 3hkv s PRO 985 N -3.81 4.19 -0.00 3.69 0.04 -1.09 -4.80 135.00 133.22 3hkv s PRO 985 Ca 0.27 2.46 0.02 0.00 0.04 0.00 0.00 61.00 63.79 3hkv s PRO 985 Cb -0.03 -3.03 -0.03 0.00 0.04 0.00 0.00 34.50 31.44 3hkv s PRO 985 CO 0.69 -0.48 0.08 -1.13 0.04 0.00 0.00 177.00 176.20 3hkv n SER 986 N 1.45 1.86 -4.00 6.66 3.41 -1.26 -4.92 113.62 116.82 3hkv n SER 986 Ca 0.04 -0.33 -0.21 0.00 -0.26 0.00 0.00 58.87 58.11 3hkv n SER 986 Cb 0.39 1.05 -0.16 0.00 -0.26 0.00 0.00 64.21 65.23 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 -1.61 0.81 -0.02 -1.33 1.01 -1.26 -1.34 121.20 117.46 3hkv s ILE 987 Ca 0.00 -0.37 0.06 0.00 0.00 0.00 0.00 60.65 60.35 3hkv s ILE 987 Cb 0.02 -0.72 -0.01 0.00 0.01 0.00 0.00 42.46 41.75 3hkv s ILE 987 CO 0.10 0.25 -0.19 -0.36 0.00 0.00 0.00 174.94 174.74 3hkv s PHE 988 N 0.24 1.74 -0.15 3.97 0.08 -0.29 -2.42 117.98 121.14 3hkv s PHE 988 Ca -0.04 -0.34 0.01 0.00 0.12 0.00 0.00 56.93 56.68 3hkv s PHE 988 Cb -0.09 -1.12 0.00 0.00 -0.57 0.00 0.00 43.02 41.24 3hkv s PHE 988 CO 0.01 -0.03 -0.17 0.08 -0.10 0.00 0.00 175.22 175.01 3hkv s VAL 989 N -0.44 2.53 0.19 -0.44 1.01 0.16 -0.43 120.40 122.98 3hkv s VAL 989 Ca 0.07 -0.81 0.09 0.00 0.00 0.00 0.00 61.98 61.33 3hkv s VAL 989 Cb -0.08 -2.06 -0.04 0.00 0.00 0.00 0.00 36.38 34.20 3hkv s VAL 989 CO -0.01 0.52 -0.12 0.27 0.00 0.00 0.00 175.10 175.76 3hkv s ILE 990 N 0.86 3.03 0.00 2.22 -4.36 -0.19 -1.67 121.20 121.09 3hkv s ILE 990 Ca -0.05 -1.75 0.00 0.00 -0.26 0.00 0.00 60.65 58.59 3hkv s ILE 990 Cb -0.15 -2.50 0.00 0.00 1.25 0.00 0.00 42.46 41.06 3hkv s ILE 990 CO -0.01 -0.13 0.58 0.49 0.24 0.00 0.00 174.94 176.11 3hkv n PHE 991 N 0.04 0.00 -4.96 1.37 3.72 -1.26 -0.65 117.46 115.72 3hkv n PHE 991 Ca -0.11 -0.16 -0.27 0.00 -0.05 0.00 0.00 57.45 56.86 3hkv n PHE 991 Cb 0.56 -0.02 -0.16 0.00 -0.94 0.00 0.00 39.48 38.92 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 -0.32 1.86 -1.15 1.38 3.76 -1.26 -5.03 115.29 114.53 3hkv s HIS 992 Ca 0.00 -0.46 0.26 0.00 -0.15 0.00 0.00 55.06 54.70 3hkv s HIS 992 Cb 0.00 -1.22 1.18 0.00 1.11 0.00 0.00 32.58 33.64 3hkv s HIS 992 CO 0.00 -0.12 1.85 -0.40 -0.85 0.00 0.00 174.74 175.22 3hkv n ASP 993 N 2.89 0.00 -1.35 1.40 5.68 -1.26 -2.45 116.55 121.45 3hkv n ASP 993 Ca -0.17 0.30 0.12 0.00 -0.50 0.00 0.00 54.79 54.54 3hkv n ASP 993 Cb 0.53 -0.43 0.32 0.00 -1.14 0.00 0.00 41.12 40.40 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 -1.43 0.97 1.19 2.12 -2.24 -1.26 -4.37 114.28 109.26 3hkv n THR 994 Ca 0.08 -0.97 0.13 0.00 -2.27 0.00 0.00 64.05 61.02 3hkv n THR 994 Cb 0.27 0.50 0.38 0.00 -2.10 0.00 0.00 70.33 69.37 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 1.64 0.57 -3.80 -0.78 7.27 -1.03 -4.16 117.38 117.09 3hkv n GLN 995 Ca 0.24 -0.31 -0.14 0.00 0.07 0.00 0.00 57.00 56.86 3hkv n GLN 995 Cb 0.62 -1.49 -0.15 0.00 2.41 0.00 0.00 30.24 31.62 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 -2.65 0.04 -0.24 1.69 0.00 -1.26 -0.67 121.76 118.67 3hkv s ALA 996 Ca 0.21 0.24 0.02 0.00 0.00 0.00 0.00 51.96 52.44 3hkv s ALA 996 Cb 0.19 -0.19 0.05 0.00 0.00 0.00 0.00 23.12 23.17 3hkv s ALA 996 CO 0.56 -0.08 -0.13 -1.17 0.00 0.00 0.00 175.76 174.94 3hkv s LEU 997 N 0.78 3.02 0.12 0.00 2.96 0.54 -4.65 118.68 121.45 3hkv s LEU 997 Ca -0.06 -1.18 -0.31 0.00 -0.22 0.00 0.00 54.13 52.36 3hkv s LEU 997 Cb -0.09 -1.49 -0.09 0.00 0.50 0.00 0.00 46.19 45.02 3hkv s LEU 997 CO -0.02 -0.14 1.50 -2.16 -1.32 0.00 0.00 176.35 174.20 3hkv s PRO 998 N 1.18 4.26 -0.13 0.98 0.04 -1.26 -1.17 135.00 138.90 3hkv s PRO 998 Ca -0.05 2.22 0.05 0.00 0.04 0.00 0.00 61.00 63.26 3hkv s PRO 998 Cb -0.18 -3.29 -0.11 0.00 0.04 0.00 0.00 34.50 30.95 3hkv s PRO 998 CO -0.07 -0.56 -0.05 0.25 0.04 0.00 0.00 177.00 176.60 3hkv n THR 999 N 4.14 0.80 -3.97 1.26 -2.24 0.01 -4.74 114.28 109.54 3hkv n THR 999 Ca 0.13 -0.39 -0.09 0.00 -2.27 0.00 0.00 64.05 61.44 3hkv n THR 999 Cb 0.41 -0.87 -0.09 0.00 -2.10 0.00 0.00 70.33 67.67 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 -2.28 0.28 -0.14 4.78 3.76 -1.09 -0.93 115.29 119.66 3hkv s HIS 1000Ca -0.13 -0.65 0.01 0.00 -0.15 0.00 0.00 55.06 54.14 3hkv s HIS 1000Cb 0.04 -0.20 0.02 0.00 1.11 0.00 0.00 32.58 33.55 3hkv s HIS 1000CO 0.39 -0.37 -0.16 -1.17 -0.85 0.00 0.00 174.74 172.58 3hkv s LEU 1001N -2.31 1.80 -0.23 0.89 2.96 0.15 -0.40 118.68 121.54 3hkv s LEU 1001Ca -0.02 -0.50 -0.08 0.00 -0.22 0.00 0.00 54.13 53.32 3hkv s LEU 1001Cb 0.01 -1.21 -0.03 0.00 0.50 0.00 0.00 46.19 45.45 3hkv s LEU 1001CO -0.06 -0.00 0.07 -0.63 -1.32 0.00 0.00 176.35 174.41 3hkv s ILE 1002N 1.19 4.53 -0.25 6.68 1.01 0.59 -1.19 121.20 133.75 3hkv s ILE 1002Ca -0.01 -0.11 -0.10 0.00 0.00 0.00 0.00 60.65 60.44 3hkv s ILE 1002Cb -0.14 -3.10 -0.04 0.00 0.01 0.00 0.00 42.46 39.19 3hkv s ILE 1002CO -0.06 0.37 0.14 -0.89 0.00 0.00 0.00 174.94 174.50 3hkv s THR 1003N 1.20 5.04 0.28 2.92 2.01 -0.44 -0.86 115.64 125.79 3hkv s THR 1003Ca 0.05 0.07 0.02 0.00 0.31 0.00 0.00 61.69 62.14 3hkv s THR 1003Cb -0.14 -3.36 -0.04 0.00 0.01 0.00 0.00 72.50 68.96 3hkv s THR 1003CO 0.04 0.33 0.12 0.00 -0.69 0.00 0.00 174.62 174.41 3hkv s GLU 1005N -3.95 0.64 0.30 0.00 -1.05 0.51 0.21 118.70 115.38 3hkv s GLU 1005Ca 0.37 -0.43 -0.29 0.00 -0.15 0.00 0.00 54.97 54.46 3hkv s GLU 1005Cb 0.07 0.27 -0.10 0.00 -0.44 0.00 0.00 34.13 33.93 3hkv s GLU 1005CO 0.15 -0.18 1.18 -1.01 0.95 0.00 0.00 175.26 176.36 3hkv s HIS 1006N -1.90 3.36 -0.06 4.83 3.76 -1.26 -0.91 115.29 123.11 3hkv s HIS 1006Ca -0.10 1.58 0.05 0.00 -0.15 0.00 0.00 55.06 56.44 3hkv s HIS 1006Cb -0.04 -3.45 -0.02 0.00 1.11 0.00 0.00 32.58 30.19 3hkv s HIS 1006CO -0.00 -1.09 -0.20 0.14 -0.85 0.00 0.00 174.74 172.74 3hkv s VAL 1007N -1.16 2.49 -2.78 -0.90 -7.23 -0.46 -4.88 120.40 105.48 3hkv s VAL 1007Ca 0.46 -0.92 0.26 0.00 -1.81 0.00 0.00 61.98 59.98 3hkv s VAL 1007Cb -0.35 -1.94 0.35 0.00 0.56 0.00 0.00 36.38 35.00 3hkv s VAL 1007CO 0.46 0.57 1.48 -0.81 -0.31 0.00 0.00 175.10 176.49