#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cqp s SER 912 N 0.00 5.79 -0.52 1.61 0.15 -1.26 -4.93 113.70 114.54 2cqp s SER 912 Ca 0.00 0.43 -0.27 0.00 0.70 0.00 0.00 55.95 56.81 2cqp s SER 912 Cb 0.00 -2.54 -0.03 0.00 -1.71 0.00 0.00 66.02 61.75 2cqp s SER 912 CO 0.00 -1.95 1.92 -0.55 1.20 0.00 0.00 173.24 173.86 2cqp s SER 913 N 5.95 5.32 -0.19 5.45 0.15 -1.26 -4.96 113.70 124.16 2cqp s SER 913 Ca 0.61 0.69 -0.12 0.00 0.70 0.00 0.00 55.95 57.83 2cqp s SER 913 Cb -0.13 -2.52 -0.05 0.00 -1.71 0.00 0.00 66.02 61.61 2cqp s SER 913 CO 0.24 -2.27 0.20 -0.83 1.20 0.00 0.00 173.24 171.78 2cqp s GLY 914 N 8.14 2.10 0.11 9.45 0.00 -1.26 -5.07 107.32 120.79 2cqp s GLY 914 Ca 0.75 -0.61 -0.28 0.00 0.00 0.00 0.00 44.72 44.58 2cqp s GLY 914 CO 0.25 0.29 0.88 -1.35 0.00 0.00 0.00 173.10 173.17 2cqp s SER 915 N 0.48 7.42 0.32 1.64 1.04 -1.26 -5.06 113.70 118.27 2cqp s SER 915 Ca 0.12 1.69 0.03 0.00 0.48 0.00 0.00 55.95 58.26 2cqp s SER 915 Cb -0.12 -2.54 -0.04 0.00 0.10 0.00 0.00 66.02 63.41 2cqp s SER 915 CO 0.01 0.01 0.13 -0.94 0.98 0.00 0.00 173.24 173.43 2cqp s SER 916 N -0.27 1.82 0.05 7.02 1.04 -1.26 -5.11 113.70 117.00 2cqp s SER 916 Ca 0.42 -1.52 0.00 0.00 0.48 0.00 0.00 55.95 55.34 2cqp s SER 916 Cb -0.23 0.30 0.00 0.00 0.10 0.00 0.00 66.02 66.19 2cqp s SER 916 CO 0.28 -0.82 0.00 0.61 0.98 0.00 0.00 173.24 174.28 2cqp n GLY 917 N -0.64 -0.11 3.42 7.32 0.00 -1.26 -5.12 105.19 108.81 2cqp n GLY 917 Ca -0.01 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.94 2cqp n GLY 917 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cqp s ALA 918 N -2.00 -1.47 -0.17 4.61 0.00 -1.26 -5.14 121.76 116.33 2cqp s ALA 918 Ca 0.00 1.87 -0.04 0.00 0.00 0.00 0.00 51.96 53.79 2cqp s ALA 918 Cb 0.00 -1.37 0.08 0.00 0.00 0.00 0.00 23.12 21.83 2cqp s ALA 918 CO 0.00 -0.63 0.28 0.45 0.00 0.00 0.00 175.76 175.85 2cqp s SER 919 N 2.27 0.55 0.03 0.00 0.15 -1.26 -5.15 113.70 110.29 2cqp s SER 919 Ca -0.06 0.37 0.04 0.00 0.70 0.00 0.00 55.95 57.01 2cqp s SER 919 Cb -0.10 0.72 -0.02 0.00 -1.71 0.00 0.00 66.02 64.91 2cqp s SER 919 CO -0.15 -0.27 -0.13 -0.94 1.20 0.00 0.00 173.24 172.95 2cqp s SER 920 N 2.43 1.49 0.87 5.45 1.04 -1.26 -5.15 113.70 118.57 2cqp s SER 920 Ca 0.04 -0.42 -0.11 0.00 0.48 0.00 0.00 55.95 55.94 2cqp s SER 920 Cb -0.13 -0.10 0.11 0.00 0.10 0.00 0.00 66.02 66.00 2cqp s SER 920 CO -0.11 0.03 1.09 -0.83 0.98 0.00 0.00 173.24 174.40 2cqp s GLY 921 N -1.02 1.62 0.02 7.32 0.00 -1.26 -5.08 107.32 108.91 2cqp s GLY 921 Ca 0.01 -0.11 -0.13 0.00 0.00 0.00 0.00 44.72 44.49 2cqp s GLY 921 CO 0.01 0.36 0.27 -1.59 0.00 0.00 0.00 173.10 172.16 2cqp s LYS 922 N -5.00 0.71 0.07 2.90 -2.85 -1.26 -5.18 119.74 109.14 2cqp s LYS 922 Ca 0.63 -0.40 -0.01 0.00 -1.00 0.00 0.00 55.97 55.19 2cqp s LYS 922 Cb -0.17 0.31 0.02 0.00 -2.06 0.00 0.00 37.83 35.93 2cqp s LYS 922 CO 0.56 -0.21 0.07 -0.35 0.10 0.00 0.00 175.35 175.52 2cqp n PRO 923 N 0.94 -1.15 0.00 1.78 -0.04 -1.26 -4.97 135.00 130.30 2cqp n PRO 923 Ca -0.20 -0.11 0.00 0.00 -0.04 0.00 0.00 63.50 63.15 2cqp n PRO 923 Cb 0.58 -0.10 0.00 0.00 -0.04 0.00 0.00 33.50 33.94 2cqp n PRO 923 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2cqp n GLY 924 N 2.00 -0.48 3.61 0.55 0.00 -1.26 -5.04 105.19 104.57 2cqp n GLY 924 Ca 0.01 -2.06 -0.30 0.00 0.00 0.00 0.00 46.02 43.67 2cqp n GLY 924 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cqp s PRO 925 N 0.00 -0.99 -0.31 1.61 0.04 -1.26 -5.00 135.00 129.10 2cqp s PRO 925 Ca 0.00 0.02 -0.19 0.00 0.04 0.00 0.00 61.00 60.87 2cqp s PRO 925 Cb 0.00 -1.62 -0.01 0.00 0.04 0.00 0.00 34.50 32.91 2cqp s PRO 925 CO 0.00 -3.57 0.55 0.99 0.04 0.00 0.00 177.00 175.01 2cqp s THR 926 N -3.00 5.00 -0.19 1.26 2.01 -0.09 -4.85 115.64 115.77 2cqp s THR 926 Ca 0.70 0.69 -0.14 0.00 0.31 0.00 0.00 61.69 63.26 2cqp s THR 926 Cb -0.11 -3.93 -0.04 0.00 0.01 0.00 0.00 72.50 68.42 2cqp s THR 926 CO 0.56 -0.10 0.30 -0.63 -0.69 0.00 0.00 174.62 174.06 2cqp s ILE 927 N 2.45 5.28 0.05 1.82 -1.09 -1.26 -0.16 121.20 128.29 2cqp s ILE 927 Ca 0.22 0.52 0.02 0.00 -2.23 0.00 0.00 60.65 59.17 2cqp s ILE 927 Cb -0.15 -3.63 -0.04 0.00 -1.58 0.00 0.00 42.46 37.06 2cqp s ILE 927 CO 0.12 0.33 0.07 -0.63 -1.23 0.00 0.00 174.94 173.60 2cqp s ILE 928 N 0.89 4.53 -0.18 2.92 1.01 0.11 -0.10 121.20 130.38 2cqp s ILE 928 Ca 0.15 -0.65 -0.02 0.00 0.00 0.00 0.00 60.65 60.13 2cqp s ILE 928 Cb -0.14 -3.13 -0.01 0.00 0.01 0.00 0.00 42.46 39.19 2cqp s ILE 928 CO 0.05 0.22 -0.09 -0.54 0.00 0.00 0.00 174.94 174.58 2cqp s LYS 929 N -2.10 3.37 -0.17 2.79 1.02 -0.26 -1.72 119.74 122.67 2cqp s LYS 929 Ca 0.26 -0.65 -0.05 0.00 0.02 0.00 0.00 55.97 55.54 2cqp s LYS 929 Cb -0.12 -2.83 -0.03 0.00 -0.52 0.00 0.00 37.83 34.33 2cqp s LYS 929 CO 0.18 -0.01 0.01 0.08 -0.92 0.00 0.00 175.35 174.69 2cqp s VAL 930 N 0.97 4.33 0.24 3.17 1.01 0.75 -1.85 120.40 129.02 2cqp s VAL 930 Ca -0.01 -0.20 0.00 0.00 0.00 0.00 0.00 61.98 61.77 2cqp s VAL 930 Cb -0.15 -2.93 -0.04 0.00 0.00 0.00 0.00 36.38 33.26 2cqp s VAL 930 CO -0.00 0.48 0.12 -1.58 0.00 0.00 0.00 175.10 174.12 2cqp s GLN 931 N 0.33 1.34 -0.79 2.72 0.74 -0.40 -1.91 119.66 121.69 2cqp s GLN 931 Ca -0.00 -1.72 -0.00 0.00 0.05 0.00 0.00 55.36 53.69 2cqp s GLN 931 Cb -0.13 -0.01 -0.00 0.00 1.10 0.00 0.00 33.01 33.97 2cqp s GLN 931 CO 0.02 -0.35 0.66 -1.71 -0.55 0.00 0.00 175.29 173.35 2cqp n ASN 932 N -0.43 -2.07 -4.32 6.67 4.05 -1.24 -0.13 115.26 117.79 2cqp n ASN 932 Ca 0.01 -0.41 -0.32 0.00 0.45 0.00 0.00 54.58 54.31 2cqp n ASN 932 Cb 0.66 -3.56 -0.15 0.00 1.23 0.00 0.00 39.78 37.96 2cqp n ASN 932 CO 0.00 0.00 0.00 -0.04 -3.05 0.00 0.00 177.26 174.17 2cqp s MET 933 N -4.89 2.98 0.96 1.20 -1.94 -1.07 -3.77 119.30 112.78 2cqp s MET 933 Ca 0.00 -0.79 -0.12 0.00 -1.71 0.00 0.00 55.69 53.07 2cqp s MET 933 Cb -0.00 -2.40 0.17 0.00 2.01 0.00 0.00 34.83 34.61 2cqp s MET 933 CO 0.48 0.30 1.09 -1.25 -0.01 0.00 0.00 175.02 175.63 2cqp s PRO 934 N 0.08 0.72 0.39 2.03 0.04 -1.26 -4.16 135.00 132.85 2cqp s PRO 934 Ca -0.08 0.63 0.13 0.00 0.04 0.00 0.00 61.00 61.72 2cqp s PRO 934 Cb -0.15 -1.76 0.81 0.00 0.04 0.00 0.00 34.50 33.43 2cqp s PRO 934 CO 0.05 -2.56 1.88 0.74 0.04 0.00 0.00 177.00 177.15 2cqp h PHE 935 N -1.77 0.00 -0.05 0.56 0.04 -1.99 -2.45 116.94 111.28 2cqp h PHE 935 Ca -0.53 0.00 0.01 0.00 2.80 0.00 0.00 57.97 60.26 2cqp h PHE 935 Cb 1.31 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.46 2cqp h PHE 935 CO 0.34 0.32 0.05 1.79 -0.60 0.00 0.00 178.31 180.20 2cqp h THR 936 N 0.00 0.66 -2.65 -1.55 1.35 -2.00 -3.43 112.91 105.28 2cqp h THR 936 Ca -0.00 0.00 -0.60 0.00 -0.55 0.00 0.00 66.41 65.26 2cqp h THR 936 Cb 0.56 0.96 0.12 0.00 -1.73 0.00 0.00 68.15 68.06 2cqp h THR 936 CO 0.04 0.00 0.14 0.52 -0.25 0.00 0.00 175.52 175.97 2cqp n VAL 937 N -4.05 2.07 -4.11 6.82 0.31 -0.92 -5.00 118.33 113.45 2cqp n VAL 937 Ca -0.02 -0.50 -0.11 0.00 -0.01 0.00 0.00 64.34 63.71 2cqp n VAL 937 Cb 0.14 -1.05 -0.09 0.00 -0.91 0.00 0.00 33.84 31.94 2cqp n VAL 937 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 2cqp s SER 938 N -0.60 0.11 0.24 4.52 0.01 -1.26 -5.03 113.70 111.69 2cqp s SER 938 Ca 0.59 -1.17 -0.06 0.00 1.31 0.00 0.00 55.95 56.63 2cqp s SER 938 Cb -0.66 0.41 0.33 0.00 0.21 0.00 0.00 66.02 66.32 2cqp s SER 938 CO 0.59 -0.89 1.84 0.40 0.41 0.00 0.00 173.24 175.60 2cqp h ILE 939 N 2.58 1.02 -0.37 1.44 2.04 -1.99 -0.39 117.51 121.85 2cqp h ILE 939 Ca -0.33 -0.32 -0.02 0.00 1.00 0.00 0.00 64.86 65.19 2cqp h ILE 939 Cb 1.24 0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.32 2cqp h ILE 939 CO 0.50 0.17 0.16 -0.78 0.00 0.00 0.00 178.15 178.19 2cqp h ASP 940 N 0.93 0.50 -0.59 1.72 1.82 -1.99 -1.45 116.42 117.35 2cqp h ASP 940 Ca 0.37 -0.15 -0.02 0.00 -0.39 0.00 0.00 57.03 56.83 2cqp h ASP 940 Cb 0.19 -0.13 -0.03 0.00 0.68 0.00 0.00 39.33 40.04 2cqp h ASP 940 CO -0.18 0.52 0.30 -0.33 -1.61 0.00 0.00 179.24 177.93 2cqp h GLU 941 N 0.45 0.84 -0.05 0.28 4.39 -1.81 -2.07 114.58 116.62 2cqp h GLU 941 Ca 0.12 -0.12 -0.00 0.00 0.34 0.00 0.00 59.36 59.71 2cqp h GLU 941 Cb 0.17 -0.16 -0.00 0.00 -0.10 0.00 0.00 28.75 28.66 2cqp h GLU 941 CO -0.01 0.67 0.03 0.82 -1.16 0.00 0.00 179.01 179.36 2cqp h ILE 942 N 0.80 1.05 -0.89 3.13 2.04 -0.91 0.92 117.51 123.65 2cqp h ILE 942 Ca 0.20 -0.14 0.08 0.00 1.00 0.00 0.00 64.86 66.00 2cqp h ILE 942 Cb 0.10 1.06 -0.07 0.00 -0.74 0.00 0.00 36.82 37.17 2cqp h ILE 942 CO -0.03 0.04 0.55 -0.07 0.00 0.00 0.00 178.15 178.64 2cqp h LEU 943 N 0.02 0.83 -0.74 1.44 3.38 -1.12 -0.84 115.31 118.28 2cqp h LEU 943 Ca 0.02 0.03 -0.13 0.00 0.09 0.00 0.00 57.88 57.88 2cqp h LEU 943 Cb 0.05 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 2cqp h LEU 943 CO -0.00 0.50 -0.59 -0.78 0.09 0.00 0.00 178.44 177.66 2cqp h ASP 944 N 0.95 0.14 -0.50 -0.43 1.82 -1.07 -3.05 116.42 114.28 2cqp h ASP 944 Ca 0.41 -0.08 -0.06 0.00 -0.39 0.00 0.00 57.03 56.91 2cqp h ASP 944 Cb 0.27 -0.04 -0.02 0.00 0.68 0.00 0.00 39.33 40.22 2cqp h ASP 944 CO -0.21 0.70 0.11 0.15 -1.61 0.00 0.00 179.24 178.39 2cqp h PHE 945 N 0.09 0.90 -0.37 0.28 3.04 0.57 -1.93 116.94 119.52 2cqp h PHE 945 Ca -0.01 -0.10 0.00 0.00 3.98 0.00 0.00 57.97 61.85 2cqp h PHE 945 Cb 1.07 -0.26 0.00 0.00 2.56 0.00 0.00 35.95 39.32 2cqp h PHE 945 CO 0.01 0.77 0.00 1.19 -2.02 0.00 0.00 178.31 178.26 2cqp n PHE 946 N -4.26 1.08 -1.40 0.41 3.01 -0.77 -4.97 117.46 110.56 2cqp n PHE 946 Ca 0.04 -0.40 -0.37 0.00 1.01 0.00 0.00 57.45 57.73 2cqp n PHE 946 Cb 0.25 -0.26 0.06 0.00 -0.01 0.00 0.00 39.48 39.52 2cqp n PHE 946 CO 0.00 0.00 0.00 0.98 1.01 0.00 0.00 176.76 178.75 2cqp n TYR 947 N 0.49 -0.23 0.00 1.38 9.36 -0.73 -2.38 117.16 125.05 2cqp n TYR 947 Ca 0.16 0.40 0.00 0.00 3.32 0.00 0.00 57.90 61.78 2cqp n TYR 947 Cb 0.70 -1.99 0.00 0.00 -0.63 0.00 0.00 39.34 37.42 2cqp n TYR 947 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2cqp n GLY 948 N 1.53 2.10 3.87 2.98 0.00 -1.26 -4.99 105.19 109.42 2cqp n GLY 948 Ca 0.12 -0.38 -0.35 0.00 0.00 0.00 0.00 46.02 45.40 2cqp n GLY 948 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2cqp s TYR 949 N -0.58 3.60 -0.68 1.61 2.02 -1.00 -5.03 117.35 117.29 2cqp s TYR 949 Ca 0.00 0.75 -0.27 0.00 -0.37 0.00 0.00 57.07 57.18 2cqp s TYR 949 Cb 0.00 -2.13 0.02 0.00 -0.40 0.00 0.00 41.96 39.45 2cqp s TYR 949 CO 0.00 0.57 1.44 -0.65 -1.57 0.00 0.00 175.55 175.33 2cqp s GLN 950 N -1.73 3.07 -0.19 -0.62 -1.52 -1.26 -4.98 119.66 112.42 2cqp s GLN 950 Ca 0.30 0.06 -0.17 0.00 -1.95 0.00 0.00 55.36 53.60 2cqp s GLN 950 Cb -0.14 -4.22 -0.04 0.00 -0.22 0.00 0.00 33.01 28.39 2cqp s GLN 950 CO 0.16 -2.26 0.45 0.08 -0.25 0.00 0.00 175.29 173.48 2cqp s VAL 951 N 6.59 5.16 0.31 1.09 1.01 -1.26 -4.70 120.40 128.61 2cqp s VAL 951 Ca 0.45 0.83 -0.29 0.00 0.00 0.00 0.00 61.98 62.97 2cqp s VAL 951 Cb -0.09 -3.78 -0.12 0.00 0.00 0.00 0.00 36.38 32.38 2cqp s VAL 951 CO 0.18 0.24 1.34 -0.38 0.00 0.00 0.00 175.10 176.48 2cqp n ILE 952 N 4.31 1.68 -2.24 2.22 5.41 -1.23 -4.93 119.36 124.58 2cqp n ILE 952 Ca -0.07 -0.42 -0.41 0.00 1.00 0.00 0.00 62.75 62.86 2cqp n ILE 952 Cb 0.51 -1.58 -0.03 0.00 -0.71 0.00 0.00 39.64 37.83 2cqp n ILE 952 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 2cqp s PRO 953 N -1.43 4.45 0.00 0.38 0.04 -1.26 -2.70 135.00 134.48 2cqp s PRO 953 Ca 0.59 2.06 0.00 0.00 0.04 0.00 0.00 61.00 63.69 2cqp s PRO 953 Cb -0.58 -3.13 0.00 0.00 0.04 0.00 0.00 34.50 30.83 2cqp s PRO 953 CO 0.58 -0.08 0.00 0.41 0.04 0.00 0.00 177.00 177.95 2cqp n GLY 954 N 1.24 2.29 0.32 0.56 0.00 -1.26 -4.86 105.19 103.48 2cqp n GLY 954 Ca 0.01 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.87 2cqp n GLY 954 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2cqp h SER 955 N 0.00 -0.65 -0.11 1.61 4.64 -1.87 -3.41 113.55 113.76 2cqp h SER 955 Ca 0.00 -0.04 -0.50 0.00 -0.47 0.00 0.00 61.79 60.78 2cqp h SER 955 Cb 0.00 0.17 -0.08 0.00 -0.31 0.00 0.00 62.40 62.17 2cqp h SER 955 CO 0.00 -0.34 1.75 0.52 -0.87 0.00 0.00 176.83 177.88 2cqp n VAL 956 N -5.35 -0.01 -3.88 0.95 0.31 -1.24 -4.53 118.33 104.58 2cqp n VAL 956 Ca -0.12 -0.05 -0.35 0.00 -0.01 0.00 0.00 64.34 63.80 2cqp n VAL 956 Cb 0.34 -0.65 -0.13 0.00 -0.91 0.00 0.00 33.84 32.48 2cqp n VAL 956 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2cqp s LEU 958 N 1.28 4.38 -0.09 0.00 1.43 -1.26 -0.82 118.68 123.60 2cqp s LEU 958 Ca -0.04 1.23 -0.11 0.00 -1.03 0.00 0.00 54.13 54.18 2cqp s LEU 958 Cb -0.20 -3.06 -0.05 0.00 0.03 0.00 0.00 46.19 42.92 2cqp s LEU 958 CO -0.00 -0.02 0.26 -0.75 0.23 0.00 0.00 176.35 176.06 2cqp s LYS 959 N 0.30 3.76 0.17 1.70 2.20 -0.76 -5.01 119.74 122.11 2cqp s LYS 959 Ca 0.35 0.09 0.08 0.00 -0.36 0.00 0.00 55.97 56.13 2cqp s LYS 959 Cb -0.18 -3.25 -0.04 0.00 -1.51 0.00 0.00 37.83 32.85 2cqp s LYS 959 CO 0.19 0.65 -0.16 0.71 -0.36 0.00 0.00 175.35 176.37 2cqp s TYR 960 N -0.77 1.71 1.12 4.03 1.51 -1.26 -2.42 117.35 121.27 2cqp s TYR 960 Ca 0.18 -0.52 -0.19 0.00 -1.01 0.00 0.00 57.07 55.53 2cqp s TYR 960 Cb -0.14 -0.84 0.28 0.00 -0.11 0.00 0.00 41.96 41.16 2cqp s TYR 960 CO 0.07 0.31 0.92 0.09 -1.11 0.00 0.00 175.55 175.83 2cqp n ASN 961 N 0.10 -2.34 -0.05 2.29 3.02 0.10 -4.81 115.26 113.58 2cqp n ASN 961 Ca -0.12 -1.03 0.03 0.00 -0.03 0.00 0.00 54.58 53.44 2cqp n ASN 961 Cb 0.58 -0.88 0.38 0.00 -0.61 0.00 0.00 39.78 39.25 2cqp n ASN 961 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 2cqp h GLU 962 N 0.00 0.65 -0.14 3.52 4.57 -2.02 -2.02 114.58 119.15 2cqp h GLU 962 Ca -0.36 -0.04 -0.18 0.00 -1.18 0.00 0.00 59.36 57.60 2cqp h GLU 962 Cb 1.11 -0.15 -0.00 0.00 -0.16 0.00 0.00 28.75 29.55 2cqp h GLU 962 CO 0.23 0.43 -0.65 0.87 -1.18 0.00 0.00 179.01 178.71 2cqp h LYS 963 N 0.67 0.54 0.00 1.92 1.57 -2.05 -3.47 116.57 115.75 2cqp h LYS 963 Ca 0.18 -0.39 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 2cqp h LYS 963 Cb -0.08 0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.30 2cqp h LYS 963 CO -0.04 1.01 0.00 0.41 -0.57 0.00 0.00 179.45 180.26 2cqp n GLY 964 N 0.44 1.32 3.74 3.86 0.00 -0.76 -5.13 105.19 108.67 2cqp n GLY 964 Ca -0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 2cqp n GLY 964 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2cqp s MET 965 N 0.00 2.19 0.10 1.61 -1.94 -1.26 -4.53 119.30 115.47 2cqp s MET 965 Ca 0.00 1.44 -0.31 0.00 -1.71 0.00 0.00 55.69 55.11 2cqp s MET 965 Cb 0.00 -1.87 -0.07 0.00 2.01 0.00 0.00 34.83 34.89 2cqp s MET 965 CO 0.00 -1.73 1.37 -1.25 -0.01 0.00 0.00 175.02 173.40 2cqp s PRO 966 N -4.37 4.33 0.00 2.03 0.04 -1.26 0.01 135.00 135.78 2cqp s PRO 966 Ca 0.67 2.03 0.20 0.00 0.04 0.00 0.00 61.00 63.94 2cqp s PRO 966 Cb -0.22 -3.29 0.59 0.00 0.04 0.00 0.00 34.50 31.62 2cqp s PRO 966 CO 0.49 -0.43 1.46 0.25 0.04 0.00 0.00 177.00 178.81 2cqp n THR 967 N 4.01 0.36 -1.60 1.26 -2.24 -1.02 -4.80 114.28 110.26 2cqp n THR 967 Ca 0.11 -0.49 -0.08 0.00 -2.27 0.00 0.00 64.05 61.32 2cqp n THR 967 Cb 0.43 0.50 -0.02 0.00 -2.10 0.00 0.00 70.33 69.13 2cqp n THR 967 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2cqp n GLY 968 N 1.23 0.62 3.27 3.38 0.00 -1.26 -4.88 105.19 107.55 2cqp n GLY 968 Ca 0.17 -0.63 -0.26 0.00 0.00 0.00 0.00 46.02 45.29 2cqp n GLY 968 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2cqp s GLU 969 N -3.36 1.40 0.02 1.61 2.02 -1.26 -2.60 118.70 116.53 2cqp s GLU 969 Ca 0.00 -1.02 -0.15 0.00 0.02 0.00 0.00 54.97 53.82 2cqp s GLU 969 Cb 0.00 -1.56 0.02 0.00 0.10 0.00 0.00 34.13 32.69 2cqp s GLU 969 CO 0.00 0.39 0.33 0.00 0.02 0.00 0.00 175.26 176.00 2cqp s ALA 970 N -0.87 -0.78 0.03 5.21 0.00 -0.80 -1.83 121.76 122.71 2cqp s ALA 970 Ca 0.08 0.20 0.06 0.00 0.00 0.00 0.00 51.96 52.30 2cqp s ALA 970 Cb -0.09 0.22 -0.02 0.00 0.00 0.00 0.00 23.12 23.22 2cqp s ALA 970 CO 0.02 -0.35 -0.17 -1.64 0.00 0.00 0.00 175.76 173.61 2cqp s MET 971 N -2.02 1.24 0.13 0.00 -1.94 -0.00 -0.18 119.30 116.53 2cqp s MET 971 Ca -0.09 -0.78 0.00 0.00 -1.71 0.00 0.00 55.69 53.11 2cqp s MET 971 Cb -0.03 -1.28 -0.04 0.00 2.01 0.00 0.00 34.83 35.50 2cqp s MET 971 CO 0.00 0.33 0.01 0.14 -0.01 0.00 0.00 175.02 175.49 2cqp s VAL 972 N -0.69 0.40 0.15 -6.03 -7.23 -0.70 -0.23 120.40 106.07 2cqp s VAL 972 Ca 0.05 -1.92 0.07 0.00 -1.81 0.00 0.00 61.98 58.37 2cqp s VAL 972 Cb -0.08 -1.95 -0.04 0.00 0.56 0.00 0.00 36.38 34.87 2cqp s VAL 972 CO 0.01 -0.59 -0.15 0.00 -0.31 0.00 0.00 175.10 174.06 2cqp s ALA 973 N -3.84 1.71 -0.01 1.32 0.00 -1.26 0.06 121.76 119.75 2cqp s ALA 973 Ca 0.20 -1.41 0.01 0.00 0.00 0.00 0.00 51.96 50.76 2cqp s ALA 973 Cb 0.07 -0.10 0.00 0.00 0.00 0.00 0.00 23.12 23.09 2cqp s ALA 973 CO 0.00 0.12 -0.02 -0.06 0.00 0.00 0.00 175.76 175.80 2cqp s PHE 974 N -2.30 0.24 0.25 0.00 0.40 0.78 -3.48 117.98 113.86 2cqp s PHE 974 Ca 0.13 -0.03 0.07 0.00 -0.60 0.00 0.00 56.93 56.50 2cqp s PHE 974 Cb -0.04 -0.18 0.27 0.00 0.51 0.00 0.00 43.02 43.57 2cqp s PHE 974 CO 0.04 -0.02 1.56 0.93 0.70 0.00 0.00 175.22 178.43 2cqp h GLU 975 N 6.27 0.11 -5.34 0.44 5.08 -1.87 -0.21 114.58 119.06 2cqp h GLU 975 Ca -0.29 -0.08 -0.67 0.00 -1.00 0.00 0.00 59.36 57.32 2cqp h GLU 975 Cb 1.19 0.01 -0.30 0.00 0.50 0.00 0.00 28.75 30.15 2cqp h GLU 975 CO 0.50 0.71 -0.83 0.45 -1.00 0.00 0.00 179.01 178.84 2cqp s SER 976 N -6.87 3.47 0.20 1.42 0.15 -1.26 -4.79 113.70 106.02 2cqp s SER 976 Ca -0.02 -0.46 -0.09 0.00 0.70 0.00 0.00 55.95 56.07 2cqp s SER 976 Cb 0.12 -1.49 0.14 0.00 -1.71 0.00 0.00 66.02 63.08 2cqp s SER 976 CO 0.78 0.16 1.77 -0.09 1.20 0.00 0.00 173.24 177.06 2cqp h ARG 977 N 6.70 1.11 -1.01 5.44 2.43 -1.97 -2.29 114.38 124.80 2cqp h ARG 977 Ca -0.22 -0.20 0.05 0.00 -0.81 0.00 0.00 59.98 58.80 2cqp h ARG 977 Cb 1.23 -0.18 -0.06 0.00 -0.42 0.00 0.00 29.97 30.53 2cqp h ARG 977 CO 0.51 0.91 0.65 0.38 -1.51 0.00 0.00 179.97 180.91 2cqp h ASP 978 N 1.07 1.07 -0.23 -3.80 3.04 -1.99 -0.93 116.42 114.65 2cqp h ASP 978 Ca 0.25 0.00 -0.05 0.00 -3.24 0.00 0.00 57.03 53.99 2cqp h ASP 978 Cb 0.21 -0.23 -0.01 0.00 -1.04 0.00 0.00 39.33 38.26 2cqp h ASP 978 CO -0.02 0.70 -0.05 -0.33 -2.04 0.00 0.00 179.24 177.50 2cqp h GLU 979 N 1.22 0.45 -0.18 4.15 3.07 -1.90 -1.09 114.58 120.29 2cqp h GLU 979 Ca 0.42 -0.17 0.02 0.00 -0.50 0.00 0.00 59.36 59.13 2cqp h GLU 979 Cb 0.09 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 27.95 2cqp h GLU 979 CO -0.15 0.67 0.06 0.00 -1.40 0.00 0.00 179.01 178.20 2cqp h ALA 980 N 0.76 0.20 -0.48 3.43 0.00 -0.94 0.11 119.26 122.34 2cqp h ALA 980 Ca 0.06 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 2cqp h ALA 980 Cb 0.50 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 2cqp h ALA 980 CO 0.02 -0.37 0.19 1.15 0.00 0.00 0.00 179.25 180.24 2cqp h THR 981 N 0.15 1.21 -0.19 0.00 2.02 -1.18 -0.83 112.91 114.10 2cqp h THR 981 Ca 0.08 -0.66 -0.00 0.00 0.77 0.00 0.00 66.41 66.59 2cqp h THR 981 Cb 0.05 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 2cqp h THR 981 CO -0.08 0.25 0.10 0.00 0.37 0.00 0.00 175.52 176.16 2cqp h ALA 982 N 1.03 0.25 -0.67 6.16 0.00 -0.92 -0.92 119.26 124.19 2cqp h ALA 982 Ca 0.16 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2cqp h ALA 982 Cb 0.21 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 2cqp h ALA 982 CO -0.01 -0.21 0.37 0.00 0.00 0.00 0.00 179.25 179.39 2cqp h ALA 983 N 0.99 0.86 -0.11 0.00 0.00 -0.67 0.87 119.26 121.21 2cqp h ALA 983 Ca 0.07 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2cqp h ALA 983 Cb 0.08 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 2cqp h ALA 983 CO -0.01 0.38 0.06 0.28 0.00 0.00 0.00 179.25 179.95 2cqp h VAL 984 N 0.92 1.10 -0.58 0.00 2.07 -0.95 0.64 116.25 119.46 2cqp h VAL 984 Ca 0.24 -0.27 -0.06 0.00 0.82 0.00 0.00 66.70 67.42 2cqp h VAL 984 Cb 0.04 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 2cqp h VAL 984 CO -0.04 0.09 0.11 0.40 0.02 0.00 0.00 177.57 178.15 2cqp h ILE 985 N 0.07 1.25 0.00 4.57 2.04 -1.00 1.75 117.51 126.20 2cqp h ILE 985 Ca 0.04 -0.95 -0.06 0.00 1.00 0.00 0.00 64.86 64.88 2cqp h ILE 985 Cb 0.09 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 2cqp h ILE 985 CO -0.01 0.35 -0.29 0.44 0.00 0.00 0.00 178.15 178.64 2cqp h ASP 986 N 0.84 0.00 -0.10 1.72 5.19 -0.67 -3.10 116.42 120.30 2cqp h ASP 986 Ca 0.18 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.58 2cqp h ASP 986 Cb 0.39 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.90 2cqp h ASP 986 CO 0.01 0.29 -0.02 0.18 -3.12 0.00 0.00 179.24 176.58 2cqp n LEU 987 N -3.35 2.93 -4.66 1.55 4.77 0.22 -4.99 117.00 113.48 2cqp n LEU 987 Ca 0.01 -3.12 -0.43 0.00 -0.03 0.00 0.00 56.01 52.44 2cqp n LEU 987 Cb 0.51 -0.48 -0.02 0.00 -2.33 0.00 0.00 43.42 41.10 2cqp n LEU 987 CO 0.35 0.74 0.87 0.21 -1.33 0.00 0.00 177.39 178.24 2cqp s ASN 988 N -2.57 7.08 -0.47 -1.43 3.84 0.59 -3.51 114.94 118.48 2cqp s ASN 988 Ca 0.36 1.35 -0.03 0.00 0.21 0.00 0.00 52.86 54.75 2cqp s ASN 988 Cb 0.31 -2.53 0.00 0.00 -0.55 0.00 0.00 41.25 38.48 2cqp s ASN 988 CO 0.04 -0.63 0.36 -0.67 -2.79 0.00 0.00 177.10 173.42 2cqp n ASP 989 N 6.15 -3.39 -4.70 -4.21 2.03 -1.09 -5.00 116.55 106.33 2cqp n ASP 989 Ca 0.11 -0.16 -0.41 0.00 0.52 0.00 0.00 54.79 54.85 2cqp n ASP 989 Cb 0.46 -2.01 -0.04 0.00 -0.72 0.00 0.00 41.12 38.81 2cqp n ASP 989 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2cqp s ARG 990 N -5.34 4.46 -0.97 -0.67 1.81 -1.23 -4.75 118.95 112.26 2cqp s ARG 990 Ca 0.18 1.12 -0.24 0.00 -1.72 0.00 0.00 55.73 55.07 2cqp s ARG 990 Cb -0.08 -3.48 -0.06 0.00 -0.45 0.00 0.00 34.95 30.89 2cqp s ARG 990 CO 0.22 -0.06 1.95 -1.25 -0.68 0.00 0.00 175.30 175.47 2cqp s PRO 991 N 1.17 2.54 -0.18 3.54 0.04 -1.26 -1.33 135.00 139.51 2cqp s PRO 991 Ca 0.43 -0.49 -0.24 0.00 0.04 0.00 0.00 61.00 60.74 2cqp s PRO 991 Cb -0.19 -5.10 -0.02 0.00 0.04 0.00 0.00 34.50 29.23 2cqp s PRO 991 CO 0.21 -3.53 0.77 0.42 0.04 0.00 0.00 177.00 174.91 2cqp s ILE 992 N 10.33 4.92 0.00 0.56 1.01 0.14 -4.78 121.20 133.38 2cqp s ILE 992 Ca 0.70 1.48 0.00 0.00 0.00 0.00 0.00 60.65 62.83 2cqp s ILE 992 Cb -0.05 -4.07 0.00 0.00 0.01 0.00 0.00 42.46 38.34 2cqp s ILE 992 CO 0.03 0.05 0.00 0.61 0.00 0.00 0.00 174.94 175.62 2cqp n GLY 993 N 3.59 0.38 0.00 6.18 0.00 -1.26 -0.87 105.19 113.22 2cqp n GLY 993 Ca 0.03 0.63 0.00 0.00 0.00 0.00 0.00 46.02 46.67 2cqp n GLY 993 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2cqp n SER 994 N 5.19 0.36 -4.18 1.61 2.88 -1.26 -5.07 113.62 113.15 2cqp n SER 994 Ca 0.00 -0.77 -0.14 0.00 -1.33 0.00 0.00 58.87 56.64 2cqp n SER 994 Cb 0.00 0.17 -0.11 0.00 -0.75 0.00 0.00 64.21 63.52 2cqp n SER 994 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2cqp s ARG 995 N -0.17 0.86 0.17 -1.46 0.52 -0.05 -5.11 118.95 113.72 2cqp s ARG 995 Ca 0.00 -1.21 -0.19 0.00 -0.52 0.00 0.00 55.73 53.81 2cqp s ARG 995 Cb 0.00 -0.47 -0.08 0.00 0.52 0.00 0.00 34.95 34.92 2cqp s ARG 995 CO 0.00 0.06 0.66 0.15 0.02 0.00 0.00 175.30 176.19 2cqp s LYS 996 N -3.06 4.21 0.08 3.54 1.02 -1.26 0.26 119.74 124.53 2cqp s LYS 996 Ca 0.07 0.78 0.01 0.00 0.02 0.00 0.00 55.97 56.86 2cqp s LYS 996 Cb -0.01 -3.00 -0.04 0.00 -0.52 0.00 0.00 37.83 34.26 2cqp s LYS 996 CO -0.01 0.48 0.20 0.14 -0.92 0.00 0.00 175.35 175.24 2cqp s VAL 997 N -1.39 5.20 -0.16 3.17 -7.23 -0.44 -4.55 120.40 114.99 2cqp s VAL 997 Ca 0.38 -0.53 -0.01 0.00 -1.81 0.00 0.00 61.98 60.02 2cqp s VAL 997 Cb -0.17 -3.56 -0.00 0.00 0.56 0.00 0.00 36.38 33.20 2cqp s VAL 997 CO 0.21 0.09 -0.13 -0.75 -0.31 0.00 0.00 175.10 174.21 2cqp s LYS 998 N -2.64 3.27 -0.15 4.82 2.47 0.81 -2.68 119.74 125.65 2cqp s LYS 998 Ca 0.34 -0.72 -0.02 0.00 -1.56 0.00 0.00 55.97 54.01 2cqp s LYS 998 Cb -0.12 -2.69 -0.02 0.00 -1.46 0.00 0.00 37.83 33.53 2cqp s LYS 998 CO 0.27 0.01 -0.07 -0.51 0.16 0.00 0.00 175.35 175.21 2cqp s LEU 999 N 0.85 3.04 -0.01 5.43 1.43 -1.26 -1.27 118.68 126.88 2cqp s LEU 999 Ca -0.04 -0.21 0.03 0.00 -1.03 0.00 0.00 54.13 52.88 2cqp s LEU 999 Cb -0.15 -1.72 -0.00 0.00 0.03 0.00 0.00 46.19 44.35 2cqp s LEU 999 CO -0.00 0.16 -0.10 -0.69 0.23 0.00 0.00 176.35 175.95 2cqp s VAL 1000N 0.41 0.80 0.33 -1.59 1.01 -0.77 -4.97 120.40 115.61 2cqp s VAL 1000Ca -0.06 -0.41 -0.27 0.00 0.00 0.00 0.00 61.98 61.23 2cqp s VAL 1000Cb -0.15 -0.68 -0.09 0.00 0.00 0.00 0.00 36.38 35.46 2cqp s VAL 1000CO 0.04 0.23 1.09 -0.76 0.00 0.00 0.00 175.10 175.70 2cqp s LEU 1001N -0.12 4.40 0.00 3.92 1.43 -1.26 -1.11 118.68 125.94 2cqp s LEU 1001Ca 0.02 2.21 0.00 0.00 -1.03 0.00 0.00 54.13 55.33 2cqp s LEU 1001Cb -0.05 -3.83 0.00 0.00 0.03 0.00 0.00 46.19 42.34 2cqp s LEU 1001CO -0.00 -0.30 0.42 0.61 0.23 0.00 0.00 176.35 177.31 2cqp n GLY 1002N 0.89 -1.23 3.74 -3.19 0.00 0.86 -4.83 105.19 101.42 2cqp n GLY 1002Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 2cqp n GLY 1002CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cqp s SER 1003N -2.01 4.61 0.00 1.61 1.04 -1.26 -4.88 113.70 112.81 2cqp s SER 1003Ca 0.00 2.36 0.00 0.00 0.48 0.00 0.00 55.95 58.79 2cqp s SER 1003Cb 0.00 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.53 2cqp s SER 1003CO 0.00 -1.98 0.00 0.61 0.98 0.00 0.00 173.24 172.85 2cqp n GLY 1004N 0.40 -0.52 0.00 7.32 0.00 -1.26 -4.85 105.19 106.28 2cqp n GLY 1004Ca 0.13 -2.27 0.07 0.00 0.00 0.00 0.00 46.02 43.96 2cqp n GLY 1004CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2cqp n PRO 1005N -0.63 0.17 -2.52 1.61 -0.04 -1.26 -5.01 135.00 127.31 2cqp n PRO 1005Ca 0.00 0.17 -0.42 0.00 -0.04 0.00 0.00 63.50 63.20 2cqp n PRO 1005Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 2cqp n PRO 1005CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2cqp s SER 1006N -2.65 7.11 -0.25 3.54 0.15 -1.26 -5.02 113.70 115.32 2cqp s SER 1006Ca 0.13 1.73 -0.12 0.00 0.70 0.00 0.00 55.95 58.39 2cqp s SER 1006Cb 0.10 -2.56 -0.05 0.00 -1.71 0.00 0.00 66.02 61.80 2cqp s SER 1006CO 0.23 -0.54 0.23 -0.44 1.20 0.00 0.00 173.24 173.91 2cqp s SER 1007N 1.36 6.15 0.00 5.45 0.01 -1.26 -5.03 113.70 120.39 2cqp s SER 1007Ca 0.54 0.16 0.20 0.00 1.31 0.00 0.00 55.95 58.16 2cqp s SER 1007Cb -0.23 -2.14 1.19 0.00 0.21 0.00 0.00 66.02 65.05 2cqp s SER 1007CO 0.21 -0.01 1.58 0.61 0.41 0.00 0.00 173.24 176.03