#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 4.87 0.24 1.61 1.04 -1.26 -5.00 113.70 115.20 2cqp s SER 912 Ca 0.00 -0.44 -0.11 0.00 0.48 0.00 0.00 55.95 55.88 2cqp s SER 912 Cb 0.00 -1.85 0.33 0.00 0.10 0.00 0.00 66.02 64.60 2cqp s SER 912 CO 0.00 -0.08 1.60 -1.28 0.98 0.00 0.00 173.24 174.46 2cqp h SER 913 N 8.20 -0.68 -6.08 7.02 0.87 -2.10 -3.46 113.55 117.32 2cqp h SER 913 Ca -0.37 0.23 -0.36 0.00 -1.23 0.00 0.00 61.79 60.06 2cqp h SER 913 Cb 1.15 0.47 0.08 0.00 -0.44 0.00 0.00 62.40 63.66 2cqp h SER 913 CO 0.59 -0.25 -0.83 0.61 -0.53 0.00 0.00 176.83 176.43 2cqp n GLY 914 N -1.50 -1.08 3.50 5.77 0.00 -1.26 -5.00 105.19 105.62 2cqp n GLY 914 Ca 0.11 0.49 -0.25 0.00 0.00 0.00 0.00 46.02 46.37 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 -3.35 3.82 -0.28 1.61 0.15 -1.26 -5.14 113.70 109.25 2cqp s SER 915 Ca 0.37 -0.84 -0.16 0.00 0.70 0.00 0.00 55.95 56.02 2cqp s SER 915 Cb -0.12 -0.45 0.10 0.00 -1.71 0.00 0.00 66.02 63.84 2cqp s SER 915 CO 0.84 0.07 0.75 -0.94 1.20 0.00 0.00 173.24 175.15 2cqp s SER 916 N -3.17 -0.87 -0.08 5.45 1.04 -1.26 -5.16 113.70 109.65 2cqp s SER 916 Ca 0.27 1.37 0.01 0.00 0.48 0.00 0.00 55.95 58.08 2cqp s SER 916 Cb -0.07 1.43 0.02 0.00 0.10 0.00 0.00 66.02 67.50 2cqp s SER 916 CO 0.14 -0.21 -0.08 -0.83 0.98 0.00 0.00 173.24 173.24 2cqp s GLY 917 N 1.69 0.72 -0.10 7.32 0.00 -1.26 -5.05 107.32 110.64 2cqp s GLY 917 Ca -0.09 -0.38 -0.02 0.00 0.00 0.00 0.00 44.72 44.23 2cqp s GLY 917 CO -0.19 0.49 -0.03 0.00 0.00 0.00 0.00 173.10 173.37 2cqp h ALA 918 N 7.52 0.00 -2.97 3.20 0.00 -2.07 -3.46 119.26 121.48 2cqp h ALA 918 Ca -0.31 -0.09 -0.65 0.00 0.00 0.00 0.00 54.91 53.86 2cqp h ALA 918 Cb 1.16 0.08 -0.11 0.00 0.00 0.00 0.00 17.79 18.92 2cqp h ALA 918 CO 0.44 0.08 -0.52 0.45 0.00 0.00 0.00 179.25 179.70 2cqp s SER 919 N -5.50 6.04 0.42 0.00 0.15 -1.26 -5.06 113.70 108.49 2cqp s SER 919 Ca -0.02 0.31 -0.24 0.00 0.70 0.00 0.00 55.95 56.70 2cqp s SER 919 Cb 0.00 -1.96 -0.11 0.00 -1.71 0.00 0.00 66.02 62.24 2cqp s SER 919 CO 0.04 0.33 0.84 -0.24 1.20 0.00 0.00 173.24 175.40 2cqp n SER 920 N 2.53 0.45 -4.30 5.45 2.88 -1.26 -5.00 113.62 114.37 2cqp n SER 920 Ca -0.18 0.99 -0.23 0.00 -1.33 0.00 0.00 58.87 58.11 2cqp n SER 920 Cb 0.54 -1.26 -0.09 0.00 -0.75 0.00 0.00 64.21 62.64 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 -0.83 2.32 0.04 0.46 0.00 -1.26 -5.16 107.32 102.88 2cqp s GLY 921 Ca 0.64 -1.62 0.09 0.00 0.00 0.00 0.00 44.72 43.83 2cqp s GLY 921 CO 0.57 -1.82 -0.26 0.54 0.00 0.00 0.00 173.10 172.13 2cqp s LYS 922 N -3.82 1.82 0.08 2.90 3.01 -1.26 -5.11 119.74 117.36 2cqp s LYS 922 Ca 0.30 -1.08 -0.31 0.00 -1.01 0.00 0.00 55.97 53.87 2cqp s LYS 922 Cb 0.06 -1.96 -0.07 0.00 -1.01 0.00 0.00 37.83 34.85 2cqp s LYS 922 CO 0.14 0.51 1.38 -1.25 0.51 0.00 0.00 175.35 176.65 2cqp s PRO 923 N -1.15 4.32 0.00 -1.68 0.04 -1.26 -4.98 135.00 130.29 2cqp s PRO 923 Ca 0.11 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.18 2cqp s PRO 923 Cb -0.10 -3.35 0.00 0.00 0.04 0.00 0.00 34.50 31.09 2cqp s PRO 923 CO 0.02 -0.46 0.00 0.41 0.04 0.00 0.00 177.00 177.00 2cqp n GLY 924 N 3.52 4.46 3.62 0.56 0.00 -1.26 -5.16 105.19 110.93 2cqp n GLY 924 Ca 0.12 -1.60 -0.30 0.00 0.00 0.00 0.00 46.02 44.24 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 -0.99 -0.74 -0.26 1.61 0.04 -1.26 -4.91 135.00 128.48 2cqp s PRO 925 Ca 0.00 0.11 -0.15 0.00 0.04 0.00 0.00 61.00 61.01 2cqp s PRO 925 Cb 0.00 -1.64 -0.04 0.00 0.04 0.00 0.00 34.50 32.86 2cqp s PRO 925 CO 0.00 -3.43 0.35 0.99 0.04 0.00 0.00 177.00 174.95 2cqp s THR 926 N -2.99 5.20 -0.26 1.26 2.01 -0.27 -4.86 115.64 115.72 2cqp s THR 926 Ca 0.69 0.54 -0.11 0.00 0.31 0.00 0.00 61.69 63.13 2cqp s THR 926 Cb -0.13 -3.68 -0.05 0.00 0.01 0.00 0.00 72.50 68.65 2cqp s THR 926 CO 0.57 0.19 0.17 -0.63 -0.69 0.00 0.00 174.62 174.22 2cqp s ILE 927 N 1.89 5.27 -0.07 1.82 -1.09 -1.26 -0.24 121.20 127.53 2cqp s ILE 927 Ca 0.15 0.15 -0.02 0.00 -2.23 0.00 0.00 60.65 58.70 2cqp s ILE 927 Cb -0.16 -3.48 -0.04 0.00 -1.58 0.00 0.00 42.46 37.20 2cqp s ILE 927 CO 0.09 0.30 0.05 -0.63 -1.23 0.00 0.00 174.94 173.52 2cqp s ILE 928 N 1.43 4.64 -0.16 2.92 1.01 0.21 -0.80 121.20 130.45 2cqp s ILE 928 Ca 0.07 -0.22 -0.03 0.00 0.00 0.00 0.00 60.65 60.47 2cqp s ILE 928 Cb -0.15 -3.01 -0.02 0.00 0.01 0.00 0.00 42.46 39.28 2cqp s ILE 928 CO 0.08 0.53 -0.06 -0.75 0.00 0.00 0.00 174.94 174.74 2cqp s LYS 929 N -1.16 3.58 -0.17 2.79 2.20 -0.57 -1.50 119.74 124.91 2cqp s LYS 929 Ca 0.16 -0.57 -0.05 0.00 -0.36 0.00 0.00 55.97 55.15 2cqp s LYS 929 Cb -0.12 -2.87 -0.03 0.00 -1.51 0.00 0.00 37.83 33.30 2cqp s LYS 929 CO 0.06 0.18 0.01 0.08 -0.36 0.00 0.00 175.35 175.32 2cqp s VAL 930 N 0.51 4.31 0.31 4.02 1.01 0.84 -1.92 120.40 129.47 2cqp s VAL 930 Ca -0.04 -0.21 0.03 0.00 0.00 0.00 0.00 61.98 61.75 2cqp s VAL 930 Cb -0.15 -2.91 -0.05 0.00 0.00 0.00 0.00 36.38 33.27 2cqp s VAL 930 CO 0.03 0.48 0.10 -1.58 0.00 0.00 0.00 175.10 174.13 2cqp s GLN 931 N 0.33 1.58 -1.00 2.72 0.74 -0.14 -1.96 119.66 121.93 2cqp s GLN 931 Ca -0.01 -1.89 -0.01 0.00 0.05 0.00 0.00 55.36 53.50 2cqp s GLN 931 Cb -0.13 -0.48 -0.02 0.00 1.10 0.00 0.00 33.01 33.48 2cqp s GLN 931 CO 0.02 -0.31 0.84 -1.71 -0.55 0.00 0.00 175.29 173.58 2cqp n ASN 932 N -0.71 -3.10 -4.41 6.67 4.05 -1.21 -0.42 115.26 116.14 2cqp n ASN 932 Ca -0.01 -0.55 -0.33 0.00 0.45 0.00 0.00 54.58 54.14 2cqp n ASN 932 Cb 0.66 -4.50 -0.14 0.00 1.23 0.00 0.00 39.78 37.03 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 -4.91 2.80 1.06 1.20 -1.94 -0.98 -3.67 119.30 112.87 2cqp s MET 933 Ca 0.11 -0.73 -0.14 0.00 -1.71 0.00 0.00 55.69 53.22 2cqp s MET 933 Cb -0.01 -2.42 0.22 0.00 2.01 0.00 0.00 34.83 34.62 2cqp s MET 933 CO 0.63 0.45 1.10 -1.25 -0.01 0.00 0.00 175.02 175.93 2cqp s PRO 934 N -0.28 -0.08 0.49 2.03 0.04 -1.26 -4.06 135.00 131.88 2cqp s PRO 934 Ca 0.02 0.35 0.28 0.00 0.04 0.00 0.00 61.00 61.68 2cqp s PRO 934 Cb -0.13 -1.69 0.85 0.00 0.04 0.00 0.00 34.50 33.57 2cqp s PRO 934 CO 0.03 -3.03 1.80 0.74 0.04 0.00 0.00 177.00 176.57 2cqp h PHE 935 N -2.11 0.00 0.00 0.56 0.04 -2.00 -2.90 116.94 110.53 2cqp h PHE 935 Ca -0.53 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.24 2cqp h PHE 935 Cb 1.33 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.48 2cqp h PHE 935 CO -0.31 0.03 0.00 1.79 -0.60 0.00 0.00 178.31 179.22 2cqp h THR 936 N 0.00 0.00 -3.99 -1.55 1.35 -2.01 -3.45 112.91 103.27 2cqp h THR 936 Ca -0.00 -0.34 -0.56 0.00 -0.55 0.00 0.00 66.41 64.96 2cqp h THR 936 Cb 0.77 1.17 0.15 0.00 -1.73 0.00 0.00 68.15 68.51 2cqp h THR 936 CO 0.00 0.00 0.51 0.52 -0.25 0.00 0.00 175.52 176.31 2cqp n VAL 937 N -2.40 4.22 -3.96 6.82 0.31 -1.10 -5.01 118.33 117.22 2cqp n VAL 937 Ca 0.03 -0.50 -0.09 0.00 -0.01 0.00 0.00 64.34 63.77 2cqp n VAL 937 Cb 0.29 -1.54 -0.04 0.00 -0.91 0.00 0.00 33.84 31.64 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 -1.11 -0.04 0.24 4.52 0.01 -1.26 -5.02 113.70 111.03 2cqp s SER 938 Ca 0.76 -0.91 -0.06 0.00 1.31 0.00 0.00 55.95 57.04 2cqp s SER 938 Cb -0.41 0.65 0.31 0.00 0.21 0.00 0.00 66.02 66.78 2cqp s SER 938 CO 0.46 -1.25 1.85 0.40 0.41 0.00 0.00 173.24 175.11 2cqp h ILE 939 N 2.16 1.05 -0.39 1.44 2.04 -1.99 0.91 117.51 122.73 2cqp h ILE 939 Ca -0.25 -0.33 -0.02 0.00 1.00 0.00 0.00 64.86 65.26 2cqp h ILE 939 Cb 1.25 0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.33 2cqp h ILE 939 CO 0.33 0.17 0.16 0.44 0.00 0.00 0.00 178.15 179.25 2cqp h ASP 940 N 0.95 0.54 -0.56 1.72 3.32 -1.99 -0.13 116.42 120.27 2cqp h ASP 940 Ca 0.36 -0.16 -0.07 0.00 0.02 0.00 0.00 57.03 57.18 2cqp h ASP 940 Cb 0.14 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 2cqp h ASP 940 CO -0.16 0.55 0.08 -0.33 -1.72 0.00 0.00 179.24 177.66 2cqp h GLU 941 N 0.49 0.94 -0.04 3.56 4.39 -1.81 -1.82 114.58 120.29 2cqp h GLU 941 Ca 0.13 -0.26 -0.00 0.00 0.34 0.00 0.00 59.36 59.57 2cqp h GLU 941 Cb 0.18 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 28.72 2cqp h GLU 941 CO -0.01 0.90 0.01 0.82 -1.16 0.00 0.00 179.01 179.57 2cqp h ILE 942 N 0.83 1.17 -0.83 3.13 2.04 -0.66 0.13 117.51 123.31 2cqp h ILE 942 Ca 0.17 -0.50 0.05 0.00 1.00 0.00 0.00 64.86 65.57 2cqp h ILE 942 Cb 0.42 1.44 -0.06 0.00 -0.74 0.00 0.00 36.82 37.89 2cqp h ILE 942 CO 0.01 0.14 0.52 -0.07 0.00 0.00 0.00 178.15 178.75 2cqp h LEU 943 N -0.14 0.84 -0.73 1.44 3.38 -0.97 -1.40 115.31 117.72 2cqp h LEU 943 Ca 0.01 0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.85 2cqp h LEU 943 Cb 0.21 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 2cqp h LEU 943 CO -0.00 0.56 -0.60 -0.78 0.09 0.00 0.00 178.44 177.70 2cqp h ASP 944 N 0.98 0.12 -0.28 -0.43 1.82 -1.20 -3.03 116.42 114.40 2cqp h ASP 944 Ca 0.35 -0.07 -0.08 0.00 -0.39 0.00 0.00 57.03 56.84 2cqp h ASP 944 Cb 0.10 -0.03 -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 0.00 179.24 178.24 2cqp h PHE 945 N 0.08 0.74 -0.32 0.28 3.04 0.28 -2.04 116.94 119.00 2cqp h PHE 945 Ca -0.01 -0.12 0.00 0.00 3.98 0.00 0.00 57.97 61.82 2cqp h PHE 945 Cb 1.08 -0.20 0.00 0.00 2.56 0.00 0.00 35.95 39.40 2cqp h PHE 945 CO 0.01 0.75 0.00 1.19 -2.02 0.00 0.00 178.31 178.24 2cqp n PHE 946 N -4.19 0.43 -1.19 0.41 3.72 -0.68 -4.96 117.46 110.99 2cqp n PHE 946 Ca 0.01 -0.21 -0.37 0.00 -0.05 0.00 0.00 57.45 56.83 2cqp n PHE 946 Cb 0.33 -0.00 0.04 0.00 -0.94 0.00 0.00 39.48 38.91 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 0.42 -2.65 0.00 1.38 9.36 -0.77 -2.25 117.16 122.66 2cqp n TYR 947 Ca 0.11 0.30 0.00 0.00 3.32 0.00 0.00 57.90 61.63 2cqp n TYR 947 Cb 0.27 -1.71 0.00 0.00 -0.63 0.00 0.00 39.34 37.27 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 2.41 2.14 3.88 2.98 0.00 -1.26 -4.99 105.19 110.35 2cqp n GLY 948 Ca 0.06 -0.45 -0.32 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.40 3.46 -0.93 1.61 2.02 -0.95 -5.02 117.35 117.13 2cqp s TYR 949 Ca 0.00 0.75 -0.21 0.00 -0.37 0.00 0.00 57.07 57.24 2cqp s TYR 949 Cb 0.00 -2.16 0.09 0.00 -0.40 0.00 0.00 41.96 39.49 2cqp s TYR 949 CO 0.00 0.36 1.23 -0.65 -1.57 0.00 0.00 175.55 174.91 2cqp s GLN 950 N -2.65 3.53 -0.02 -0.62 -0.21 -1.26 -5.00 119.66 113.44 2cqp s GLN 950 Ca 0.43 -1.39 -0.30 0.00 0.02 0.00 0.00 55.36 54.13 2cqp s GLN 950 Cb -0.12 -4.97 -0.03 0.00 1.00 0.00 0.00 33.01 28.89 2cqp s GLN 950 CO 0.22 -1.94 0.97 0.08 -2.12 0.00 0.00 175.29 172.50 2cqp s VAL 951 N 3.72 4.87 0.30 1.09 1.01 -1.26 -4.71 120.40 125.42 2cqp s VAL 951 Ca 0.36 2.02 -0.30 0.00 0.00 0.00 0.00 61.98 64.07 2cqp s VAL 951 Cb -0.04 -4.30 -0.12 0.00 0.00 0.00 0.00 36.38 31.91 2cqp s VAL 951 CO -0.07 0.15 1.50 -0.38 0.00 0.00 0.00 175.10 176.29 2cqp n ILE 952 N 3.97 1.27 -2.26 2.22 5.41 -1.17 -4.95 119.36 123.86 2cqp n ILE 952 Ca 0.06 -0.32 -0.36 0.00 1.00 0.00 0.00 62.75 63.13 2cqp n ILE 952 Cb 0.51 -1.80 -0.00 0.00 -0.71 0.00 0.00 39.64 37.64 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 -0.89 3.58 -0.60 0.38 0.04 -1.26 -2.96 135.00 133.31 2cqp s PRO 953 Ca 0.62 1.70 0.00 0.00 0.04 0.00 0.00 61.00 63.37 2cqp s PRO 953 Cb -0.54 -2.23 0.00 0.00 0.04 0.00 0.00 34.50 31.77 2cqp s PRO 953 CO 0.53 -0.68 0.00 0.41 0.04 0.00 0.00 177.00 177.30 2cqp n GLY 954 N 0.32 0.62 0.11 0.56 0.00 -1.26 -4.83 105.19 100.71 2cqp n GLY 954 Ca 0.09 -0.06 -0.23 0.00 0.00 0.00 0.00 46.02 45.82 2cqp n GLY 954 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2cqp n SER 955 N -0.81 1.90 -4.47 1.61 7.64 -1.15 -4.87 113.62 113.46 2cqp n SER 955 Ca -0.06 0.40 -0.44 0.00 1.01 0.00 0.00 58.87 59.79 2cqp n SER 955 Cb 0.46 -0.89 -0.10 0.00 -1.01 0.00 0.00 64.21 62.67 2cqp n SER 955 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 2cqp n VAL 956 N -4.38 0.01 -5.07 0.44 0.31 -1.25 -4.57 118.33 103.83 2cqp n VAL 956 Ca -0.38 -0.24 -0.32 0.00 -0.01 0.00 0.00 64.34 63.39 2cqp n VAL 956 Cb 0.72 -1.28 -0.15 0.00 -0.91 0.00 0.00 33.84 32.21 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 -0.08 4.39 -0.04 0.00 1.43 -1.26 -0.61 118.68 122.51 2cqp s LEU 958 Ca -0.05 0.60 -0.16 0.00 -1.03 0.00 0.00 54.13 53.49 2cqp s LEU 958 Cb -0.14 -2.24 -0.05 0.00 0.03 0.00 0.00 46.19 43.79 2cqp s LEU 958 CO 0.04 0.35 0.45 -0.75 0.23 0.00 0.00 176.35 176.67 2cqp s LYS 959 N -0.86 4.12 0.32 1.70 2.47 -0.57 -5.00 119.74 121.92 2cqp s LYS 959 Ca 0.17 0.45 0.06 0.00 -1.56 0.00 0.00 55.97 55.09 2cqp s LYS 959 Cb -0.13 -3.31 -0.06 0.00 -1.46 0.00 0.00 37.83 32.86 2cqp s LYS 959 CO 0.06 0.47 -0.02 0.71 0.16 0.00 0.00 175.35 176.73 2cqp s TYR 960 N -0.38 2.10 0.36 4.03 2.02 -1.26 -2.24 117.35 121.98 2cqp s TYR 960 Ca 0.25 -0.73 0.06 0.00 -0.37 0.00 0.00 57.07 56.28 2cqp s TYR 960 Cb -0.16 -1.29 0.06 0.00 -0.40 0.00 0.00 41.96 40.17 2cqp s TYR 960 CO 0.12 0.28 0.50 0.27 -1.57 0.00 0.00 175.55 175.15 2cqp n ASN 961 N -0.69 1.35 0.00 2.29 0.23 -0.53 -4.84 115.26 113.07 2cqp n ASN 961 Ca -0.05 -1.97 0.04 0.00 -0.53 0.00 0.00 54.58 52.07 2cqp n ASN 961 Cb 0.65 -0.26 0.20 0.00 -2.08 0.00 0.00 39.78 38.28 2cqp n ASN 961 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 2cqp n GLU 962 N -1.79 0.03 -0.07 -3.83 0.28 -1.26 -1.73 120.64 112.28 2cqp n GLU 962 Ca 0.10 0.31 -0.06 0.00 -0.16 0.00 0.00 57.16 57.35 2cqp n GLU 962 Cb 0.38 -1.50 -0.15 0.00 1.43 0.00 0.00 31.44 31.59 2cqp n GLU 962 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 2cqp n LYS 963 N -1.44 0.67 0.00 3.44 4.01 -1.26 -5.00 118.16 118.59 2cqp n LYS 963 Ca 0.03 0.01 0.00 0.00 -0.51 0.00 0.00 58.31 57.84 2cqp n LYS 963 Cb 0.09 -1.57 0.00 0.00 -0.51 0.00 0.00 35.03 33.04 2cqp n LYS 963 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2cqp n GLY 964 N 1.63 0.88 3.84 0.72 0.00 -0.71 -5.11 105.19 106.46 2cqp n GLY 964 Ca -0.25 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.35 4.04 0.07 1.61 -1.94 -1.26 -4.69 119.30 116.77 2cqp s MET 965 Ca 0.00 0.74 -0.31 0.00 -1.71 0.00 0.00 55.69 54.42 2cqp s MET 965 Cb 0.00 -2.38 -0.07 0.00 2.01 0.00 0.00 34.83 34.39 2cqp s MET 965 CO 0.00 0.12 1.39 -1.25 -0.01 0.00 0.00 175.02 175.27 2cqp s PRO 966 N -3.04 4.31 -0.15 2.03 0.04 -1.26 -1.45 135.00 135.47 2cqp s PRO 966 Ca 0.55 2.03 0.05 0.00 0.04 0.00 0.00 61.00 63.67 2cqp s PRO 966 Cb -0.10 -3.37 0.36 0.00 0.04 0.00 0.00 34.50 31.42 2cqp s PRO 966 CO 0.17 -0.48 1.24 0.25 0.04 0.00 0.00 177.00 178.22 2cqp n THR 967 N 4.21 1.62 -3.49 1.26 -2.24 -0.95 -4.86 114.28 109.83 2cqp n THR 967 Ca 0.12 -0.76 -0.25 0.00 -2.27 0.00 0.00 64.05 60.89 2cqp n THR 967 Cb 0.43 -0.55 0.05 0.00 -2.10 0.00 0.00 70.33 68.16 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 0.05 -0.53 2.98 3.38 0.00 -1.26 -4.82 105.19 105.00 2cqp n GLY 968 Ca 0.20 0.20 -0.13 0.00 0.00 0.00 0.00 46.02 46.29 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 -6.20 0.36 0.00 1.61 2.02 -1.26 -2.31 118.70 112.93 2cqp s GLU 969 Ca 0.52 -0.44 -0.15 0.00 0.02 0.00 0.00 54.97 54.92 2cqp s GLU 969 Cb -0.24 -0.19 0.02 0.00 0.10 0.00 0.00 34.13 33.82 2cqp s GLU 969 CO 0.64 0.04 0.32 0.00 0.02 0.00 0.00 175.26 176.28 2cqp s ALA 970 N -0.81 -0.80 0.03 5.21 0.00 -0.83 -1.52 121.76 123.05 2cqp s ALA 970 Ca -0.06 0.27 0.08 0.00 0.00 0.00 0.00 51.96 52.25 2cqp s ALA 970 Cb -0.06 0.15 -0.02 0.00 0.00 0.00 0.00 23.12 23.18 2cqp s ALA 970 CO -0.00 -0.31 -0.24 -1.64 0.00 0.00 0.00 175.76 173.57 2cqp s MET 971 N -1.69 1.71 0.09 0.00 -1.94 0.22 -0.11 119.30 117.58 2cqp s MET 971 Ca -0.11 -0.97 0.00 0.00 -1.71 0.00 0.00 55.69 52.90 2cqp s MET 971 Cb -0.04 -1.79 -0.04 0.00 2.01 0.00 0.00 34.83 34.97 2cqp s MET 971 CO 0.02 0.47 -0.04 0.14 -0.01 0.00 0.00 175.02 175.61 2cqp s VAL 972 N -0.72 0.44 0.13 -6.03 -7.23 -0.56 -0.93 120.40 105.50 2cqp s VAL 972 Ca 0.10 -1.88 0.09 0.00 -1.81 0.00 0.00 61.98 58.47 2cqp s VAL 972 Cb -0.09 -1.68 -0.04 0.00 0.56 0.00 0.00 36.38 35.13 2cqp s VAL 972 CO 0.01 -0.86 -0.21 0.00 -0.31 0.00 0.00 175.10 173.72 2cqp s ALA 973 N -3.79 2.00 -0.01 1.32 0.00 -1.26 -0.62 121.76 119.40 2cqp s ALA 973 Ca 0.12 -1.37 0.02 0.00 0.00 0.00 0.00 51.96 50.73 2cqp s ALA 973 Cb 0.07 -0.26 -0.00 0.00 0.00 0.00 0.00 23.12 22.93 2cqp s ALA 973 CO -0.06 0.36 -0.08 -0.06 0.00 0.00 0.00 175.76 175.92 2cqp s PHE 974 N -1.42 0.73 0.19 0.00 0.40 0.67 -3.02 117.98 115.52 2cqp s PHE 974 Ca 0.11 -0.15 -0.01 0.00 -0.60 0.00 0.00 56.93 56.29 2cqp s PHE 974 Cb -0.09 -0.49 0.09 0.00 0.51 0.00 0.00 43.02 43.04 2cqp s PHE 974 CO 0.06 -0.03 1.45 0.93 0.70 0.00 0.00 175.22 178.33 2cqp h GLU 975 N 6.08 0.38 -5.31 0.44 5.08 -1.88 -0.71 114.58 118.67 2cqp h GLU 975 Ca -0.31 -0.30 -0.64 0.00 -1.00 0.00 0.00 59.36 57.10 2cqp h GLU 975 Cb 1.18 0.06 -0.24 0.00 0.50 0.00 0.00 28.75 30.25 2cqp h GLU 975 CO 0.50 0.94 -0.71 0.45 -1.00 0.00 0.00 179.01 179.19 2cqp s SER 976 N -6.96 4.47 0.14 1.42 0.15 -1.26 -4.80 113.70 106.87 2cqp s SER 976 Ca -0.05 -0.21 -0.15 0.00 0.70 0.00 0.00 55.95 56.23 2cqp s SER 976 Cb 0.11 -1.71 0.01 0.00 -1.71 0.00 0.00 66.02 62.72 2cqp s SER 976 CO 0.83 0.17 1.68 -0.09 1.20 0.00 0.00 173.24 177.03 2cqp h ARG 977 N 6.71 0.67 -0.80 5.44 2.43 -1.96 -2.32 114.38 124.55 2cqp h ARG 977 Ca -0.29 -0.13 0.07 0.00 -0.81 0.00 0.00 59.98 58.83 2cqp h ARG 977 Cb 1.20 -0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 30.59 2cqp h ARG 977 CO 0.60 0.63 0.53 -0.44 -1.51 0.00 0.00 179.97 179.77 2cqp h ASP 978 N 0.58 0.74 -0.08 -3.80 3.32 -1.99 -1.94 116.42 113.26 2cqp h ASP 978 Ca 0.15 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.19 2cqp h ASP 978 Cb 0.21 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.61 2cqp h ASP 978 CO -0.01 0.47 -0.02 -0.33 -1.72 0.00 0.00 179.24 177.63 2cqp h GLU 979 N 0.84 0.15 -0.38 3.56 3.07 -1.90 -1.74 114.58 118.18 2cqp h GLU 979 Ca 0.35 -0.06 0.07 0.00 -0.50 0.00 0.00 59.36 59.22 2cqp h GLU 979 Cb 0.29 -0.01 -0.06 0.00 -0.84 0.00 0.00 28.75 28.13 2cqp h GLU 979 CO -0.13 0.47 0.00 0.00 -1.40 0.00 0.00 179.01 177.96 2cqp h ALA 980 N 0.67 0.35 -0.55 3.43 0.00 -0.90 0.23 119.26 122.49 2cqp h ALA 980 Ca 0.02 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 2cqp h ALA 980 Cb 0.42 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 2cqp h ALA 980 CO 0.01 -0.39 0.25 1.15 0.00 0.00 0.00 179.25 180.27 2cqp h THR 981 N 0.11 1.21 -0.39 0.00 2.02 -1.37 -1.16 112.91 113.32 2cqp h THR 981 Ca 0.18 -0.59 -0.02 0.00 0.77 0.00 0.00 66.41 66.76 2cqp h THR 981 Cb 0.26 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 67.23 2cqp h THR 981 CO -0.31 0.23 0.18 0.00 0.37 0.00 0.00 175.52 175.99 2cqp h ALA 982 N 1.09 0.51 -0.37 6.16 0.00 -0.63 -0.80 119.26 125.22 2cqp h ALA 982 Ca 0.19 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2cqp h ALA 982 Cb 0.13 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2cqp h ALA 982 CO -0.02 0.09 0.21 0.00 0.00 0.00 0.00 179.25 179.52 2cqp h ALA 983 N 1.02 0.47 0.01 0.00 0.00 -0.39 0.13 119.26 120.50 2cqp h ALA 983 Ca 0.13 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 2cqp h ALA 983 Cb 0.15 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2cqp h ALA 983 CO -0.01 -0.00 -0.00 0.28 0.00 0.00 0.00 179.25 179.51 2cqp h VAL 984 N 0.47 1.06 -0.11 0.00 2.07 -1.07 0.63 116.25 119.30 2cqp h VAL 984 Ca 0.13 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 67.45 2cqp h VAL 984 Cb 0.05 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 2cqp h VAL 984 CO -0.02 0.05 0.06 0.40 0.02 0.00 0.00 177.57 178.08 2cqp h ILE 985 N -0.10 1.08 0.00 4.57 2.04 -1.04 1.90 117.51 125.96 2cqp h ILE 985 Ca -0.00 -0.22 -0.02 0.00 1.00 0.00 0.00 64.86 65.62 2cqp h ILE 985 Cb 0.10 1.03 -0.00 0.00 -0.74 0.00 0.00 36.82 37.20 2cqp h ILE 985 CO 0.00 0.07 -0.10 0.44 0.00 0.00 0.00 178.15 178.57 2cqp h ASP 986 N 0.09 0.00 -0.04 1.72 5.19 -0.68 -2.89 116.42 119.81 2cqp h ASP 986 Ca 0.04 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.43 2cqp h ASP 986 Cb 0.06 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.56 2cqp h ASP 986 CO -0.01 0.10 -0.29 0.18 -3.12 0.00 0.00 179.24 176.10 2cqp n LEU 987 N -3.25 2.75 -4.63 1.55 4.77 0.22 -4.99 117.00 113.41 2cqp n LEU 987 Ca 0.00 -3.61 -0.41 0.00 -0.03 0.00 0.00 56.01 51.96 2cqp n LEU 987 Cb 0.35 -0.51 -0.06 0.00 -2.33 0.00 0.00 43.42 40.87 2cqp n LEU 987 CO 0.30 1.16 0.42 0.21 -1.33 0.00 0.00 177.39 178.14 2cqp s ASN 988 N -3.03 6.63 -0.49 -1.43 3.84 0.64 -3.93 114.94 117.17 2cqp s ASN 988 Ca 0.37 0.77 -0.03 0.00 0.21 0.00 0.00 52.86 54.18 2cqp s ASN 988 Cb 0.34 -2.35 0.00 0.00 -0.55 0.00 0.00 41.25 38.70 2cqp s ASN 988 CO -0.03 -0.37 0.35 -0.67 -2.79 0.00 0.00 177.10 173.60 2cqp n ASP 989 N 5.61 -3.40 -4.71 -4.21 2.03 -0.94 -5.00 116.55 105.92 2cqp n ASP 989 Ca -0.00 -0.16 -0.41 0.00 0.52 0.00 0.00 54.79 54.74 2cqp n ASP 989 Cb 0.49 -2.06 -0.04 0.00 -0.72 0.00 0.00 41.12 38.79 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 -5.30 4.47 -0.97 -0.67 1.81 -1.22 -4.74 118.95 112.33 2cqp s ARG 990 Ca 0.17 1.06 -0.24 0.00 -1.72 0.00 0.00 55.73 55.00 2cqp s ARG 990 Cb -0.08 -3.46 -0.06 0.00 -0.45 0.00 0.00 34.95 30.91 2cqp s ARG 990 CO 0.22 0.01 1.94 -1.25 -0.68 0.00 0.00 175.30 175.54 2cqp s PRO 991 N 0.93 2.54 -0.05 3.54 0.04 -1.26 -1.69 135.00 139.04 2cqp s PRO 991 Ca 0.42 -0.51 -0.26 0.00 0.04 0.00 0.00 61.00 60.69 2cqp s PRO 991 Cb -0.19 -5.11 -0.03 0.00 0.04 0.00 0.00 34.50 29.21 2cqp s PRO 991 CO 0.21 -3.53 0.82 0.42 0.04 0.00 0.00 177.00 174.95 2cqp s ILE 992 N 10.32 4.96 0.00 0.56 1.01 0.24 -4.76 121.20 133.54 2cqp s ILE 992 Ca 0.70 1.69 0.00 0.00 0.00 0.00 0.00 60.65 63.04 2cqp s ILE 992 Cb -0.05 -4.15 0.00 0.00 0.01 0.00 0.00 42.46 38.27 2cqp s ILE 992 CO 0.03 0.19 0.00 0.61 0.00 0.00 0.00 174.94 175.77 2cqp n GLY 993 N 3.06 0.25 0.00 6.18 0.00 -1.26 -0.24 105.19 113.18 2cqp n GLY 993 Ca 0.02 0.62 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 -1.14 0.00 0.00 0.00 173.32 172.18 2cqp n SER 994 N 3.71 0.34 -4.31 1.61 3.41 -1.26 -5.08 113.62 112.04 2cqp n SER 994 Ca 0.00 -0.95 -0.16 0.00 -0.26 0.00 0.00 58.87 57.50 2cqp n SER 994 Cb 0.00 0.02 -0.10 0.00 -0.26 0.00 0.00 64.21 63.87 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 -0.02 1.26 0.05 4.33 0.52 0.66 -5.11 118.95 120.64 2cqp s ARG 995 Ca 0.00 -1.61 -0.11 0.00 -0.52 0.00 0.00 55.73 53.49 2cqp s ARG 995 Cb 0.00 -0.63 -0.06 0.00 0.52 0.00 0.00 34.95 34.79 2cqp s ARG 995 CO 0.00 -0.04 0.39 0.15 0.02 0.00 0.00 175.30 175.82 2cqp s LYS 996 N -3.83 3.78 0.10 3.54 1.02 -1.26 0.82 119.74 123.92 2cqp s LYS 996 Ca 0.25 0.21 0.05 0.00 0.02 0.00 0.00 55.97 56.50 2cqp s LYS 996 Cb 0.05 -3.05 -0.04 0.00 -0.52 0.00 0.00 37.83 34.26 2cqp s LYS 996 CO 0.06 0.60 0.04 0.14 -0.92 0.00 0.00 175.35 175.27 2cqp s VAL 997 N -1.32 4.21 -0.13 3.17 -7.23 -0.68 -4.47 120.40 113.95 2cqp s VAL 997 Ca 0.30 -0.97 0.02 0.00 -1.81 0.00 0.00 61.98 59.52 2cqp s VAL 997 Cb -0.14 -3.04 -0.00 0.00 0.56 0.00 0.00 36.38 33.75 2cqp s VAL 997 CO 0.17 0.07 -0.19 -0.75 -0.31 0.00 0.00 175.10 174.09 2cqp s LYS 998 N -2.50 3.16 -0.14 4.82 2.36 0.45 -2.22 119.74 125.67 2cqp s LYS 998 Ca 0.28 -0.80 -0.02 0.00 -2.55 0.00 0.00 55.97 52.88 2cqp s LYS 998 Cb -0.11 -2.49 -0.02 0.00 -1.05 0.00 0.00 37.83 34.15 2cqp s LYS 998 CO 0.20 0.10 -0.09 -0.51 1.55 0.00 0.00 175.35 176.61 2cqp s LEU 999 N 0.57 2.98 -0.02 5.43 1.43 -1.26 -0.97 118.68 126.83 2cqp s LEU 999 Ca -0.11 -0.22 0.03 0.00 -1.03 0.00 0.00 54.13 52.79 2cqp s LEU 999 Cb -0.16 -1.69 0.00 0.00 0.03 0.00 0.00 46.19 44.37 2cqp s LEU 999 CO 0.04 0.18 -0.10 -0.69 0.23 0.00 0.00 176.35 176.01 2cqp s VAL 1000N 0.30 0.81 0.70 -1.59 1.01 -0.81 -4.97 120.40 115.85 2cqp s VAL 1000Ca -0.07 -0.39 -0.14 0.00 0.00 0.00 0.00 61.98 61.38 2cqp s VAL 1000Cb -0.15 -0.71 0.02 0.00 0.00 0.00 0.00 36.38 35.54 2cqp s VAL 1000CO 0.04 0.25 1.12 -0.76 0.00 0.00 0.00 175.10 175.76 2cqp s LEU 1001N 0.11 3.29 -0.01 3.92 1.43 -1.26 -1.51 118.68 124.65 2cqp s LEU 1001Ca -0.02 2.04 -0.00 0.00 -1.03 0.00 0.00 54.13 55.12 2cqp s LEU 1001Cb -0.08 -4.55 0.01 0.00 0.03 0.00 0.00 46.19 41.60 2cqp s LEU 1001CO 0.00 -1.87 1.90 0.61 0.23 0.00 0.00 176.35 177.23 2cqp n GLY 1002N -0.46 2.50 3.89 -3.19 0.00 0.02 -4.80 105.19 103.15 2cqp n GLY 1002Ca 0.11 -0.03 -0.28 0.00 0.00 0.00 0.00 46.02 45.81 2cqp n GLY 1002CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2cqp n SER 1003N 1.36 -1.03 -0.20 1.61 2.88 -1.26 -4.40 113.62 112.58 2cqp n SER 1003Ca 0.01 -0.93 0.00 0.00 -1.33 0.00 0.00 58.87 56.62 2cqp n SER 1003Cb 0.50 -1.13 0.00 0.00 -0.75 0.00 0.00 64.21 62.83 2cqp n SER 1003CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cqp n GLY 1004N -1.96 -0.17 3.77 0.46 0.00 -1.26 -4.89 105.19 101.14 2cqp n GLY 1004Ca -0.16 -1.01 -0.34 0.00 0.00 0.00 0.00 46.02 44.51 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 0.00 3.07 0.75 1.61 0.04 -1.26 -4.88 135.00 134.33 2cqp s PRO 1005Ca 0.00 1.50 -0.10 0.00 0.04 0.00 0.00 61.00 62.44 2cqp s PRO 1005Cb 0.00 -1.98 0.06 0.00 0.04 0.00 0.00 34.50 32.62 2cqp s PRO 1005CO 0.00 -1.05 1.10 -1.12 0.04 0.00 0.00 177.00 175.97 2cqp s SER 1006N -2.19 4.81 0.08 6.66 0.01 -1.26 -4.78 113.70 117.02 2cqp s SER 1006Ca 0.70 0.73 -0.01 0.00 1.31 0.00 0.00 55.95 58.68 2cqp s SER 1006Cb -0.22 -1.35 -0.00 0.00 0.21 0.00 0.00 66.02 64.66 2cqp s SER 1006CO 0.34 -1.68 -0.02 -0.24 0.41 0.00 0.00 173.24 172.05 2cqp n SER 1007N -3.11 1.13 0.00 2.44 2.88 -1.26 -4.93 113.62 110.77 2cqp n SER 1007Ca 0.08 0.15 0.00 0.00 -1.33 0.00 0.00 58.87 57.76 2cqp n SER 1007Cb 0.60 -0.35 0.00 0.00 -0.75 0.00 0.00 64.21 63.71 2cqp n SER 1007CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42