#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 3.69 -0.28 1.61 1.04 -1.26 -5.11 113.70 113.40 2cqp s SER 912 Ca 0.00 -0.31 -0.08 0.00 0.48 0.00 0.00 55.95 56.04 2cqp s SER 912 Cb 0.00 -0.85 -0.02 0.00 0.10 0.00 0.00 66.02 65.25 2cqp s SER 912 CO 0.00 0.30 0.10 -0.55 0.98 0.00 0.00 173.24 174.07 2cqp s SER 913 N -0.48 5.26 0.23 7.02 0.15 -1.26 -5.09 113.70 119.53 2cqp s SER 913 Ca 0.06 -0.40 0.05 0.00 0.70 0.00 0.00 55.95 56.36 2cqp s SER 913 Cb -0.12 -1.94 -0.03 0.00 -1.71 0.00 0.00 66.02 62.22 2cqp s SER 913 CO 0.01 -0.11 0.34 -0.83 1.20 0.00 0.00 173.24 173.85 2cqp s GLY 914 N 1.59 1.27 -0.45 9.45 0.00 -1.26 -4.73 107.32 113.18 2cqp s GLY 914 Ca 0.05 -1.24 -0.20 0.00 0.00 0.00 0.00 44.72 43.33 2cqp s GLY 914 CO 0.04 -1.26 0.62 -1.35 0.00 0.00 0.00 173.10 171.15 2cqp s SER 915 N -3.91 6.28 -0.73 1.64 1.04 -1.26 -5.01 113.70 111.74 2cqp s SER 915 Ca 0.34 -0.52 -0.20 0.00 0.48 0.00 0.00 55.95 56.05 2cqp s SER 915 Cb -0.09 -2.30 0.10 0.00 0.10 0.00 0.00 66.02 63.83 2cqp s SER 915 CO 0.28 -0.79 0.94 -0.44 0.98 0.00 0.00 173.24 174.22 2cqp s SER 916 N 2.14 6.34 -0.32 7.02 0.01 -1.26 -4.73 113.70 122.90 2cqp s SER 916 Ca 0.20 -1.51 0.04 0.00 1.31 0.00 0.00 55.95 55.98 2cqp s SER 916 Cb -0.16 -2.37 0.29 0.00 0.21 0.00 0.00 66.02 63.99 2cqp s SER 916 CO 0.17 -1.20 1.35 0.61 0.41 0.00 0.00 173.24 174.58 2cqp n GLY 917 N 5.31 -1.34 2.90 3.44 0.00 -1.26 -5.09 105.19 109.15 2cqp n GLY 917 Ca 0.04 0.72 -0.29 0.00 0.00 0.00 0.00 46.02 46.49 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 0.04 3.49 0.48 4.61 0.00 -1.26 -5.00 121.76 124.12 2cqp s ALA 918 Ca 0.18 -3.53 0.04 0.00 0.00 0.00 0.00 51.96 48.65 2cqp s ALA 918 Cb 0.26 -2.14 -0.02 0.00 0.00 0.00 0.00 23.12 21.22 2cqp s ALA 918 CO -0.17 -2.06 0.11 -1.12 0.00 0.00 0.00 175.76 172.51 2cqp s SER 919 N -0.88 4.23 0.32 0.00 0.01 -1.26 -5.09 113.70 111.03 2cqp s SER 919 Ca 0.22 -1.43 -0.29 0.00 1.31 0.00 0.00 55.95 55.76 2cqp s SER 919 Cb -0.14 0.16 -0.12 0.00 0.21 0.00 0.00 66.02 66.13 2cqp s SER 919 CO -0.09 -0.77 1.45 -0.24 0.41 0.00 0.00 173.24 173.99 2cqp n SER 920 N -1.30 3.32 -4.61 2.44 2.88 -1.26 -5.01 113.62 110.09 2cqp n SER 920 Ca -0.10 1.18 -0.28 0.00 -1.33 0.00 0.00 58.87 58.34 2cqp n SER 920 Cb 0.66 -1.54 -0.11 0.00 -0.75 0.00 0.00 64.21 62.47 2cqp n SER 920 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2cqp s GLY 921 N 0.08 2.46 0.19 0.46 0.00 -1.26 -5.15 107.32 104.09 2cqp s GLY 921 Ca 0.60 -2.27 0.06 0.00 0.00 0.00 0.00 44.72 43.10 2cqp s GLY 921 CO 0.56 -2.09 0.13 0.54 0.00 0.00 0.00 173.10 172.24 2cqp s LYS 922 N -3.69 2.82 0.06 2.90 3.01 -1.26 -5.08 119.74 118.50 2cqp s LYS 922 Ca 0.35 -0.96 -0.31 0.00 -1.01 0.00 0.00 55.97 54.04 2cqp s LYS 922 Cb 0.09 -2.57 -0.07 0.00 -1.01 0.00 0.00 37.83 34.26 2cqp s LYS 922 CO 0.18 0.46 1.40 -1.25 0.51 0.00 0.00 175.35 176.65 2cqp s PRO 923 N -3.26 4.30 0.00 -1.68 0.04 -1.26 -4.88 135.00 128.26 2cqp s PRO 923 Ca 0.31 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.38 2cqp s PRO 923 Cb -0.09 -3.41 0.00 0.00 0.04 0.00 0.00 34.50 31.04 2cqp s PRO 923 CO 0.23 -0.50 0.00 0.41 0.04 0.00 0.00 177.00 177.18 2cqp n GLY 924 N 3.57 -0.49 3.66 0.56 0.00 -1.26 -5.15 105.19 106.08 2cqp n GLY 924 Ca 0.12 -0.96 -0.29 0.00 0.00 0.00 0.00 46.02 44.90 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 -1.95 0.17 -0.23 1.61 0.04 -1.26 -5.01 135.00 128.36 2cqp s PRO 925 Ca 0.00 0.43 -0.18 0.00 0.04 0.00 0.00 61.00 61.29 2cqp s PRO 925 Cb 0.00 -1.71 -0.03 0.00 0.04 0.00 0.00 34.50 32.80 2cqp s PRO 925 CO 0.00 -2.89 0.52 0.99 0.04 0.00 0.00 177.00 175.66 2cqp s THR 926 N -2.97 5.08 -0.17 1.26 2.01 -0.53 -4.84 115.64 115.48 2cqp s THR 926 Ca 0.66 0.92 -0.15 0.00 0.31 0.00 0.00 61.69 63.43 2cqp s THR 926 Cb -0.18 -3.84 -0.04 0.00 0.01 0.00 0.00 72.50 68.45 2cqp s THR 926 CO 0.58 0.13 0.33 -0.63 -0.69 0.00 0.00 174.62 174.33 2cqp s ILE 927 N 2.01 5.28 0.06 1.82 -1.09 -1.26 -0.87 121.20 127.13 2cqp s ILE 927 Ca 0.23 0.61 0.02 0.00 -2.23 0.00 0.00 60.65 59.28 2cqp s ILE 927 Cb -0.15 -3.67 -0.04 0.00 -1.58 0.00 0.00 42.46 37.02 2cqp s ILE 927 CO 0.09 0.35 0.08 -0.63 -1.23 0.00 0.00 174.94 173.61 2cqp s ILE 928 N 0.66 4.61 -0.14 2.92 1.01 0.59 -0.76 121.20 130.10 2cqp s ILE 928 Ca 0.18 -0.66 -0.01 0.00 0.00 0.00 0.00 60.65 60.16 2cqp s ILE 928 Cb -0.14 -3.19 -0.02 0.00 0.01 0.00 0.00 42.46 39.12 2cqp s ILE 928 CO 0.05 0.19 -0.12 -0.54 0.00 0.00 0.00 174.94 174.52 2cqp s LYS 929 N -2.22 3.42 -0.11 2.79 1.02 -0.78 -2.09 119.74 121.76 2cqp s LYS 929 Ca 0.28 -0.66 -0.01 0.00 0.02 0.00 0.00 55.97 55.60 2cqp s LYS 929 Cb -0.12 -2.68 -0.02 0.00 -0.52 0.00 0.00 37.83 34.48 2cqp s LYS 929 CO 0.20 0.20 -0.09 0.08 -0.92 0.00 0.00 175.35 174.82 2cqp s VAL 930 N 0.40 3.46 0.27 3.17 1.01 0.92 -1.95 120.40 127.69 2cqp s VAL 930 Ca -0.09 -0.54 0.02 0.00 0.00 0.00 0.00 61.98 61.38 2cqp s VAL 930 Cb -0.16 -2.45 -0.04 0.00 0.00 0.00 0.00 36.38 33.73 2cqp s VAL 930 CO 0.05 0.54 0.16 -1.58 0.00 0.00 0.00 175.10 174.27 2cqp s GLN 931 N -0.06 1.49 -1.00 2.72 0.74 -0.49 -1.64 119.66 121.42 2cqp s GLN 931 Ca -0.01 -1.83 -0.01 0.00 0.05 0.00 0.00 55.36 53.56 2cqp s GLN 931 Cb -0.14 0.07 -0.01 0.00 1.10 0.00 0.00 33.01 34.03 2cqp s GLN 931 CO 0.03 -0.45 0.84 -1.71 -0.55 0.00 0.00 175.29 173.45 2cqp n ASN 932 N -0.79 -2.60 -4.23 6.67 4.05 -1.17 -0.60 115.26 116.59 2cqp n ASN 932 Ca 0.02 -0.54 -0.32 0.00 0.45 0.00 0.00 54.58 54.19 2cqp n ASN 932 Cb 0.65 -4.45 -0.16 0.00 1.23 0.00 0.00 39.78 37.05 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 -5.02 3.11 0.80 1.20 -1.94 -0.94 -3.70 119.30 112.81 2cqp s MET 933 Ca 0.06 -0.83 -0.11 0.00 -1.71 0.00 0.00 55.69 53.10 2cqp s MET 933 Cb -0.01 -2.41 0.07 0.00 2.01 0.00 0.00 34.83 34.49 2cqp s MET 933 CO 0.62 0.12 1.09 -1.25 -0.01 0.00 0.00 175.02 175.60 2cqp s PRO 934 N 0.50 2.03 0.48 2.03 0.04 -1.26 -3.91 135.00 134.90 2cqp s PRO 934 Ca -0.14 1.09 0.16 0.00 0.04 0.00 0.00 61.00 62.15 2cqp s PRO 934 Cb -0.17 -1.88 1.15 0.00 0.04 0.00 0.00 34.50 33.65 2cqp s PRO 934 CO 0.05 -1.78 2.05 0.74 0.04 0.00 0.00 177.00 178.11 2cqp h PHE 935 N -1.22 0.22 -0.65 0.56 0.04 -1.99 -1.11 116.94 112.78 2cqp h PHE 935 Ca -0.45 0.01 0.11 0.00 2.80 0.00 0.00 57.97 60.44 2cqp h PHE 935 Cb 1.24 -0.07 -0.04 0.00 2.20 0.00 0.00 35.95 39.28 2cqp h PHE 935 CO 0.54 0.12 0.44 1.79 -0.60 0.00 0.00 178.31 180.60 2cqp h THR 936 N 0.22 0.87 -1.88 -1.55 1.35 -2.01 -3.43 112.91 106.49 2cqp h THR 936 Ca 0.16 -0.14 -0.65 0.00 -0.55 0.00 0.00 66.41 65.22 2cqp h THR 936 Cb 0.35 0.41 0.09 0.00 -1.73 0.00 0.00 68.15 67.27 2cqp h THR 936 CO -0.03 0.08 0.15 0.52 -0.25 0.00 0.00 175.52 175.99 2cqp n VAL 937 N -4.47 1.14 -4.25 6.82 0.31 -0.42 -4.98 118.33 112.48 2cqp n VAL 937 Ca 0.11 -0.28 -0.15 0.00 -0.01 0.00 0.00 64.34 64.01 2cqp n VAL 937 Cb 0.41 -0.73 -0.10 0.00 -0.91 0.00 0.00 33.84 32.51 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 -0.20 0.71 0.22 4.52 0.01 -1.26 -5.03 113.70 112.67 2cqp s SER 938 Ca 0.71 -1.46 -0.08 0.00 1.31 0.00 0.00 55.95 56.43 2cqp s SER 938 Cb -0.86 0.37 0.24 0.00 0.21 0.00 0.00 66.02 65.97 2cqp s SER 938 CO 0.54 -0.86 1.87 0.40 0.41 0.00 0.00 173.24 175.61 2cqp h ILE 939 N 2.46 1.13 -0.32 1.44 2.04 -1.99 -0.38 117.51 121.89 2cqp h ILE 939 Ca -0.35 -0.35 -0.02 0.00 1.00 0.00 0.00 64.86 65.15 2cqp h ILE 939 Cb 1.25 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 2cqp h ILE 939 CO 0.52 0.19 0.13 0.44 0.00 0.00 0.00 178.15 179.43 2cqp h ASP 940 N 1.02 0.44 -0.70 1.72 3.32 -1.99 -1.24 116.42 118.98 2cqp h ASP 940 Ca 0.32 -0.16 -0.03 0.00 0.02 0.00 0.00 57.03 57.19 2cqp h ASP 940 Cb -0.00 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.40 2cqp h ASP 940 CO -0.11 0.48 0.34 -0.33 -1.72 0.00 0.00 179.24 177.89 2cqp h GLU 941 N 0.37 1.01 -0.10 3.56 4.39 -1.86 -1.76 114.58 120.18 2cqp h GLU 941 Ca 0.11 -0.15 -0.00 0.00 0.34 0.00 0.00 59.36 59.65 2cqp h GLU 941 Cb 0.17 -0.18 -0.00 0.00 -0.10 0.00 0.00 28.75 28.64 2cqp h GLU 941 CO -0.01 0.79 0.05 0.82 -1.16 0.00 0.00 179.01 179.50 2cqp h ILE 942 N 0.97 1.12 -0.83 3.13 2.04 -0.89 0.14 117.51 123.19 2cqp h ILE 942 Ca 0.24 -0.35 0.04 0.00 1.00 0.00 0.00 64.86 65.80 2cqp h ILE 942 Cb 0.12 1.16 -0.05 0.00 -0.74 0.00 0.00 36.82 37.31 2cqp h ILE 942 CO -0.03 0.10 0.53 -0.07 0.00 0.00 0.00 178.15 178.68 2cqp h LEU 943 N 0.04 0.85 -0.79 1.44 3.38 -1.07 -1.46 115.31 117.71 2cqp h LEU 943 Ca 0.04 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.88 2cqp h LEU 943 Cb 0.12 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 2cqp h LEU 943 CO -0.00 0.57 -0.60 -0.78 0.09 0.00 0.00 178.44 177.72 2cqp h ASP 944 N 1.00 0.04 -0.67 -0.43 1.82 -1.11 -3.06 116.42 114.00 2cqp h ASP 944 Ca 0.34 -0.02 -0.07 0.00 -0.39 0.00 0.00 57.03 56.89 2cqp h ASP 944 Cb 0.06 -0.01 -0.03 0.00 0.68 0.00 0.00 39.33 40.04 2cqp h ASP 944 CO -0.13 0.63 0.14 0.15 -1.61 0.00 0.00 179.24 178.41 2cqp h PHE 945 N 0.02 1.16 -0.26 0.28 3.04 0.30 -2.03 116.94 119.45 2cqp h PHE 945 Ca -0.01 -0.15 0.00 0.00 3.98 0.00 0.00 57.97 61.80 2cqp h PHE 945 Cb 1.06 -0.32 0.00 0.00 2.56 0.00 0.00 35.95 39.25 2cqp h PHE 945 CO 0.00 0.96 0.00 1.19 -2.02 0.00 0.00 178.31 178.44 2cqp n PHE 946 N -4.22 0.52 -1.47 0.41 3.72 -0.79 -4.95 117.46 110.68 2cqp n PHE 946 Ca 0.05 -0.22 -0.40 0.00 -0.05 0.00 0.00 57.45 56.83 2cqp n PHE 946 Cb 0.27 -0.09 0.02 0.00 -0.94 0.00 0.00 39.48 38.75 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 0.30 -0.52 0.00 1.38 9.36 -0.77 -2.42 117.16 124.50 2cqp n TYR 947 Ca 0.10 0.51 0.00 0.00 3.32 0.00 0.00 57.90 61.83 2cqp n TYR 947 Cb 0.36 -1.98 0.00 0.00 -0.63 0.00 0.00 39.34 37.09 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 1.75 2.81 3.92 2.98 0.00 -1.26 -5.02 105.19 110.38 2cqp n GLY 948 Ca 0.11 -0.73 -0.26 0.00 0.00 0.00 0.00 46.02 45.15 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 -0.53 3.52 -0.89 1.61 2.02 -1.01 -5.03 117.35 117.03 2cqp s TYR 949 Ca 0.00 0.56 -0.18 0.00 -0.37 0.00 0.00 57.07 57.08 2cqp s TYR 949 Cb 0.00 -2.08 0.14 0.00 -0.40 0.00 0.00 41.96 39.63 2cqp s TYR 949 CO 0.00 -0.02 1.04 -0.65 -1.57 0.00 0.00 175.55 174.35 2cqp s GLN 950 N -4.38 3.56 -0.01 -0.62 -0.21 -1.26 -5.02 119.66 111.73 2cqp s GLN 950 Ca 0.43 -1.84 -0.26 0.00 0.02 0.00 0.00 55.36 53.71 2cqp s GLN 950 Cb -0.10 -4.78 -0.04 0.00 1.00 0.00 0.00 33.01 29.09 2cqp s GLN 950 CO 0.38 -1.68 0.83 0.08 -2.12 0.00 0.00 175.29 172.78 2cqp s VAL 951 N 2.28 4.88 0.19 1.09 1.01 -1.26 -4.71 120.40 123.87 2cqp s VAL 951 Ca 0.29 1.74 -0.32 0.00 0.00 0.00 0.00 61.98 63.68 2cqp s VAL 951 Cb -0.07 -4.17 -0.12 0.00 0.00 0.00 0.00 36.38 32.02 2cqp s VAL 951 CO -0.08 0.25 1.71 -0.38 0.00 0.00 0.00 175.10 176.60 2cqp n ILE 952 N 3.53 0.03 -2.20 2.22 5.41 -1.19 -4.93 119.36 122.24 2cqp n ILE 952 Ca 0.01 -0.01 -0.42 0.00 1.00 0.00 0.00 62.75 63.34 2cqp n ILE 952 Cb 0.51 -1.91 -0.03 0.00 -0.71 0.00 0.00 39.64 37.49 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 1.25 4.32 0.00 0.38 0.04 -1.26 -2.58 135.00 137.16 2cqp s PRO 953 Ca 0.76 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.83 2cqp s PRO 953 Cb -0.54 -3.32 0.00 0.00 0.04 0.00 0.00 34.50 30.69 2cqp s PRO 953 CO 0.34 -0.45 0.00 0.41 0.04 0.00 0.00 177.00 177.34 2cqp n GLY 954 N 3.50 1.32 0.06 0.56 0.00 -1.26 -4.92 105.19 104.46 2cqp n GLY 954 Ca 0.12 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 0.03 -0.04 1.61 4.64 -1.85 -3.43 113.55 114.50 2cqp h SER 955 Ca 0.00 -0.52 -0.62 0.00 -0.47 0.00 0.00 61.79 60.19 2cqp h SER 955 Cb 0.00 -0.01 -0.07 0.00 -0.31 0.00 0.00 62.40 62.02 2cqp h SER 955 CO 0.00 0.54 1.57 0.52 -0.87 0.00 0.00 176.83 178.59 2cqp n VAL 956 N -4.82 0.00 -4.09 0.95 0.31 -1.24 -4.54 118.33 104.90 2cqp n VAL 956 Ca -0.08 -0.01 -0.32 0.00 -0.01 0.00 0.00 64.34 63.91 2cqp n VAL 956 Cb 0.27 -0.55 -0.16 0.00 -0.91 0.00 0.00 33.84 32.50 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 4.49 -0.26 0.00 1.43 -1.26 -1.10 118.68 123.26 2cqp s LEU 958 Ca 0.02 1.49 -0.12 0.00 -1.03 0.00 0.00 54.13 54.48 2cqp s LEU 958 Cb -0.15 -3.23 -0.05 0.00 0.03 0.00 0.00 46.19 42.80 2cqp s LEU 958 CO -0.11 0.08 0.25 -0.75 0.23 0.00 0.00 176.35 176.05 2cqp s LYS 959 N -0.38 4.01 0.51 1.70 2.47 -0.70 -5.00 119.74 122.34 2cqp s LYS 959 Ca 0.37 -0.16 0.07 0.00 -1.56 0.00 0.00 55.97 54.69 2cqp s LYS 959 Cb -0.21 -3.62 0.03 0.00 -1.46 0.00 0.00 37.83 32.56 2cqp s LYS 959 CO 0.24 -0.15 0.47 0.71 0.16 0.00 0.00 175.35 176.77 2cqp s TYR 960 N 1.67 1.94 0.34 4.03 2.02 -1.26 -3.01 117.35 123.07 2cqp s TYR 960 Ca 0.10 -0.71 0.01 0.00 -0.37 0.00 0.00 57.07 56.11 2cqp s TYR 960 Cb -0.15 -2.05 -0.03 0.00 -0.40 0.00 0.00 41.96 39.33 2cqp s TYR 960 CO 0.09 -0.48 0.52 1.21 -1.57 0.00 0.00 175.55 175.32 2cqp s ASN 961 N -4.30 6.25 0.36 2.29 2.47 0.36 -4.79 114.94 117.57 2cqp s ASN 961 Ca 0.44 0.35 0.17 0.00 0.42 0.00 0.00 52.86 54.24 2cqp s ASN 961 Cb -0.03 -1.94 1.15 0.00 -1.45 0.00 0.00 41.25 38.98 2cqp s ASN 961 CO 0.27 -0.29 1.66 1.05 -3.72 0.00 0.00 177.10 176.07 2cqp h GLU 962 N 0.80 0.27 0.06 0.43 4.11 -2.01 0.60 114.58 118.85 2cqp h GLU 962 Ca -0.50 -0.02 -0.26 0.00 0.07 0.00 0.00 59.36 58.66 2cqp h GLU 962 Cb 1.22 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 30.42 2cqp h GLU 962 CO 0.61 0.18 -1.10 0.87 0.07 0.00 0.00 179.01 179.64 2cqp h LYS 963 N 0.28 0.43 0.00 1.06 1.79 -2.05 -3.47 116.57 114.61 2cqp h LYS 963 Ca 0.74 -0.55 0.00 0.00 -2.18 0.00 0.00 60.65 58.66 2cqp h LYS 963 Cb 1.81 0.18 0.00 0.00 -1.58 0.00 0.00 32.23 32.64 2cqp h LYS 963 CO -0.57 1.21 0.00 0.41 -1.08 0.00 0.00 179.45 179.41 2cqp n GLY 964 N 1.20 -0.05 3.79 3.86 0.00 0.21 -5.13 105.19 109.06 2cqp n GLY 964 Ca -0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.57 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 4.34 0.25 1.61 -1.94 -1.26 -4.48 119.30 117.82 2cqp s MET 965 Ca 0.00 1.35 -0.30 0.00 -1.71 0.00 0.00 55.69 55.03 2cqp s MET 965 Cb 0.00 -2.56 -0.09 0.00 2.01 0.00 0.00 34.83 34.19 2cqp s MET 965 CO 0.00 0.05 1.27 -1.25 -0.01 0.00 0.00 175.02 175.08 2cqp s PRO 966 N -2.48 4.42 0.00 2.03 0.04 -1.26 0.13 135.00 137.88 2cqp s PRO 966 Ca 0.56 2.05 0.22 0.00 0.04 0.00 0.00 61.00 63.87 2cqp s PRO 966 Cb -0.18 -3.16 0.17 0.00 0.04 0.00 0.00 34.50 31.37 2cqp s PRO 966 CO 0.23 -0.16 1.19 0.25 0.04 0.00 0.00 177.00 178.56 2cqp n THR 967 N 1.92 0.00 -2.79 1.26 -2.24 -1.17 -4.86 114.28 106.41 2cqp n THR 967 Ca 0.03 -0.50 -0.09 0.00 -2.27 0.00 0.00 64.05 61.23 2cqp n THR 967 Cb 0.43 1.45 0.02 0.00 -2.10 0.00 0.00 70.33 70.14 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 1.24 0.31 3.10 3.38 0.00 -1.25 -4.79 105.19 107.18 2cqp n GLY 968 Ca 0.13 -0.35 -0.18 0.00 0.00 0.00 0.00 46.02 45.62 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 -5.32 0.75 -0.00 1.61 2.02 -1.26 -2.21 118.70 114.29 2cqp s GLU 969 Ca 0.19 -0.69 -0.11 0.00 0.02 0.00 0.00 54.97 54.38 2cqp s GLU 969 Cb -0.08 -0.70 0.01 0.00 0.10 0.00 0.00 34.13 33.46 2cqp s GLU 969 CO 0.23 0.17 0.21 0.00 0.02 0.00 0.00 175.26 175.90 2cqp s ALA 970 N -0.91 -0.53 0.03 5.21 0.00 -0.65 -1.72 121.76 123.18 2cqp s ALA 970 Ca -0.02 0.07 0.08 0.00 0.00 0.00 0.00 51.96 52.09 2cqp s ALA 970 Cb -0.08 0.10 -0.02 0.00 0.00 0.00 0.00 23.12 23.11 2cqp s ALA 970 CO 0.01 -0.23 -0.22 -1.64 0.00 0.00 0.00 175.76 173.67 2cqp s MET 971 N -1.36 1.59 0.07 0.00 -1.94 -0.26 -0.05 119.30 117.35 2cqp s MET 971 Ca -0.14 -0.95 -0.03 0.00 -1.71 0.00 0.00 55.69 52.86 2cqp s MET 971 Cb -0.07 -1.68 -0.03 0.00 2.01 0.00 0.00 34.83 35.06 2cqp s MET 971 CO 0.03 0.44 0.03 0.14 -0.01 0.00 0.00 175.02 175.64 2cqp s VAL 972 N -0.73 0.19 0.09 -6.03 -7.23 -0.89 -0.98 120.40 104.82 2cqp s VAL 972 Ca 0.09 -1.70 0.08 0.00 -1.81 0.00 0.00 61.98 58.65 2cqp s VAL 972 Cb -0.09 -1.56 -0.03 0.00 0.56 0.00 0.00 36.38 35.26 2cqp s VAL 972 CO 0.01 -0.85 -0.22 0.00 -0.31 0.00 0.00 175.10 173.73 2cqp s ALA 973 N -3.93 1.89 0.00 1.32 0.00 -1.26 -0.30 121.76 119.48 2cqp s ALA 973 Ca 0.09 -1.24 0.04 0.00 0.00 0.00 0.00 51.96 50.84 2cqp s ALA 973 Cb 0.07 -0.29 -0.01 0.00 0.00 0.00 0.00 23.12 22.89 2cqp s ALA 973 CO -0.09 0.40 -0.12 -0.06 0.00 0.00 0.00 175.76 175.89 2cqp s PHE 974 N -1.07 1.04 0.15 0.00 0.40 -0.05 -3.14 117.98 115.30 2cqp s PHE 974 Ca 0.08 -0.23 0.03 0.00 -0.60 0.00 0.00 56.93 56.20 2cqp s PHE 974 Cb -0.10 -0.65 -0.05 0.00 0.51 0.00 0.00 43.02 42.73 2cqp s PHE 974 CO 0.04 -0.01 1.35 0.93 0.70 0.00 0.00 175.22 178.23 2cqp h GLU 975 N 5.63 0.16 -5.38 0.44 4.39 -1.88 -1.41 114.58 116.54 2cqp h GLU 975 Ca -0.33 -0.20 -0.66 0.00 0.34 0.00 0.00 59.36 58.51 2cqp h GLU 975 Cb 1.17 0.06 -0.27 0.00 -0.10 0.00 0.00 28.75 29.61 2cqp h GLU 975 CO 0.48 0.97 -0.78 0.45 -1.16 0.00 0.00 179.01 178.97 2cqp s SER 976 N -6.91 3.88 0.19 1.42 0.15 -1.26 -4.81 113.70 106.36 2cqp s SER 976 Ca -0.02 -0.35 -0.10 0.00 0.70 0.00 0.00 55.95 56.17 2cqp s SER 976 Cb 0.10 -1.54 0.11 0.00 -1.71 0.00 0.00 66.02 62.98 2cqp s SER 976 CO 0.83 0.17 1.75 -0.09 1.20 0.00 0.00 173.24 177.10 2cqp h ARG 977 N 6.63 1.02 -0.90 5.44 2.43 -1.97 -2.13 114.38 124.90 2cqp h ARG 977 Ca -0.26 -0.19 0.02 0.00 -0.81 0.00 0.00 59.98 58.75 2cqp h ARG 977 Cb 1.21 -0.16 -0.05 0.00 -0.42 0.00 0.00 29.97 30.55 2cqp h ARG 977 CO 0.54 0.85 0.59 -0.44 -1.51 0.00 0.00 179.97 180.00 2cqp h ASP 978 N 0.97 0.99 -0.33 -3.80 3.32 -1.99 -1.46 116.42 114.12 2cqp h ASP 978 Ca 0.23 -0.02 -0.08 0.00 0.02 0.00 0.00 57.03 57.18 2cqp h ASP 978 Cb 0.21 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 2cqp h ASP 978 CO -0.02 0.70 -0.12 -0.33 -1.72 0.00 0.00 179.24 177.75 2cqp h GLU 979 N 1.16 0.66 -0.03 3.56 4.39 -1.90 -1.08 114.58 121.34 2cqp h GLU 979 Ca 0.35 -0.27 0.01 0.00 0.34 0.00 0.00 59.36 59.78 2cqp h GLU 979 Cb -0.05 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.57 2cqp h GLU 979 CO -0.09 0.86 -0.01 0.00 -1.16 0.00 0.00 179.01 178.61 2cqp h ALA 980 N 0.78 0.02 -0.51 3.43 0.00 -0.92 0.17 119.26 122.24 2cqp h ALA 980 Ca 0.08 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 2cqp h ALA 980 Cb 0.64 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 2cqp h ALA 980 CO 0.04 -0.50 0.17 1.15 0.00 0.00 0.00 179.25 180.12 2cqp h THR 981 N -0.00 1.22 -0.72 0.00 2.02 -1.29 -1.82 112.91 112.32 2cqp h THR 981 Ca 0.01 -0.74 -0.00 0.00 0.77 0.00 0.00 66.41 66.46 2cqp h THR 981 Cb 0.02 0.75 -0.04 0.00 -1.74 0.00 0.00 68.15 67.15 2cqp h THR 981 CO -0.03 0.27 0.45 0.00 0.37 0.00 0.00 175.52 176.58 2cqp h ALA 982 N 1.03 0.92 -0.54 6.16 0.00 -0.99 0.30 119.26 126.13 2cqp h ALA 982 Ca 0.16 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 2cqp h ALA 982 Cb 0.25 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2cqp h ALA 982 CO -0.01 0.38 0.16 0.00 0.00 0.00 0.00 179.25 179.78 2cqp h ALA 983 N 1.24 0.71 -0.07 0.00 0.00 -0.76 -0.37 119.26 120.01 2cqp h ALA 983 Ca 0.26 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2cqp h ALA 983 Cb -0.05 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 2cqp h ALA 983 CO -0.05 0.38 0.00 0.28 0.00 0.00 0.00 179.25 179.86 2cqp h VAL 984 N 0.75 1.25 -0.50 0.00 2.07 -1.00 0.57 116.25 119.39 2cqp h VAL 984 Ca 0.17 -0.77 0.00 0.00 0.82 0.00 0.00 66.70 66.93 2cqp h VAL 984 Cb 0.29 1.63 -0.02 0.00 -1.52 0.00 0.00 31.29 31.67 2cqp h VAL 984 CO -0.00 0.21 0.33 0.40 0.02 0.00 0.00 177.57 178.53 2cqp h ILE 985 N -0.16 1.13 0.00 4.57 2.04 -0.89 1.90 117.51 126.10 2cqp h ILE 985 Ca 0.02 -0.26 -0.14 0.00 1.00 0.00 0.00 64.86 65.48 2cqp h ILE 985 Cb 0.33 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 36.80 2cqp h ILE 985 CO 0.00 0.13 -0.68 0.44 0.00 0.00 0.00 178.15 178.05 2cqp h ASP 986 N 0.68 0.00 -0.36 1.72 5.19 -1.03 -3.19 116.42 119.43 2cqp h ASP 986 Ca 0.18 0.00 -0.20 0.00 -0.62 0.00 0.00 57.03 56.39 2cqp h ASP 986 Cb -0.07 0.00 -0.12 0.00 0.18 0.00 0.00 39.33 39.32 2cqp h ASP 986 CO -0.04 0.68 -0.14 0.18 -3.12 0.00 0.00 179.24 176.80 2cqp n LEU 987 N -3.63 4.15 -4.73 1.55 4.77 0.20 -4.99 117.00 114.32 2cqp n LEU 987 Ca -0.01 -3.87 -0.39 0.00 -0.03 0.00 0.00 56.01 51.71 2cqp n LEU 987 Cb 0.69 -0.62 -0.05 0.00 -2.33 0.00 0.00 43.42 41.10 2cqp n LEU 987 CO 0.43 1.34 0.34 0.21 -1.33 0.00 0.00 177.39 178.37 2cqp s ASN 988 N -2.64 6.97 -1.40 -1.43 3.84 0.64 -4.02 114.94 116.89 2cqp s ASN 988 Ca 0.45 1.16 -0.08 0.00 0.21 0.00 0.00 52.86 54.60 2cqp s ASN 988 Cb 0.41 -2.39 0.04 0.00 -0.55 0.00 0.00 41.25 38.76 2cqp s ASN 988 CO -0.01 -0.02 0.97 0.47 -2.79 0.00 0.00 177.10 175.72 2cqp n ASP 989 N 3.34 -4.02 -4.75 -4.21 8.00 -0.99 -4.95 116.55 108.98 2cqp n ASP 989 Ca -0.04 -0.71 -0.39 0.00 0.71 0.00 0.00 54.79 54.35 2cqp n ASP 989 Cb 0.51 -4.34 -0.05 0.00 -0.02 0.00 0.00 41.12 37.22 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 -6.26 4.42 -1.08 -1.24 0.52 -1.22 -4.73 118.95 109.36 2cqp s ARG 990 Ca 0.42 0.90 -0.23 0.00 -0.52 0.00 0.00 55.73 56.30 2cqp s ARG 990 Cb -0.20 -3.37 -0.07 0.00 0.52 0.00 0.00 34.95 31.83 2cqp s ARG 990 CO 0.79 0.29 1.94 -1.25 0.02 0.00 0.00 175.30 177.09 2cqp s PRO 991 N 0.00 2.51 -0.05 3.54 0.04 -1.26 -1.36 135.00 138.43 2cqp s PRO 991 Ca 0.35 -0.84 -0.27 0.00 0.04 0.00 0.00 61.00 60.28 2cqp s PRO 991 Cb -0.19 -5.18 -0.03 0.00 0.04 0.00 0.00 34.50 29.14 2cqp s PRO 991 CO 0.20 -3.76 0.87 0.42 0.04 0.00 0.00 177.00 174.77 2cqp s ILE 992 N 10.68 4.92 0.00 0.56 1.01 0.19 -4.74 121.20 133.83 2cqp s ILE 992 Ca 0.69 1.80 0.00 0.00 0.00 0.00 0.00 60.65 63.14 2cqp s ILE 992 Cb -0.03 -4.20 0.00 0.00 0.01 0.00 0.00 42.46 38.24 2cqp s ILE 992 CO 0.08 0.16 0.00 0.61 0.00 0.00 0.00 174.94 175.79 2cqp n GLY 993 N 3.05 0.21 0.00 6.18 0.00 -1.26 -0.60 105.19 112.78 2cqp n GLY 993 Ca 0.04 0.68 0.00 0.00 0.00 0.00 0.00 46.02 46.74 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 4.25 0.31 -4.23 1.61 3.41 -1.26 -5.08 113.62 112.62 2cqp n SER 994 Ca 0.00 -0.85 -0.13 0.00 -0.26 0.00 0.00 58.87 57.62 2cqp n SER 994 Cb 0.00 0.07 -0.10 0.00 -0.26 0.00 0.00 64.21 63.92 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 -0.07 1.04 0.04 4.33 0.52 0.24 -5.12 118.95 119.94 2cqp s ARG 995 Ca 0.00 -1.47 -0.18 0.00 -0.52 0.00 0.00 55.73 53.56 2cqp s ARG 995 Cb 0.00 -0.40 -0.06 0.00 0.52 0.00 0.00 34.95 35.00 2cqp s ARG 995 CO 0.00 -0.03 0.52 0.15 0.02 0.00 0.00 175.30 175.96 2cqp s LYS 996 N -3.83 4.13 0.08 3.54 1.02 -1.26 0.57 119.74 123.98 2cqp s LYS 996 Ca 0.19 0.64 0.01 0.00 0.02 0.00 0.00 55.97 56.82 2cqp s LYS 996 Cb 0.05 -3.24 -0.04 0.00 -0.52 0.00 0.00 37.83 34.08 2cqp s LYS 996 CO 0.01 0.63 0.21 0.14 -0.92 0.00 0.00 175.35 175.42 2cqp s VAL 997 N -1.02 5.26 -0.16 3.17 -7.23 -0.46 -4.61 120.40 115.35 2cqp s VAL 997 Ca 0.27 -0.50 -0.01 0.00 -1.81 0.00 0.00 61.98 59.93 2cqp s VAL 997 Cb -0.19 -3.60 -0.01 0.00 0.56 0.00 0.00 36.38 33.15 2cqp s VAL 997 CO 0.17 0.09 -0.12 -0.75 -0.31 0.00 0.00 175.10 174.18 2cqp s LYS 998 N -2.65 3.32 -0.13 4.82 2.47 0.24 -2.35 119.74 125.46 2cqp s LYS 998 Ca 0.34 -0.69 -0.02 0.00 -1.56 0.00 0.00 55.97 54.04 2cqp s LYS 998 Cb -0.12 -2.71 -0.02 0.00 -1.46 0.00 0.00 37.83 33.51 2cqp s LYS 998 CO 0.27 0.06 -0.08 -0.51 0.16 0.00 0.00 175.35 175.25 2cqp s LEU 999 N 0.75 3.04 -0.02 5.43 1.43 -1.26 -1.39 118.68 126.65 2cqp s LEU 999 Ca -0.05 -0.18 0.03 0.00 -1.03 0.00 0.00 54.13 52.90 2cqp s LEU 999 Cb -0.15 -1.70 -0.00 0.00 0.03 0.00 0.00 46.19 44.36 2cqp s LEU 999 CO 0.01 0.20 -0.11 -0.69 0.23 0.00 0.00 176.35 176.00 2cqp s VAL 1000N 0.14 0.92 0.13 -1.59 1.01 -0.82 -4.96 120.40 115.24 2cqp s VAL 1000Ca -0.04 -0.46 -0.30 0.00 0.00 0.00 0.00 61.98 61.18 2cqp s VAL 1000Cb -0.14 -0.79 -0.07 0.00 0.00 0.00 0.00 36.38 35.37 2cqp s VAL 1000CO 0.04 0.27 1.24 -0.76 0.00 0.00 0.00 175.10 175.89 2cqp s LEU 1001N -0.02 4.41 0.00 3.92 1.43 -1.26 -1.86 118.68 125.30 2cqp s LEU 1001Ca -0.00 2.19 0.00 0.00 -1.03 0.00 0.00 54.13 55.29 2cqp s LEU 1001Cb -0.07 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.55 2cqp s LEU 1001CO 0.00 -0.47 0.77 0.61 0.23 0.00 0.00 176.35 177.50 2cqp n GLY 1002N 2.78 -3.18 3.43 -3.19 0.00 0.06 -4.37 105.19 100.72 2cqp n GLY 1002Ca 0.07 0.48 -0.37 0.00 0.00 0.00 0.00 46.02 46.20 2cqp n GLY 1002CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cqp s SER 1003N -2.70 5.28 0.00 1.61 0.01 -1.26 -4.76 113.70 111.87 2cqp s SER 1003Ca 0.00 -0.38 0.00 0.00 1.31 0.00 0.00 55.95 56.88 2cqp s SER 1003Cb 0.00 -1.94 0.00 0.00 0.21 0.00 0.00 66.02 64.29 2cqp s SER 1003CO 0.00 -0.11 0.00 0.61 0.41 0.00 0.00 173.24 174.15 2cqp n GLY 1004N 4.94 0.14 3.77 3.44 0.00 -1.26 -4.83 105.19 111.38 2cqp n GLY 1004Ca -0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.35 4.46 0.17 1.61 0.04 -1.26 -5.14 135.00 134.53 2cqp s PRO 1005Ca 0.00 2.05 -0.25 0.00 0.04 0.00 0.00 61.00 62.84 2cqp s PRO 1005Cb 0.00 -3.11 -0.08 0.00 0.04 0.00 0.00 34.50 31.35 2cqp s PRO 1005CO 0.00 -0.04 0.77 0.45 0.04 0.00 0.00 177.00 178.23 2cqp s SER 1006N -0.65 7.36 0.29 6.66 0.15 -1.26 -5.06 113.70 121.19 2cqp s SER 1006Ca 0.47 1.63 -0.20 0.00 0.70 0.00 0.00 55.95 58.55 2cqp s SER 1006Cb -0.37 -2.49 0.02 0.00 -1.71 0.00 0.00 66.02 61.47 2cqp s SER 1006CO 0.48 0.19 0.71 -0.94 1.20 0.00 0.00 173.24 174.88 2cqp s SER 1007N -1.20 -0.22 0.00 5.45 1.04 -1.26 -4.63 113.70 112.87 2cqp s SER 1007Ca 0.37 -0.68 0.00 0.00 0.48 0.00 0.00 55.95 56.12 2cqp s SER 1007Cb -0.22 0.73 0.00 0.00 0.10 0.00 0.00 66.02 66.63 2cqp s SER 1007CO 0.26 -1.37 0.00 0.61 0.98 0.00 0.00 173.24 173.72