#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 4.00 0.09 1.61 1.04 -1.26 -5.10 113.70 114.09 2cqp s SER 912 Ca 0.00 -1.33 -0.34 0.00 0.48 0.00 0.00 55.95 54.76 2cqp s SER 912 Cb 0.00 -1.22 -0.13 0.00 0.10 0.00 0.00 66.02 64.77 2cqp s SER 912 CO 0.00 -0.26 1.65 -1.54 0.98 0.00 0.00 173.24 174.07 2cqp n SER 913 N 4.63 3.16 -2.06 7.02 3.41 -1.26 -4.98 113.62 123.54 2cqp n SER 913 Ca -0.10 1.05 0.00 0.00 -0.26 0.00 0.00 58.87 59.57 2cqp n SER 913 Cb 0.43 -1.41 0.00 0.00 -0.26 0.00 0.00 64.21 62.98 2cqp n SER 913 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cqp n GLY 914 N 3.66 -0.71 2.58 5.00 0.00 -1.26 -5.07 105.19 109.39 2cqp n GLY 914 Ca 0.18 -1.72 -0.29 0.00 0.00 0.00 0.00 46.02 44.20 2cqp n GLY 914 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cqp s SER 915 N -1.00 3.00 0.93 1.61 0.15 -1.26 -5.13 113.70 112.00 2cqp s SER 915 Ca 0.00 -2.76 -0.12 0.00 0.70 0.00 0.00 55.95 53.77 2cqp s SER 915 Cb 0.00 -0.77 0.05 0.00 -1.71 0.00 0.00 66.02 63.60 2cqp s SER 915 CO 0.00 -0.23 0.58 -0.24 1.20 0.00 0.00 173.24 174.54 2cqp n SER 916 N 3.32 -1.48 -2.86 5.45 2.88 -1.26 -5.02 113.62 114.65 2cqp n SER 916 Ca 0.16 0.37 0.00 0.00 -1.33 0.00 0.00 58.87 58.07 2cqp n SER 916 Cb 0.39 -1.27 0.00 0.00 -0.75 0.00 0.00 64.21 62.58 2cqp n SER 916 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cqp n GLY 917 N 1.25 0.31 2.53 0.46 0.00 -1.26 -5.02 105.19 103.46 2cqp n GLY 917 Ca 0.08 -1.40 -0.11 0.00 0.00 0.00 0.00 46.02 44.58 2cqp n GLY 917 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cqp n ALA 918 N -3.00 3.71 -3.61 4.61 0.00 -1.26 -5.04 120.51 115.91 2cqp n ALA 918 Ca 0.00 -3.29 -0.03 0.00 0.00 0.00 0.00 53.44 50.12 2cqp n ALA 918 Cb 0.00 -0.68 -0.06 0.00 0.00 0.00 0.00 19.45 18.70 2cqp n ALA 918 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2cqp s SER 919 N -3.61 -0.69 -0.58 0.00 0.15 -1.26 -5.11 113.70 102.59 2cqp s SER 919 Ca 0.36 1.07 -0.27 0.00 0.70 0.00 0.00 55.95 57.82 2cqp s SER 919 Cb 0.38 1.40 -0.01 0.00 -1.71 0.00 0.00 66.02 66.08 2cqp s SER 919 CO -0.02 -0.17 1.71 -0.44 1.20 0.00 0.00 173.24 175.53 2cqp s SER 920 N 1.68 5.59 0.26 5.45 0.01 -1.26 -4.82 113.70 120.61 2cqp s SER 920 Ca -0.08 0.35 0.00 0.00 1.31 0.00 0.00 55.95 57.53 2cqp s SER 920 Cb -0.05 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.65 2cqp s SER 920 CO -0.17 -2.13 0.00 0.61 0.41 0.00 0.00 173.24 171.96 2cqp n GLY 921 N 5.56 -1.44 3.18 3.44 0.00 -1.26 -4.92 105.19 109.74 2cqp n GLY 921 Ca 0.17 -0.75 -0.20 0.00 0.00 0.00 0.00 46.02 45.24 2cqp n GLY 921 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cqp s LYS 922 N -2.30 0.92 -0.37 1.61 3.01 -1.26 -5.10 119.74 116.25 2cqp s LYS 922 Ca 0.00 -0.90 -0.28 0.00 -1.01 0.00 0.00 55.97 53.77 2cqp s LYS 922 Cb 0.00 -0.97 -0.01 0.00 -1.01 0.00 0.00 37.83 35.84 2cqp s LYS 922 CO 0.00 0.23 1.71 -1.25 0.51 0.00 0.00 175.35 176.55 2cqp s PRO 923 N -1.51 3.35 0.00 -1.68 0.04 -1.26 -4.83 135.00 129.11 2cqp s PRO 923 Ca 0.01 1.26 0.00 0.00 0.04 0.00 0.00 61.00 62.31 2cqp s PRO 923 Cb -0.09 -4.17 0.00 0.00 0.04 0.00 0.00 34.50 30.28 2cqp s PRO 923 CO 0.02 -1.84 0.00 0.41 0.04 0.00 0.00 177.00 175.63 2cqp n GLY 924 N 5.36 -0.76 3.60 0.56 0.00 -1.26 -5.17 105.19 107.52 2cqp n GLY 924 Ca 0.21 -0.33 -0.30 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.15 -1.14 -0.19 1.61 0.04 -1.26 -5.01 135.00 128.90 2cqp s PRO 925 Ca 0.00 -0.04 -0.18 0.00 0.04 0.00 0.00 61.00 60.83 2cqp s PRO 925 Cb 0.00 -1.60 -0.04 0.00 0.04 0.00 0.00 34.50 32.90 2cqp s PRO 925 CO 0.00 -3.66 0.48 0.99 0.04 0.00 0.00 177.00 174.85 2cqp s THR 926 N -3.01 5.14 -0.23 1.26 2.01 -0.40 -4.86 115.64 115.56 2cqp s THR 926 Ca 0.71 0.89 -0.09 0.00 0.31 0.00 0.00 61.69 63.50 2cqp s THR 926 Cb -0.10 -3.81 -0.05 0.00 0.01 0.00 0.00 72.50 68.56 2cqp s THR 926 CO 0.56 0.22 0.12 -0.63 -0.69 0.00 0.00 174.62 174.20 2cqp s ILE 927 N 1.41 5.09 -0.02 1.82 -1.09 -1.26 -0.16 121.20 126.98 2cqp s ILE 927 Ca 0.23 0.08 0.02 0.00 -2.23 0.00 0.00 60.65 58.75 2cqp s ILE 927 Cb -0.15 -3.35 -0.03 0.00 -1.58 0.00 0.00 42.46 37.34 2cqp s ILE 927 CO 0.09 0.38 -0.04 -0.63 -1.23 0.00 0.00 174.94 173.51 2cqp s ILE 928 N 0.93 3.86 -0.16 2.92 1.01 0.11 0.05 121.20 129.92 2cqp s ILE 928 Ca 0.06 -0.61 -0.02 0.00 0.00 0.00 0.00 60.65 60.08 2cqp s ILE 928 Cb -0.13 -2.66 -0.02 0.00 0.01 0.00 0.00 42.46 39.66 2cqp s ILE 928 CO 0.03 0.45 -0.09 -0.54 0.00 0.00 0.00 174.94 174.80 2cqp s LYS 929 N -1.27 3.47 -0.17 2.79 3.01 -0.85 -1.56 119.74 125.15 2cqp s LYS 929 Ca 0.16 -0.62 -0.05 0.00 -1.01 0.00 0.00 55.97 54.45 2cqp s LYS 929 Cb -0.11 -2.79 -0.03 0.00 -1.01 0.00 0.00 37.83 33.89 2cqp s LYS 929 CO 0.06 0.14 -0.01 0.08 0.51 0.00 0.00 175.35 176.13 2cqp s VAL 930 N 0.59 4.03 0.26 3.17 1.01 0.86 -1.66 120.40 128.65 2cqp s VAL 930 Ca -0.05 -0.30 0.02 0.00 0.00 0.00 0.00 61.98 61.64 2cqp s VAL 930 Cb -0.15 -2.79 -0.05 0.00 0.00 0.00 0.00 36.38 33.39 2cqp s VAL 930 CO 0.03 0.47 0.09 -1.58 0.00 0.00 0.00 175.10 174.11 2cqp s GLN 931 N 0.52 1.43 -0.70 2.72 0.74 -0.26 -1.91 119.66 122.20 2cqp s GLN 931 Ca -0.02 -1.77 -0.01 0.00 0.05 0.00 0.00 55.36 53.61 2cqp s GLN 931 Cb -0.14 -0.34 0.00 0.00 1.10 0.00 0.00 33.01 33.63 2cqp s GLN 931 CO 0.02 -0.28 0.59 -1.71 -0.55 0.00 0.00 175.29 173.37 2cqp n ASN 932 N -0.48 -2.58 -4.40 6.67 4.05 -1.24 -0.06 115.26 117.23 2cqp n ASN 932 Ca -0.00 -0.34 -0.33 0.00 0.45 0.00 0.00 54.58 54.36 2cqp n ASN 932 Cb 0.66 -3.09 -0.14 0.00 1.23 0.00 0.00 39.78 38.44 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 -4.99 2.96 1.12 1.20 -1.94 -1.12 -3.88 119.30 112.66 2cqp s MET 933 Ca 0.08 -0.72 -0.16 0.00 -1.71 0.00 0.00 55.69 53.18 2cqp s MET 933 Cb -0.03 -2.48 0.25 0.00 2.01 0.00 0.00 34.83 34.58 2cqp s MET 933 CO 0.41 0.38 1.10 -1.25 -0.01 0.00 0.00 175.02 175.66 2cqp s PRO 934 N -0.11 -0.54 0.37 2.03 0.04 -1.26 -4.28 135.00 131.24 2cqp s PRO 934 Ca -0.02 0.19 0.18 0.00 0.04 0.00 0.00 61.00 61.39 2cqp s PRO 934 Cb -0.14 -1.65 0.62 0.00 0.04 0.00 0.00 34.50 33.37 2cqp s PRO 934 CO 0.04 -3.31 1.71 0.74 0.04 0.00 0.00 177.00 176.21 2cqp h PHE 935 N -2.30 0.00 -0.12 0.56 0.04 -1.99 -3.02 116.94 110.10 2cqp h PHE 935 Ca -0.50 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.25 2cqp h PHE 935 Cb 1.31 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.45 2cqp h PHE 935 CO -1.03 0.39 -0.05 1.79 -0.60 0.00 0.00 178.31 178.81 2cqp h THR 936 N 0.00 1.12 -2.60 -1.55 1.35 -2.01 -3.44 112.91 105.78 2cqp h THR 936 Ca -0.00 -0.48 -0.58 0.00 -0.55 0.00 0.00 66.41 64.79 2cqp h THR 936 Cb 0.94 1.08 0.18 0.00 -1.73 0.00 0.00 68.15 68.63 2cqp h THR 936 CO 0.05 0.15 -0.75 0.52 -0.25 0.00 0.00 175.52 175.25 2cqp n VAL 937 N -4.38 1.25 -3.88 6.82 0.31 -1.14 -5.00 118.33 112.31 2cqp n VAL 937 Ca -0.01 -0.48 -0.08 0.00 -0.01 0.00 0.00 64.34 63.75 2cqp n VAL 937 Cb 0.19 -0.41 -0.02 0.00 -0.91 0.00 0.00 33.84 32.70 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 -1.15 -0.12 0.23 4.52 0.01 -1.26 -5.01 113.70 110.93 2cqp s SER 938 Ca 0.62 -0.83 -0.07 0.00 1.31 0.00 0.00 55.95 56.99 2cqp s SER 938 Cb -0.44 0.73 0.29 0.00 0.21 0.00 0.00 66.02 66.82 2cqp s SER 938 CO 0.61 -1.40 1.86 0.40 0.41 0.00 0.00 173.24 175.12 2cqp h ILE 939 N 2.04 1.09 -0.46 1.44 2.04 -1.99 0.48 117.51 122.16 2cqp h ILE 939 Ca -0.24 -0.34 -0.03 0.00 1.00 0.00 0.00 64.86 65.25 2cqp h ILE 939 Cb 1.25 -0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 2cqp h ILE 939 CO 0.30 0.18 0.19 0.44 0.00 0.00 0.00 178.15 179.26 2cqp h ASP 940 N 1.00 0.63 -0.44 1.72 3.32 -1.99 -0.61 116.42 120.05 2cqp h ASP 940 Ca 0.35 -0.17 -0.05 0.00 0.02 0.00 0.00 57.03 57.18 2cqp h ASP 940 Cb 0.08 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 2cqp h ASP 940 CO -0.14 0.62 0.06 -0.33 -1.72 0.00 0.00 179.24 177.73 2cqp h GLU 941 N 0.60 0.73 -0.15 3.56 4.39 -1.82 -2.09 114.58 119.80 2cqp h GLU 941 Ca 0.15 -0.20 -0.00 0.00 0.34 0.00 0.00 59.36 59.65 2cqp h GLU 941 Cb 0.19 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.75 2cqp h GLU 941 CO -0.01 0.77 0.08 0.82 -1.16 0.00 0.00 179.01 179.50 2cqp h ILE 942 N 0.59 1.11 -0.83 3.13 2.04 -0.76 0.89 117.51 123.69 2cqp h ILE 942 Ca 0.13 -0.32 0.05 0.00 1.00 0.00 0.00 64.86 65.72 2cqp h ILE 942 Cb 0.40 1.05 -0.06 0.00 -0.74 0.00 0.00 36.82 37.47 2cqp h ILE 942 CO 0.01 0.11 0.52 -0.07 0.00 0.00 0.00 178.15 178.71 2cqp h LEU 943 N 0.13 0.83 -0.78 1.44 3.38 -1.05 -1.37 115.31 117.89 2cqp h LEU 943 Ca 0.05 0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.90 2cqp h LEU 943 Cb 0.10 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 2cqp h LEU 943 CO -0.01 0.55 -0.57 -0.78 0.09 0.00 0.00 178.44 177.72 2cqp h ASP 944 N 0.97 0.15 -0.26 -0.43 1.82 -1.14 -2.91 116.42 114.62 2cqp h ASP 944 Ca 0.35 -0.08 -0.08 0.00 -0.39 0.00 0.00 57.03 56.83 2cqp h ASP 944 Cb 0.10 -0.04 -0.02 0.00 0.68 0.00 0.00 39.33 40.05 2cqp h ASP 944 CO -0.15 0.69 -0.09 0.15 -1.61 0.00 0.00 179.24 178.23 2cqp h PHE 945 N 0.10 0.70 -0.41 0.28 3.04 0.22 -2.10 116.94 118.78 2cqp h PHE 945 Ca -0.00 -0.11 0.00 0.00 3.98 0.00 0.00 57.97 61.84 2cqp h PHE 945 Cb 1.03 -0.19 0.00 0.00 2.56 0.00 0.00 35.95 39.35 2cqp h PHE 945 CO 0.01 0.72 0.00 1.19 -2.02 0.00 0.00 178.31 178.21 2cqp n PHE 946 N -4.19 0.70 -1.48 0.41 3.01 -0.71 -4.97 117.46 110.22 2cqp n PHE 946 Ca 0.01 -0.31 -0.39 0.00 1.01 0.00 0.00 57.45 57.77 2cqp n PHE 946 Cb 0.33 -0.07 0.03 0.00 -0.01 0.00 0.00 39.48 39.77 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 0.68 -0.50 0.00 1.38 9.36 -0.79 -2.37 117.16 124.93 2cqp n TYR 947 Ca 0.15 0.46 0.00 0.00 3.32 0.00 0.00 57.90 61.83 2cqp n TYR 947 Cb 0.45 -1.98 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 1.73 2.60 3.90 2.98 0.00 -1.26 -5.01 105.19 110.12 2cqp n GLY 948 Ca 0.12 -0.65 -0.31 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 -0.78 3.47 -1.18 1.61 2.02 -1.00 -5.02 117.35 116.48 2cqp s TYR 949 Ca 0.00 0.60 -0.18 0.00 -0.37 0.00 0.00 57.07 57.12 2cqp s TYR 949 Cb 0.00 -2.04 0.10 0.00 -0.40 0.00 0.00 41.96 39.62 2cqp s TYR 949 CO 0.00 0.38 1.53 -0.65 -1.57 0.00 0.00 175.55 175.23 2cqp s GLN 950 N -2.81 3.90 0.08 -0.62 -0.21 -1.26 -4.98 119.66 113.75 2cqp s GLN 950 Ca 0.42 -1.97 -0.30 0.00 0.02 0.00 0.00 55.36 53.52 2cqp s GLN 950 Cb -0.12 -5.30 -0.06 0.00 1.00 0.00 0.00 33.01 28.54 2cqp s GLN 950 CO 0.25 -2.05 1.19 0.08 -2.12 0.00 0.00 175.29 172.64 2cqp s VAL 951 N 3.43 3.99 0.17 1.09 1.01 -1.26 -4.68 120.40 124.16 2cqp s VAL 951 Ca 0.47 1.46 -0.33 0.00 0.00 0.00 0.00 61.98 63.58 2cqp s VAL 951 Cb 0.00 -3.94 -0.13 0.00 0.00 0.00 0.00 36.38 32.32 2cqp s VAL 951 CO 0.00 0.13 1.65 -0.38 0.00 0.00 0.00 175.10 176.51 2cqp n ILE 952 N 3.72 0.04 -2.22 2.22 5.41 -1.13 -4.92 119.36 122.47 2cqp n ILE 952 Ca 0.08 -0.01 -0.41 0.00 1.00 0.00 0.00 62.75 63.41 2cqp n ILE 952 Cb 0.46 -1.74 -0.03 0.00 -0.71 0.00 0.00 39.64 37.63 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 1.21 4.38 0.00 0.38 0.04 -1.26 -2.62 135.00 137.13 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 -0.61 -3.21 0.00 0.00 0.04 0.00 0.00 34.50 30.72 2cqp s PRO 953 CO 0.36 -0.27 0.00 0.41 0.04 0.00 0.00 177.00 177.54 2cqp n GLY 954 N 2.53 1.53 0.13 0.56 0.00 -1.26 -4.91 105.19 103.78 2cqp n GLY 954 Ca 0.07 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.17 0.00 1.61 4.64 -1.87 -3.44 113.55 114.32 2cqp h SER 955 Ca 0.00 -0.28 -0.51 0.00 -0.47 0.00 0.00 61.79 60.52 2cqp h SER 955 Cb 0.00 0.04 -0.06 0.00 -0.31 0.00 0.00 62.40 62.07 2cqp h SER 955 CO 0.00 0.40 1.38 0.52 -0.87 0.00 0.00 176.83 178.27 2cqp n VAL 956 N -4.89 0.00 -4.06 0.95 0.31 -1.24 -4.66 118.33 104.73 2cqp n VAL 956 Ca -0.06 0.00 -0.33 0.00 -0.01 0.00 0.00 64.34 63.94 2cqp n VAL 956 Cb 0.22 -0.43 -0.15 0.00 -0.91 0.00 0.00 33.84 32.57 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 1.21 4.33 -0.17 0.00 1.43 -1.26 -1.87 118.68 122.36 2cqp s LEU 958 Ca -0.02 1.35 -0.17 0.00 -1.03 0.00 0.00 54.13 54.26 2cqp s LEU 958 Cb -0.17 -3.25 -0.04 0.00 0.03 0.00 0.00 46.19 42.76 2cqp s LEU 958 CO -0.08 -0.17 0.43 -0.75 0.23 0.00 0.00 176.35 176.01 2cqp s LYS 959 N 0.89 4.25 0.28 1.70 2.47 -0.77 -5.02 119.74 123.54 2cqp s LYS 959 Ca 0.43 0.30 0.11 0.00 -1.56 0.00 0.00 55.97 55.24 2cqp s LYS 959 Cb -0.19 -3.49 -0.05 0.00 -1.46 0.00 0.00 37.83 32.65 2cqp s LYS 959 CO 0.21 0.06 -0.11 0.71 0.16 0.00 0.00 175.35 176.38 2cqp s TYR 960 N 0.99 2.47 0.89 4.03 2.02 -1.26 -1.39 117.35 125.11 2cqp s TYR 960 Ca 0.22 -0.29 -0.15 0.00 -0.37 0.00 0.00 57.07 56.48 2cqp s TYR 960 Cb -0.15 -1.10 0.21 0.00 -0.40 0.00 0.00 41.96 40.52 2cqp s TYR 960 CO 0.08 0.67 1.18 0.09 -1.57 0.00 0.00 175.55 176.00 2cqp n ASN 961 N -0.75 -0.04 -0.16 2.29 3.02 0.61 -4.81 115.26 115.42 2cqp n ASN 961 Ca -0.06 -1.41 0.05 0.00 -0.03 0.00 0.00 54.58 53.13 2cqp n ASN 961 Cb 0.60 -0.91 0.34 0.00 -0.61 0.00 0.00 39.78 39.19 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 0.77 0.00 3.52 4.57 -2.01 -0.93 114.58 120.50 2cqp h GLU 962 Ca -0.39 -0.05 -0.12 0.00 -1.18 0.00 0.00 59.36 57.63 2cqp h GLU 962 Cb 1.07 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 29.47 2cqp h GLU 962 CO 0.27 0.51 -0.56 0.87 -1.18 0.00 0.00 179.01 178.92 2cqp h LYS 963 N 0.79 0.00 0.00 1.92 1.57 -2.05 -3.47 116.57 115.33 2cqp h LYS 963 Ca 0.28 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 2cqp h LYS 963 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.43 2cqp h LYS 963 CO -0.08 0.56 0.00 0.41 -0.57 0.00 0.00 179.45 179.77 2cqp n GLY 964 N 0.56 2.15 3.64 3.86 0.00 -0.35 -5.11 105.19 109.94 2cqp n GLY 964 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.05 -0.17 -2.19 1.61 2.81 -1.26 -4.39 117.12 113.48 2cqp n MET 965 Ca 0.00 0.02 -0.42 0.00 -1.81 0.00 0.00 57.70 55.49 2cqp n MET 965 Cb 0.00 -2.33 -0.03 0.00 -0.71 0.00 0.00 33.22 30.15 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 -4.26 4.30 0.00 0.03 0.04 -1.26 -0.28 135.00 133.56 2cqp s PRO 966 Ca 0.68 2.03 0.11 0.00 0.04 0.00 0.00 61.00 63.86 2cqp s PRO 966 Cb -0.26 -3.43 0.37 0.00 0.04 0.00 0.00 34.50 31.22 2cqp s PRO 966 CO 0.56 -0.51 1.28 0.25 0.04 0.00 0.00 177.00 178.62 2cqp n THR 967 N 4.33 0.31 -2.37 1.26 -2.24 -0.48 -4.82 114.28 110.27 2cqp n THR 967 Ca 0.12 -0.33 -0.19 0.00 -2.27 0.00 0.00 64.05 61.38 2cqp n THR 967 Cb 0.43 0.18 -0.01 0.00 -2.10 0.00 0.00 70.33 68.83 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 0.95 -0.42 3.06 3.38 0.00 -1.26 -4.91 105.19 105.99 2cqp n GLY 968 Ca 0.10 -0.08 -0.16 0.00 0.00 0.00 0.00 46.02 45.88 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 -4.96 0.62 -0.01 1.61 2.02 -1.26 -2.77 118.70 113.95 2cqp s GLU 969 Ca 0.00 -0.61 -0.14 0.00 0.02 0.00 0.00 54.97 54.25 2cqp s GLU 969 Cb -0.00 -0.52 0.02 0.00 0.10 0.00 0.00 34.13 33.73 2cqp s GLU 969 CO 0.00 0.12 0.28 0.00 0.02 0.00 0.00 175.26 175.69 2cqp s ALA 970 N -0.89 -0.72 0.08 5.21 0.00 -0.80 -1.84 121.76 122.80 2cqp s ALA 970 Ca -0.03 0.25 0.09 0.00 0.00 0.00 0.00 51.96 52.27 2cqp s ALA 970 Cb -0.07 0.09 -0.03 0.00 0.00 0.00 0.00 23.12 23.10 2cqp s ALA 970 CO 0.01 -0.25 -0.24 -1.64 0.00 0.00 0.00 175.76 173.63 2cqp s MET 971 N -1.35 1.44 0.13 0.00 -1.94 -0.78 -0.10 119.30 116.70 2cqp s MET 971 Ca -0.14 -1.16 -0.02 0.00 -1.71 0.00 0.00 55.69 52.66 2cqp s MET 971 Cb -0.06 -1.73 -0.04 0.00 2.01 0.00 0.00 34.83 35.02 2cqp s MET 971 CO 0.04 0.43 0.08 0.14 -0.01 0.00 0.00 175.02 175.69 2cqp s VAL 972 N -0.96 0.10 0.06 -6.03 -7.23 -0.60 -1.57 120.40 104.17 2cqp s VAL 972 Ca 0.10 -1.85 0.05 0.00 -1.81 0.00 0.00 61.98 58.47 2cqp s VAL 972 Cb -0.10 -2.02 -0.03 0.00 0.56 0.00 0.00 36.38 34.80 2cqp s VAL 972 CO 0.04 -0.45 -0.14 0.00 -0.31 0.00 0.00 175.10 174.24 2cqp s ALA 973 N -4.04 1.11 0.01 1.32 0.00 -1.26 -0.72 121.76 118.19 2cqp s ALA 973 Ca 0.23 -0.91 0.05 0.00 0.00 0.00 0.00 51.96 51.33 2cqp s ALA 973 Cb 0.07 -0.11 -0.02 0.00 0.00 0.00 0.00 23.12 23.06 2cqp s ALA 973 CO 0.02 0.17 -0.15 -0.06 0.00 0.00 0.00 175.76 175.74 2cqp s PHE 974 N -1.13 1.31 0.11 0.00 0.40 0.77 -2.86 117.98 116.59 2cqp s PHE 974 Ca -0.01 -0.29 -0.00 0.00 -0.60 0.00 0.00 56.93 56.03 2cqp s PHE 974 Cb -0.09 -0.82 -0.19 0.00 0.51 0.00 0.00 43.02 42.43 2cqp s PHE 974 CO 0.02 0.00 1.24 0.93 0.70 0.00 0.00 175.22 178.11 2cqp h GLU 975 N 5.45 0.20 -5.25 0.44 4.39 -1.88 -1.04 114.58 116.89 2cqp h GLU 975 Ca -0.36 -0.30 -0.64 0.00 0.34 0.00 0.00 59.36 58.40 2cqp h GLU 975 Cb 1.17 0.10 -0.21 0.00 -0.10 0.00 0.00 28.75 29.71 2cqp h GLU 975 CO 0.47 1.10 -0.66 -1.12 -1.16 0.00 0.00 179.01 177.64 2cqp s SER 976 N -6.99 4.87 0.07 1.42 0.01 -1.26 -4.83 113.70 106.98 2cqp s SER 976 Ca -0.03 -0.13 -0.23 0.00 1.31 0.00 0.00 55.95 56.87 2cqp s SER 976 Cb 0.09 -1.81 -0.16 0.00 0.21 0.00 0.00 66.02 64.35 2cqp s SER 976 CO 0.86 0.14 1.65 -0.09 0.41 0.00 0.00 173.24 176.21 2cqp h ARG 977 N 6.91 0.00 -0.70 12.44 9.65 -1.98 -1.81 114.38 138.89 2cqp h ARG 977 Ca -0.33 -0.00 0.08 0.00 -1.10 0.00 0.00 59.98 58.63 2cqp h ARG 977 Cb 1.19 -0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 29.72 2cqp h ARG 977 CO 0.63 0.09 0.46 0.22 2.80 0.00 0.00 179.97 184.18 2cqp h ASP 978 N -0.09 0.59 -0.28 -3.80 1.82 -2.00 -1.90 116.42 110.77 2cqp h ASP 978 Ca 0.00 0.01 -0.06 0.00 -0.39 0.00 0.00 57.03 56.59 2cqp h ASP 978 Cb 0.09 -0.12 -0.01 0.00 0.68 0.00 0.00 39.33 39.97 2cqp h ASP 978 CO -0.00 0.37 -0.04 -0.33 -1.61 0.00 0.00 179.24 177.63 2cqp h GLU 979 N 0.67 0.52 -0.36 0.28 4.39 -1.89 -2.01 114.58 116.17 2cqp h GLU 979 Ca 0.31 -0.19 0.05 0.00 0.34 0.00 0.00 59.36 59.87 2cqp h GLU 979 Cb 0.36 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 28.93 2cqp h GLU 979 CO -0.10 0.71 0.10 0.00 -1.16 0.00 0.00 179.01 178.56 2cqp h ALA 980 N 0.79 0.41 -0.63 3.43 0.00 -0.56 0.17 119.26 122.87 2cqp h ALA 980 Ca 0.07 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 2cqp h ALA 980 Cb 0.50 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 2cqp h ALA 980 CO 0.02 -0.30 0.28 1.15 0.00 0.00 0.00 179.25 180.41 2cqp h THR 981 N 0.24 1.22 -0.68 0.00 2.02 -1.40 -1.63 112.91 112.68 2cqp h THR 981 Ca 0.17 -0.66 -0.08 0.00 0.77 0.00 0.00 66.41 66.61 2cqp h THR 981 Cb 0.17 0.49 -0.03 0.00 -1.74 0.00 0.00 68.15 67.04 2cqp h THR 981 CO -0.19 0.27 0.12 0.00 0.37 0.00 0.00 175.52 176.08 2cqp h ALA 982 N 1.12 0.90 -0.47 6.16 0.00 -0.83 -0.82 119.26 125.32 2cqp h ALA 982 Ca 0.21 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 2cqp h ALA 982 Cb 0.15 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2cqp h ALA 982 CO -0.02 0.67 0.16 0.00 0.00 0.00 0.00 179.25 180.05 2cqp h ALA 983 N 1.06 0.61 -0.12 0.00 0.00 -0.41 0.85 119.26 121.25 2cqp h ALA 983 Ca 0.21 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2cqp h ALA 983 Cb 0.44 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 2cqp h ALA 983 CO 0.01 0.24 -0.01 0.28 0.00 0.00 0.00 179.25 179.77 2cqp h VAL 984 N 0.61 1.27 -0.40 0.00 2.07 -1.16 0.27 116.25 118.92 2cqp h VAL 984 Ca 0.15 -0.88 -0.01 0.00 0.82 0.00 0.00 66.70 66.78 2cqp h VAL 984 Cb 0.24 1.62 -0.02 0.00 -1.52 0.00 0.00 31.29 31.61 2cqp h VAL 984 CO -0.01 0.25 0.21 0.40 0.02 0.00 0.00 177.57 178.44 2cqp h ILE 985 N -0.07 1.16 0.00 4.57 2.04 -1.09 1.90 117.51 126.02 2cqp h ILE 985 Ca 0.03 -0.43 -0.04 0.00 1.00 0.00 0.00 64.86 65.42 2cqp h ILE 985 Cb 0.40 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.19 2cqp h ILE 985 CO 0.01 0.17 -0.21 0.44 0.00 0.00 0.00 178.15 178.56 2cqp h ASP 986 N 0.51 0.00 -0.04 1.72 5.19 -0.82 -3.13 116.42 119.85 2cqp h ASP 986 Ca 0.14 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.52 2cqp h ASP 986 Cb 0.08 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.56 2cqp h ASP 986 CO -0.02 0.21 -0.53 0.18 -3.12 0.00 0.00 179.24 175.96 2cqp n LEU 987 N -3.30 2.76 -4.77 1.55 4.77 0.96 -5.00 117.00 113.97 2cqp n LEU 987 Ca 0.01 -3.89 -0.39 0.00 -0.03 0.00 0.00 56.01 51.71 2cqp n LEU 987 Cb 0.47 -0.50 -0.06 0.00 -2.33 0.00 0.00 43.42 41.00 2cqp n LEU 987 CO 0.34 1.41 0.32 0.21 -1.33 0.00 0.00 177.39 178.34 2cqp s ASN 988 N -3.22 7.06 -1.55 -1.43 3.04 0.64 -4.07 114.94 115.42 2cqp s ASN 988 Ca 0.38 1.26 -0.11 0.00 0.04 0.00 0.00 52.86 54.44 2cqp s ASN 988 Cb 0.37 -2.39 0.09 0.00 -1.54 0.00 0.00 41.25 37.78 2cqp s ASN 988 CO -0.07 0.15 0.75 -0.90 -3.04 0.00 0.00 177.10 173.99 2cqp n ASP 989 N 2.37 -2.87 -4.75 -4.21 5.68 -1.00 -4.92 116.55 106.86 2cqp n ASP 989 Ca -0.07 -0.92 -0.40 0.00 -0.50 0.00 0.00 54.79 52.90 2cqp n ASP 989 Cb 0.51 -3.28 -0.05 0.00 -1.14 0.00 0.00 41.12 37.16 2cqp n ASP 989 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 2cqp s ARG 990 N -6.67 4.44 -0.84 0.11 0.52 -1.22 -4.72 118.95 110.57 2cqp s ARG 990 Ca 0.48 0.95 -0.25 0.00 -0.52 0.00 0.00 55.73 56.40 2cqp s ARG 990 Cb -0.25 -3.37 -0.04 0.00 0.52 0.00 0.00 34.95 31.81 2cqp s ARG 990 CO 0.88 0.27 1.93 -1.25 0.02 0.00 0.00 175.30 177.15 2cqp s PRO 991 N 0.03 2.57 -0.15 3.54 0.04 -1.26 -1.41 135.00 138.36 2cqp s PRO 991 Ca 0.36 -0.09 -0.20 0.00 0.04 0.00 0.00 61.00 61.12 2cqp s PRO 991 Cb -0.20 -4.91 -0.03 0.00 0.04 0.00 0.00 34.50 29.40 2cqp s PRO 991 CO 0.21 -3.23 0.58 0.42 0.04 0.00 0.00 177.00 175.01 2cqp s ILE 992 N 9.84 5.09 0.00 0.56 1.01 0.29 -4.80 121.20 133.19 2cqp s ILE 992 Ca 0.69 1.12 0.00 0.00 0.00 0.00 0.00 60.65 62.46 2cqp s ILE 992 Cb -0.08 -3.90 0.00 0.00 0.01 0.00 0.00 42.46 38.49 2cqp s ILE 992 CO 0.04 0.21 0.00 0.61 0.00 0.00 0.00 174.94 175.80 2cqp n GLY 993 N 3.53 0.19 0.00 6.18 0.00 -1.26 -0.40 105.19 113.43 2cqp n GLY 993 Ca -0.04 0.68 0.00 0.00 0.00 0.00 0.00 46.02 46.66 2cqp n GLY 993 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2cqp n SER 994 N 3.16 0.29 -4.23 1.61 7.64 -1.26 -5.09 113.62 115.75 2cqp n SER 994 Ca 0.00 -0.93 -0.13 0.00 1.01 0.00 0.00 58.87 58.82 2cqp n SER 994 Cb 0.00 0.03 -0.10 0.00 -1.01 0.00 0.00 64.21 63.13 2cqp n SER 994 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2cqp s ARG 995 N -0.03 1.03 0.12 1.43 0.52 0.47 -5.12 118.95 117.37 2cqp s ARG 995 Ca 0.00 -1.46 -0.14 0.00 -0.52 0.00 0.00 55.73 53.60 2cqp s ARG 995 Cb 0.00 -0.36 -0.07 0.00 0.52 0.00 0.00 34.95 35.04 2cqp s ARG 995 CO 0.00 -0.04 0.52 0.15 0.02 0.00 0.00 175.30 175.95 2cqp s LYS 996 N -3.84 3.97 0.10 3.54 1.02 -1.26 0.11 119.74 123.37 2cqp s LYS 996 Ca 0.19 0.47 0.03 0.00 0.02 0.00 0.00 55.97 56.68 2cqp s LYS 996 Cb 0.05 -3.00 -0.04 0.00 -0.52 0.00 0.00 37.83 34.32 2cqp s LYS 996 CO 0.01 0.52 0.10 0.14 -0.92 0.00 0.00 175.35 175.21 2cqp s VAL 997 N -1.39 4.60 -0.14 3.17 -7.23 -0.50 -4.52 120.40 114.39 2cqp s VAL 997 Ca 0.35 -0.80 0.00 0.00 -1.81 0.00 0.00 61.98 59.72 2cqp s VAL 997 Cb -0.15 -3.25 -0.01 0.00 0.56 0.00 0.00 36.38 33.53 2cqp s VAL 997 CO 0.19 0.08 -0.14 -0.75 -0.31 0.00 0.00 175.10 174.16 2cqp s LYS 998 N -2.56 3.28 -0.11 4.82 2.36 0.92 -2.36 119.74 126.08 2cqp s LYS 998 Ca 0.30 -0.73 -0.01 0.00 -2.55 0.00 0.00 55.97 52.99 2cqp s LYS 998 Cb -0.12 -2.62 -0.03 0.00 -1.05 0.00 0.00 37.83 34.01 2cqp s LYS 998 CO 0.23 0.10 -0.08 -0.51 1.55 0.00 0.00 175.35 176.64 2cqp s LEU 999 N 0.63 3.07 0.01 5.43 1.43 -1.26 -1.11 118.68 126.87 2cqp s LEU 999 Ca -0.08 -0.14 0.06 0.00 -1.03 0.00 0.00 54.13 52.94 2cqp s LEU 999 Cb -0.16 -1.70 -0.02 0.00 0.03 0.00 0.00 46.19 44.35 2cqp s LEU 999 CO 0.03 0.24 -0.18 -0.69 0.23 0.00 0.00 176.35 175.98 2cqp s VAL 1000N -0.10 1.43 0.15 -1.59 1.01 -0.66 -4.97 120.40 115.67 2cqp s VAL 1000Ca 0.01 -0.88 -0.29 0.00 0.00 0.00 0.00 61.98 60.82 2cqp s VAL 1000Cb -0.13 -1.21 -0.07 0.00 0.00 0.00 0.00 36.38 34.97 2cqp s VAL 1000CO 0.03 0.31 0.90 -0.76 0.00 0.00 0.00 175.10 175.58 2cqp s LEU 1001N -0.67 4.55 1.03 3.92 1.43 -1.26 -2.02 118.68 125.67 2cqp s LEU 1001Ca 0.06 1.78 -0.18 0.00 -1.03 0.00 0.00 54.13 54.76 2cqp s LEU 1001Cb -0.07 -3.51 -0.00 0.00 0.03 0.00 0.00 46.19 42.63 2cqp s LEU 1001CO 0.00 0.05 -0.24 0.61 0.23 0.00 0.00 176.35 177.01 2cqp n GLY 1002N 1.94 -2.76 2.38 -3.19 0.00 0.11 -4.78 105.19 98.88 2cqp n GLY 1002Ca -0.01 -0.67 -0.29 0.00 0.00 0.00 0.00 46.02 45.05 2cqp n GLY 1002CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2cqp n SER 1003N 0.05 -2.65 -0.29 1.61 3.41 -1.26 -4.96 113.62 109.53 2cqp n SER 1003Ca 0.02 0.49 0.00 0.00 -0.26 0.00 0.00 58.87 59.11 2cqp n SER 1003Cb 0.61 -0.62 0.00 0.00 -0.26 0.00 0.00 64.21 63.93 2cqp n SER 1003CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cqp n GLY 1004N 1.83 4.15 0.09 5.00 0.00 -1.26 -4.76 105.19 110.23 2cqp n GLY 1004Ca 0.06 -1.27 -0.13 0.00 0.00 0.00 0.00 46.02 44.68 2cqp n GLY 1004CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cqp h PRO 1005N 0.00 0.15 -4.04 1.61 0.13 -2.02 -3.48 132.00 124.34 2cqp h PRO 1005Ca 0.00 -0.08 -0.14 0.00 -0.87 0.00 0.00 66.00 64.91 2cqp h PRO 1005Cb 0.00 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 30.95 2cqp h PRO 1005CO 0.00 0.59 -0.66 -1.12 -0.23 0.00 0.00 178.00 176.58 2cqp s SER 1006N -5.87 0.32 0.31 1.44 0.01 -1.26 -5.12 113.70 103.52 2cqp s SER 1006Ca -0.15 -0.69 -0.29 0.00 1.31 0.00 0.00 55.95 56.13 2cqp s SER 1006Cb 0.03 0.16 -0.10 0.00 0.21 0.00 0.00 66.02 66.32 2cqp s SER 1006CO 0.71 -0.45 1.30 -0.94 0.41 0.00 0.00 173.24 174.27 2cqp s SER 1007N -2.11 6.81 0.00 2.44 1.04 -1.26 -5.20 113.70 115.42 2cqp s SER 1007Ca -0.06 2.64 0.00 0.00 0.48 0.00 0.00 55.95 59.01 2cqp s SER 1007Cb -0.02 -2.64 0.00 0.00 0.10 0.00 0.00 66.02 63.46 2cqp s SER 1007CO -0.05 -0.52 0.00 0.61 0.98 0.00 0.00 173.24 174.27