#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 3.72 0.53 1.61 0.01 -1.26 -5.12 113.70 113.18 2cqp s SER 912 Ca 0.00 -0.45 -0.03 0.00 1.31 0.00 0.00 55.95 56.78 2cqp s SER 912 Cb 0.00 -1.57 0.00 0.00 0.21 0.00 0.00 66.02 64.66 2cqp s SER 912 CO 0.00 0.09 0.80 -0.44 0.41 0.00 0.00 173.24 174.10 2cqp s SER 913 N 0.79 5.72 0.00 2.44 0.01 -1.26 -5.07 113.70 116.33 2cqp s SER 913 Ca -0.05 0.53 0.00 0.00 1.31 0.00 0.00 55.95 57.74 2cqp s SER 913 Cb -0.15 -1.65 0.00 0.00 0.21 0.00 0.00 66.02 64.43 2cqp s SER 913 CO 0.00 -0.89 0.00 0.61 0.41 0.00 0.00 173.24 173.38 2cqp n GLY 914 N -2.35 -0.27 3.94 3.44 0.00 -1.26 -5.17 105.19 103.51 2cqp n GLY 914 Ca 0.03 0.70 -0.25 0.00 0.00 0.00 0.00 46.02 46.50 2cqp n GLY 914 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cqp s SER 915 N 0.00 6.33 -0.30 1.61 1.04 -1.26 -5.10 113.70 116.02 2cqp s SER 915 Ca 0.00 0.48 -0.13 0.00 0.48 0.00 0.00 55.95 56.78 2cqp s SER 915 Cb 0.00 -2.04 0.13 0.00 0.10 0.00 0.00 66.02 64.21 2cqp s SER 915 CO 0.00 -0.25 0.77 -0.94 0.98 0.00 0.00 173.24 173.80 2cqp s SER 916 N -3.81 -0.92 0.00 7.02 1.04 -1.26 -4.97 113.70 110.80 2cqp s SER 916 Ca 0.40 1.30 0.00 0.00 0.48 0.00 0.00 55.95 58.13 2cqp s SER 916 Cb -0.10 1.93 0.00 0.00 0.10 0.00 0.00 66.02 67.95 2cqp s SER 916 CO 0.34 -0.19 0.00 0.61 0.98 0.00 0.00 173.24 174.99 2cqp n GLY 917 N 5.05 2.09 1.94 7.32 0.00 -1.26 -4.67 105.19 115.66 2cqp n GLY 917 Ca -0.13 -0.32 -0.18 0.00 0.00 0.00 0.00 46.02 45.40 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 0.00 5.23 0.24 4.61 0.00 -1.26 -4.54 120.51 124.79 2cqp n ALA 918 Ca 0.00 -1.78 -0.14 0.00 0.00 0.00 0.00 53.44 51.52 2cqp n ALA 918 Cb 0.00 -1.43 -0.08 0.00 0.00 0.00 0.00 19.45 17.94 2cqp n ALA 918 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2cqp h SER 919 N 1.59 -0.51 -2.22 0.00 0.02 -1.93 -3.43 113.55 107.07 2cqp h SER 919 Ca 0.30 -0.09 -0.58 0.00 -0.84 0.00 0.00 61.79 60.58 2cqp h SER 919 Cb 0.90 0.13 0.04 0.00 0.14 0.00 0.00 62.40 63.61 2cqp h SER 919 CO 0.78 -0.19 1.01 -0.24 -1.14 0.00 0.00 176.83 177.04 2cqp n SER 920 N -5.26 3.49 -4.48 3.07 2.88 -1.26 -4.82 113.62 107.24 2cqp n SER 920 Ca -0.11 1.01 -0.27 0.00 -1.33 0.00 0.00 58.87 58.17 2cqp n SER 920 Cb 0.30 -1.43 0.14 0.00 -0.75 0.00 0.00 64.21 62.46 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 2.74 1.75 0.01 0.46 0.00 -1.26 -5.11 107.32 105.91 2cqp s GLY 921 Ca 0.86 -1.29 0.02 0.00 0.00 0.00 0.00 44.72 44.30 2cqp s GLY 921 CO 0.44 -0.66 -0.06 0.54 0.00 0.00 0.00 173.10 173.36 2cqp s LYS 922 N -5.53 0.44 -0.21 2.90 -0.14 -1.26 -5.12 119.74 110.83 2cqp s LYS 922 Ca 0.69 -0.30 -0.29 0.00 -1.36 0.00 0.00 55.97 54.70 2cqp s LYS 922 Cb -0.06 -0.38 -0.03 0.00 -1.68 0.00 0.00 37.83 35.68 2cqp s LYS 922 CO 0.49 0.10 1.60 -1.25 -0.76 0.00 0.00 175.35 175.53 2cqp s PRO 923 N -0.42 3.83 0.00 -1.68 0.04 -1.26 -4.82 135.00 130.69 2cqp s PRO 923 Ca -0.00 1.69 0.00 0.00 0.04 0.00 0.00 61.00 62.72 2cqp s PRO 923 Cb -0.04 -4.02 0.00 0.00 0.04 0.00 0.00 34.50 30.48 2cqp s PRO 923 CO -0.00 -1.25 0.00 0.41 0.04 0.00 0.00 177.00 176.20 2cqp n GLY 924 N 4.59 -0.37 3.66 0.56 0.00 -1.26 -5.15 105.19 107.22 2cqp n GLY 924 Ca 0.18 -1.02 -0.29 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.00 0.04 -0.06 1.61 0.04 -1.26 -5.02 135.00 128.34 2cqp s PRO 925 Ca 0.00 0.38 -0.17 0.00 0.04 0.00 0.00 61.00 61.25 2cqp s PRO 925 Cb 0.00 -1.70 -0.05 0.00 0.04 0.00 0.00 34.50 32.79 2cqp s PRO 925 CO 0.00 -2.96 0.47 0.99 0.04 0.00 0.00 177.00 175.53 2cqp s THR 926 N -2.97 5.09 -0.20 1.26 2.01 -0.04 -4.83 115.64 115.95 2cqp s THR 926 Ca 0.66 0.95 -0.09 0.00 0.31 0.00 0.00 61.69 63.52 2cqp s THR 926 Cb -0.17 -3.79 -0.04 0.00 0.01 0.00 0.00 72.50 68.50 2cqp s THR 926 CO 0.57 0.42 0.10 -0.63 -0.69 0.00 0.00 174.62 174.40 2cqp s ILE 927 N -0.05 5.08 -0.02 1.82 -1.09 -1.26 -0.25 121.20 125.42 2cqp s ILE 927 Ca 0.25 0.07 -0.00 0.00 -2.23 0.00 0.00 60.65 58.74 2cqp s ILE 927 Cb -0.16 -3.32 -0.04 0.00 -1.58 0.00 0.00 42.46 37.36 2cqp s ILE 927 CO 0.12 0.43 0.06 -0.63 -1.23 0.00 0.00 174.94 173.69 2cqp s ILE 928 N 0.56 4.62 -0.16 2.92 1.01 0.52 0.23 121.20 130.90 2cqp s ILE 928 Ca 0.06 -0.40 -0.02 0.00 0.00 0.00 0.00 60.65 60.28 2cqp s ILE 928 Cb -0.12 -3.08 -0.02 0.00 0.01 0.00 0.00 42.46 39.25 2cqp s ILE 928 CO 0.00 0.39 -0.07 -0.75 0.00 0.00 0.00 174.94 174.51 2cqp s LYS 929 N -1.59 3.51 -0.16 2.79 2.20 -0.75 -2.09 119.74 123.66 2cqp s LYS 929 Ca 0.21 -0.60 -0.02 0.00 -0.36 0.00 0.00 55.97 55.20 2cqp s LYS 929 Cb -0.12 -2.82 -0.02 0.00 -1.51 0.00 0.00 37.83 33.36 2cqp s LYS 929 CO 0.12 0.16 -0.07 0.08 -0.36 0.00 0.00 175.35 175.27 2cqp s VAL 930 N 0.54 3.46 0.14 4.02 1.01 0.98 -1.94 120.40 128.61 2cqp s VAL 930 Ca -0.05 -0.50 -0.00 0.00 0.00 0.00 0.00 61.98 61.42 2cqp s VAL 930 Cb -0.15 -2.51 -0.04 0.00 0.00 0.00 0.00 36.38 33.68 2cqp s VAL 930 CO 0.03 0.49 0.03 -1.58 0.00 0.00 0.00 175.10 174.08 2cqp s GLN 931 N 0.58 0.98 -0.49 2.72 2.00 -0.69 -1.91 119.66 122.85 2cqp s GLN 931 Ca -0.05 -1.46 -0.02 0.00 -2.00 0.00 0.00 55.36 51.83 2cqp s GLN 931 Cb -0.15 0.06 0.00 0.00 0.80 0.00 0.00 33.01 33.72 2cqp s GLN 931 CO 0.03 -0.21 0.42 -1.71 -0.50 0.00 0.00 175.29 173.32 2cqp n ASN 932 N -0.14 -2.83 -4.37 6.67 4.05 -1.23 -0.16 115.26 117.24 2cqp n ASN 932 Ca -0.06 -0.22 -0.33 0.00 0.45 0.00 0.00 54.58 54.42 2cqp n ASN 932 Cb 0.63 -2.25 -0.14 0.00 1.23 0.00 0.00 39.78 39.25 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 -5.00 3.05 1.04 1.20 -1.94 -1.06 -3.94 119.30 112.66 2cqp s MET 933 Ca 0.11 -0.73 -0.13 0.00 -1.71 0.00 0.00 55.69 53.23 2cqp s MET 933 Cb -0.05 -2.49 0.21 0.00 2.01 0.00 0.00 34.83 34.51 2cqp s MET 933 CO 0.28 0.33 1.09 -1.25 -0.01 0.00 0.00 175.02 175.46 2cqp s PRO 934 N 0.03 0.10 0.26 2.03 0.04 -1.26 -3.98 135.00 132.22 2cqp s PRO 934 Ca -0.05 0.41 0.00 0.00 0.04 0.00 0.00 61.00 61.40 2cqp s PRO 934 Cb -0.15 -1.71 0.35 0.00 0.04 0.00 0.00 34.50 33.03 2cqp s PRO 934 CO 0.04 -2.93 1.71 0.74 0.04 0.00 0.00 177.00 176.60 2cqp h PHE 935 N -2.03 0.67 -0.68 0.56 0.04 -1.99 -2.72 116.94 110.79 2cqp h PHE 935 Ca -0.54 -0.14 0.20 0.00 2.80 0.00 0.00 57.97 60.29 2cqp h PHE 935 Cb 1.33 -0.17 -0.03 0.00 2.20 0.00 0.00 35.95 39.28 2cqp h PHE 935 CO -0.03 0.76 0.49 1.79 -0.60 0.00 0.00 178.31 180.72 2cqp h THR 936 N 0.54 0.66 -2.64 -1.55 1.35 -2.00 -3.43 112.91 105.85 2cqp h THR 936 Ca 0.08 -0.00 -0.60 0.00 -0.55 0.00 0.00 66.41 65.35 2cqp h THR 936 Cb 0.64 0.66 0.13 0.00 -1.73 0.00 0.00 68.15 67.85 2cqp h THR 936 CO 0.05 0.00 -0.03 0.52 -0.25 0.00 0.00 175.52 175.81 2cqp n VAL 937 N -4.33 2.15 -4.07 6.82 0.31 -1.03 -5.00 118.33 113.18 2cqp n VAL 937 Ca 0.13 -0.50 -0.10 0.00 -0.01 0.00 0.00 64.34 63.86 2cqp n VAL 937 Cb 0.75 -0.90 -0.07 0.00 -0.91 0.00 0.00 33.84 32.71 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 -0.77 0.06 0.24 4.52 0.01 -1.26 -5.02 113.70 111.46 2cqp s SER 938 Ca 0.62 -1.11 -0.06 0.00 1.31 0.00 0.00 55.95 56.71 2cqp s SER 938 Cb -0.62 0.53 0.32 0.00 0.21 0.00 0.00 66.02 66.46 2cqp s SER 938 CO 0.58 -1.06 1.84 0.40 0.41 0.00 0.00 173.24 175.41 2cqp h ILE 939 N 2.36 1.03 -0.32 1.44 2.04 -1.99 -0.08 117.51 121.98 2cqp h ILE 939 Ca -0.29 -0.32 -0.02 0.00 1.00 0.00 0.00 64.86 65.23 2cqp h ILE 939 Cb 1.25 0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 2cqp h ILE 939 CO 0.41 0.17 0.13 0.44 0.00 0.00 0.00 178.15 179.30 2cqp h ASP 940 N 0.92 0.45 -0.49 1.72 5.19 -1.99 -1.00 116.42 121.22 2cqp h ASP 940 Ca 0.36 -0.17 -0.01 0.00 -0.62 0.00 0.00 57.03 56.59 2cqp h ASP 940 Cb 0.18 -0.12 -0.02 0.00 0.18 0.00 0.00 39.33 39.55 2cqp h ASP 940 CO -0.18 0.49 0.25 -0.33 -3.12 0.00 0.00 179.24 176.35 2cqp h GLU 941 N 0.37 0.69 -0.03 3.56 4.39 -1.82 -1.82 114.58 119.92 2cqp h GLU 941 Ca 0.11 -0.09 -0.00 0.00 0.34 0.00 0.00 59.36 59.72 2cqp h GLU 941 Cb 0.19 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 28.70 2cqp h GLU 941 CO -0.01 0.56 0.02 0.82 -1.16 0.00 0.00 179.01 179.24 2cqp h ILE 942 N 0.64 1.05 -0.85 3.13 2.04 -0.88 0.98 117.51 123.62 2cqp h ILE 942 Ca 0.17 -0.15 0.08 0.00 1.00 0.00 0.00 64.86 65.96 2cqp h ILE 942 Cb 0.09 1.10 -0.07 0.00 -0.74 0.00 0.00 36.82 37.20 2cqp h ILE 942 CO -0.02 0.04 0.51 -0.07 0.00 0.00 0.00 178.15 178.61 2cqp h LEU 943 N -0.02 0.76 -0.81 1.44 3.38 -1.05 -0.67 115.31 118.34 2cqp h LEU 943 Ca 0.01 0.03 -0.13 0.00 0.09 0.00 0.00 57.88 57.89 2cqp h LEU 943 Cb 0.06 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 2cqp h LEU 943 CO -0.00 0.46 -0.59 -0.78 0.09 0.00 0.00 178.44 177.61 2cqp h ASP 944 N 0.88 0.02 -0.14 -0.43 3.58 -1.06 -2.94 116.42 116.32 2cqp h ASP 944 Ca 0.39 -0.01 -0.08 0.00 0.42 0.00 0.00 57.03 57.75 2cqp h ASP 944 Cb 0.28 -0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.31 2cqp h ASP 944 CO -0.21 0.60 -0.16 0.15 -2.88 0.00 0.00 179.24 176.74 2cqp h PHE 945 N 0.01 0.58 -0.35 0.28 3.04 0.68 -2.11 116.94 119.07 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 1.05 -0.15 0.00 0.00 2.56 0.00 0.00 35.95 39.41 2cqp h PHE 945 CO 0.00 0.67 0.00 1.19 -2.02 0.00 0.00 178.31 178.15 2cqp n PHE 946 N -4.17 0.46 -1.31 0.41 3.01 -0.72 -4.97 117.46 110.16 2cqp n PHE 946 Ca 0.00 -0.23 -0.40 0.00 1.01 0.00 0.00 57.45 57.83 2cqp n PHE 946 Cb 0.35 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 39.83 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 0.63 -2.15 0.00 1.38 9.36 -0.80 -2.12 117.16 123.47 2cqp n TYR 947 Ca 0.14 0.52 0.00 0.00 3.32 0.00 0.00 57.90 61.89 2cqp n TYR 947 Cb 0.35 -1.78 0.00 0.00 -0.63 0.00 0.00 39.34 37.28 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 2.30 2.64 3.86 2.98 0.00 -1.26 -5.01 105.19 110.69 2cqp n GLY 948 Ca 0.10 -0.66 -0.34 0.00 0.00 0.00 0.00 46.02 45.12 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 -0.55 3.56 -1.11 1.61 2.02 -0.90 -5.01 117.35 116.97 2cqp s TYR 949 Ca 0.00 0.93 -0.20 0.00 -0.37 0.00 0.00 57.07 57.43 2cqp s TYR 949 Cb 0.00 -2.28 0.08 0.00 -0.40 0.00 0.00 41.96 39.37 2cqp s TYR 949 CO 0.00 0.43 1.48 -0.65 -1.57 0.00 0.00 175.55 175.24 2cqp s GLN 950 N -2.12 3.76 -0.07 -0.62 -0.21 -1.26 -4.98 119.66 114.16 2cqp s GLN 950 Ca 0.38 -1.64 -0.30 0.00 0.02 0.00 0.00 55.36 53.82 2cqp s GLN 950 Cb -0.14 -5.31 -0.02 0.00 1.00 0.00 0.00 33.01 28.54 2cqp s GLN 950 CO 0.19 -2.10 1.08 0.08 -2.12 0.00 0.00 175.29 172.42 2cqp s VAL 951 N 4.01 4.58 0.12 1.09 1.01 -1.26 -4.74 120.40 125.21 2cqp s VAL 951 Ca 0.46 1.87 -0.35 0.00 0.00 0.00 0.00 61.98 63.95 2cqp s VAL 951 Cb 0.00 -4.20 -0.16 0.00 0.00 0.00 0.00 36.38 32.02 2cqp s VAL 951 CO -0.04 0.02 1.42 -0.38 0.00 0.00 0.00 175.10 176.12 2cqp n ILE 952 N 4.50 0.05 -2.18 2.22 5.41 -1.19 -4.88 119.36 123.29 2cqp n ILE 952 Ca 0.09 -0.01 -0.42 0.00 1.00 0.00 0.00 62.75 63.41 2cqp n ILE 952 Cb 0.48 -1.09 -0.03 0.00 -0.71 0.00 0.00 39.64 38.30 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 0.59 4.27 0.00 0.38 0.04 -1.26 -2.57 135.00 136.45 2cqp s PRO 953 Ca 0.82 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.88 2cqp s PRO 953 Cb -0.85 -3.57 0.00 0.00 0.04 0.00 0.00 34.50 30.12 2cqp s PRO 953 CO 0.44 -0.60 0.00 0.41 0.04 0.00 0.00 177.00 177.29 2cqp n GLY 954 N 3.69 0.75 0.11 0.56 0.00 -1.26 -4.95 105.19 104.10 2cqp n GLY 954 Ca 0.13 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.95 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 0.30 -0.31 1.61 4.64 -1.85 -3.45 113.55 114.49 2cqp h SER 955 Ca 0.00 -0.85 -0.50 0.00 -0.47 0.00 0.00 61.79 59.98 2cqp h SER 955 Cb 0.00 -0.10 -0.07 0.00 -0.31 0.00 0.00 62.40 61.92 2cqp h SER 955 CO 0.00 1.48 1.73 0.52 -0.87 0.00 0.00 176.83 179.69 2cqp n VAL 956 N -4.12 -0.02 -3.88 0.95 0.31 -1.25 -4.47 118.33 105.85 2cqp n VAL 956 Ca -0.22 -0.16 -0.35 0.00 -0.01 0.00 0.00 64.34 63.61 2cqp n VAL 956 Cb 0.80 -0.95 -0.13 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 1.23 4.50 -0.17 0.00 1.43 -1.26 -1.15 118.68 123.25 2cqp s LEU 958 Ca -0.02 1.87 -0.06 0.00 -1.03 0.00 0.00 54.13 54.89 2cqp s LEU 958 Cb -0.20 -3.78 -0.03 0.00 0.03 0.00 0.00 46.19 42.21 2cqp s LEU 958 CO -0.02 0.06 0.02 -0.75 0.23 0.00 0.00 176.35 175.89 2cqp s LYS 959 N -1.59 3.82 0.49 1.70 2.47 -0.22 -4.98 119.74 121.43 2cqp s LYS 959 Ca 0.45 -0.43 0.05 0.00 -1.56 0.00 0.00 55.97 54.47 2cqp s LYS 959 Cb -0.22 -3.09 -0.01 0.00 -1.46 0.00 0.00 37.83 33.05 2cqp s LYS 959 CO 0.28 0.23 0.18 0.71 0.16 0.00 0.00 175.35 176.91 2cqp s TYR 960 N 0.45 2.02 0.39 4.03 1.51 -1.26 -1.69 117.35 122.80 2cqp s TYR 960 Ca 0.00 -0.80 -0.01 0.00 -1.01 0.00 0.00 57.07 55.25 2cqp s TYR 960 Cb -0.13 -1.81 0.08 0.00 -0.11 0.00 0.00 41.96 39.98 2cqp s TYR 960 CO 0.02 -0.00 0.53 0.09 -1.11 0.00 0.00 175.55 175.08 2cqp n ASN 961 N -1.40 0.63 0.00 2.29 3.02 0.16 -4.69 115.26 115.27 2cqp n ASN 961 Ca -0.08 -1.55 0.11 0.00 -0.03 0.00 0.00 54.58 53.03 2cqp n ASN 961 Cb 0.65 -0.35 0.55 0.00 -0.61 0.00 0.00 39.78 40.02 2cqp n ASN 961 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 2cqp n GLU 962 N -2.01 0.25 -0.12 3.52 0.28 -1.26 -3.10 120.64 118.20 2cqp n GLU 962 Ca 0.09 0.08 -0.15 0.00 -0.16 0.00 0.00 57.16 57.02 2cqp n GLU 962 Cb 0.30 -1.50 -0.13 0.00 1.43 0.00 0.00 31.44 31.54 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 -1.33 0.68 0.00 3.44 5.02 -1.26 -5.01 118.16 119.69 2cqp n LYS 963 Ca 0.10 0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.48 2cqp n LYS 963 Cb 0.20 -1.51 0.00 0.00 -0.02 0.00 0.00 35.03 33.70 2cqp n LYS 963 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2cqp n GLY 964 N 2.12 0.13 3.86 0.72 0.00 -1.18 -5.14 105.19 105.70 2cqp n GLY 964 Ca -0.41 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.29 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 3.92 0.04 1.61 -1.94 -1.26 -4.72 119.30 116.95 2cqp s MET 965 Ca 0.00 0.59 -0.30 0.00 -1.71 0.00 0.00 55.69 54.27 2cqp s MET 965 Cb 0.00 -2.42 -0.06 0.00 2.01 0.00 0.00 34.83 34.35 2cqp s MET 965 CO 0.00 0.10 1.42 -1.25 -0.01 0.00 0.00 175.02 175.28 2cqp s PRO 966 N -3.27 4.29 -0.02 2.03 0.04 -1.26 0.40 135.00 137.20 2cqp s PRO 966 Ca 0.53 2.03 0.06 0.00 0.04 0.00 0.00 61.00 63.66 2cqp s PRO 966 Cb -0.10 -3.49 0.21 0.00 0.04 0.00 0.00 34.50 31.16 2cqp s PRO 966 CO 0.22 -0.55 1.08 0.25 0.04 0.00 0.00 177.00 178.04 2cqp n THR 967 N 4.48 0.46 -2.38 1.26 -2.24 -0.68 -4.85 114.28 110.32 2cqp n THR 967 Ca 0.13 -0.34 -0.17 0.00 -2.27 0.00 0.00 64.05 61.40 2cqp n THR 967 Cb 0.43 -0.02 -0.00 0.00 -2.10 0.00 0.00 70.33 68.64 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 0.67 -0.34 3.23 3.38 0.00 -1.26 -4.85 105.19 106.02 2cqp n GLY 968 Ca 0.08 -0.15 -0.24 0.00 0.00 0.00 0.00 46.02 45.71 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 -4.92 1.22 0.01 1.61 2.02 -1.26 -2.56 118.70 114.82 2cqp s GLU 969 Ca 0.02 -0.93 -0.16 0.00 0.02 0.00 0.00 54.97 53.93 2cqp s GLU 969 Cb -0.01 -1.33 0.03 0.00 0.10 0.00 0.00 34.13 32.92 2cqp s GLU 969 CO 0.03 0.33 0.34 0.00 0.02 0.00 0.00 175.26 175.98 2cqp s ALA 970 N -0.88 -0.82 0.00 5.21 0.00 -0.80 -1.05 121.76 123.41 2cqp s ALA 970 Ca 0.06 0.27 0.04 0.00 0.00 0.00 0.00 51.96 52.32 2cqp s ALA 970 Cb -0.09 0.18 -0.01 0.00 0.00 0.00 0.00 23.12 23.20 2cqp s ALA 970 CO 0.02 -0.34 -0.11 -1.64 0.00 0.00 0.00 175.76 173.69 2cqp s MET 971 N -1.85 0.89 0.17 0.00 -1.94 -0.30 -0.02 119.30 116.26 2cqp s MET 971 Ca -0.10 -0.47 0.01 0.00 -1.71 0.00 0.00 55.69 53.42 2cqp s MET 971 Cb -0.03 -0.86 -0.04 0.00 2.01 0.00 0.00 34.83 35.91 2cqp s MET 971 CO 0.01 0.23 0.04 0.14 -0.01 0.00 0.00 175.02 175.44 2cqp s VAL 972 N -0.39 0.42 0.05 -6.03 -7.23 -0.89 -0.41 120.40 105.92 2cqp s VAL 972 Ca 0.03 -1.96 0.06 0.00 -1.81 0.00 0.00 61.98 58.30 2cqp s VAL 972 Cb -0.05 -2.18 -0.02 0.00 0.56 0.00 0.00 36.38 34.68 2cqp s VAL 972 CO -0.00 -0.38 -0.16 0.00 -0.31 0.00 0.00 175.10 174.25 2cqp s ALA 973 N -3.84 1.37 -0.03 1.32 0.00 -1.26 -0.35 121.76 118.98 2cqp s ALA 973 Ca 0.27 -0.95 0.04 0.00 0.00 0.00 0.00 51.96 51.32 2cqp s ALA 973 Cb 0.07 -0.21 -0.00 0.00 0.00 0.00 0.00 23.12 22.97 2cqp s ALA 973 CO 0.05 0.27 -0.14 -0.06 0.00 0.00 0.00 175.76 175.87 2cqp s PHE 974 N -0.94 1.36 0.24 0.00 0.40 0.65 -3.18 117.98 116.51 2cqp s PHE 974 Ca 0.03 -0.33 0.01 0.00 -0.60 0.00 0.00 56.93 56.04 2cqp s PHE 974 Cb -0.09 -0.91 0.26 0.00 0.51 0.00 0.00 43.02 42.80 2cqp s PHE 974 CO 0.02 -0.09 1.60 0.93 0.70 0.00 0.00 175.22 178.38 2cqp h GLU 975 N 6.09 0.44 -5.16 0.44 5.08 -1.88 -0.08 114.58 119.51 2cqp h GLU 975 Ca -0.34 -0.24 -0.64 0.00 -1.00 0.00 0.00 59.36 57.15 2cqp h GLU 975 Cb 1.17 0.01 -0.22 0.00 0.50 0.00 0.00 28.75 30.21 2cqp h GLU 975 CO 0.48 0.81 -0.65 -1.12 -1.00 0.00 0.00 179.01 177.53 2cqp s SER 976 N -6.87 4.94 0.10 1.42 0.01 -1.26 -4.77 113.70 107.27 2cqp s SER 976 Ca -0.06 -0.16 -0.20 0.00 1.31 0.00 0.00 55.95 56.84 2cqp s SER 976 Cb 0.12 -1.84 -0.09 0.00 0.21 0.00 0.00 66.02 64.42 2cqp s SER 976 CO 0.81 0.09 1.70 -0.09 0.41 0.00 0.00 173.24 176.16 2cqp h ARG 977 N 7.32 0.23 -0.79 12.44 2.43 -1.96 -2.16 114.38 131.89 2cqp h ARG 977 Ca -0.35 -0.03 0.08 0.00 -0.81 0.00 0.00 59.98 58.87 2cqp h ARG 977 Cb 1.18 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 30.63 2cqp h ARG 977 CO 0.62 0.23 0.52 0.22 -1.51 0.00 0.00 179.97 180.05 2cqp h ASP 978 N 0.17 0.72 -0.29 -3.80 3.58 -1.98 -1.92 116.42 112.90 2cqp h ASP 978 Ca 0.06 0.01 -0.03 0.00 0.42 0.00 0.00 57.03 57.48 2cqp h ASP 978 Cb 0.06 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 40.96 2cqp h ASP 978 CO -0.01 0.45 0.05 -0.33 -2.88 0.00 0.00 179.24 176.53 2cqp h GLU 979 N 0.81 0.48 -0.28 0.28 3.07 -1.88 -1.78 114.58 115.29 2cqp h GLU 979 Ca 0.35 -0.13 0.03 0.00 -0.50 0.00 0.00 59.36 59.11 2cqp h GLU 979 Cb 0.31 -0.06 -0.03 0.00 -0.84 0.00 0.00 28.75 28.13 2cqp h GLU 979 CO -0.13 0.58 0.10 0.00 -1.40 0.00 0.00 179.01 178.16 2cqp h ALA 980 N 0.88 0.31 -0.62 3.43 0.00 -0.74 0.13 119.26 122.66 2cqp h ALA 980 Ca 0.09 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 2cqp h ALA 980 Cb 0.33 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 2cqp h ALA 980 CO 0.00 -0.31 0.38 1.15 0.00 0.00 0.00 179.25 180.48 2cqp h THR 981 N 0.22 1.18 -0.59 0.00 2.02 -1.33 -0.85 112.91 113.56 2cqp h THR 981 Ca 0.12 -0.38 -0.03 0.00 0.77 0.00 0.00 66.41 66.89 2cqp h THR 981 Cb 0.08 0.31 -0.03 0.00 -1.74 0.00 0.00 68.15 66.78 2cqp h THR 981 CO -0.12 0.18 0.24 0.00 0.37 0.00 0.00 175.52 176.19 2cqp h ALA 982 N 1.20 0.77 -0.72 6.16 0.00 -0.93 -0.88 119.26 124.86 2cqp h ALA 982 Ca 0.22 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 2cqp h ALA 982 Cb -0.04 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 2cqp h ALA 982 CO -0.04 0.38 0.20 0.00 0.00 0.00 0.00 179.25 179.79 2cqp h ALA 983 N 1.09 0.94 -0.08 0.00 0.00 -0.64 0.62 119.26 121.18 2cqp h ALA 983 Ca 0.20 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2cqp h ALA 983 Cb 0.19 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 2cqp h ALA 983 CO -0.02 0.65 -0.00 0.28 0.00 0.00 0.00 179.25 180.15 2cqp h VAL 984 N 1.07 1.26 -0.47 0.00 2.07 -0.91 0.41 116.25 119.68 2cqp h VAL 984 Ca 0.23 -0.82 -0.04 0.00 0.82 0.00 0.00 66.70 66.89 2cqp h VAL 984 Cb 0.34 1.65 -0.02 0.00 -1.52 0.00 0.00 31.29 31.73 2cqp h VAL 984 CO -0.00 0.23 0.14 0.40 0.02 0.00 0.00 177.57 178.36 2cqp h ILE 985 N -0.14 1.23 0.00 4.57 2.04 -1.08 2.05 117.51 126.17 2cqp h ILE 985 Ca 0.02 -0.75 -0.02 0.00 1.00 0.00 0.00 64.86 65.11 2cqp h ILE 985 Cb 0.36 0.83 -0.00 0.00 -0.74 0.00 0.00 36.82 37.27 2cqp h ILE 985 CO 0.01 0.27 -0.11 0.44 0.00 0.00 0.00 178.15 178.76 2cqp h ASP 986 N 0.62 0.00 0.00 1.72 5.19 -0.86 -3.13 116.42 119.96 2cqp h ASP 986 Ca 0.15 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.56 2cqp h ASP 986 Cb 0.27 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.78 2cqp h ASP 986 CO -0.00 0.11 -0.22 0.18 -3.12 0.00 0.00 179.24 176.18 2cqp n LEU 987 N -3.18 2.46 -4.75 1.55 4.77 0.14 -5.00 117.00 112.99 2cqp n LEU 987 Ca 0.02 -3.40 -0.40 0.00 -0.03 0.00 0.00 56.01 52.20 2cqp n LEU 987 Cb 0.45 -0.46 -0.05 0.00 -2.33 0.00 0.00 43.42 41.03 2cqp n LEU 987 CO 0.32 1.00 0.43 0.21 -1.33 0.00 0.00 177.39 178.01 2cqp s ASN 988 N -3.00 7.18 -1.44 -1.43 3.84 0.69 -3.92 114.94 116.85 2cqp s ASN 988 Ca 0.34 1.40 -0.10 0.00 0.21 0.00 0.00 52.86 54.71 2cqp s ASN 988 Cb 0.32 -2.45 0.05 0.00 -0.55 0.00 0.00 41.25 38.62 2cqp s ASN 988 CO -0.01 0.06 1.01 0.47 -2.79 0.00 0.00 177.10 175.84 2cqp n ASP 989 N 2.63 -4.72 -4.73 -4.21 8.00 -0.86 -4.94 116.55 107.72 2cqp n ASP 989 Ca -0.04 -0.71 -0.40 0.00 0.71 0.00 0.00 54.79 54.35 2cqp n ASP 989 Cb 0.50 -4.30 -0.04 0.00 -0.02 0.00 0.00 41.12 37.25 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 -6.40 4.48 -1.08 -1.24 0.52 -1.21 -4.71 118.95 109.32 2cqp s ARG 990 Ca 0.53 1.05 -0.23 0.00 -0.52 0.00 0.00 55.73 56.56 2cqp s ARG 990 Cb -0.26 -3.42 -0.07 0.00 0.52 0.00 0.00 34.95 31.72 2cqp s ARG 990 CO 0.79 0.12 1.94 -1.25 0.02 0.00 0.00 175.30 176.92 2cqp s PRO 991 N 0.53 2.51 0.19 3.54 0.04 -1.26 -1.20 135.00 139.35 2cqp s PRO 991 Ca 0.41 -0.85 -0.28 0.00 0.04 0.00 0.00 61.00 60.32 2cqp s PRO 991 Cb -0.19 -5.18 -0.08 0.00 0.04 0.00 0.00 34.50 29.09 2cqp s PRO 991 CO 0.22 -3.77 0.86 0.42 0.04 0.00 0.00 177.00 174.76 2cqp s ILE 992 N 10.70 4.27 0.00 0.56 1.01 0.18 -4.76 121.20 133.16 2cqp s ILE 992 Ca 0.69 1.89 0.00 0.00 0.00 0.00 0.00 60.65 63.23 2cqp s ILE 992 Cb -0.03 -4.23 0.00 0.00 0.01 0.00 0.00 42.46 38.21 2cqp s ILE 992 CO 0.08 0.49 0.00 0.61 0.00 0.00 0.00 174.94 176.12 2cqp n GLY 993 N 1.63 0.39 0.00 6.18 0.00 -1.26 0.41 105.19 112.54 2cqp n GLY 993 Ca -0.03 0.43 0.00 0.00 0.00 0.00 0.00 46.02 46.42 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 2.74 0.33 -4.23 1.61 7.64 -1.26 -5.08 113.62 115.37 2cqp n SER 994 Ca 0.00 -0.90 -0.13 0.00 1.01 0.00 0.00 58.87 58.85 2cqp n SER 994 Cb 0.00 0.05 -0.10 0.00 -1.01 0.00 0.00 64.21 63.15 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 -0.05 1.02 0.16 1.43 0.52 0.17 -5.13 118.95 117.07 2cqp s ARG 995 Ca 0.00 -1.44 -0.17 0.00 -0.52 0.00 0.00 55.73 53.60 2cqp s ARG 995 Cb 0.00 -0.47 -0.07 0.00 0.52 0.00 0.00 34.95 34.92 2cqp s ARG 995 CO 0.00 0.02 0.63 0.15 0.02 0.00 0.00 175.30 176.11 2cqp s LYS 996 N -3.79 4.14 0.10 3.54 1.02 -1.26 0.48 119.74 123.96 2cqp s LYS 996 Ca 0.17 0.69 0.03 0.00 0.02 0.00 0.00 55.97 56.88 2cqp s LYS 996 Cb 0.04 -2.97 -0.04 0.00 -0.52 0.00 0.00 37.83 34.34 2cqp s LYS 996 CO -0.00 0.48 0.11 0.14 -0.92 0.00 0.00 175.35 175.15 2cqp s VAL 997 N -1.42 4.63 -0.16 3.17 -7.23 -0.34 -4.57 120.40 114.47 2cqp s VAL 997 Ca 0.38 -0.79 -0.01 0.00 -1.81 0.00 0.00 61.98 59.75 2cqp s VAL 997 Cb -0.17 -3.26 -0.01 0.00 0.56 0.00 0.00 36.38 33.50 2cqp s VAL 997 CO 0.20 0.07 -0.12 -0.75 -0.31 0.00 0.00 175.10 174.19 2cqp s LYS 998 N -2.57 3.33 -0.16 4.82 2.47 0.77 -2.02 119.74 126.37 2cqp s LYS 998 Ca 0.30 -0.69 -0.03 0.00 -1.56 0.00 0.00 55.97 54.00 2cqp s LYS 998 Cb -0.12 -2.71 -0.02 0.00 -1.46 0.00 0.00 37.83 33.52 2cqp s LYS 998 CO 0.23 0.06 -0.07 -0.51 0.16 0.00 0.00 175.35 175.22 2cqp s LEU 999 N 0.75 3.00 -0.02 5.43 1.43 -1.26 -1.70 118.68 126.31 2cqp s LEU 999 Ca -0.05 -0.25 0.06 0.00 -1.03 0.00 0.00 54.13 52.86 2cqp s LEU 999 Cb -0.15 -1.72 -0.01 0.00 0.03 0.00 0.00 46.19 44.34 2cqp s LEU 999 CO 0.01 0.13 -0.20 -0.69 0.23 0.00 0.00 176.35 175.84 2cqp s VAL 1000N 0.60 1.54 0.01 -1.59 1.01 -0.82 -4.95 120.40 116.20 2cqp s VAL 1000Ca -0.04 -0.83 -0.30 0.00 0.00 0.00 0.00 61.98 60.80 2cqp s VAL 1000Cb -0.15 -1.28 -0.04 0.00 0.00 0.00 0.00 36.38 34.91 2cqp s VAL 1000CO 0.03 0.44 1.14 -0.76 0.00 0.00 0.00 175.10 175.95 2cqp s LEU 1001N -0.43 4.34 0.14 3.92 1.43 -1.26 -1.81 118.68 125.01 2cqp s LEU 1001Ca 0.07 1.86 -0.28 0.00 -1.03 0.00 0.00 54.13 54.75 2cqp s LEU 1001Cb -0.08 -3.57 -0.07 0.00 0.03 0.00 0.00 46.19 42.51 2cqp s LEU 1001CO -0.01 -0.46 1.49 1.23 0.23 0.00 0.00 176.35 178.83 2cqp h GLY 1002N 7.27 -1.03 -5.21 -3.19 0.00 -0.59 -3.43 103.07 96.89 2cqp h GLY 1002Ca -0.39 0.83 0.02 0.00 0.00 0.00 0.00 47.33 47.79 2cqp h GLY 1002CO 0.82 -0.07 0.17 -1.35 0.00 0.00 0.00 176.54 176.11 2cqp s SER 1003N -5.21 -0.75 0.00 0.19 1.04 -1.26 -5.01 113.70 102.69 2cqp s SER 1003Ca -0.11 1.29 0.00 0.00 0.48 0.00 0.00 55.95 57.61 2cqp s SER 1003Cb 0.10 1.31 0.00 0.00 0.10 0.00 0.00 66.02 67.53 2cqp s SER 1003CO 0.56 -0.21 0.00 0.61 0.98 0.00 0.00 173.24 175.18 2cqp n GLY 1004N 3.48 0.87 0.23 7.32 0.00 -1.26 -4.78 105.19 111.05 2cqp n GLY 1004Ca -0.17 -1.06 0.11 0.00 0.00 0.00 0.00 46.02 44.90 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 0.00 -4.36 1.61 0.13 -2.02 -3.47 132.00 123.89 2cqp h PRO 1005Ca 0.00 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.81 2cqp h PRO 1005Cb 0.00 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 30.85 2cqp h PRO 1005CO 0.00 0.19 -0.75 -1.54 -0.23 0.00 0.00 178.00 175.67 2cqp s SER 1006N -6.15 0.66 -0.12 1.44 1.04 -1.26 -5.14 113.70 104.17 2cqp s SER 1006Ca -0.00 -0.14 -0.04 0.00 0.48 0.00 0.00 55.95 56.25 2cqp s SER 1006Cb 0.11 -0.06 0.06 0.00 0.10 0.00 0.00 66.02 66.23 2cqp s SER 1006CO 0.62 0.04 0.17 -0.55 0.98 0.00 0.00 173.24 174.50 2cqp s SER 1007N -0.27 1.01 0.00 7.02 0.15 -1.26 -5.12 113.70 115.24 2cqp s SER 1007Ca 0.01 0.14 0.00 0.00 0.70 0.00 0.00 55.95 56.80 2cqp s SER 1007Cb -0.03 0.27 0.00 0.00 -1.71 0.00 0.00 66.02 64.55 2cqp s SER 1007CO -0.00 -0.27 0.00 0.61 1.20 0.00 0.00 173.24 174.78