#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vmi h THR 906 N 0.00 1.31 -3.73 2.62 2.02 -2.04 -3.43 112.91 109.67 2vmi h THR 906 Ca 0.00 -1.52 -0.12 0.00 0.77 0.00 0.00 66.41 65.54 2vmi h THR 906 Cb 0.00 1.82 -0.18 0.00 -1.74 0.00 0.00 68.15 68.05 2vmi h THR 906 CO 0.00 0.43 -0.49 -0.94 0.37 0.00 0.00 175.52 174.90 2vmi s SER 907 N -6.90 0.13 -0.14 4.18 1.04 -1.26 -4.71 113.70 106.04 2vmi s SER 907 Ca -0.02 -0.48 -0.00 0.00 0.48 0.00 0.00 55.95 55.93 2vmi s SER 907 Cb 0.14 0.24 0.03 0.00 0.10 0.00 0.00 66.02 66.54 2vmi s SER 907 CO 0.74 -0.52 -0.07 -0.69 0.98 0.00 0.00 173.24 173.68 2vmi s VAL 908 N -2.56 1.10 0.32 5.02 1.01 -0.11 -4.98 120.40 120.21 2vmi s VAL 908 Ca -0.05 -0.50 -0.28 0.00 0.00 0.00 0.00 61.98 61.15 2vmi s VAL 908 Cb -0.01 -1.20 -0.09 0.00 0.00 0.00 0.00 36.38 35.07 2vmi s VAL 908 CO -0.04 0.24 1.12 -0.31 0.00 0.00 0.00 175.10 176.11 2vmi s TYR 909 N 1.65 3.41 0.47 5.22 2.02 -1.26 -0.48 117.35 128.38 2vmi s TYR 909 Ca 0.03 1.65 0.20 0.00 -0.37 0.00 0.00 57.07 58.58 2vmi s TYR 909 Cb -0.14 -3.31 1.20 0.00 -0.40 0.00 0.00 41.96 39.32 2vmi s TYR 909 CO -0.08 -0.78 1.93 -0.07 -1.57 0.00 0.00 175.55 174.98 2vmi h LEU 910 N 3.41 0.24 -0.34 -1.29 3.38 -1.56 -0.22 115.31 118.92 2vmi h LEU 910 Ca -0.47 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.51 2vmi h LEU 910 Cb 1.22 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.94 2vmi h LEU 910 CO 0.65 0.12 0.00 -1.54 0.09 0.00 0.00 178.44 177.76 2vmi n SER 911 N -4.43 0.21 0.08 -0.43 3.41 -1.26 -1.24 113.62 109.97 2vmi n SER 911 Ca 0.14 0.57 0.12 0.00 -0.26 0.00 0.00 58.87 59.45 2vmi n SER 911 Cb 0.63 -0.61 0.27 0.00 -0.26 0.00 0.00 64.21 64.24 2vmi n SER 911 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2vmi n GLU 912 N -1.75 0.29 -3.94 4.33 1.02 -0.09 -4.94 120.64 115.55 2vmi n GLU 912 Ca 0.02 0.15 -0.24 0.00 -0.02 0.00 0.00 57.16 57.07 2vmi n GLU 912 Cb 0.12 -1.75 -0.03 0.00 -0.02 0.00 0.00 31.44 29.76 2vmi n GLU 912 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2vmi s LEU 913 N -4.41 4.32 -0.13 -4.62 1.43 -0.37 -5.06 118.68 109.85 2vmi s LEU 913 Ca 0.08 0.15 -0.09 0.00 -1.03 0.00 0.00 54.13 53.23 2vmi s LEU 913 Cb 0.13 -2.91 -0.05 0.00 0.03 0.00 0.00 46.19 43.39 2vmi s LEU 913 CO 0.67 -0.00 0.19 -0.70 0.23 0.00 0.00 176.35 176.73 2vmi s GLU 914 N -3.53 3.77 0.52 1.70 2.56 -1.26 -5.02 118.70 117.44 2vmi s GLU 914 Ca 0.35 -0.06 -0.14 0.00 0.00 0.00 0.00 54.97 55.11 2vmi s GLU 914 Cb -0.10 -3.28 -0.07 0.00 2.00 0.00 0.00 34.13 32.68 2vmi s GLU 914 CO 0.29 0.59 0.96 1.67 -0.56 0.00 0.00 175.26 178.21 2vmi s TRP 915 N -0.53 3.50 0.26 5.30 -2.14 -1.26 -4.69 118.94 119.37 2vmi s TRP 915 Ca 0.15 1.34 0.03 0.00 2.66 0.00 0.00 56.10 60.28 2vmi s TRP 915 Cb -0.12 -2.71 0.33 0.00 -3.10 0.00 0.00 33.47 27.87 2vmi s TRP 915 CO 0.04 -0.40 1.64 0.87 -2.66 0.00 0.00 176.95 176.43 2vmi h LYS 916 N 0.66 0.37 -2.02 3.25 1.57 -0.81 -3.47 116.57 116.11 2vmi h LYS 916 Ca -0.46 -0.19 0.04 0.00 -1.87 0.00 0.00 60.65 58.17 2vmi h LYS 916 Cb 1.19 0.00 -0.19 0.00 0.08 0.00 0.00 32.23 33.32 2vmi h LYS 916 CO 0.62 0.74 0.41 -1.54 -0.57 0.00 0.00 179.45 179.11 2vmi s SER 917 N -6.87 -0.46 -0.28 0.86 1.04 -1.22 -5.01 113.70 101.76 2vmi s SER 917 Ca -0.06 0.33 -0.15 0.00 0.48 0.00 0.00 55.95 56.55 2vmi s SER 917 Cb 0.13 0.42 0.09 0.00 0.10 0.00 0.00 66.02 66.75 2vmi s SER 917 CO 0.80 -0.55 0.68 0.00 0.98 0.00 0.00 173.24 175.14 2vmi s ALA 918 N -1.97 -1.90 0.25 5.32 0.00 -1.26 -1.21 121.76 120.99 2vmi s ALA 918 Ca -0.02 2.40 0.11 0.00 0.00 0.00 0.00 51.96 54.45 2vmi s ALA 918 Cb -0.01 -1.49 -0.05 0.00 0.00 0.00 0.00 23.12 21.58 2vmi s ALA 918 CO -0.01 -0.49 -0.20 -1.54 0.00 0.00 0.00 175.76 173.53 2vmi s SER 919 N 1.89 3.40 0.07 0.00 1.04 -0.31 -4.98 113.70 114.82 2vmi s SER 919 Ca -0.09 -1.00 -0.17 0.00 0.48 0.00 0.00 55.95 55.17 2vmi s SER 919 Cb -0.06 -0.27 0.03 0.00 0.10 0.00 0.00 66.02 65.82 2vmi s SER 919 CO -0.20 0.02 0.39 0.28 0.98 0.00 0.00 173.24 174.72 2vmi s THR 920 N -2.41 0.07 -1.46 2.02 -1.32 -1.25 -2.55 115.64 108.73 2vmi s THR 920 Ca 0.27 -0.54 0.29 0.00 -1.21 0.00 0.00 61.69 60.51 2vmi s THR 920 Cb -0.05 -1.03 0.45 0.00 -1.51 0.00 0.00 72.50 70.35 2vmi s THR 920 CO 0.13 -0.30 1.93 0.61 -2.21 0.00 0.00 174.62 174.79 2vmi n GLY 921 N 0.25 -1.16 3.64 6.08 0.00 -0.41 -4.82 105.19 108.77 2vmi n GLY 921 Ca -0.18 -0.20 -0.10 0.00 0.00 0.00 0.00 46.02 45.55 2vmi n GLY 921 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2vmi s TYR 922 N -2.59 -0.96 0.00 1.61 5.04 -1.26 -4.89 117.35 114.30 2vmi s TYR 922 Ca 0.27 2.06 0.00 0.00 -2.44 0.00 0.00 57.07 56.96 2vmi s TYR 922 Cb 0.20 0.50 0.00 0.00 0.35 0.00 0.00 41.96 43.01 2vmi s TYR 922 CO 0.48 -0.47 0.00 0.41 -1.34 0.00 0.00 175.55 174.63 2vmi n GLY 923 N 3.70 2.74 3.61 8.97 0.00 -1.26 -4.71 105.19 118.24 2vmi n GLY 923 Ca -0.18 -0.38 -0.31 0.00 0.00 0.00 0.00 46.02 45.15 2vmi n GLY 923 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2vmi s GLU 924 N 0.00 2.46 -0.11 1.61 2.02 -1.26 -4.92 118.70 118.49 2vmi s GLU 924 Ca 0.00 -0.81 -0.29 0.00 0.02 0.00 0.00 54.97 53.88 2vmi s GLU 924 Cb 0.00 -2.47 -0.04 0.00 0.10 0.00 0.00 34.13 31.72 2vmi s GLU 924 CO 0.00 0.57 1.58 0.42 0.02 0.00 0.00 175.26 177.85 2vmi s ILE 925 N -1.11 3.73 -0.14 -1.63 1.09 -1.26 -4.81 121.20 117.07 2vmi s ILE 925 Ca 0.20 0.86 -0.12 0.00 -1.10 0.00 0.00 60.65 60.49 2vmi s ILE 925 Cb -0.11 -3.61 -0.05 0.00 -1.06 0.00 0.00 42.46 37.63 2vmi s ILE 925 CO 0.11 -0.13 0.26 -1.10 -0.10 0.00 0.00 174.94 173.98 2vmi s GLN 926 N 4.12 4.05 -0.23 2.79 -1.52 -0.06 -4.95 119.66 123.85 2vmi s GLN 926 Ca 0.70 0.06 -0.21 0.00 -1.95 0.00 0.00 55.36 53.95 2vmi s GLN 926 Cb -0.29 -3.35 -0.02 0.00 -0.22 0.00 0.00 33.01 29.13 2vmi s GLN 926 CO 0.27 0.41 0.67 0.15 -0.25 0.00 0.00 175.29 176.53 2vmi s LYS 927 N -0.04 4.15 -1.58 2.91 1.02 -1.26 -1.07 119.74 123.88 2vmi s LYS 927 Ca 0.16 0.64 0.00 0.00 0.02 0.00 0.00 55.97 56.79 2vmi s LYS 927 Cb -0.13 -3.63 0.00 0.00 -0.52 0.00 0.00 37.83 33.55 2vmi s LYS 927 CO 0.04 -0.38 0.00 -0.25 -0.92 0.00 0.00 175.35 173.84 2vmi n ASP 928 N 5.57 -5.28 -3.47 2.83 8.00 0.66 -4.95 116.55 119.90 2vmi n ASP 928 Ca 0.00 0.01 -0.12 0.00 0.71 0.00 0.00 54.79 55.40 2vmi n ASP 928 Cb 0.49 -4.35 -0.03 0.00 -0.02 0.00 0.00 41.12 37.21 2vmi n ASP 928 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2vmi s ALA 929 N -2.89 -1.45 1.05 2.24 0.00 -1.26 -4.63 121.76 114.82 2vmi s ALA 929 Ca 0.00 0.39 -0.14 0.00 0.00 0.00 0.00 51.96 52.21 2vmi s ALA 929 Cb 0.00 0.83 0.22 0.00 0.00 0.00 0.00 23.12 24.16 2vmi s ALA 929 CO 0.00 -0.73 1.09 -1.54 0.00 0.00 0.00 175.76 174.58 2vmi s SER 930 N -2.73 2.14 0.47 0.00 1.04 0.14 -1.92 113.70 112.84 2vmi s SER 930 Ca 0.01 1.06 0.32 0.00 0.48 0.00 0.00 55.95 57.82 2vmi s SER 930 Cb -0.00 -1.65 1.48 0.00 0.10 0.00 0.00 66.02 65.95 2vmi s SER 930 CO -0.12 -3.41 1.95 0.00 0.98 0.00 0.00 173.24 172.63 2vmi n ASP 932 N -2.73 2.82 0.00 0.00 8.00 -1.26 -4.76 116.55 118.62 2vmi n ASP 932 Ca -0.00 -1.92 0.00 0.00 0.71 0.00 0.00 54.79 53.57 2vmi n ASP 932 Cb 0.19 -0.26 0.00 0.00 -0.02 0.00 0.00 41.12 41.03 2vmi n ASP 932 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2vmi n GLY 933 N 1.37 0.61 3.95 0.44 0.00 -0.24 -5.06 105.19 106.24 2vmi n GLY 933 Ca 0.18 -0.41 -0.23 0.00 0.00 0.00 0.00 46.02 45.56 2vmi n GLY 933 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2vmi s ASN 934 N -2.37 5.81 0.15 1.61 0.02 -1.26 -4.76 114.94 114.14 2vmi s ASN 934 Ca 0.00 0.34 -0.34 0.00 -1.02 0.00 0.00 52.86 51.84 2vmi s ASN 934 Cb 0.00 -1.56 -0.15 0.00 0.02 0.00 0.00 41.25 39.57 2vmi s ASN 934 CO 0.00 -0.74 1.48 0.41 0.02 0.00 0.00 177.10 178.27 2vmi n THR 935 N -2.14 0.17 -1.73 1.60 -1.04 -1.26 -0.68 114.28 109.19 2vmi n THR 935 Ca 0.02 -0.04 -0.42 0.00 -2.04 0.00 0.00 64.05 61.57 2vmi n THR 935 Cb 0.58 -1.33 -0.02 0.00 -1.82 0.00 0.00 70.33 67.73 2vmi n THR 935 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 2vmi n ILE 936 N 2.92 0.43 -4.11 12.58 5.41 -1.25 -4.63 119.36 130.72 2vmi n ILE 936 Ca 0.16 -0.11 -0.15 0.00 1.00 0.00 0.00 62.75 63.66 2vmi n ILE 936 Cb 0.27 -1.98 -0.14 0.00 -0.71 0.00 0.00 39.64 37.08 2vmi n ILE 936 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 2vmi s THR 937 N 0.68 0.36 0.28 1.39 -4.23 -1.26 -1.04 115.64 111.81 2vmi s THR 937 Ca 0.71 -0.27 0.05 0.00 -1.18 0.00 0.00 61.69 60.99 2vmi s THR 937 Cb -0.50 -0.32 -0.06 0.00 1.34 0.00 0.00 72.50 72.96 2vmi s THR 937 CO 0.39 0.05 -0.00 -0.76 -0.54 0.00 0.00 174.62 173.76 2vmi s LEU 938 N -0.25 2.28 -0.28 4.79 1.43 0.34 -1.01 118.68 125.99 2vmi s LEU 938 Ca 0.00 -1.26 -0.29 0.00 -1.03 0.00 0.00 54.13 51.55 2vmi s LEU 938 Cb -0.02 -0.43 0.01 0.00 0.03 0.00 0.00 46.19 45.78 2vmi s LEU 938 CO -0.00 -0.49 1.06 -0.75 0.23 0.00 0.00 176.35 176.40 2vmi s LYS 939 N -3.83 4.14 0.74 1.70 2.47 -1.26 0.21 119.74 123.92 2vmi s LYS 939 Ca 0.31 1.18 -0.12 0.00 -1.56 0.00 0.00 55.97 55.79 2vmi s LYS 939 Cb 0.06 -3.70 0.04 0.00 -1.46 0.00 0.00 37.83 32.77 2vmi s LYS 939 CO 0.12 -0.79 1.11 0.20 0.16 0.00 0.00 175.35 176.15 2vmi s GLY 940 N 1.47 1.62 0.42 5.54 0.00 0.95 -0.26 107.32 117.07 2vmi s GLY 940 Ca 0.45 -0.36 0.19 0.00 0.00 0.00 0.00 44.72 44.99 2vmi s GLY 940 CO 0.11 0.04 1.88 -2.09 0.00 0.00 0.00 173.10 173.04 2vmi h GLU 941 N -0.82 0.00 0.00 2.90 4.81 -1.93 -2.46 114.58 117.07 2vmi h GLU 941 Ca -0.46 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 2vmi h GLU 941 Cb 1.27 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.65 2vmi h GLU 941 CO 0.63 0.29 0.00 0.27 -0.73 0.00 0.00 179.01 179.47 2vmi n ASN 942 N -3.81 0.00 0.00 1.04 6.94 -1.26 -4.88 115.26 113.29 2vmi n ASN 942 Ca -0.01 -1.23 0.00 0.00 -0.02 0.00 0.00 54.58 53.31 2vmi n ASN 942 Cb 0.38 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.80 2vmi n ASN 942 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2vmi n GLY 943 N 0.70 3.23 3.91 4.83 0.00 -0.93 -5.05 105.19 111.88 2vmi n GLY 943 Ca 0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.89 2vmi n GLY 943 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2vmi s GLU 944 N -0.48 3.04 0.48 1.61 0.41 -1.26 -4.68 118.70 117.82 2vmi s GLU 944 Ca 0.00 0.16 -0.22 0.00 -0.41 0.00 0.00 54.97 54.50 2vmi s GLU 944 Cb 0.00 -2.23 -0.07 0.00 -1.78 0.00 0.00 34.13 30.05 2vmi s GLU 944 CO 0.00 -0.68 1.11 0.15 -0.49 0.00 0.00 175.26 175.35 2vmi s LYS 945 N -5.03 3.72 -0.16 1.61 1.02 -1.26 -0.03 119.74 119.61 2vmi s LYS 945 Ca 0.54 1.61 -0.00 0.00 0.02 0.00 0.00 55.97 58.13 2vmi s LYS 945 Cb -0.11 -2.26 -0.00 0.00 -0.52 0.00 0.00 37.83 34.94 2vmi s LYS 945 CO 0.47 -0.54 -0.14 0.08 -0.92 0.00 0.00 175.35 174.29 2vmi s VAL 946 N -1.71 2.74 0.04 3.17 1.01 0.13 -4.71 120.40 121.08 2vmi s VAL 946 Ca 0.66 -0.74 -0.03 0.00 0.00 0.00 0.00 61.98 61.87 2vmi s VAL 946 Cb -0.24 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 33.93 2vmi s VAL 946 CO 0.28 0.51 0.24 -0.44 0.00 0.00 0.00 175.10 175.70 2vmi s SER 947 N 0.85 6.42 -0.10 3.32 0.01 -1.26 -0.50 113.70 122.44 2vmi s SER 947 Ca -0.04 0.42 0.01 0.00 1.31 0.00 0.00 55.95 57.64 2vmi s SER 947 Cb -0.15 -2.03 0.02 0.00 0.21 0.00 0.00 66.02 64.07 2vmi s SER 947 CO -0.00 0.20 -0.10 -0.31 0.41 0.00 0.00 173.24 173.43 2vmi s TYR 948 N -1.43 1.51 0.19 2.43 2.02 -0.21 -4.99 117.35 116.87 2vmi s TYR 948 Ca 0.32 -0.69 -0.09 0.00 -0.37 0.00 0.00 57.07 56.24 2vmi s TYR 948 Cb -0.13 -1.19 0.09 0.00 -0.40 0.00 0.00 41.96 40.33 2vmi s TYR 948 CO 0.22 -0.43 1.68 0.22 -1.57 0.00 0.00 175.55 175.67 2vmi h ASP 949 N 7.70 1.04 -3.42 2.29 3.58 -1.93 -3.31 116.42 122.37 2vmi h ASP 949 Ca -0.31 -0.26 -0.66 0.00 0.42 0.00 0.00 57.03 56.22 2vmi h ASP 949 Cb 1.15 -0.27 -0.19 0.00 1.72 0.00 0.00 39.33 41.74 2vmi h ASP 949 CO 0.44 1.03 -0.83 -0.54 -2.88 0.00 0.00 179.24 176.47 2vmi s LYS 950 N -5.21 1.55 0.00 0.28 -0.14 -1.26 -4.80 119.74 110.16 2vmi s LYS 950 Ca -0.12 -1.43 0.00 0.00 -1.36 0.00 0.00 55.97 53.06 2vmi s LYS 950 Cb 0.14 -1.91 0.00 0.00 -1.68 0.00 0.00 37.83 34.38 2vmi s LYS 950 CO 0.85 0.42 0.00 0.41 -0.76 0.00 0.00 175.35 176.27 2vmi n GLY 951 N 0.47 -1.25 2.94 -3.33 0.00 -1.26 -0.32 105.19 102.44 2vmi n GLY 951 Ca -0.14 -1.21 -0.25 0.00 0.00 0.00 0.00 46.02 44.42 2vmi n GLY 951 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2vmi s ILE 952 N -3.00 0.95 -0.18 -0.61 -1.09 -0.47 -0.24 121.20 116.56 2vmi s ILE 952 Ca 0.00 -0.31 -0.05 0.00 -2.23 0.00 0.00 60.65 58.06 2vmi s ILE 952 Cb 0.00 -0.93 -0.03 0.00 -1.58 0.00 0.00 42.46 39.92 2vmi s ILE 952 CO 0.00 0.33 -0.01 -0.83 -1.23 0.00 0.00 174.94 173.21 2vmi s GLY 953 N 1.19 1.74 0.05 6.18 0.00 -0.23 -0.65 107.32 115.60 2vmi s GLY 953 Ca -0.05 -0.90 0.00 0.00 0.00 0.00 0.00 44.72 43.78 2vmi s GLY 953 CO -0.02 0.10 0.06 -0.37 0.00 0.00 0.00 173.10 172.87 2vmi n THR 954 N 3.89 0.00 -3.76 0.90 5.66 -0.14 -0.88 114.28 119.95 2vmi n THR 954 Ca -0.17 -0.31 -0.13 0.00 -3.05 0.00 0.00 64.05 60.38 2vmi n THR 954 Cb 0.52 0.17 -0.14 0.00 -1.55 0.00 0.00 70.33 69.33 2vmi n THR 954 CO 0.00 0.00 0.00 -2.28 -3.05 0.00 0.00 175.07 169.74 2vmi s HIS 955 N -3.55 -0.16 0.51 1.09 2.46 -1.26 -1.23 115.29 113.16 2vmi s HIS 955 Ca 0.05 0.46 -0.22 0.00 0.47 0.00 0.00 55.06 55.81 2vmi s HIS 955 Cb 0.00 -0.07 -0.07 0.00 -0.13 0.00 0.00 32.58 32.31 2vmi s HIS 955 CO 0.04 -0.15 1.22 0.00 -2.47 0.00 0.00 174.74 173.37 2vmi n ALA 956 N 4.05 1.08 -2.68 1.58 0.00 -0.29 -1.29 120.51 122.96 2vmi n ALA 956 Ca -0.25 0.15 -0.41 0.00 0.00 0.00 0.00 53.44 52.93 2vmi n ALA 956 Cb 0.53 -2.25 -0.04 0.00 0.00 0.00 0.00 19.45 17.69 2vmi n ALA 956 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2vmi s HIS 957 N -1.31 3.65 -0.01 0.00 5.65 -1.26 -3.51 115.29 118.50 2vmi s HIS 957 Ca 0.69 1.59 0.03 0.00 0.25 0.00 0.00 55.06 57.62 2vmi s HIS 957 Cb -0.45 -3.03 -0.01 0.00 -1.18 0.00 0.00 32.58 27.91 2vmi s HIS 957 CO 0.52 0.03 -0.11 0.45 -0.65 0.00 0.00 174.74 174.98 2vmi s SER 958 N 0.88 1.30 -0.07 9.88 0.15 -0.24 -2.55 113.70 123.06 2vmi s SER 958 Ca 0.48 -0.20 -0.01 0.00 0.70 0.00 0.00 55.95 56.92 2vmi s SER 958 Cb -0.20 -0.21 0.03 0.00 -1.71 0.00 0.00 66.02 63.93 2vmi s SER 958 CO 0.26 0.12 -0.01 -1.61 1.20 0.00 0.00 173.24 173.19 2vmi s GLU 959 N -0.13 0.68 -0.10 5.44 2.02 -1.06 -0.73 118.70 124.82 2vmi s GLU 959 Ca 0.02 0.06 0.02 0.00 0.02 0.00 0.00 54.97 55.09 2vmi s GLU 959 Cb -0.06 -0.98 0.01 0.00 0.10 0.00 0.00 34.13 33.21 2vmi s GLU 959 CO -0.00 -0.27 -0.16 0.42 0.02 0.00 0.00 175.26 175.27 2vmi s ILE 960 N 1.80 1.52 -0.12 -1.63 1.01 0.31 -1.16 121.20 122.93 2vmi s ILE 960 Ca 0.03 -0.67 0.03 0.00 0.00 0.00 0.00 60.65 60.04 2vmi s ILE 960 Cb -0.13 -1.38 0.01 0.00 0.01 0.00 0.00 42.46 40.98 2vmi s ILE 960 CO -0.05 0.44 -0.22 -0.69 0.00 0.00 0.00 174.94 174.42 2vmi s VAL 961 N 0.84 2.02 -0.09 2.92 1.01 -0.35 -0.44 120.40 126.31 2vmi s VAL 961 Ca -0.10 -0.97 0.04 0.00 0.00 0.00 0.00 61.98 60.95 2vmi s VAL 961 Cb -0.15 -1.77 -0.01 0.00 0.00 0.00 0.00 36.38 34.44 2vmi s VAL 961 CO 0.01 0.55 -0.21 -0.31 0.00 0.00 0.00 175.10 175.14 2vmi s TYR 962 N 0.64 2.59 0.24 5.22 2.02 0.68 -0.02 117.35 128.72 2vmi s TYR 962 Ca -0.12 -0.72 -0.30 0.00 -0.37 0.00 0.00 57.07 55.56 2vmi s TYR 962 Cb -0.16 -1.69 -0.09 0.00 -0.40 0.00 0.00 41.96 39.62 2vmi s TYR 962 CO 0.02 -0.22 1.10 0.45 -1.57 0.00 0.00 175.55 175.33 2vmi s SER 963 N 0.02 7.27 0.00 2.29 0.15 -1.26 -0.61 113.70 121.57 2vmi s SER 963 Ca -0.08 2.20 0.20 0.00 0.70 0.00 0.00 55.95 58.97 2vmi s SER 963 Cb -0.15 -2.62 0.56 0.00 -1.71 0.00 0.00 66.02 62.10 2vmi s SER 963 CO 0.05 -0.17 1.47 0.18 1.20 0.00 0.00 173.24 175.97 2vmi n LEU 964 N 1.67 3.70 -4.74 3.45 4.77 0.66 -4.91 117.00 121.60 2vmi n LEU 964 Ca 0.00 -1.99 -0.42 0.00 -0.03 0.00 0.00 56.01 53.58 2vmi n LEU 964 Cb 0.45 -0.42 -0.02 0.00 -2.33 0.00 0.00 43.42 41.10 2vmi n LEU 964 CO 0.54 0.92 1.31 -1.61 -1.33 0.00 0.00 177.39 177.23 2vmi s GLU 965 N -1.01 4.11 -0.58 3.23 2.02 -1.26 -1.39 118.70 123.83 2vmi s GLU 965 Ca 0.43 2.61 0.00 0.00 0.02 0.00 0.00 54.97 58.03 2vmi s GLU 965 Cb 0.22 -3.04 0.00 0.00 0.10 0.00 0.00 34.13 31.41 2vmi s GLU 965 CO 0.29 -0.70 0.00 0.41 0.02 0.00 0.00 175.26 175.28 2vmi n GLY 966 N 2.98 0.71 0.48 -1.39 0.00 -1.26 -4.85 105.19 101.85 2vmi n GLY 966 Ca 0.12 -0.21 0.05 0.00 0.00 0.00 0.00 46.02 45.98 2vmi n GLY 966 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2vmi n LEU 967 N -0.62 1.27 0.00 0.99 4.77 -0.49 -4.81 117.00 118.12 2vmi n LEU 967 Ca -0.05 -2.20 0.10 0.00 -0.03 0.00 0.00 56.01 53.82 2vmi n LEU 967 Cb 0.34 -0.21 0.57 0.00 -2.33 0.00 0.00 43.42 41.78 2vmi n LEU 967 CO 0.08 0.58 0.77 -0.90 -1.33 0.00 0.00 177.39 176.58 2vmi n ASP 968 N -0.58 0.00 0.25 -1.43 5.75 -1.23 -2.89 116.55 116.41 2vmi n ASP 968 Ca 0.09 -0.64 0.10 0.00 -0.01 0.00 0.00 54.79 54.32 2vmi n ASP 968 Cb 0.73 0.00 0.64 0.00 -1.03 0.00 0.00 41.12 41.46 2vmi n ASP 968 CO 0.00 0.00 0.00 1.88 -0.11 0.00 0.00 177.20 178.97 2vmi h TYR 969 N 0.00 0.00 -2.98 2.11 0.05 -1.92 -3.46 116.97 110.77 2vmi h TYR 969 Ca 0.00 0.00 -0.60 0.00 0.05 0.00 0.00 58.73 58.18 2vmi h TYR 969 Cb 0.00 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 37.70 2vmi h TYR 969 CO 0.00 0.14 -0.44 0.71 -1.05 0.00 0.00 178.16 177.53 2vmi s TYR 970 N -4.40 3.50 -0.13 4.88 2.02 -1.14 -5.04 117.35 117.04 2vmi s TYR 970 Ca -0.03 0.34 0.10 0.00 -0.37 0.00 0.00 57.07 57.11 2vmi s TYR 970 Cb 0.14 -1.84 -0.23 0.00 -0.40 0.00 0.00 41.96 39.63 2vmi s TYR 970 CO 0.63 0.53 0.32 -0.25 -1.57 0.00 0.00 175.55 175.21 2vmi n ASP 971 N 0.18 0.91 -3.96 2.29 8.00 -0.12 -4.57 116.55 119.28 2vmi n ASP 971 Ca -0.04 0.18 -0.11 0.00 0.71 0.00 0.00 54.79 55.53 2vmi n ASP 971 Cb 0.51 0.12 -0.12 0.00 -0.02 0.00 0.00 41.12 41.62 2vmi n ASP 971 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2vmi s TYR 972 N -2.55 0.28 -0.17 1.24 2.02 0.02 -1.07 117.35 117.11 2vmi s TYR 972 Ca -0.13 -0.36 -0.13 0.00 -0.37 0.00 0.00 57.07 56.08 2vmi s TYR 972 Cb 0.07 -0.19 -0.05 0.00 -0.40 0.00 0.00 41.96 41.40 2vmi s TYR 972 CO 0.79 -0.11 0.27 0.12 -1.57 0.00 0.00 175.55 175.05 2vmi s PHE 973 N -0.98 3.45 -0.02 2.71 5.36 -0.09 -1.22 117.98 127.19 2vmi s PHE 973 Ca -0.10 0.55 0.03 0.00 -0.96 0.00 0.00 56.93 56.45 2vmi s PHE 973 Cb -0.07 -2.31 -0.00 0.00 -0.34 0.00 0.00 43.02 40.30 2vmi s PHE 973 CO -0.00 0.24 -0.11 -1.21 -1.46 0.00 0.00 175.22 172.68 2vmi s GLU 974 N 0.48 1.04 0.10 10.12 2.02 -0.24 -1.34 118.70 130.88 2vmi s GLU 974 Ca 0.15 -0.37 -0.25 0.00 0.02 0.00 0.00 54.97 54.52 2vmi s GLU 974 Cb -0.13 -0.97 0.08 0.00 0.10 0.00 0.00 34.13 33.21 2vmi s GLU 974 CO 0.03 0.17 0.66 -0.08 0.02 0.00 0.00 175.26 176.06 2vmi s THR 975 N 0.03 0.00 0.07 3.63 -1.32 -0.84 -0.88 115.64 116.33 2vmi s THR 975 Ca -0.01 0.00 -0.01 0.00 -1.21 0.00 0.00 61.69 60.47 2vmi s THR 975 Cb -0.08 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.87 2vmi s THR 975 CO 0.00 0.00 0.23 -0.36 -2.21 0.00 0.00 174.62 172.28 2vmi s PHE 976 N -3.24 3.51 0.03 9.09 0.08 -0.04 0.03 117.98 127.45 2vmi s PHE 976 Ca -0.00 0.29 0.03 0.00 0.12 0.00 0.00 56.93 57.37 2vmi s PHE 976 Cb -0.01 -1.79 -0.02 0.00 -0.57 0.00 0.00 43.02 40.63 2vmi s PHE 976 CO -0.09 0.57 -0.09 0.14 -0.10 0.00 0.00 175.22 175.65 2vmi s VAL 977 N -1.53 0.69 0.00 -0.44 -7.23 0.52 -0.62 120.40 111.79 2vmi s VAL 977 Ca 0.36 -0.91 0.00 0.00 -1.81 0.00 0.00 61.98 59.62 2vmi s VAL 977 Cb -0.13 -0.68 0.00 0.00 0.56 0.00 0.00 36.38 36.13 2vmi s VAL 977 CO 0.27 -0.18 0.00 0.61 -0.31 0.00 0.00 175.10 175.49 2vmi n GLY 978 N 1.84 -0.59 3.69 2.32 0.00 -1.13 -1.47 105.19 109.86 2vmi n GLY 978 Ca -0.20 -1.02 -0.42 0.00 0.00 0.00 0.00 46.02 44.38 2vmi n GLY 978 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2vmi s VAL 979 N -2.00 2.87 0.09 1.61 1.01 -1.26 -2.03 120.40 120.70 2vmi s VAL 979 Ca 0.00 0.40 -0.31 0.00 0.00 0.00 0.00 61.98 62.08 2vmi s VAL 979 Cb 0.00 -3.26 -0.10 0.00 0.00 0.00 0.00 36.38 33.02 2vmi s VAL 979 CO 0.00 0.00 1.85 -0.62 0.00 0.00 0.00 175.10 176.34 2vmi s ASP 980 N 2.23 6.45 0.00 3.32 2.15 0.03 -4.43 116.67 126.42 2vmi s ASP 980 Ca 0.74 2.71 0.13 0.00 0.43 0.00 0.00 52.55 56.56 2vmi s ASP 980 Cb -0.42 -2.56 0.71 0.00 -0.30 0.00 0.00 42.92 40.36 2vmi s ASP 980 CO 0.33 -1.01 1.23 0.00 -0.17 0.00 0.00 175.17 175.55 2vmi n GLN 981 N 6.21 0.31 0.00 4.34 1.13 -0.18 -4.10 117.38 125.09 2vmi n GLN 981 Ca 0.18 0.07 0.00 0.00 -1.94 0.00 0.00 57.00 55.31 2vmi n GLN 981 Cb 0.39 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.24 2vmi n GLN 981 CO 0.00 0.00 0.00 -0.85 -1.44 0.00 0.00 177.06 174.77 2vmi n GLU 982 N -1.11 0.00 0.00 -1.09 0.28 -1.26 -4.93 120.64 112.53 2vmi n GLU 982 Ca 0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.08 2vmi n GLU 982 Cb 0.06 -1.45 0.00 0.00 1.43 0.00 0.00 31.44 31.49 2vmi n GLU 982 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2vmi n ALA 984 N 1.38 -1.86 -0.45 -1.84 0.00 -1.26 -5.05 120.51 111.44 2vmi n ALA 984 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2vmi n ALA 984 Cb 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 19.45 18.98 2vmi n ALA 984 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2vmi n GLY 985 N -0.66 0.79 3.33 0.00 0.00 -1.26 -5.04 105.19 102.34 2vmi n GLY 985 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 2vmi n GLY 985 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2vmi n THR 986 N -2.00 0.00 1.89 2.61 -2.24 -1.26 -5.00 114.28 108.28 2vmi n THR 986 Ca 0.00 -1.65 0.07 0.00 -2.27 0.00 0.00 64.05 60.20 2vmi n THR 986 Cb 0.00 -0.58 0.44 0.00 -2.10 0.00 0.00 70.33 68.09 2vmi n THR 986 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 2vmi n VAL 987 N -2.07 0.00 -1.54 2.28 3.14 -1.26 -4.63 118.33 114.25 2vmi n VAL 987 Ca 0.14 0.00 -0.56 0.00 -2.96 0.00 0.00 64.34 60.96 2vmi n VAL 987 Cb 0.51 -0.27 -0.07 0.00 -1.06 0.00 0.00 33.84 32.95 2vmi n VAL 987 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2vmi n ALA 988 N -0.74 -2.48 -3.38 1.55 0.00 -1.26 -4.92 120.51 109.28 2vmi n ALA 988 Ca 0.11 0.56 -0.01 0.00 0.00 0.00 0.00 53.44 54.11 2vmi n ALA 988 Cb 0.05 -1.90 -0.04 0.00 0.00 0.00 0.00 19.45 17.57 2vmi n ALA 988 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2vmi s SER 989 N 0.20 -0.96 0.21 0.00 1.04 -1.26 -3.36 113.70 109.57 2vmi s SER 989 Ca 0.88 1.01 -0.06 0.00 0.48 0.00 0.00 55.95 58.26 2vmi s SER 989 Cb -1.13 1.97 -0.03 0.00 0.10 0.00 0.00 66.02 66.94 2vmi s SER 989 CO 0.53 -0.25 0.26 0.27 0.98 0.00 0.00 173.24 175.03 2vmi s ILE 990 N 2.80 0.00 0.04 -1.02 -4.36 -1.26 -2.52 121.20 114.89 2vmi s ILE 990 Ca 0.09 -1.76 0.00 0.00 -0.26 0.00 0.00 60.65 58.72 2vmi s ILE 990 Cb -0.14 -2.36 -0.03 0.00 1.25 0.00 0.00 42.46 41.18 2vmi s ILE 990 CO -0.19 -0.02 -0.04 -0.94 0.24 0.00 0.00 174.94 173.99 2vmi s SER 991 N -3.10 0.53 -0.12 4.36 1.04 -0.86 -4.33 113.70 111.22 2vmi s SER 991 Ca 0.32 -0.72 -0.01 0.00 0.48 0.00 0.00 55.95 56.01 2vmi s SER 991 Cb 0.04 0.12 -0.02 0.00 0.10 0.00 0.00 66.02 66.26 2vmi s SER 991 CO 0.10 -0.40 -0.09 -0.36 0.98 0.00 0.00 173.24 173.48 2vmi s PHE 992 N -2.47 2.90 0.04 5.02 0.08 -1.26 -0.51 117.98 121.79 2vmi s PHE 992 Ca -0.04 -0.35 0.06 0.00 0.12 0.00 0.00 56.93 56.71 2vmi s PHE 992 Cb -0.03 -1.84 -0.02 0.00 -0.57 0.00 0.00 43.02 40.56 2vmi s PHE 992 CO -0.04 -0.01 -0.17 -1.21 -0.10 0.00 0.00 175.22 173.69 2vmi s GLU 993 N 0.04 1.11 -0.05 0.44 2.02 -0.10 -1.14 118.70 121.02 2vmi s GLU 993 Ca -0.02 -0.83 0.04 0.00 0.02 0.00 0.00 54.97 54.17 2vmi s GLU 993 Cb -0.14 -1.16 0.00 0.00 0.10 0.00 0.00 34.13 32.93 2vmi s GLU 993 CO 0.03 0.29 -0.16 0.08 0.02 0.00 0.00 175.26 175.53 2vmi s VAL 994 N -0.83 1.33 0.02 2.63 1.01 -0.54 -0.35 120.40 123.67 2vmi s VAL 994 Ca 0.04 -0.64 0.07 0.00 0.00 0.00 0.00 61.98 61.45 2vmi s VAL 994 Cb -0.08 -1.16 -0.03 0.00 0.00 0.00 0.00 36.38 35.11 2vmi s VAL 994 CO 0.01 0.39 -0.22 -0.31 0.00 0.00 0.00 175.10 174.98 2vmi s TYR 995 N 0.19 2.46 -0.13 5.22 2.02 0.39 -0.21 117.35 127.29 2vmi s TYR 995 Ca -0.07 -0.33 0.01 0.00 -0.37 0.00 0.00 57.07 56.32 2vmi s TYR 995 Cb -0.12 -1.47 0.02 0.00 -0.40 0.00 0.00 41.96 39.98 2vmi s TYR 995 CO 0.03 0.15 -0.15 -0.51 -1.57 0.00 0.00 175.55 173.49 2vmi s LEU 996 N -1.12 1.74 0.00 -1.29 1.43 -0.55 -0.93 118.68 117.96 2vmi s LEU 996 Ca 0.12 -0.47 0.00 0.00 -1.03 0.00 0.00 54.13 52.75 2vmi s LEU 996 Cb -0.10 -1.17 0.00 0.00 0.03 0.00 0.00 46.19 44.95 2vmi s LEU 996 CO 0.02 -0.01 0.00 0.47 0.23 0.00 0.00 176.35 177.06 2vmi n ASP 997 N 4.47 0.00 -2.07 2.29 10.43 -0.36 -2.33 116.55 128.98 2vmi n ASP 997 Ca -0.18 0.00 -0.25 0.00 2.57 0.00 0.00 54.79 56.93 2vmi n ASP 997 Cb 0.51 0.00 0.13 0.00 1.84 0.00 0.00 41.12 43.60 2vmi n ASP 997 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 2vmi n ASN 998 N 2.36 5.15 -3.95 -2.24 3.02 -1.26 -4.90 115.26 113.43 2vmi n ASN 998 Ca 0.00 -3.72 -0.12 0.00 -0.03 0.00 0.00 54.58 50.71 2vmi n ASN 998 Cb 0.00 -0.81 -0.13 0.00 -0.61 0.00 0.00 39.78 38.23 2vmi n ASN 998 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 2vmi s GLU 999 N -3.52 0.26 0.14 3.52 -1.05 -0.98 -5.12 118.70 111.95 2vmi s GLU 999 Ca 0.57 -0.35 -0.31 0.00 -0.15 0.00 0.00 54.97 54.73 2vmi s GLU 999 Cb 0.47 -0.09 -0.08 0.00 -0.44 0.00 0.00 34.13 33.99 2vmi s GLU 999 CO 0.04 0.01 1.35 0.21 0.95 0.00 0.00 175.26 177.82 2vmi s LYS 1000N -0.74 4.35 -0.00 -4.83 2.20 -1.26 -1.48 119.74 117.97 2vmi s LYS 1000Ca -0.06 2.05 0.04 0.00 -0.36 0.00 0.00 55.97 57.64 2vmi s LYS 1000Cb -0.05 -3.23 -0.05 0.00 -1.51 0.00 0.00 37.83 32.98 2vmi s LYS 1000CO -0.00 -0.36 0.11 1.33 -0.36 0.00 0.00 175.35 176.06 2vmi n VAL 1001N 3.45 0.00 -3.78 4.02 0.24 0.70 -4.92 118.33 118.04 2vmi n VAL 1001Ca 0.09 -0.18 -0.13 0.00 -2.04 0.00 0.00 64.34 62.08 2vmi n VAL 1001Cb 0.43 0.59 -0.12 0.00 -1.47 0.00 0.00 33.84 33.27 2vmi n VAL 1001CO 0.00 0.00 0.00 0.12 -2.14 0.00 0.00 176.83 174.81 2vmi s PHE 1002N -2.00 -0.27 -0.14 6.34 5.36 -1.00 -4.96 117.98 121.32 2vmi s PHE 1002Ca -0.01 0.67 -0.04 0.00 -0.96 0.00 0.00 56.93 56.59 2vmi s PHE 1002Cb 0.03 0.09 0.06 0.00 -0.34 0.00 0.00 43.02 42.86 2vmi s PHE 1002CO 0.16 -0.14 0.17 0.34 -1.46 0.00 0.00 175.22 174.29 2vmi s ASP 1003N 0.24 1.19 0.51 6.13 -1.08 -1.26 -1.47 116.67 120.93 2vmi s ASP 1003Ca -0.01 0.02 0.30 0.00 -0.52 0.00 0.00 52.55 52.33 2vmi s ASP 1003Cb -0.03 0.24 1.12 0.00 -1.46 0.00 0.00 42.92 42.79 2vmi s ASP 1003CO -0.01 -0.29 1.90 0.77 0.52 0.00 0.00 175.17 178.06 2vmi h SER 1004N 8.36 0.00 -0.90 -0.34 4.64 -1.52 -3.49 113.55 120.30 2vmi h SER 1004Ca -0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 2vmi h SER 1004Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 2vmi h SER 1004CO 0.21 0.06 0.00 0.61 -0.87 0.00 0.00 176.83 176.84 2vmi n GLY 1005N 0.20 -0.57 3.42 -0.77 0.00 -1.26 -4.95 105.19 101.26 2vmi n GLY 1005Ca 0.01 -0.98 -0.30 0.00 0.00 0.00 0.00 46.02 44.75 2vmi n GLY 1005CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2vmi s LEU 1006N 0.00 -0.37 0.00 0.99 2.96 -1.26 -4.38 118.68 116.62 2vmi s LEU 1006Ca 0.00 0.77 -0.07 0.00 -0.22 0.00 0.00 54.13 54.61 2vmi s LEU 1006Cb 0.00 -2.31 0.03 0.00 0.50 0.00 0.00 46.19 44.40 2vmi s LEU 1006CO 0.00 -4.88 0.34 0.35 -1.32 0.00 0.00 176.35 170.84 2vmi n THR 1008N -5.29 0.00 -0.04 3.68 -2.24 -1.26 -4.99 114.28 104.13 2vmi n THR 1008Ca 0.13 -0.32 0.17 0.00 -2.27 0.00 0.00 64.05 61.76 2vmi n THR 1008Cb 0.60 0.35 0.62 0.00 -2.10 0.00 0.00 70.33 69.80 2vmi n THR 1008CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 2vmi h GLY 1009N 0.77 0.24 -2.10 3.38 0.00 -1.81 -2.13 103.07 101.42 2vmi h GLY 1009Ca -0.12 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.14 2vmi h GLY 1009CO 0.16 0.03 0.00 1.22 0.00 0.00 0.00 176.54 177.95 2vmi n ASP 1010N -4.42 3.44 -4.69 0.19 8.00 -1.26 -4.81 116.55 112.99 2vmi n ASP 1010Ca 0.10 -1.97 -0.42 0.00 0.71 0.00 0.00 54.79 53.21 2vmi n ASP 1010Cb 0.54 -0.33 -0.03 0.00 -0.02 0.00 0.00 41.12 41.28 2vmi n ASP 1010CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2vmi s THR 1011N -1.11 4.56 0.35 -3.53 2.01 -0.80 -4.97 115.64 112.15 2vmi s THR 1011Ca 0.37 1.85 -0.28 0.00 0.31 0.00 0.00 61.69 63.94 2vmi s THR 1011Cb 0.20 -4.19 -0.11 0.00 0.01 0.00 0.00 72.50 68.41 2vmi s THR 1011CO 0.27 0.01 1.49 0.41 -0.69 0.00 0.00 174.62 176.11 2vmi n THR 1012N 4.54 1.77 -1.23 -0.82 -1.04 -1.26 -4.61 114.28 111.63 2vmi n THR 1012Ca 0.10 -0.44 -0.36 0.00 -2.04 0.00 0.00 64.05 61.31 2vmi n THR 1012Cb 0.48 -1.93 0.08 0.00 -1.82 0.00 0.00 70.33 67.14 2vmi n THR 1012CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2vmi n GLN 1013N 0.85 0.28 -4.71 -2.82 10.64 0.65 -4.98 117.38 117.29 2vmi n GLN 1013Ca 0.03 0.14 -0.30 0.00 -1.83 0.00 0.00 57.00 55.04 2vmi n GLN 1013Cb 0.38 -1.88 -0.14 0.00 -0.86 0.00 0.00 30.24 27.74 2vmi n GLN 1013CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.06 175.38 2vmi s LYS 1014N -2.90 1.69 -0.15 2.61 1.02 -0.54 -4.94 119.74 116.53 2vmi s LYS 1014Ca 0.66 -1.18 -0.07 0.00 0.02 0.00 0.00 55.97 55.40 2vmi s LYS 1014Cb -0.34 -1.97 -0.04 0.00 -0.52 0.00 0.00 37.83 34.96 2vmi s LYS 1014CO 0.58 0.49 0.09 -1.58 -0.92 0.00 0.00 175.35 174.01 2vmi s HIS 1015N -0.91 3.38 -0.14 3.18 5.65 -1.26 -0.36 115.29 124.84 2vmi s HIS 1015Ca 0.13 0.29 -0.02 0.00 0.25 0.00 0.00 55.06 55.71 2vmi s HIS 1015Cb -0.10 -2.01 -0.02 0.00 -1.18 0.00 0.00 32.58 29.26 2vmi s HIS 1015CO 0.04 0.41 -0.09 0.08 -0.65 0.00 0.00 174.74 174.53 2vmi s VAL 1016N -0.23 3.46 -0.27 0.89 1.01 0.10 -5.00 120.40 120.35 2vmi s VAL 1016Ca 0.09 -0.52 -0.02 0.00 0.00 0.00 0.00 61.98 61.54 2vmi s VAL 1016Cb -0.12 -2.48 0.12 0.00 0.00 0.00 0.00 36.38 33.91 2vmi s VAL 1016CO 0.01 0.52 0.26 -0.75 0.00 0.00 0.00 175.10 175.14 2vmi s LYS 1017N 0.26 0.28 0.02 2.72 2.20 -1.25 -1.98 119.74 122.00 2vmi s LYS 1017Ca -0.06 -0.10 0.07 0.00 -0.36 0.00 0.00 55.97 55.52 2vmi s LYS 1017Cb -0.15 -0.82 -0.02 0.00 -1.51 0.00 0.00 37.83 35.33 2vmi s LYS 1017CO 0.04 -0.94 -0.21 0.14 -0.36 0.00 0.00 175.35 174.02 2vmi s VAL 1018N 2.33 1.70 0.16 4.02 -7.23 -0.45 -4.98 120.40 115.95 2vmi s VAL 1018Ca 0.09 -1.11 -0.30 0.00 -1.81 0.00 0.00 61.98 58.85 2vmi s VAL 1018Cb -0.15 -1.45 -0.07 0.00 0.56 0.00 0.00 36.38 35.27 2vmi s VAL 1018CO -0.29 0.31 0.99 -2.16 -0.31 0.00 0.00 175.10 173.64 2vmi s PRO 1019N -0.94 4.71 0.00 4.82 0.04 -1.26 -0.91 135.00 141.46 2vmi s PRO 1019Ca 0.08 1.52 0.10 0.00 0.04 0.00 0.00 61.00 62.74 2vmi s PRO 1019Cb -0.09 -3.33 0.16 0.00 0.04 0.00 0.00 34.50 31.28 2vmi s PRO 1019CO 0.01 0.26 0.98 0.44 0.04 0.00 0.00 177.00 178.72 2vmi n ILE 1020N 2.36 0.39 -1.63 0.56 -5.35 -0.24 -4.88 119.36 110.58 2vmi n ILE 1020Ca 0.01 -0.70 -0.54 0.00 -0.27 0.00 0.00 62.75 61.26 2vmi n ILE 1020Cb 0.48 0.93 -0.06 0.00 -1.74 0.00 0.00 39.64 39.25 2vmi n ILE 1020CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2vmi n ALA 1021N 0.50 -0.63 -0.98 -1.28 0.00 -1.26 -1.73 120.51 115.12 2vmi n ALA 1021Ca 0.08 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.99 2vmi n ALA 1021Cb 0.31 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 17.62 2vmi n ALA 1021CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2vmi n GLY 1022N 3.12 0.48 3.79 0.00 0.00 -1.26 -5.01 105.19 106.31 2vmi n GLY 1022Ca 0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 2vmi n GLY 1022CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2vmi s LYS 1023N -0.35 3.00 -0.02 1.61 -0.14 -0.71 -5.03 119.74 118.11 2vmi s LYS 1023Ca 0.00 -0.60 0.15 0.00 -1.36 0.00 0.00 55.97 54.16 2vmi s LYS 1023Cb 0.00 -2.80 -0.23 0.00 -1.68 0.00 0.00 37.83 33.12 2vmi s LYS 1023CO 0.00 0.60 0.32 0.09 -0.76 0.00 0.00 175.35 175.59 2vmi n ASN 1024N 0.65 1.62 -3.79 2.83 3.02 -1.26 -4.82 115.26 113.51 2vmi n ASN 1024Ca -0.09 0.00 -0.14 0.00 -0.03 0.00 0.00 54.58 54.32 2vmi n ASN 1024Cb 0.52 1.65 -0.15 0.00 -0.61 0.00 0.00 39.78 41.19 2vmi n ASN 1024CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2vmi s THR 1025N -3.01 -0.04 -0.16 3.41 2.01 -1.26 -0.25 115.64 116.35 2vmi s THR 1025Ca -0.05 0.15 -0.01 0.00 0.31 0.00 0.00 61.69 62.09 2vmi s THR 1025Cb 0.09 -0.09 -0.01 0.00 0.01 0.00 0.00 72.50 72.50 2vmi s THR 1025CO 0.61 0.06 -0.12 -0.22 -0.69 0.00 0.00 174.62 174.27 2vmi s LEU 1026N 0.79 2.70 -0.10 4.42 2.96 0.22 -1.22 118.68 128.44 2vmi s LEU 1026Ca -0.06 -0.38 0.03 0.00 -0.22 0.00 0.00 54.13 53.50 2vmi s LEU 1026Cb -0.09 -1.63 0.01 0.00 0.50 0.00 0.00 46.19 44.98 2vmi s LEU 1026CO -0.03 0.10 -0.19 -0.75 -1.32 0.00 0.00 176.35 174.17 2vmi s LYS 1027N 0.74 2.49 -0.16 1.98 2.20 -0.11 -0.23 119.74 126.65 2vmi s LYS 1027Ca -0.05 -0.68 -0.05 0.00 -0.36 0.00 0.00 55.97 54.83 2vmi s LYS 1027Cb -0.15 -1.98 -0.03 0.00 -1.51 0.00 0.00 37.83 34.16 2vmi s LYS 1027CO 0.02 0.06 0.00 -0.51 -0.36 0.00 0.00 175.35 174.56 2vmi s LEU 1028N 0.63 3.50 -0.06 5.43 1.43 0.41 -0.46 118.68 129.56 2vmi s LEU 1028Ca -0.14 -0.02 0.03 0.00 -1.03 0.00 0.00 54.13 52.97 2vmi s LEU 1028Cb -0.16 -1.85 0.00 0.00 0.03 0.00 0.00 46.19 44.21 2vmi s LEU 1028CO 0.04 0.19 -0.15 -0.69 0.23 0.00 0.00 176.35 175.97 2vmi s VAL 1029N 0.23 1.32 -0.23 -1.59 1.01 0.53 -0.53 120.40 121.14 2vmi s VAL 1029Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.37 2vmi s VAL 1029Cb -0.13 -1.16 0.03 0.00 0.00 0.00 0.00 36.38 35.12 2vmi s VAL 1029CO 0.02 0.39 -0.12 -0.69 0.00 0.00 0.00 175.10 174.70 2vmi s VAL 1030N 0.33 2.43 0.39 2.92 1.01 0.09 -0.93 120.40 126.63 2vmi s VAL 1030Ca -0.10 -1.17 0.07 0.00 0.00 0.00 0.00 61.98 60.78 2vmi s VAL 1030Cb -0.14 -2.23 0.00 0.00 0.00 0.00 0.00 36.38 34.02 2vmi s VAL 1030CO 0.03 0.24 0.54 -0.54 0.00 0.00 0.00 175.10 175.37 2vmi s LYS 1031N 1.25 2.97 -0.16 2.72 1.02 0.34 -1.08 119.74 126.80 2vmi s LYS 1031Ca -0.01 -1.07 0.11 0.00 0.02 0.00 0.00 55.97 55.02 2vmi s LYS 1031Cb -0.16 -2.77 0.61 0.00 -0.52 0.00 0.00 37.83 34.99 2vmi s LYS 1031CO -0.07 -0.13 1.44 -0.40 -0.92 0.00 0.00 175.35 175.27 2vmi n ASP 1032N -1.78 4.41 0.00 2.83 5.75 -1.26 -2.03 116.55 124.47 2vmi n ASP 1032Ca 0.04 -2.62 0.00 0.00 -0.01 0.00 0.00 54.79 52.19 2vmi n ASP 1032Cb 0.59 -0.61 0.00 0.00 -1.03 0.00 0.00 41.12 40.06 2vmi n ASP 1032CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2vmi n GLY 1033N 0.58 0.22 1.51 6.12 0.00 -1.05 -3.29 105.19 109.28 2vmi n GLY 1033Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 2vmi n GLY 1033CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vmi n GLY 1034N -0.78 0.73 0.00 -0.02 0.00 -1.26 -4.87 105.19 98.98 2vmi n GLY 1034Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2vmi n GLY 1034CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2vmi n ASP 1035N 0.00 0.00 -3.80 1.61 5.68 -1.21 -5.14 116.55 113.69 2vmi n ASP 1035Ca 0.00 0.00 -0.16 0.00 -0.50 0.00 0.00 54.79 54.13 2vmi n ASP 1035Cb 0.00 0.00 -0.09 0.00 -1.14 0.00 0.00 41.12 39.89 2vmi n ASP 1035CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 2vmi s SER 1036N 0.64 0.89 0.00 -1.12 1.04 -1.26 -5.04 113.70 108.85 2vmi s SER 1036Ca 0.00 -1.57 0.22 0.00 0.48 0.00 0.00 55.95 55.09 2vmi s SER 1036Cb 0.00 0.46 1.34 0.00 0.10 0.00 0.00 66.02 67.92 2vmi s SER 1036CO 0.00 -0.94 1.85 2.30 0.98 0.00 0.00 173.24 177.43 2vmi n ILE 1037N -0.44 0.00 -1.69 -1.02 -5.35 -1.26 -4.79 119.36 104.81 2vmi n ILE 1037Ca 0.05 0.00 -0.43 0.00 -0.27 0.00 0.00 62.75 62.10 2vmi n ILE 1037Cb 0.64 -0.36 -0.03 0.00 -1.74 0.00 0.00 39.64 38.15 2vmi n ILE 1037CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2vmi n GLY 1038N 0.83 1.68 2.49 3.28 0.00 -1.26 -1.43 105.19 110.78 2vmi n GLY 1038Ca 0.17 0.73 -0.03 0.00 0.00 0.00 0.00 46.02 46.89 2vmi n GLY 1038CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2vmi n SER 1039N 5.82 -4.56 -3.28 1.61 7.64 -1.26 -4.01 113.62 115.58 2vmi n SER 1039Ca 0.18 0.08 -0.38 0.00 1.01 0.00 0.00 58.87 59.76 2vmi n SER 1039Cb 0.37 -2.33 -0.03 0.00 -1.01 0.00 0.00 64.21 61.21 2vmi n SER 1039CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2vmi n ASP 1040N -0.35 8.42 -4.57 6.43 8.00 -0.52 -4.34 116.55 129.62 2vmi n ASP 1040Ca -0.03 -2.71 -0.43 0.00 0.71 0.00 0.00 54.79 52.33 2vmi n ASP 1040Cb 0.30 -1.50 -0.05 0.00 -0.02 0.00 0.00 41.12 39.85 2vmi n ASP 1040CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 2vmi s HIS 1041N 1.25 3.00 -0.13 1.24 3.76 -1.26 -1.14 115.29 122.01 2vmi s HIS 1041Ca 0.66 0.40 0.00 0.00 -0.15 0.00 0.00 55.06 55.97 2vmi s HIS 1041Cb 0.19 -3.73 -0.01 0.00 1.11 0.00 0.00 32.58 30.14 2vmi s HIS 1041CO -0.07 -0.96 -0.14 0.20 -0.85 0.00 0.00 174.74 172.93 2vmi s GLY 1042N 2.10 1.53 0.01 -2.22 0.00 -0.36 -0.79 107.32 107.58 2vmi s GLY 1042Ca 0.34 -0.89 0.07 0.00 0.00 0.00 0.00 44.72 44.24 2vmi s GLY 1042CO 0.22 -0.22 -0.22 -0.56 0.00 0.00 0.00 173.10 172.33 2vmi s SER 1043N 0.31 2.57 -0.51 1.64 0.01 -0.86 -0.97 113.70 115.89 2vmi s SER 1043Ca -0.11 -0.45 -0.11 0.00 1.31 0.00 0.00 55.95 56.60 2vmi s SER 1043Cb -0.16 -0.26 0.13 0.00 0.21 0.00 0.00 66.02 65.94 2vmi s SER 1043CO 0.06 0.24 0.41 -0.36 0.41 0.00 0.00 173.24 173.99 2vmi s PHE 1044N -0.62 3.40 -0.06 2.43 0.08 0.17 -2.83 117.98 120.57 2vmi s PHE 1044Ca 0.08 -1.78 -0.27 0.00 0.12 0.00 0.00 56.93 55.08 2vmi s PHE 1044Cb -0.09 -3.58 -0.03 0.00 -0.57 0.00 0.00 43.02 38.76 2vmi s PHE 1044CO 0.00 -1.00 0.88 0.20 -0.10 0.00 0.00 175.22 175.21 2vmi s GLY 1045N 2.79 2.65 -1.58 4.36 0.00 0.21 -1.36 107.32 114.39 2vmi s GLY 1045Ca 0.06 0.33 0.00 0.00 0.00 0.00 0.00 44.72 45.11 2vmi s GLY 1045CO -0.00 1.56 0.00 1.34 0.00 0.00 0.00 173.10 176.00 2vmi n ASP 1046N 4.18 -4.92 -4.69 1.64 2.03 0.56 -0.86 116.55 114.50 2vmi n ASP 1046Ca 0.04 0.21 -0.42 0.00 0.52 0.00 0.00 54.79 55.14 2vmi n ASP 1046Cb 0.51 -3.93 -0.03 0.00 -0.72 0.00 0.00 41.12 36.94 2vmi n ASP 1046CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2vmi n ALA 1047N -0.12 2.25 -3.47 -1.67 0.00 -1.25 -4.58 120.51 111.68 2vmi n ALA 1047Ca -0.18 0.31 -0.12 0.00 0.00 0.00 0.00 53.44 53.45 2vmi n ALA 1047Cb 0.59 -2.60 -0.03 0.00 0.00 0.00 0.00 19.45 17.40 2vmi n ALA 1047CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 2vmi s LYS 1048N 2.76 1.09 -0.04 0.00 -2.85 -0.05 -1.35 119.74 119.29 2vmi s LYS 1048Ca 0.82 -0.25 -0.15 0.00 -1.00 0.00 0.00 55.97 55.38 2vmi s LYS 1048Cb -0.47 0.50 -0.05 0.00 -2.06 0.00 0.00 37.83 35.75 2vmi s LYS 1048CO 0.37 -0.44 0.42 -0.51 0.10 0.00 0.00 175.35 175.28 2vmi s LEU 1049N -2.28 4.41 0.00 2.77 1.43 0.37 -1.08 118.68 124.30 2vmi s LEU 1049Ca -0.01 0.90 0.00 0.00 -1.03 0.00 0.00 54.13 53.99 2vmi s LEU 1049Cb -0.01 -2.60 0.00 0.00 0.03 0.00 0.00 46.19 43.61 2vmi s LEU 1049CO -0.07 0.23 0.00 1.07 0.23 0.00 0.00 176.35 177.82