#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 1.86 -0.12 1.61 0.01 -1.26 -5.10 113.70 110.70 2cqp s SER 912 Ca 0.00 -0.29 -0.29 0.00 1.31 0.00 0.00 55.95 56.68 2cqp s SER 912 Cb 0.00 -0.29 -0.06 0.00 0.21 0.00 0.00 66.02 65.88 2cqp s SER 912 CO 0.00 0.18 1.92 -0.44 0.41 0.00 0.00 173.24 175.30 2cqp s SER 913 N -0.24 6.15 0.00 2.44 0.01 -1.26 -4.79 113.70 116.01 2cqp s SER 913 Ca 0.03 2.10 0.00 0.00 1.31 0.00 0.00 55.95 59.40 2cqp s SER 913 Cb -0.07 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.63 2cqp s SER 913 CO 0.00 -1.37 0.00 0.61 0.41 0.00 0.00 173.24 172.89 2cqp n GLY 914 N 4.91 -1.91 0.43 3.44 0.00 -1.26 -5.06 105.19 105.74 2cqp n GLY 914 Ca 0.22 0.89 -0.14 0.00 0.00 0.00 0.00 46.02 46.99 2cqp n GLY 914 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2cqp h SER 915 N 0.00 -1.58 -3.59 1.61 0.02 -2.08 -3.40 113.55 104.54 2cqp h SER 915 Ca 0.00 0.19 -0.52 0.00 -0.84 0.00 0.00 61.79 60.62 2cqp h SER 915 Cb 0.00 0.61 0.03 0.00 0.14 0.00 0.00 62.40 63.18 2cqp h SER 915 CO 0.00 -0.45 0.57 -0.55 -1.14 0.00 0.00 176.83 175.27 2cqp s SER 916 N -4.64 7.03 0.00 3.07 0.15 -1.26 -4.86 113.70 113.20 2cqp s SER 916 Ca -0.14 2.35 0.00 0.00 0.70 0.00 0.00 55.95 58.86 2cqp s SER 916 Cb 0.06 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.76 2cqp s SER 916 CO 0.56 -0.38 0.00 0.61 1.20 0.00 0.00 173.24 175.22 2cqp n GLY 917 N 1.81 -1.26 3.54 9.45 0.00 -1.26 -5.12 105.19 112.34 2cqp n GLY 917 Ca 0.03 0.40 -0.55 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.33 -0.89 4.61 0.00 -1.26 -4.78 120.51 115.86 2cqp n ALA 918 Ca 0.00 0.55 -0.10 0.00 0.00 0.00 0.00 53.44 53.88 2cqp n ALA 918 Cb 0.00 -1.90 -0.08 0.00 0.00 0.00 0.00 19.45 17.47 2cqp n ALA 918 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2cqp n SER 919 N 1.96 5.56 -4.57 0.00 7.64 -1.26 -4.94 113.62 118.01 2cqp n SER 919 Ca 0.19 -2.61 -0.31 0.00 1.01 0.00 0.00 58.87 57.14 2cqp n SER 919 Cb 0.15 -1.26 0.16 0.00 -1.01 0.00 0.00 64.21 62.24 2cqp n SER 919 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2cqp n SER 920 N 1.74 -0.63 -3.47 6.43 7.64 -1.26 -1.47 113.62 122.60 2cqp n SER 920 Ca 0.28 0.34 -0.14 0.00 1.01 0.00 0.00 58.87 60.37 2cqp n SER 920 Cb 0.70 -1.37 -0.04 0.00 -1.01 0.00 0.00 64.21 62.50 2cqp n SER 920 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2cqp s GLY 921 N -2.41 -0.57 0.45 0.23 0.00 -1.26 -4.41 107.32 99.35 2cqp s GLY 921 Ca 0.64 0.69 -0.24 0.00 0.00 0.00 0.00 44.72 45.80 2cqp s GLY 921 CO 0.62 0.36 1.21 0.28 0.00 0.00 0.00 173.10 175.56 2cqp n LYS 922 N 0.05 1.72 -2.12 2.90 4.76 -1.26 -4.82 118.16 119.39 2cqp n LYS 922 Ca -0.18 0.62 -0.43 0.00 -2.87 0.00 0.00 58.31 55.45 2cqp n LYS 922 Cb 0.62 -2.33 -0.03 0.00 -1.84 0.00 0.00 35.03 31.46 2cqp n LYS 922 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 2cqp s PRO 923 N -2.29 3.74 0.00 1.97 0.04 -1.26 -4.79 135.00 132.41 2cqp s PRO 923 Ca 0.64 1.61 0.00 0.00 0.04 0.00 0.00 61.00 63.28 2cqp s PRO 923 Cb -0.50 -4.05 0.00 0.00 0.04 0.00 0.00 34.50 29.99 2cqp s PRO 923 CO 0.56 -1.36 0.00 0.41 0.04 0.00 0.00 177.00 176.65 2cqp n GLY 924 N 4.74 -0.13 3.68 0.56 0.00 -1.26 -5.14 105.19 107.64 2cqp n GLY 924 Ca 0.19 -1.06 -0.29 0.00 0.00 0.00 0.00 46.02 44.87 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 0.50 -0.17 1.61 0.04 -1.26 -4.90 135.00 128.81 2cqp s PRO 925 Ca 0.00 0.54 -0.08 0.00 0.04 0.00 0.00 61.00 61.50 2cqp s PRO 925 Cb 0.00 -1.74 -0.04 0.00 0.04 0.00 0.00 34.50 32.75 2cqp s PRO 925 CO 0.00 -2.69 0.11 0.99 0.04 0.00 0.00 177.00 175.45 2cqp s THR 926 N -2.96 5.25 -0.21 1.26 2.01 -0.64 -4.86 115.64 115.48 2cqp s THR 926 Ca 0.65 0.13 -0.10 0.00 0.31 0.00 0.00 61.69 62.68 2cqp s THR 926 Cb -0.18 -3.35 -0.05 0.00 0.01 0.00 0.00 72.50 68.92 2cqp s THR 926 CO 0.57 0.50 0.13 -0.63 -0.69 0.00 0.00 174.62 174.50 2cqp s ILE 927 N -0.05 5.29 0.02 1.82 -1.09 -1.26 -0.49 121.20 125.44 2cqp s ILE 927 Ca 0.09 0.15 0.02 0.00 -2.23 0.00 0.00 60.65 58.68 2cqp s ILE 927 Cb -0.12 -3.43 -0.04 0.00 -1.58 0.00 0.00 42.46 37.30 2cqp s ILE 927 CO 0.00 0.41 -0.01 -0.63 -1.23 0.00 0.00 174.94 173.48 2cqp s ILE 928 N 0.64 4.04 -0.11 2.92 1.01 0.29 -0.22 121.20 129.76 2cqp s ILE 928 Ca 0.07 -0.70 0.01 0.00 0.00 0.00 0.00 60.65 60.03 2cqp s ILE 928 Cb -0.12 -2.82 -0.01 0.00 0.01 0.00 0.00 42.46 39.51 2cqp s ILE 928 CO 0.01 0.33 -0.14 -0.54 0.00 0.00 0.00 174.94 174.59 2cqp s LYS 929 N -1.67 3.22 -0.16 2.79 1.02 -0.89 -1.94 119.74 122.10 2cqp s LYS 929 Ca 0.20 -0.71 -0.01 0.00 0.02 0.00 0.00 55.97 55.47 2cqp s LYS 929 Cb -0.11 -2.56 -0.01 0.00 -0.52 0.00 0.00 37.83 34.63 2cqp s LYS 929 CO 0.11 0.27 -0.10 0.08 -0.92 0.00 0.00 175.35 174.79 2cqp s VAL 930 N 0.19 3.17 0.25 3.17 1.01 0.52 -1.41 120.40 127.30 2cqp s VAL 930 Ca -0.09 -0.60 0.03 0.00 0.00 0.00 0.00 61.98 61.32 2cqp s VAL 930 Cb -0.15 -2.37 -0.05 0.00 0.00 0.00 0.00 36.38 33.80 2cqp s VAL 930 CO 0.05 0.50 0.03 -1.58 0.00 0.00 0.00 175.10 174.10 2cqp s GLN 931 N 0.69 1.38 -0.65 2.72 0.74 -0.17 -1.91 119.66 122.45 2cqp s GLN 931 Ca -0.05 -1.72 -0.00 0.00 0.05 0.00 0.00 55.36 53.64 2cqp s GLN 931 Cb -0.15 -0.53 -0.00 0.00 1.10 0.00 0.00 33.01 33.42 2cqp s GLN 931 CO 0.02 -0.16 0.54 -1.71 -0.55 0.00 0.00 175.29 173.43 2cqp n ASN 932 N -0.45 -2.11 -4.24 6.67 4.05 -1.22 -0.25 115.26 117.71 2cqp n ASN 932 Ca -0.03 -0.34 -0.32 0.00 0.45 0.00 0.00 54.58 54.33 2cqp n ASN 932 Cb 0.65 -3.03 -0.17 0.00 1.23 0.00 0.00 39.78 38.46 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 -4.71 3.04 0.74 1.20 -1.94 -0.98 -3.90 119.30 112.74 2cqp s MET 933 Ca 0.01 -0.86 -0.12 0.00 -1.71 0.00 0.00 55.69 53.01 2cqp s MET 933 Cb -0.00 -2.32 0.04 0.00 2.01 0.00 0.00 34.83 34.56 2cqp s MET 933 CO 0.40 0.21 1.10 -1.25 -0.01 0.00 0.00 175.02 175.46 2cqp s PRO 934 N 0.28 2.41 0.44 2.03 0.04 -1.26 -3.84 135.00 135.10 2cqp s PRO 934 Ca -0.16 1.24 0.14 0.00 0.04 0.00 0.00 61.00 62.25 2cqp s PRO 934 Cb -0.17 -1.91 1.04 0.00 0.04 0.00 0.00 34.50 33.49 2cqp s PRO 934 CO 0.08 -1.53 1.99 0.74 0.04 0.00 0.00 177.00 178.32 2cqp h PHE 935 N -0.78 0.41 -0.76 0.56 0.04 -1.99 -0.78 116.94 113.64 2cqp h PHE 935 Ca -0.44 0.01 0.19 0.00 2.80 0.00 0.00 57.97 60.52 2cqp h PHE 935 Cb 1.24 -0.13 -0.04 0.00 2.20 0.00 0.00 35.95 39.21 2cqp h PHE 935 CO 0.57 0.20 0.53 1.79 -0.60 0.00 0.00 178.31 180.80 2cqp h THR 936 N 0.39 0.70 -2.48 -1.55 1.35 -1.99 -3.42 112.91 105.91 2cqp h THR 936 Ca 0.26 -0.07 -0.60 0.00 -0.55 0.00 0.00 66.41 65.44 2cqp h THR 936 Cb 0.51 0.46 0.11 0.00 -1.73 0.00 0.00 68.15 67.50 2cqp h THR 936 CO -0.07 0.04 0.08 0.52 -0.25 0.00 0.00 175.52 175.84 2cqp n VAL 937 N -4.41 2.03 -4.11 6.82 0.31 -0.30 -4.99 118.33 113.67 2cqp n VAL 937 Ca 0.15 -0.50 -0.12 0.00 -0.01 0.00 0.00 64.34 63.86 2cqp n VAL 937 Cb 0.69 -0.95 -0.07 0.00 -0.91 0.00 0.00 33.84 32.60 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 -0.62 0.40 0.23 4.52 0.01 -1.26 -5.03 113.70 111.95 2cqp s SER 938 Ca 0.60 -1.30 -0.07 0.00 1.31 0.00 0.00 55.95 56.49 2cqp s SER 938 Cb -0.69 0.54 0.29 0.00 0.21 0.00 0.00 66.02 66.37 2cqp s SER 938 CO 0.59 -1.08 1.86 0.40 0.41 0.00 0.00 173.24 175.43 2cqp h ILE 939 N 2.33 1.08 -0.32 1.44 2.04 -1.98 0.18 117.51 122.27 2cqp h ILE 939 Ca -0.30 -0.33 -0.02 0.00 1.00 0.00 0.00 64.86 65.21 2cqp h ILE 939 Cb 1.25 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.33 2cqp h ILE 939 CO 0.42 0.18 0.13 0.44 0.00 0.00 0.00 178.15 179.32 2cqp h ASP 940 N 0.98 0.44 -0.31 1.72 5.19 -1.99 0.17 116.42 122.62 2cqp h ASP 940 Ca 0.35 -0.16 -0.04 0.00 -0.62 0.00 0.00 57.03 56.56 2cqp h ASP 940 Cb 0.10 -0.11 -0.01 0.00 0.18 0.00 0.00 39.33 39.48 2cqp h ASP 940 CO -0.15 0.48 0.03 -0.33 -3.12 0.00 0.00 179.24 176.15 2cqp h GLU 941 N 0.37 0.53 -0.14 3.56 4.39 -1.84 -1.84 114.58 119.60 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 0.18 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 2cqp h GLU 941 CO -0.01 0.64 0.09 0.82 -1.16 0.00 0.00 179.01 179.39 2cqp h ILE 942 N 0.34 1.07 -0.82 3.13 2.04 -0.56 0.18 117.51 122.89 2cqp h ILE 942 Ca 0.09 -0.19 0.04 0.00 1.00 0.00 0.00 64.86 65.80 2cqp h ILE 942 Cb 0.38 0.94 -0.05 0.00 -0.74 0.00 0.00 36.82 37.35 2cqp h ILE 942 CO 0.01 0.07 0.52 -0.07 0.00 0.00 0.00 178.15 178.68 2cqp h LEU 943 N 0.16 0.86 -0.78 1.44 3.38 -0.93 -1.55 115.31 117.90 2cqp h LEU 943 Ca 0.05 -0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.89 2cqp h LEU 943 Cb 0.04 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 2cqp h LEU 943 CO -0.01 0.59 -0.58 -0.78 0.09 0.00 0.00 178.44 177.75 2cqp h ASP 944 N 1.01 0.12 -0.61 -0.43 1.82 -1.05 -3.09 116.42 114.19 2cqp h ASP 944 Ca 0.33 -0.07 -0.07 0.00 -0.39 0.00 0.00 57.03 56.84 2cqp h ASP 944 Cb 0.03 -0.03 -0.02 0.00 0.68 0.00 0.00 39.33 39.98 2cqp h ASP 944 CO -0.12 0.67 0.11 0.15 -1.61 0.00 0.00 179.24 178.44 2cqp h PHE 945 N 0.08 1.05 -0.04 0.28 3.04 0.30 -1.98 116.94 119.68 2cqp h PHE 945 Ca -0.00 -0.14 0.00 0.00 3.98 0.00 0.00 57.97 61.80 2cqp h PHE 945 Cb 1.04 -0.29 0.00 0.00 2.56 0.00 0.00 35.95 39.26 2cqp h PHE 945 CO 0.01 0.90 0.00 1.19 -2.02 0.00 0.00 178.31 178.39 2cqp n PHE 946 N -4.31 0.05 -1.29 0.41 3.72 -0.72 -4.93 117.46 110.40 2cqp n PHE 946 Ca 0.03 -0.03 -0.39 0.00 -0.05 0.00 0.00 57.45 57.01 2cqp n PHE 946 Cb 0.27 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.82 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 -0.46 -2.44 0.00 1.38 9.36 -0.75 -1.90 117.16 122.35 2cqp n TYR 947 Ca 0.07 0.48 0.00 0.00 3.32 0.00 0.00 57.90 61.77 2cqp n TYR 947 Cb 0.07 -1.74 0.00 0.00 -0.63 0.00 0.00 39.34 37.04 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 2.37 2.31 3.74 2.98 0.00 -1.26 -4.99 105.19 110.34 2cqp n GLY 948 Ca 0.09 -0.54 -0.36 0.00 0.00 0.00 0.00 46.02 45.21 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 -0.58 3.46 -0.83 1.61 2.02 -0.80 -5.01 117.35 117.22 2cqp s TYR 949 Ca 0.00 0.54 -0.25 0.00 -0.37 0.00 0.00 57.07 56.99 2cqp s TYR 949 Cb 0.00 -2.27 -0.04 0.00 -0.40 0.00 0.00 41.96 39.24 2cqp s TYR 949 CO 0.00 0.29 1.94 -0.65 -1.57 0.00 0.00 175.55 175.56 2cqp s GLN 950 N 0.31 2.55 -0.08 -0.62 -1.52 -1.26 -4.94 119.66 114.11 2cqp s GLN 950 Ca 0.14 -0.07 -0.30 0.00 -1.95 0.00 0.00 55.36 53.19 2cqp s GLN 950 Cb -0.13 -4.90 -0.02 0.00 -0.22 0.00 0.00 33.01 27.74 2cqp s GLN 950 CO 0.03 -3.25 1.09 0.08 -0.25 0.00 0.00 175.29 172.99 2cqp s VAL 951 N 9.94 4.56 0.22 1.09 1.01 -1.26 -4.79 120.40 131.16 2cqp s VAL 951 Ca 0.70 1.85 -0.32 0.00 0.00 0.00 0.00 61.98 64.21 2cqp s VAL 951 Cb -0.08 -4.19 -0.14 0.00 0.00 0.00 0.00 36.38 31.97 2cqp s VAL 951 CO 0.04 0.01 1.41 -0.38 0.00 0.00 0.00 175.10 176.19 2cqp n ILE 952 N 4.53 0.77 -2.26 2.22 5.41 -1.21 -4.93 119.36 123.88 2cqp n ILE 952 Ca 0.09 -0.19 -0.37 0.00 1.00 0.00 0.00 62.75 63.29 2cqp n ILE 952 Cb 0.48 -1.42 -0.01 0.00 -0.71 0.00 0.00 39.64 37.98 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 -0.17 3.67 0.00 0.38 0.04 -1.26 -2.94 135.00 134.72 2cqp s PRO 953 Ca 0.71 1.74 0.00 0.00 0.04 0.00 0.00 61.00 63.49 2cqp s PRO 953 Cb -0.68 -2.32 0.00 0.00 0.04 0.00 0.00 34.50 31.54 2cqp s PRO 953 CO 0.48 -0.62 0.00 0.41 0.04 0.00 0.00 177.00 177.31 2cqp n GLY 954 N 0.38 0.21 0.09 0.56 0.00 -1.26 -4.84 105.19 100.33 2cqp n GLY 954 Ca 0.08 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.56 1.87 -4.50 1.61 7.64 -1.15 -4.85 113.62 113.67 2cqp n SER 955 Ca 0.00 0.48 -0.36 0.00 1.01 0.00 0.00 58.87 60.00 2cqp n SER 955 Cb 0.28 -0.86 -0.17 0.00 -1.01 0.00 0.00 64.21 62.45 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 -4.49 -0.00 -4.49 0.44 0.31 -1.25 -4.60 118.33 104.24 2cqp n VAL 956 Ca -0.21 -0.13 -0.34 0.00 -0.01 0.00 0.00 64.34 63.65 2cqp n VAL 956 Cb 0.50 -0.37 -0.13 0.00 -0.91 0.00 0.00 33.84 32.94 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 0.45 4.44 -0.11 0.00 1.43 -1.26 -0.47 118.68 123.15 2cqp s LEU 958 Ca -0.06 0.83 -0.16 0.00 -1.03 0.00 0.00 54.13 53.71 2cqp s LEU 958 Cb -0.15 -2.47 -0.05 0.00 0.03 0.00 0.00 46.19 43.56 2cqp s LEU 958 CO 0.04 0.32 0.41 -0.75 0.23 0.00 0.00 176.35 176.59 2cqp s LYS 959 N -0.94 4.25 0.27 1.70 2.20 -0.45 -4.99 119.74 121.78 2cqp s LYS 959 Ca 0.22 0.33 0.10 0.00 -0.36 0.00 0.00 55.97 56.25 2cqp s LYS 959 Cb -0.15 -3.40 -0.05 0.00 -1.51 0.00 0.00 37.83 32.72 2cqp s LYS 959 CO 0.11 0.27 -0.06 0.71 -0.36 0.00 0.00 175.35 176.02 2cqp s TYR 960 N 0.31 2.58 0.39 4.03 2.02 -1.26 -1.10 117.35 124.32 2cqp s TYR 960 Ca 0.22 -0.26 0.06 0.00 -0.37 0.00 0.00 57.07 56.72 2cqp s TYR 960 Cb -0.15 -1.15 0.07 0.00 -0.40 0.00 0.00 41.96 40.33 2cqp s TYR 960 CO 0.09 0.64 0.54 0.27 -1.57 0.00 0.00 175.55 175.52 2cqp n ASN 961 N -0.82 1.38 -0.15 2.29 2.04 0.13 -4.72 115.26 115.40 2cqp n ASN 961 Ca -0.06 -2.01 -0.03 0.00 -0.44 0.00 0.00 54.58 52.04 2cqp n ASN 961 Cb 0.59 -0.29 0.06 0.00 -2.53 0.00 0.00 39.78 37.61 2cqp n ASN 961 CO 0.00 0.00 0.00 1.05 -0.44 0.00 0.00 177.26 177.87 2cqp h GLU 962 N 0.00 0.25 0.00 -3.83 4.11 -2.02 0.32 114.58 113.41 2cqp h GLU 962 Ca -0.18 -0.01 -0.03 0.00 0.07 0.00 0.00 59.36 59.20 2cqp h GLU 962 Cb 0.83 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.02 2cqp h GLU 962 CO 0.26 0.16 -0.15 0.87 0.07 0.00 0.00 179.01 180.22 2cqp h LYS 963 N 0.25 0.00 0.00 1.06 1.79 -2.04 -3.46 116.57 114.17 2cqp h LYS 963 Ca 0.23 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.70 2cqp h LYS 963 Cb 0.29 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.94 2cqp h LYS 963 CO -0.29 0.15 0.00 0.41 -1.08 0.00 0.00 179.45 178.64 2cqp n GLY 964 N -0.50 1.00 3.65 3.86 0.00 0.10 -5.10 105.19 108.20 2cqp n GLY 964 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 2cqp n GLY 964 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2cqp n MET 965 N -0.04 0.48 -2.20 1.61 0.00 -1.26 -4.09 117.12 111.62 2cqp n MET 965 Ca 0.00 0.23 -0.42 0.00 0.00 0.00 0.00 57.70 57.51 2cqp n MET 965 Cb 0.00 -2.32 -0.03 0.00 0.00 0.00 0.00 33.22 30.87 2cqp n MET 965 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 2cqp s PRO 966 N -3.57 4.33 -0.08 3.17 0.04 -1.26 0.20 135.00 137.83 2cqp s PRO 966 Ca 0.74 2.03 0.01 0.00 0.04 0.00 0.00 61.00 63.83 2cqp s PRO 966 Cb -0.33 -3.30 0.14 0.00 0.04 0.00 0.00 34.50 31.05 2cqp s PRO 966 CO 0.49 -0.44 1.05 0.25 0.04 0.00 0.00 177.00 178.40 2cqp n THR 967 N 4.03 1.17 -2.83 1.26 -2.24 -0.25 -4.81 114.28 110.60 2cqp n THR 967 Ca 0.11 -0.35 -0.20 0.00 -2.27 0.00 0.00 64.05 61.34 2cqp n THR 967 Cb 0.43 -0.76 0.01 0.00 -2.10 0.00 0.00 70.33 67.91 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 0.16 -0.51 3.18 3.38 0.00 -1.25 -4.84 105.19 105.32 2cqp n GLY 968 Ca 0.10 0.07 -0.20 0.00 0.00 0.00 0.00 46.02 45.98 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 -5.48 0.95 -0.05 1.61 2.02 -1.26 -2.33 118.70 114.16 2cqp s GLU 969 Ca 0.19 -0.91 -0.16 0.00 0.02 0.00 0.00 54.97 54.12 2cqp s GLU 969 Cb -0.09 -1.01 0.03 0.00 0.10 0.00 0.00 34.13 33.16 2cqp s GLU 969 CO 0.24 0.24 0.36 0.00 0.02 0.00 0.00 175.26 176.12 2cqp s ALA 970 N -1.06 -0.91 0.01 5.21 0.00 -0.80 -1.34 121.76 122.87 2cqp s ALA 970 Ca 0.01 0.62 0.07 0.00 0.00 0.00 0.00 51.96 52.67 2cqp s ALA 970 Cb -0.09 -0.13 -0.02 0.00 0.00 0.00 0.00 23.12 22.87 2cqp s ALA 970 CO 0.02 -0.25 -0.22 -1.64 0.00 0.00 0.00 175.76 173.67 2cqp s MET 971 N -0.87 1.69 0.13 0.00 -1.94 0.38 -0.35 119.30 118.34 2cqp s MET 971 Ca -0.09 -0.87 -0.01 0.00 -1.71 0.00 0.00 55.69 53.01 2cqp s MET 971 Cb -0.04 -1.71 -0.04 0.00 2.01 0.00 0.00 34.83 35.05 2cqp s MET 971 CO 0.04 0.46 0.04 0.14 -0.01 0.00 0.00 175.02 175.68 2cqp s VAL 972 N -0.63 0.19 0.09 -6.03 -7.23 -0.82 -0.55 120.40 105.42 2cqp s VAL 972 Ca 0.09 -1.91 0.06 0.00 -1.81 0.00 0.00 61.98 58.41 2cqp s VAL 972 Cb -0.09 -2.00 -0.03 0.00 0.56 0.00 0.00 36.38 34.82 2cqp s VAL 972 CO 0.00 -0.52 -0.15 0.00 -0.31 0.00 0.00 175.10 174.12 2cqp s ALA 973 N -3.98 1.40 0.07 1.32 0.00 -1.26 -0.55 121.76 118.75 2cqp s ALA 973 Ca 0.22 -1.14 0.06 0.00 0.00 0.00 0.00 51.96 51.10 2cqp s ALA 973 Cb 0.07 -0.12 -0.03 0.00 0.00 0.00 0.00 23.12 23.05 2cqp s ALA 973 CO 0.01 0.18 -0.17 -0.06 0.00 0.00 0.00 175.76 175.72 2cqp s PHE 974 N -1.53 1.45 0.14 0.00 0.40 0.36 -3.29 117.98 115.51 2cqp s PHE 974 Ca 0.03 -0.41 -0.04 0.00 -0.60 0.00 0.00 56.93 55.91 2cqp s PHE 974 Cb -0.08 -0.83 -0.07 0.00 0.51 0.00 0.00 43.02 42.55 2cqp s PHE 974 CO 0.03 0.09 1.33 0.93 0.70 0.00 0.00 175.22 178.31 2cqp h GLU 975 N 4.49 0.44 -5.82 0.44 5.08 -1.88 -1.69 114.58 115.64 2cqp h GLU 975 Ca -0.42 -0.44 -0.68 0.00 -1.00 0.00 0.00 59.36 56.83 2cqp h GLU 975 Cb 1.18 0.12 -0.27 0.00 0.50 0.00 0.00 28.75 30.28 2cqp h GLU 975 CO 0.42 1.09 -0.80 0.45 -1.00 0.00 0.00 179.01 179.16 2cqp s SER 976 N -7.06 3.75 0.24 1.42 0.15 -1.26 -4.67 113.70 106.26 2cqp s SER 976 Ca -0.06 -0.34 -0.06 0.00 0.70 0.00 0.00 55.95 56.19 2cqp s SER 976 Cb 0.09 -1.16 0.23 0.00 -1.71 0.00 0.00 66.02 63.47 2cqp s SER 976 CO 0.86 0.24 1.87 -0.09 1.20 0.00 0.00 173.24 177.33 2cqp h ARG 977 N 6.09 1.27 -0.74 5.44 2.43 -1.90 -2.19 114.38 124.78 2cqp h ARG 977 Ca -0.34 -0.13 -0.02 0.00 -0.81 0.00 0.00 59.98 58.68 2cqp h ARG 977 Cb 1.19 -0.26 -0.03 0.00 -0.42 0.00 0.00 29.97 30.44 2cqp h ARG 977 CO 0.51 0.91 0.38 -0.44 -1.51 0.00 0.00 179.97 179.82 2cqp h ASP 978 N 1.28 0.94 -0.41 -3.80 5.19 -1.99 -2.13 116.42 115.50 2cqp h ASP 978 Ca 0.33 -0.11 -0.02 0.00 -0.62 0.00 0.00 57.03 56.61 2cqp h ASP 978 Cb -0.01 -0.24 -0.02 0.00 0.18 0.00 0.00 39.33 39.24 2cqp h ASP 978 CO -0.06 0.79 0.18 -0.33 -3.12 0.00 0.00 179.24 176.70 2cqp h GLU 979 N 1.02 0.59 -0.16 3.56 5.08 -1.87 -0.57 114.58 122.24 2cqp h GLU 979 Ca 0.26 -0.09 0.02 0.00 -1.00 0.00 0.00 59.36 58.54 2cqp h GLU 979 Cb 0.07 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 2cqp h GLU 979 CO -0.04 0.53 0.02 0.00 -1.00 0.00 0.00 179.01 178.52 2cqp h ALA 980 N 1.03 0.15 -0.50 3.43 0.00 -1.16 0.49 119.26 122.70 2cqp h ALA 980 Ca 0.14 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 2cqp h ALA 980 Cb 0.14 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 2cqp h ALA 980 CO -0.02 -0.42 0.22 1.15 0.00 0.00 0.00 179.25 180.18 2cqp h THR 981 N 0.08 1.20 -0.39 0.00 2.02 -1.27 -1.44 112.91 113.11 2cqp h THR 981 Ca 0.07 -0.60 -0.00 0.00 0.77 0.00 0.00 66.41 66.65 2cqp h THR 981 Cb 0.07 0.67 -0.02 0.00 -1.74 0.00 0.00 68.15 67.13 2cqp h THR 981 CO -0.10 0.23 0.24 0.00 0.37 0.00 0.00 175.52 176.26 2cqp h ALA 982 N 1.07 0.50 -0.68 6.16 0.00 -0.80 -0.92 119.26 124.59 2cqp h ALA 982 Ca 0.17 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 2cqp h ALA 982 Cb 0.15 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 2cqp h ALA 982 CO -0.02 -0.01 0.29 0.00 0.00 0.00 0.00 179.25 179.51 2cqp h ALA 983 N 1.11 1.23 -0.02 0.00 0.00 -0.73 -0.77 119.26 120.08 2cqp h ALA 983 Ca 0.14 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2cqp h ALA 983 Cb -0.01 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.50 2cqp h ALA 983 CO -0.03 0.57 0.00 0.28 0.00 0.00 0.00 179.25 180.08 2cqp h VAL 984 N 0.98 1.24 -0.23 0.00 2.07 -0.86 0.32 116.25 119.77 2cqp h VAL 984 Ca 0.23 -0.72 -0.00 0.00 0.82 0.00 0.00 66.70 67.03 2cqp h VAL 984 Cb 0.16 1.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 2cqp h VAL 984 CO -0.02 0.19 0.14 0.40 0.02 0.00 0.00 177.57 178.29 2cqp h ILE 985 N -0.26 1.09 0.00 4.57 2.04 -1.03 1.90 117.51 125.82 2cqp h ILE 985 Ca 0.01 -0.22 -0.02 0.00 1.00 0.00 0.00 64.86 65.62 2cqp h ILE 985 Cb 0.31 0.83 -0.00 0.00 -0.74 0.00 0.00 36.82 37.22 2cqp h ILE 985 CO 0.00 0.09 -0.09 0.44 0.00 0.00 0.00 178.15 178.59 2cqp h ASP 986 N 0.28 0.00 -0.03 1.72 5.19 -1.15 -3.01 116.42 119.43 2cqp h ASP 986 Ca 0.08 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.48 2cqp h ASP 986 Cb 0.02 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.53 2cqp h ASP 986 CO -0.02 0.09 -0.34 0.18 -3.12 0.00 0.00 179.24 176.04 2cqp n LEU 987 N -3.21 2.73 -4.72 1.55 4.77 0.11 -4.99 117.00 113.25 2cqp n LEU 987 Ca 0.01 -3.67 -0.38 0.00 -0.03 0.00 0.00 56.01 51.93 2cqp n LEU 987 Cb 0.38 -0.51 -0.06 0.00 -2.33 0.00 0.00 43.42 40.90 2cqp n LEU 987 CO 0.30 1.21 0.21 0.21 -1.33 0.00 0.00 177.39 178.00 2cqp s ASN 988 N -3.08 6.73 -1.30 -1.43 3.84 0.64 -4.09 114.94 116.24 2cqp s ASN 988 Ca 0.37 0.87 -0.08 0.00 0.21 0.00 0.00 52.86 54.23 2cqp s ASN 988 Cb 0.35 -2.31 0.01 0.00 -0.55 0.00 0.00 41.25 38.75 2cqp s ASN 988 CO -0.04 -0.03 1.13 0.47 -2.79 0.00 0.00 177.10 175.85 2cqp n ASP 989 N 3.76 -5.68 -4.72 -4.21 8.00 -0.69 -4.96 116.55 108.05 2cqp n ASP 989 Ca -0.06 -0.54 -0.40 0.00 0.71 0.00 0.00 54.79 54.50 2cqp n ASP 989 Cb 0.51 -4.94 -0.04 0.00 -0.02 0.00 0.00 41.12 36.63 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 -6.15 4.49 -1.06 -1.24 0.52 -1.19 -4.69 118.95 109.63 2cqp s ARG 990 Ca 0.49 1.09 -0.23 0.00 -0.52 0.00 0.00 55.73 56.55 2cqp s ARG 990 Cb -0.22 -3.43 -0.07 0.00 0.52 0.00 0.00 34.95 31.75 2cqp s ARG 990 CO 0.71 0.07 1.94 -1.25 0.02 0.00 0.00 175.30 176.79 2cqp s PRO 991 N 0.70 2.52 -0.03 3.54 0.04 -1.26 -0.87 135.00 139.63 2cqp s PRO 991 Ca 0.42 -0.79 -0.26 0.00 0.04 0.00 0.00 61.00 60.42 2cqp s PRO 991 Cb -0.19 -5.16 -0.04 0.00 0.04 0.00 0.00 34.50 29.14 2cqp s PRO 991 CO 0.22 -3.73 0.79 0.42 0.04 0.00 0.00 177.00 174.74 2cqp s ILE 992 N 10.64 4.95 0.00 0.56 1.01 0.29 -4.77 121.20 133.87 2cqp s ILE 992 Ca 0.69 1.65 0.00 0.00 0.00 0.00 0.00 60.65 62.99 2cqp s ILE 992 Cb -0.03 -4.13 0.00 0.00 0.01 0.00 0.00 42.46 38.30 2cqp s ILE 992 CO 0.07 0.24 0.00 0.61 0.00 0.00 0.00 174.94 175.86 2cqp n GLY 993 N 2.94 0.28 0.00 6.18 0.00 -1.26 -0.24 105.19 113.09 2cqp n GLY 993 Ca 0.01 0.64 0.00 0.00 0.00 0.00 0.00 46.02 46.67 2cqp n GLY 993 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2cqp n SER 994 N 4.79 0.49 -4.25 1.61 2.88 -1.26 -5.08 113.62 112.80 2cqp n SER 994 Ca 0.00 -0.94 -0.14 0.00 -1.33 0.00 0.00 58.87 56.47 2cqp n SER 994 Cb 0.00 0.05 -0.10 0.00 -0.75 0.00 0.00 64.21 63.41 2cqp n SER 994 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2cqp s ARG 995 N -0.05 1.12 0.06 -1.46 0.52 0.67 -5.13 118.95 114.68 2cqp s ARG 995 Ca 0.00 -1.53 -0.12 0.00 -0.52 0.00 0.00 55.73 53.56 2cqp s ARG 995 Cb 0.00 -0.36 -0.06 0.00 0.52 0.00 0.00 34.95 35.05 2cqp s ARG 995 CO 0.00 -0.09 0.43 0.15 0.02 0.00 0.00 175.30 175.81 2cqp s LYS 996 N -3.88 3.86 0.06 3.54 1.02 -1.26 0.10 119.74 123.19 2cqp s LYS 996 Ca 0.23 0.32 0.01 0.00 0.02 0.00 0.00 55.97 56.55 2cqp s LYS 996 Cb 0.05 -3.06 -0.04 0.00 -0.52 0.00 0.00 37.83 34.26 2cqp s LYS 996 CO 0.04 0.59 0.16 0.14 -0.92 0.00 0.00 175.35 175.36 2cqp s VAL 997 N -1.30 5.09 -0.14 3.17 -7.23 -0.05 -4.59 120.40 115.36 2cqp s VAL 997 Ca 0.31 -0.51 0.01 0.00 -1.81 0.00 0.00 61.98 59.97 2cqp s VAL 997 Cb -0.15 -3.47 -0.00 0.00 0.56 0.00 0.00 36.38 33.31 2cqp s VAL 997 CO 0.17 0.14 -0.16 -0.75 -0.31 0.00 0.00 175.10 174.19 2cqp s LYS 998 N -2.45 3.24 -0.13 4.82 2.36 0.66 -1.71 119.74 126.52 2cqp s LYS 998 Ca 0.33 -0.75 -0.01 0.00 -2.55 0.00 0.00 55.97 52.98 2cqp s LYS 998 Cb -0.13 -2.59 -0.02 0.00 -1.05 0.00 0.00 37.83 34.05 2cqp s LYS 998 CO 0.26 0.08 -0.09 -0.51 1.55 0.00 0.00 175.35 176.64 2cqp s LEU 999 N 0.64 2.97 -0.01 5.43 1.43 -1.26 -1.00 118.68 126.89 2cqp s LEU 999 Ca -0.08 -0.22 0.08 0.00 -1.03 0.00 0.00 54.13 52.88 2cqp s LEU 999 Cb -0.16 -1.69 -0.02 0.00 0.03 0.00 0.00 46.19 44.36 2cqp s LEU 999 CO 0.02 0.19 -0.25 -0.69 0.23 0.00 0.00 176.35 175.85 2cqp s VAL 1000N 0.23 2.00 -0.17 -1.59 1.01 -0.50 -4.96 120.40 116.42 2cqp s VAL 1000Ca -0.06 -1.13 -0.28 0.00 0.00 0.00 0.00 61.98 60.51 2cqp s VAL 1000Cb -0.15 -1.67 -0.00 0.00 0.00 0.00 0.00 36.38 34.56 2cqp s VAL 1000CO 0.04 0.52 0.97 -0.76 0.00 0.00 0.00 175.10 175.87 2cqp s LEU 1001N -0.71 4.17 0.00 3.92 1.43 -1.26 -2.10 118.68 124.13 2cqp s LEU 1001Ca 0.10 1.38 0.00 0.00 -1.03 0.00 0.00 54.13 54.57 2cqp s LEU 1001Cb -0.10 -3.46 0.00 0.00 0.03 0.00 0.00 46.19 42.66 2cqp s LEU 1001CO -0.00 -0.52 0.40 0.61 0.23 0.00 0.00 176.35 177.07 2cqp n GLY 1002N 3.29 -2.93 3.33 -3.19 0.00 0.69 -4.91 105.19 101.46 2cqp n GLY 1002Ca 0.09 0.42 -0.09 0.00 0.00 0.00 0.00 46.02 46.43 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 -2.66 -0.01 0.00 1.61 0.01 -1.26 -5.02 113.70 106.37 2cqp s SER 1003Ca 0.00 -0.71 0.00 0.00 1.31 0.00 0.00 55.95 56.55 2cqp s SER 1003Cb 0.00 0.44 0.00 0.00 0.21 0.00 0.00 66.02 66.67 2cqp s SER 1003CO 0.00 -0.87 0.00 0.61 0.41 0.00 0.00 173.24 173.39 2cqp n GLY 1004N -0.20 0.47 3.77 3.44 0.00 -0.54 -4.73 105.19 107.40 2cqp n GLY 1004Ca -0.10 -1.57 -0.32 0.00 0.00 0.00 0.00 46.02 44.03 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 -1.64 2.45 -0.36 1.61 0.04 -1.26 -4.40 135.00 131.45 2cqp s PRO 1005Ca 0.00 1.25 -0.29 0.00 0.04 0.00 0.00 61.00 62.00 2cqp s PRO 1005Cb 0.00 -1.92 -0.00 0.00 0.04 0.00 0.00 34.50 32.62 2cqp s PRO 1005CO 0.00 -1.50 1.55 0.45 0.04 0.00 0.00 177.00 177.54 2cqp s SER 1006N -3.10 6.21 -0.12 6.66 0.15 -1.26 -4.69 113.70 117.55 2cqp s SER 1006Ca 0.63 1.08 -0.06 0.00 0.70 0.00 0.00 55.95 58.30 2cqp s SER 1006Cb -0.18 -2.53 -0.03 0.00 -1.71 0.00 0.00 66.02 61.56 2cqp s SER 1006CO 0.51 -1.49 -0.01 0.28 1.20 0.00 0.00 173.24 173.73 2cqp h SER 1007N 11.34 0.00 0.00 5.45 0.02 -1.96 -3.52 113.55 124.88 2cqp h SER 1007Ca -0.30 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.57 2cqp h SER 1007Cb 1.13 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.67 2cqp h SER 1007CO 1.06 0.66 0.00 0.61 -1.14 0.00 0.00 176.83 178.01