#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 0.03 -0.07 1.61 0.15 -1.26 -5.15 113.70 109.01 2cqp s SER 912 Ca 0.00 0.08 0.02 0.00 0.70 0.00 0.00 55.95 56.75 2cqp s SER 912 Cb 0.00 -0.02 -0.03 0.00 -1.71 0.00 0.00 66.02 64.27 2cqp s SER 912 CO 0.00 -0.12 -0.10 -0.44 1.20 0.00 0.00 173.24 173.78 2cqp s SER 913 N 0.96 4.37 -0.56 5.45 0.01 -1.26 -5.09 113.70 117.59 2cqp s SER 913 Ca -0.08 -0.11 -0.05 0.00 1.31 0.00 0.00 55.95 57.02 2cqp s SER 913 Cb -0.11 -1.09 0.14 0.00 0.21 0.00 0.00 66.02 65.17 2cqp s SER 913 CO -0.03 0.34 0.39 -0.83 0.41 0.00 0.00 173.24 173.52 2cqp s GLY 914 N -0.67 2.29 -0.64 3.44 0.00 -1.26 -4.93 107.32 105.55 2cqp s GLY 914 Ca 0.10 -2.93 -0.02 0.00 0.00 0.00 0.00 44.72 41.87 2cqp s GLY 914 CO 0.01 1.10 2.07 -1.14 0.00 0.00 0.00 173.10 175.14 2cqp n SER 915 N 4.11 7.45 -3.32 1.64 3.41 -1.26 -4.78 113.62 120.87 2cqp n SER 915 Ca 0.02 -3.66 0.03 0.00 -0.26 0.00 0.00 58.87 55.00 2cqp n SER 915 Cb 0.40 -1.02 -0.03 0.00 -0.26 0.00 0.00 64.21 63.31 2cqp n SER 915 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2cqp s SER 916 N -1.32 -0.73 -0.26 4.04 0.15 -1.26 -5.14 113.70 109.17 2cqp s SER 916 Ca 0.58 0.75 -0.02 0.00 0.70 0.00 0.00 55.95 57.96 2cqp s SER 916 Cb 0.45 1.73 0.03 0.00 -1.71 0.00 0.00 66.02 66.53 2cqp s SER 916 CO -0.08 -0.14 -0.04 -0.83 1.20 0.00 0.00 173.24 173.35 2cqp s GLY 917 N 2.69 1.67 -0.22 9.45 0.00 -1.26 -4.77 107.32 114.89 2cqp s GLY 917 Ca 0.01 -1.55 0.02 0.00 0.00 0.00 0.00 44.72 43.21 2cqp s GLY 917 CO -0.16 0.57 -0.04 0.00 0.00 0.00 0.00 173.10 173.47 2cqp n ALA 918 N 4.66 1.32 -3.15 3.20 0.00 -1.26 -4.95 120.51 120.33 2cqp n ALA 918 Ca -0.15 -1.00 0.05 0.00 0.00 0.00 0.00 53.44 52.33 2cqp n ALA 918 Cb 0.46 -0.26 -0.01 0.00 0.00 0.00 0.00 19.45 19.64 2cqp n ALA 918 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2cqp s SER 919 N -6.53 -1.06 0.12 0.00 0.01 -1.26 -5.13 113.70 99.84 2cqp s SER 919 Ca -0.29 0.53 -0.31 0.00 1.31 0.00 0.00 55.95 57.19 2cqp s SER 919 Cb 0.08 1.84 -0.10 0.00 0.21 0.00 0.00 66.02 68.05 2cqp s SER 919 CO 0.67 -0.20 1.82 -0.94 0.41 0.00 0.00 173.24 175.00 2cqp s SER 920 N 2.89 6.43 0.48 2.44 1.04 -1.26 -4.57 113.70 121.15 2cqp s SER 920 Ca 0.13 2.74 0.00 0.00 0.48 0.00 0.00 55.95 59.30 2cqp s SER 920 Cb -0.12 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.44 2cqp s SER 920 CO -0.19 -1.00 0.00 0.61 0.98 0.00 0.00 173.24 173.65 2cqp n GLY 921 N 4.22 -4.90 3.29 7.32 0.00 -1.26 -5.00 105.19 108.85 2cqp n GLY 921 Ca 0.18 -0.56 -0.30 0.00 0.00 0.00 0.00 46.02 45.34 2cqp n GLY 921 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2cqp s LYS 922 N -2.94 1.93 -0.95 1.61 -2.85 -1.26 -5.06 119.74 110.22 2cqp s LYS 922 Ca 0.00 -0.91 -0.24 0.00 -1.00 0.00 0.00 55.97 53.82 2cqp s LYS 922 Cb 0.00 -1.91 -0.05 0.00 -2.06 0.00 0.00 37.83 33.81 2cqp s LYS 922 CO 0.00 0.52 1.95 -1.25 0.10 0.00 0.00 175.35 176.66 2cqp s PRO 923 N -0.70 2.54 0.00 1.78 0.04 -1.26 -4.76 135.00 132.64 2cqp s PRO 923 Ca 0.10 -0.43 0.00 0.00 0.04 0.00 0.00 61.00 60.70 2cqp s PRO 923 Cb -0.09 -5.09 0.00 0.00 0.04 0.00 0.00 34.50 29.35 2cqp s PRO 923 CO -0.00 -3.48 0.00 0.41 0.04 0.00 0.00 177.00 173.96 2cqp n GLY 924 N 6.68 -0.56 3.65 0.56 0.00 -1.26 -5.17 105.19 109.10 2cqp n GLY 924 Ca 0.41 -0.66 -0.29 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.34 -0.01 -0.25 1.61 0.04 -1.26 -5.01 135.00 129.77 2cqp s PRO 925 Ca 0.00 0.37 -0.15 0.00 0.04 0.00 0.00 61.00 61.26 2cqp s PRO 925 Cb 0.00 -1.70 -0.04 0.00 0.04 0.00 0.00 34.50 32.81 2cqp s PRO 925 CO 0.00 -3.00 0.39 0.99 0.04 0.00 0.00 177.00 175.43 2cqp s THR 926 N -2.97 5.17 -0.15 1.26 2.01 0.10 -4.82 115.64 116.24 2cqp s THR 926 Ca 0.67 0.64 -0.18 0.00 0.31 0.00 0.00 61.69 63.12 2cqp s THR 926 Cb -0.17 -3.72 -0.04 0.00 0.01 0.00 0.00 72.50 68.58 2cqp s THR 926 CO 0.57 0.18 0.47 -0.63 -0.69 0.00 0.00 174.62 174.52 2cqp s ILE 927 N 1.89 5.18 0.05 1.82 -1.09 -1.26 -0.62 121.20 127.17 2cqp s ILE 927 Ca 0.17 0.91 0.02 0.00 -2.23 0.00 0.00 60.65 59.51 2cqp s ILE 927 Cb -0.15 -3.80 -0.04 0.00 -1.58 0.00 0.00 42.46 36.88 2cqp s ILE 927 CO 0.09 0.29 0.08 -0.63 -1.23 0.00 0.00 174.94 173.54 2cqp s ILE 928 N 0.90 4.61 -0.19 2.92 1.01 0.92 0.11 121.20 131.48 2cqp s ILE 928 Ca 0.24 -0.63 -0.01 0.00 0.00 0.00 0.00 60.65 60.25 2cqp s ILE 928 Cb -0.15 -3.18 0.00 0.00 0.01 0.00 0.00 42.46 39.14 2cqp s ILE 928 CO 0.10 0.21 -0.12 -0.54 0.00 0.00 0.00 174.94 174.58 2cqp s LYS 929 N -2.15 3.22 -0.18 2.79 1.02 -0.17 -2.08 119.74 122.20 2cqp s LYS 929 Ca 0.27 -0.72 -0.06 0.00 0.02 0.00 0.00 55.97 55.48 2cqp s LYS 929 Cb -0.12 -2.78 -0.04 0.00 -0.52 0.00 0.00 37.83 34.38 2cqp s LYS 929 CO 0.19 -0.14 0.03 0.08 -0.92 0.00 0.00 175.35 174.59 2cqp s VAL 930 N 1.23 4.46 0.26 3.17 1.01 0.59 -1.86 120.40 129.27 2cqp s VAL 930 Ca 0.03 -0.15 0.01 0.00 0.00 0.00 0.00 61.98 61.87 2cqp s VAL 930 Cb -0.14 -2.99 -0.05 0.00 0.00 0.00 0.00 36.38 33.19 2cqp s VAL 930 CO -0.05 0.47 0.10 -1.58 0.00 0.00 0.00 175.10 174.03 2cqp s GLN 931 N 0.41 1.43 -0.95 2.72 -0.44 -0.43 -1.85 119.66 120.54 2cqp s GLN 931 Ca 0.01 -1.77 -0.00 0.00 -2.50 0.00 0.00 55.36 51.09 2cqp s GLN 931 Cb -0.13 -0.26 -0.00 0.00 -1.64 0.00 0.00 33.01 30.97 2cqp s GLN 931 CO 0.01 -0.30 0.79 -1.71 0.50 0.00 0.00 175.29 174.58 2cqp n ASN 932 N -0.49 -2.07 -4.28 6.67 4.05 -1.19 -0.40 115.26 117.54 2cqp n ASN 932 Ca 0.00 -0.49 -0.33 0.00 0.45 0.00 0.00 54.58 54.21 2cqp n ASN 932 Cb 0.66 -4.16 -0.15 0.00 1.23 0.00 0.00 39.78 37.36 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 -5.06 3.22 1.12 1.20 -1.94 -0.91 -3.81 119.30 113.12 2cqp s MET 933 Ca 0.00 -0.77 -0.16 0.00 -1.71 0.00 0.00 55.69 53.05 2cqp s MET 933 Cb -0.00 -2.53 0.25 0.00 2.01 0.00 0.00 34.83 34.56 2cqp s MET 933 CO 0.58 0.13 1.10 -1.25 -0.01 0.00 0.00 175.02 175.57 2cqp s PRO 934 N 0.52 -0.57 0.22 2.03 0.04 -1.26 -3.81 135.00 132.17 2cqp s PRO 934 Ca -0.11 0.17 -0.05 0.00 0.04 0.00 0.00 61.00 61.05 2cqp s PRO 934 Cb -0.16 -1.65 0.22 0.00 0.04 0.00 0.00 34.50 32.94 2cqp s PRO 934 CO 0.04 -3.33 1.68 0.74 0.04 0.00 0.00 177.00 176.18 2cqp h PHE 935 N -2.31 0.93 -0.91 0.56 0.04 -1.99 -2.72 116.94 110.54 2cqp h PHE 935 Ca -0.49 -0.17 0.26 0.00 2.80 0.00 0.00 57.97 60.37 2cqp h PHE 935 Cb 1.31 -0.24 -0.04 0.00 2.20 0.00 0.00 35.95 39.18 2cqp h PHE 935 CO -1.09 0.89 0.65 1.79 -0.60 0.00 0.00 178.31 179.95 2cqp h THR 936 N 0.77 0.56 -1.93 -1.55 1.35 -2.00 -3.41 112.91 106.69 2cqp h THR 936 Ca 0.13 -0.01 -0.64 0.00 -0.55 0.00 0.00 66.41 65.33 2cqp h THR 936 Cb 0.59 0.51 0.04 0.00 -1.73 0.00 0.00 68.15 67.55 2cqp h THR 936 CO 0.04 0.01 0.83 0.52 -0.25 0.00 0.00 175.52 176.66 2cqp n VAL 937 N -4.29 0.23 -4.40 6.82 0.31 -1.03 -4.97 118.33 111.00 2cqp n VAL 937 Ca 0.19 -0.04 -0.20 0.00 -0.01 0.00 0.00 64.34 64.28 2cqp n VAL 937 Cb 0.95 -1.41 -0.10 0.00 -0.91 0.00 0.00 33.84 32.37 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 2.25 1.94 0.23 4.52 0.01 -1.26 -5.02 113.70 116.37 2cqp s SER 938 Ca 0.88 -1.44 -0.07 0.00 1.31 0.00 0.00 55.95 56.63 2cqp s SER 938 Cb -0.82 0.13 0.28 0.00 0.21 0.00 0.00 66.02 65.82 2cqp s SER 938 CO 0.49 -0.72 1.86 0.40 0.41 0.00 0.00 173.24 175.68 2cqp h ILE 939 N 2.17 1.07 -0.34 1.44 2.04 -1.99 0.19 117.51 122.09 2cqp h ILE 939 Ca -0.38 -0.33 -0.02 0.00 1.00 0.00 0.00 64.86 65.13 2cqp h ILE 939 Cb 1.25 0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.34 2cqp h ILE 939 CO 0.63 0.18 0.14 0.44 0.00 0.00 0.00 178.15 179.54 2cqp h ASP 940 N 0.97 0.47 -0.53 1.72 3.32 -1.99 -1.09 116.42 119.29 2cqp h ASP 940 Ca 0.35 -0.16 -0.03 0.00 0.02 0.00 0.00 57.03 57.20 2cqp h ASP 940 Cb 0.10 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 2cqp h ASP 940 CO -0.15 0.50 0.20 -0.33 -1.72 0.00 0.00 179.24 177.75 2cqp h GLU 941 N 0.41 0.80 -0.00 3.56 4.39 -1.82 -1.51 114.58 120.40 2cqp h GLU 941 Ca 0.12 -0.15 -0.00 0.00 0.34 0.00 0.00 59.36 59.67 2cqp h GLU 941 Cb 0.18 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 28.70 2cqp h GLU 941 CO -0.01 0.71 0.00 0.82 -1.16 0.00 0.00 179.01 179.37 2cqp h ILE 942 N 0.72 1.04 -0.87 3.13 2.04 -0.82 0.30 117.51 123.05 2cqp h ILE 942 Ca 0.18 -0.12 0.03 0.00 1.00 0.00 0.00 64.86 65.95 2cqp h ILE 942 Cb 0.21 1.11 -0.05 0.00 -0.74 0.00 0.00 36.82 37.36 2cqp h ILE 942 CO -0.01 0.03 0.56 -0.07 0.00 0.00 0.00 178.15 178.66 2cqp h LEU 943 N -0.05 0.93 -0.72 1.44 3.38 -1.10 -1.64 115.31 117.55 2cqp h LEU 943 Ca 0.00 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 2cqp h LEU 943 Cb 0.05 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 2cqp h LEU 943 CO -0.00 0.64 -0.60 -0.78 0.09 0.00 0.00 178.44 177.79 2cqp h ASP 944 N 1.09 0.14 -0.18 -0.43 1.82 -1.02 -2.96 116.42 114.89 2cqp h ASP 944 Ca 0.34 -0.08 -0.08 0.00 -0.39 0.00 0.00 57.03 56.82 2cqp h ASP 944 Cb -0.00 -0.04 -0.02 0.00 0.68 0.00 0.00 39.33 39.95 2cqp h ASP 944 CO -0.11 0.71 -0.14 0.15 -1.61 0.00 0.00 179.24 178.24 2cqp h PHE 945 N 0.09 0.62 -0.40 0.28 3.04 0.48 -2.09 116.94 118.95 2cqp h PHE 945 Ca -0.01 -0.10 0.00 0.00 3.98 0.00 0.00 57.97 61.84 2cqp h PHE 945 Cb 1.09 -0.16 0.00 0.00 2.56 0.00 0.00 35.95 39.44 2cqp h PHE 945 CO 0.01 0.68 0.00 1.19 -2.02 0.00 0.00 178.31 178.17 2cqp n PHE 946 N -4.18 0.64 -1.45 0.41 3.72 -0.73 -4.97 117.46 110.90 2cqp n PHE 946 Ca 0.01 -0.29 -0.38 0.00 -0.05 0.00 0.00 57.45 56.73 2cqp n PHE 946 Cb 0.35 -0.04 0.03 0.00 -0.94 0.00 0.00 39.48 38.88 2cqp n PHE 946 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 2cqp n TYR 947 N 0.67 -0.85 0.00 1.38 9.36 -0.79 -2.27 117.16 124.66 2cqp n TYR 947 Ca 0.14 0.44 0.00 0.00 3.32 0.00 0.00 57.90 61.81 2cqp n TYR 947 Cb 0.41 -1.93 0.00 0.00 -0.63 0.00 0.00 39.34 37.18 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 1.84 2.41 3.86 2.98 0.00 -1.26 -5.00 105.19 110.01 2cqp n GLY 948 Ca 0.11 -0.58 -0.37 0.00 0.00 0.00 0.00 46.02 45.18 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 -0.67 3.67 -0.63 1.61 2.02 -0.96 -5.02 117.35 117.36 2cqp s TYR 949 Ca 0.00 0.82 -0.27 0.00 -0.37 0.00 0.00 57.07 57.25 2cqp s TYR 949 Cb 0.00 -2.16 -0.01 0.00 -0.40 0.00 0.00 41.96 39.39 2cqp s TYR 949 CO 0.00 0.65 1.75 -0.65 -1.57 0.00 0.00 175.55 175.72 2cqp s GLN 950 N -1.25 2.75 -0.22 -0.62 -0.21 -1.26 -4.96 119.66 113.88 2cqp s GLN 950 Ca 0.23 0.46 -0.14 0.00 0.02 0.00 0.00 55.36 55.93 2cqp s GLN 950 Cb -0.15 -4.34 -0.04 0.00 1.00 0.00 0.00 33.01 29.48 2cqp s GLN 950 CO 0.12 -2.60 0.34 0.08 -2.12 0.00 0.00 175.29 171.11 2cqp s VAL 951 N 8.39 5.23 0.15 1.09 1.01 -1.26 -4.56 120.40 130.46 2cqp s VAL 951 Ca 0.61 0.56 -0.34 0.00 0.00 0.00 0.00 61.98 62.81 2cqp s VAL 951 Cb -0.12 -3.67 -0.15 0.00 0.00 0.00 0.00 36.38 32.44 2cqp s VAL 951 CO 0.20 0.26 1.45 -0.38 0.00 0.00 0.00 175.10 176.63 2cqp n ILE 952 N 4.46 0.22 -2.20 2.22 5.41 -1.10 -4.90 119.36 123.48 2cqp n ILE 952 Ca -0.10 -0.06 -0.42 0.00 1.00 0.00 0.00 62.75 63.18 2cqp n ILE 952 Cb 0.51 -1.27 -0.03 0.00 -0.71 0.00 0.00 39.64 38.14 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 0.48 4.34 0.00 0.38 0.04 -1.26 -2.53 135.00 136.44 2cqp s PRO 953 Ca 0.78 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.86 2cqp s PRO 953 Cb -0.76 -3.26 0.00 0.00 0.04 0.00 0.00 34.50 30.52 2cqp s PRO 953 CO 0.43 -0.41 0.00 0.41 0.04 0.00 0.00 177.00 177.47 2cqp n GLY 954 N 3.43 1.81 0.21 0.56 0.00 -1.26 -4.91 105.19 105.03 2cqp n GLY 954 Ca 0.11 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.38 -0.18 1.61 4.64 -1.86 -3.44 113.55 113.95 2cqp h SER 955 Ca 0.00 -0.17 -0.62 0.00 -0.47 0.00 0.00 61.79 60.53 2cqp h SER 955 Cb 0.00 0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 62.17 2cqp h SER 955 CO 0.00 0.02 0.92 0.52 -0.87 0.00 0.00 176.83 177.42 2cqp n VAL 956 N -5.13 0.00 -4.02 0.95 0.31 -1.25 -4.62 118.33 104.57 2cqp n VAL 956 Ca -0.09 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 63.93 2cqp n VAL 956 Cb 0.27 -0.39 -0.16 0.00 -0.91 0.00 0.00 33.84 32.65 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 1.46 4.37 -0.03 0.00 1.43 -1.26 -0.93 118.68 123.72 2cqp s LEU 958 Ca 0.04 1.21 -0.15 0.00 -1.03 0.00 0.00 54.13 54.20 2cqp s LEU 958 Cb -0.13 -3.04 -0.05 0.00 0.03 0.00 0.00 46.19 42.99 2cqp s LEU 958 CO -0.11 -0.02 0.41 -0.75 0.23 0.00 0.00 176.35 176.11 2cqp s LYS 959 N 0.34 4.01 0.41 1.70 2.20 -0.83 -5.01 119.74 122.55 2cqp s LYS 959 Ca 0.35 0.39 0.02 0.00 -0.36 0.00 0.00 55.97 56.37 2cqp s LYS 959 Cb -0.18 -3.27 -0.01 0.00 -1.51 0.00 0.00 37.83 32.86 2cqp s LYS 959 CO 0.18 0.58 0.07 0.66 -0.36 0.00 0.00 175.35 176.48 2cqp n TYR 960 N 2.24 0.54 -4.72 4.03 4.01 -1.26 -2.41 117.16 119.59 2cqp n TYR 960 Ca -0.13 -2.32 -0.32 0.00 -0.16 0.00 0.00 57.90 54.98 2cqp n TYR 960 Cb 0.52 -0.14 -0.08 0.00 -0.31 0.00 0.00 39.34 39.34 2cqp n TYR 960 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2cqp s ASN 961 N -3.38 3.92 0.24 7.72 2.20 -0.76 -4.79 114.94 120.08 2cqp s ASN 961 Ca 0.10 -1.64 -0.16 0.00 -0.94 0.00 0.00 52.86 50.23 2cqp s ASN 961 Cb 0.01 0.46 0.28 0.00 -2.00 0.00 0.00 41.25 39.99 2cqp s ASN 961 CO 0.07 -0.84 1.56 1.05 -2.94 0.00 0.00 177.10 176.00 2cqp h GLU 962 N 1.44 -0.01 0.00 3.55 4.11 -2.03 1.60 114.58 123.25 2cqp h GLU 962 Ca -0.43 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 58.97 2cqp h GLU 962 Cb 1.30 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.55 2cqp h GLU 962 CO 0.72 -0.01 -0.18 0.87 0.07 0.00 0.00 179.01 180.49 2cqp h LYS 963 N -0.01 0.00 0.00 1.06 1.79 -2.05 -3.46 116.57 113.90 2cqp h LYS 963 Ca 0.36 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.83 2cqp h LYS 963 Cb 0.62 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.27 2cqp h LYS 963 CO -0.97 0.18 0.00 0.41 -1.08 0.00 0.00 179.45 177.99 2cqp n GLY 964 N -0.81 2.58 3.57 3.86 0.00 0.55 -5.09 105.19 109.85 2cqp n GLY 964 Ca -0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 2cqp n GLY 964 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2cqp n MET 965 N -0.74 0.47 -2.23 1.61 2.81 -1.26 -4.15 117.12 113.64 2cqp n MET 965 Ca 0.00 0.21 -0.41 0.00 -1.81 0.00 0.00 57.70 55.69 2cqp n MET 965 Cb 0.00 -2.08 -0.03 0.00 -0.71 0.00 0.00 33.22 30.40 2cqp n MET 965 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 2cqp s PRO 966 N -3.08 4.40 -0.32 0.03 0.04 -1.26 -1.84 135.00 132.96 2cqp s PRO 966 Ca 0.71 2.05 0.07 0.00 0.04 0.00 0.00 61.00 63.87 2cqp s PRO 966 Cb -0.35 -3.19 0.64 0.00 0.04 0.00 0.00 34.50 31.63 2cqp s PRO 966 CO 0.52 -0.24 1.72 0.25 0.04 0.00 0.00 177.00 179.30 2cqp n THR 967 N 2.55 2.73 -3.65 1.26 -2.24 -1.01 -4.90 114.28 109.02 2cqp n THR 967 Ca 0.06 -1.49 -0.27 0.00 -2.27 0.00 0.00 64.05 60.07 2cqp n THR 967 Cb 0.43 -0.45 0.02 0.00 -2.10 0.00 0.00 70.33 68.23 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 -0.34 -0.50 2.97 3.38 0.00 -1.25 -4.86 105.19 104.60 2cqp n GLY 968 Ca 0.41 0.15 -0.12 0.00 0.00 0.00 0.00 46.02 46.47 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 -6.34 0.31 -0.00 1.61 2.02 -1.26 -2.14 118.70 112.89 2cqp s GLU 969 Ca 0.55 -0.42 -0.16 0.00 0.02 0.00 0.00 54.97 54.96 2cqp s GLU 969 Cb -0.28 -0.11 0.03 0.00 0.10 0.00 0.00 34.13 33.87 2cqp s GLU 969 CO 0.68 0.02 0.34 0.00 0.02 0.00 0.00 175.26 176.31 2cqp s ALA 970 N -0.83 -0.84 0.02 5.21 0.00 -0.77 -1.97 121.76 122.56 2cqp s ALA 970 Ca -0.07 0.33 0.07 0.00 0.00 0.00 0.00 51.96 52.28 2cqp s ALA 970 Cb -0.06 0.14 -0.02 0.00 0.00 0.00 0.00 23.12 23.18 2cqp s ALA 970 CO -0.00 -0.31 -0.20 -1.64 0.00 0.00 0.00 175.76 173.61 2cqp s MET 971 N -1.63 1.45 0.14 0.00 -1.94 -0.10 -0.30 119.30 116.92 2cqp s MET 971 Ca -0.11 -0.82 -0.00 0.00 -1.71 0.00 0.00 55.69 53.04 2cqp s MET 971 Cb -0.04 -1.48 -0.04 0.00 2.01 0.00 0.00 34.83 35.28 2cqp s MET 971 CO 0.03 0.39 0.05 0.14 -0.01 0.00 0.00 175.02 175.61 2cqp s VAL 972 N -0.65 0.24 0.09 -6.03 -7.23 -0.88 -0.07 120.40 105.88 2cqp s VAL 972 Ca 0.07 -1.93 0.07 0.00 -1.81 0.00 0.00 61.98 58.38 2cqp s VAL 972 Cb -0.08 -2.08 -0.03 0.00 0.56 0.00 0.00 36.38 34.74 2cqp s VAL 972 CO 0.01 -0.45 -0.17 0.00 -0.31 0.00 0.00 175.10 174.18 2cqp s ALA 973 N -3.95 1.51 0.01 1.32 0.00 -1.26 -0.06 121.76 119.33 2cqp s ALA 973 Ca 0.25 -1.16 0.04 0.00 0.00 0.00 0.00 51.96 51.09 2cqp s ALA 973 Cb 0.07 -0.16 -0.01 0.00 0.00 0.00 0.00 23.12 23.02 2cqp s ALA 973 CO 0.03 0.24 -0.11 -0.06 0.00 0.00 0.00 175.76 175.86 2cqp s PHE 974 N -1.36 1.00 0.16 0.00 0.40 0.21 -2.69 117.98 115.69 2cqp s PHE 974 Ca 0.03 -0.27 -0.00 0.00 -0.60 0.00 0.00 56.93 56.10 2cqp s PHE 974 Cb -0.09 -0.62 -0.01 0.00 0.51 0.00 0.00 43.02 42.81 2cqp s PHE 974 CO 0.03 -0.00 1.37 0.93 0.70 0.00 0.00 175.22 178.25 2cqp h GLU 975 N 5.42 0.29 -5.14 0.44 5.08 -1.88 0.32 114.58 119.12 2cqp h GLU 975 Ca -0.34 -0.30 -0.65 0.00 -1.00 0.00 0.00 59.36 57.07 2cqp h GLU 975 Cb 1.18 0.08 -0.24 0.00 0.50 0.00 0.00 28.75 30.27 2cqp h GLU 975 CO 0.47 0.99 -0.68 0.45 -1.00 0.00 0.00 179.01 179.24 2cqp s SER 976 N -6.98 4.67 0.17 1.42 0.15 -1.26 -4.78 113.70 107.08 2cqp s SER 976 Ca -0.04 -0.24 -0.14 0.00 0.70 0.00 0.00 55.95 56.24 2cqp s SER 976 Cb 0.10 -1.79 0.06 0.00 -1.71 0.00 0.00 66.02 62.68 2cqp s SER 976 CO 0.84 0.07 1.77 -0.09 1.20 0.00 0.00 173.24 177.03 2cqp h ARG 977 N 7.44 0.76 -0.79 5.44 2.43 -1.95 -2.12 114.38 125.59 2cqp h ARG 977 Ca -0.35 -0.09 0.05 0.00 -0.81 0.00 0.00 59.98 58.77 2cqp h ARG 977 Cb 1.18 -0.15 -0.05 0.00 -0.42 0.00 0.00 29.97 30.54 2cqp h ARG 977 CO 0.61 0.59 0.52 0.22 -1.51 0.00 0.00 179.97 180.40 2cqp h ASP 978 N 0.72 0.80 -0.39 -3.80 1.82 -1.99 -1.83 116.42 111.75 2cqp h ASP 978 Ca 0.19 -0.00 -0.10 0.00 -0.39 0.00 0.00 57.03 56.73 2cqp h ASP 978 Cb 0.06 -0.18 -0.01 0.00 0.68 0.00 0.00 39.33 39.88 2cqp h ASP 978 CO -0.03 0.53 -0.13 -0.33 -1.61 0.00 0.00 179.24 177.67 2cqp h GLU 979 N 0.92 0.77 -0.03 0.28 4.39 -1.87 -0.95 114.58 118.09 2cqp h GLU 979 Ca 0.32 -0.31 0.00 0.00 0.34 0.00 0.00 59.36 59.71 2cqp h GLU 979 Cb 0.13 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.74 2cqp h GLU 979 CO -0.10 0.93 0.00 0.00 -1.16 0.00 0.00 179.01 178.68 2cqp h ALA 980 N 0.82 0.03 -0.43 3.43 0.00 -0.74 0.80 119.26 123.17 2cqp h ALA 980 Ca 0.09 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 2cqp h ALA 980 Cb 0.67 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 2cqp h ALA 980 CO 0.05 -0.48 0.10 1.15 0.00 0.00 0.00 179.25 180.06 2cqp h THR 981 N 0.02 1.24 -0.50 0.00 2.02 -1.35 -0.66 112.91 113.67 2cqp h THR 981 Ca 0.01 -0.83 0.00 0.00 0.77 0.00 0.00 66.41 66.37 2cqp h THR 981 Cb 0.01 0.95 -0.02 0.00 -1.74 0.00 0.00 68.15 67.35 2cqp h THR 981 CO -0.02 0.29 0.31 0.00 0.37 0.00 0.00 175.52 176.47 2cqp h ALA 982 N 0.96 0.63 -0.40 6.16 0.00 -0.99 -0.59 119.26 125.03 2cqp h ALA 982 Ca 0.13 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 2cqp h ALA 982 Cb 0.33 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2cqp h ALA 982 CO 0.00 0.10 0.01 0.00 0.00 0.00 0.00 179.25 179.36 2cqp h ALA 983 N 1.16 0.53 -0.19 0.00 0.00 -0.72 -0.40 119.26 119.64 2cqp h ALA 983 Ca 0.18 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2cqp h ALA 983 Cb -0.04 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2cqp h ALA 983 CO -0.04 0.30 0.12 0.28 0.00 0.00 0.00 179.25 179.92 2cqp h VAL 984 N 0.52 1.06 -0.35 0.00 2.07 -0.88 0.77 116.25 119.44 2cqp h VAL 984 Ca 0.11 -0.12 -0.04 0.00 0.82 0.00 0.00 66.70 67.47 2cqp h VAL 984 Cb 0.46 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 2cqp h VAL 984 CO 0.02 0.06 0.05 0.40 0.02 0.00 0.00 177.57 178.12 2cqp h ILE 985 N 0.24 1.24 0.00 4.57 2.04 -1.07 1.90 117.51 126.43 2cqp h ILE 985 Ca 0.07 -0.84 -0.00 0.00 1.00 0.00 0.00 64.86 65.08 2cqp h ILE 985 Cb -0.01 1.11 -0.00 0.00 -0.74 0.00 0.00 36.82 37.18 2cqp h ILE 985 CO -0.01 0.28 -0.02 0.44 0.00 0.00 0.00 178.15 178.84 2cqp h ASP 986 N 0.41 0.00 -0.00 1.72 5.19 -0.90 -3.01 116.42 119.84 2cqp h ASP 986 Ca 0.11 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.52 2cqp h ASP 986 Cb 0.36 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.87 2cqp h ASP 986 CO 0.01 0.02 -0.00 0.18 -3.12 0.00 0.00 179.24 176.32 2cqp n LEU 987 N -3.11 2.37 -4.70 1.55 4.77 0.27 -5.00 117.00 113.15 2cqp n LEU 987 Ca 0.01 -3.10 -0.42 0.00 -0.03 0.00 0.00 56.01 52.48 2cqp n LEU 987 Cb 0.37 -0.43 -0.03 0.00 -2.33 0.00 0.00 43.42 41.00 2cqp n LEU 987 CO 0.29 0.71 0.75 0.21 -1.33 0.00 0.00 177.39 178.03 2cqp s ASN 988 N -2.87 7.29 -1.02 -1.43 3.84 0.64 -3.58 114.94 117.80 2cqp s ASN 988 Ca 0.32 1.59 -0.06 0.00 0.21 0.00 0.00 52.86 54.93 2cqp s ASN 988 Cb 0.28 -2.56 0.01 0.00 -0.55 0.00 0.00 41.25 38.43 2cqp s ASN 988 CO 0.03 -0.38 0.89 0.47 -2.79 0.00 0.00 177.10 175.32 2cqp n ASP 989 N 4.58 -4.78 -4.73 -4.21 8.00 -0.85 -4.98 116.55 109.59 2cqp n ASP 989 Ca 0.08 -0.43 -0.40 0.00 0.71 0.00 0.00 54.79 54.75 2cqp n ASP 989 Cb 0.49 -4.00 -0.04 0.00 -0.02 0.00 0.00 41.12 37.55 2cqp n ASP 989 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2cqp s ARG 990 N -5.84 4.49 -1.09 -1.24 1.81 -1.21 -4.70 118.95 111.17 2cqp s ARG 990 Ca 0.37 1.08 -0.23 0.00 -1.72 0.00 0.00 55.73 55.22 2cqp s ARG 990 Cb -0.16 -3.42 -0.08 0.00 -0.45 0.00 0.00 34.95 30.84 2cqp s ARG 990 CO 0.56 0.12 1.94 -1.25 -0.68 0.00 0.00 175.30 176.00 2cqp s PRO 991 N 0.51 2.51 -0.08 3.54 0.04 -1.26 -1.31 135.00 138.95 2cqp s PRO 991 Ca 0.41 -0.88 -0.27 0.00 0.04 0.00 0.00 61.00 60.29 2cqp s PRO 991 Cb -0.20 -5.18 -0.02 0.00 0.04 0.00 0.00 34.50 29.14 2cqp s PRO 991 CO 0.22 -3.80 0.89 0.42 0.04 0.00 0.00 177.00 174.77 2cqp s ILE 992 N 10.76 4.89 0.00 0.56 1.01 0.20 -4.74 121.20 133.88 2cqp s ILE 992 Ca 0.69 1.83 0.00 0.00 0.00 0.00 0.00 60.65 63.17 2cqp s ILE 992 Cb -0.03 -4.22 0.00 0.00 0.01 0.00 0.00 42.46 38.23 2cqp s ILE 992 CO 0.09 0.12 0.00 0.61 0.00 0.00 0.00 174.94 175.75 2cqp n GLY 993 N 3.11 0.21 0.00 6.18 0.00 -1.26 -0.69 105.19 112.74 2cqp n GLY 993 Ca 0.05 0.69 0.00 0.00 0.00 0.00 0.00 46.02 46.76 2cqp n GLY 993 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2cqp n SER 994 N 4.92 0.40 -4.25 1.61 3.41 -1.26 -5.08 113.62 113.36 2cqp n SER 994 Ca 0.00 -0.98 -0.14 0.00 -0.26 0.00 0.00 58.87 57.49 2cqp n SER 994 Cb 0.00 0.01 -0.10 0.00 -0.26 0.00 0.00 64.21 63.86 2cqp n SER 994 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2cqp s ARG 995 N -0.01 1.12 0.09 4.33 0.52 0.14 -5.12 118.95 120.01 2cqp s ARG 995 Ca 0.00 -1.53 -0.14 0.00 -0.52 0.00 0.00 55.73 53.54 2cqp s ARG 995 Cb 0.00 -0.39 -0.06 0.00 0.52 0.00 0.00 34.95 35.02 2cqp s ARG 995 CO 0.00 -0.08 0.48 0.15 0.02 0.00 0.00 175.30 175.88 2cqp s LYS 996 N -3.87 3.94 0.10 3.54 1.02 -1.26 0.60 119.74 123.80 2cqp s LYS 996 Ca 0.22 0.42 0.04 0.00 0.02 0.00 0.00 55.97 56.67 2cqp s LYS 996 Cb 0.05 -3.05 -0.04 0.00 -0.52 0.00 0.00 37.83 34.28 2cqp s LYS 996 CO 0.03 0.56 0.08 0.14 -0.92 0.00 0.00 175.35 175.25 2cqp s VAL 997 N -1.32 4.44 -0.16 3.17 -7.23 -0.42 -4.56 120.40 114.31 2cqp s VAL 997 Ca 0.33 -0.87 -0.01 0.00 -1.81 0.00 0.00 61.98 59.61 2cqp s VAL 997 Cb -0.16 -3.17 -0.01 0.00 0.56 0.00 0.00 36.38 33.61 2cqp s VAL 997 CO 0.18 0.07 -0.10 -0.75 -0.31 0.00 0.00 175.10 174.19 2cqp s LYS 998 N -2.54 3.38 -0.16 4.82 2.47 0.46 -2.01 119.74 126.16 2cqp s LYS 998 Ca 0.29 -0.66 -0.03 0.00 -1.56 0.00 0.00 55.97 54.01 2cqp s LYS 998 Cb -0.12 -2.77 -0.02 0.00 -1.46 0.00 0.00 37.83 33.47 2cqp s LYS 998 CO 0.22 0.05 -0.06 -0.51 0.16 0.00 0.00 175.35 175.21 2cqp s LEU 999 N 0.78 3.04 0.01 5.43 1.43 -1.26 -1.31 118.68 126.79 2cqp s LEU 999 Ca -0.04 -0.23 0.03 0.00 -1.03 0.00 0.00 54.13 52.86 2cqp s LEU 999 Cb -0.15 -1.73 -0.01 0.00 0.03 0.00 0.00 46.19 44.33 2cqp s LEU 999 CO 0.01 0.13 -0.10 -0.69 0.23 0.00 0.00 176.35 175.94 2cqp s VAL 1000N 0.58 0.76 0.31 -1.59 1.01 -0.78 -4.95 120.40 115.74 2cqp s VAL 1000Ca -0.04 -0.57 -0.29 0.00 0.00 0.00 0.00 61.98 61.08 2cqp s VAL 1000Cb -0.15 -0.67 -0.10 0.00 0.00 0.00 0.00 36.38 35.47 2cqp s VAL 1000CO 0.03 0.10 1.13 -0.76 0.00 0.00 0.00 175.10 175.60 2cqp s LEU 1001N -0.53 4.47 -0.20 3.92 1.43 -1.26 -1.00 118.68 125.51 2cqp s LEU 1001Ca 0.02 2.32 -0.04 0.00 -1.03 0.00 0.00 54.13 55.40 2cqp s LEU 1001Cb -0.05 -3.71 -0.05 0.00 0.03 0.00 0.00 46.19 42.41 2cqp s LEU 1001CO 0.00 -0.28 2.90 0.61 0.23 0.00 0.00 176.35 179.81 2cqp n GLY 1002N 1.01 3.55 0.20 -3.19 0.00 0.31 -4.52 105.19 102.56 2cqp n GLY 1002Ca -0.00 -1.27 -0.13 0.00 0.00 0.00 0.00 46.02 44.62 2cqp n GLY 1002CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2cqp h SER 1003N 2.53 -0.36 -2.10 1.61 0.02 -1.92 -3.43 113.55 109.90 2cqp h SER 1003Ca 0.25 -0.18 -0.21 0.00 -0.84 0.00 0.00 61.79 60.81 2cqp h SER 1003Cb 1.09 0.09 0.13 0.00 0.14 0.00 0.00 62.40 63.86 2cqp h SER 1003CO 0.50 0.02 -0.10 0.61 -1.14 0.00 0.00 176.83 176.72 2cqp n GLY 1004N -0.21 -3.60 3.73 -3.77 0.00 -1.26 -4.15 105.19 95.93 2cqp n GLY 1004Ca -0.09 -1.17 -0.30 0.00 0.00 0.00 0.00 46.02 44.45 2cqp n GLY 1004CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cqp s PRO 1005N -4.09 1.58 -0.12 1.61 0.04 -1.26 -4.79 135.00 127.96 2cqp s PRO 1005Ca 0.39 0.93 -0.04 0.00 0.04 0.00 0.00 61.00 62.33 2cqp s PRO 1005Cb -0.07 -1.84 0.06 0.00 0.04 0.00 0.00 34.50 32.69 2cqp s PRO 1005CO 0.33 -2.05 0.17 -1.12 0.04 0.00 0.00 177.00 174.37 2cqp s SER 1006N -3.41 1.07 -0.14 6.66 0.01 -1.26 -4.45 113.70 112.18 2cqp s SER 1006Ca 0.63 0.10 -0.26 0.00 1.31 0.00 0.00 55.95 57.73 2cqp s SER 1006Cb -0.18 0.25 -0.02 0.00 0.21 0.00 0.00 66.02 66.28 2cqp s SER 1006CO 0.57 -0.28 0.83 -0.55 0.41 0.00 0.00 173.24 174.22 2cqp s SER 1007N 2.29 7.01 0.00 2.44 0.15 -1.26 -4.97 113.70 119.35 2cqp s SER 1007Ca 0.04 1.23 0.00 0.00 0.70 0.00 0.00 55.95 57.92 2cqp s SER 1007Cb -0.13 -2.46 0.00 0.00 -1.71 0.00 0.00 66.02 61.71 2cqp s SER 1007CO -0.08 -0.35 0.00 0.61 1.20 0.00 0.00 173.24 174.62