#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cqp n SER 912 N 0.00 0.87 -4.77 1.61 7.64 -1.26 -5.02 113.62 112.69 2cqp n SER 912 Ca 0.00 0.13 -0.38 0.00 1.01 0.00 0.00 58.87 59.63 2cqp n SER 912 Cb 0.00 -0.31 -0.06 0.00 -1.01 0.00 0.00 64.21 62.83 2cqp n SER 912 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2cqp s SER 913 N -5.77 6.67 0.00 6.43 0.15 -1.26 -4.71 113.70 115.21 2cqp s SER 913 Ca -0.08 0.79 0.00 0.00 0.70 0.00 0.00 55.95 57.37 2cqp s SER 913 Cb 0.02 -2.25 0.00 0.00 -1.71 0.00 0.00 66.02 62.09 2cqp s SER 913 CO 0.10 0.15 0.00 0.61 1.20 0.00 0.00 173.24 175.30 2cqp n GLY 914 N 2.74 0.78 3.76 9.45 0.00 -1.26 -5.08 105.19 115.59 2cqp n GLY 914 Ca -0.11 -0.71 -0.40 0.00 0.00 0.00 0.00 46.02 44.80 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 -1.32 7.23 -0.12 1.61 0.15 -1.26 -4.95 113.70 115.03 2cqp s SER 915 Ca 0.00 2.29 -0.04 0.00 0.70 0.00 0.00 55.95 58.90 2cqp s SER 915 Cb 0.00 -2.63 0.06 0.00 -1.71 0.00 0.00 66.02 61.74 2cqp s SER 915 CO 0.00 -0.17 0.17 -0.55 1.20 0.00 0.00 173.24 173.89 2cqp s SER 916 N -0.88 1.00 -0.10 5.45 0.15 -1.26 -5.05 113.70 113.01 2cqp s SER 916 Ca 0.45 0.15 -0.04 0.00 0.70 0.00 0.00 55.95 57.21 2cqp s SER 916 Cb -0.32 0.27 0.05 0.00 -1.71 0.00 0.00 66.02 64.31 2cqp s SER 916 CO 0.41 -0.27 0.21 -0.83 1.20 0.00 0.00 173.24 173.96 2cqp s GLY 917 N 2.29 -0.04 -1.37 9.45 0.00 -1.26 -4.88 107.32 111.51 2cqp s GLY 917 Ca 0.04 0.75 -0.08 0.00 0.00 0.00 0.00 44.72 45.43 2cqp s GLY 917 CO -0.07 1.69 1.10 0.00 0.00 0.00 0.00 173.10 175.82 2cqp n ALA 918 N 5.14 -1.43 -1.58 3.20 0.00 -1.26 -4.88 120.51 119.70 2cqp n ALA 918 Ca -0.09 0.28 -0.45 0.00 0.00 0.00 0.00 53.44 53.18 2cqp n ALA 918 Cb 0.50 -4.77 -0.02 0.00 0.00 0.00 0.00 19.45 15.17 2cqp n ALA 918 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2cqp n SER 919 N -3.00 1.12 -3.52 0.00 3.41 -1.26 -4.97 113.62 105.40 2cqp n SER 919 Ca -0.04 1.18 -0.04 0.00 -0.26 0.00 0.00 58.87 59.71 2cqp n SER 919 Cb 0.57 -1.26 0.00 0.00 -0.26 0.00 0.00 64.21 63.26 2cqp n SER 919 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2cqp s SER 920 N -0.58 -0.09 -0.05 4.04 1.04 -1.26 -5.17 113.70 111.62 2cqp s SER 920 Ca 0.59 -0.60 0.03 0.00 0.48 0.00 0.00 55.95 56.45 2cqp s SER 920 Cb -0.72 0.54 0.01 0.00 0.10 0.00 0.00 66.02 65.95 2cqp s SER 920 CO 0.60 -1.04 -0.13 -0.83 0.98 0.00 0.00 173.24 172.82 2cqp s GLY 921 N -3.13 0.78 -0.08 7.32 0.00 -1.26 -4.84 107.32 106.12 2cqp s GLY 921 Ca 0.16 -0.46 -0.06 0.00 0.00 0.00 0.00 44.72 44.35 2cqp s GLY 921 CO 0.05 -0.03 0.20 0.54 0.00 0.00 0.00 173.10 173.86 2cqp s LYS 922 N 0.43 0.22 1.22 2.90 1.02 -1.26 -5.17 119.74 119.11 2cqp s LYS 922 Ca -0.10 0.32 -0.21 0.00 0.02 0.00 0.00 55.97 56.00 2cqp s LYS 922 Cb -0.13 0.06 0.30 0.00 -0.52 0.00 0.00 37.83 37.54 2cqp s LYS 922 CO 0.03 -0.06 1.08 -0.35 -0.92 0.00 0.00 175.35 175.14 2cqp n PRO 923 N 3.24 -3.14 0.00 -1.68 -0.04 -1.26 -4.92 135.00 127.20 2cqp n PRO 923 Ca -0.15 -1.74 0.00 0.00 -0.04 0.00 0.00 63.50 61.57 2cqp n PRO 923 Cb 0.57 -1.63 0.00 0.00 -0.04 0.00 0.00 33.50 32.41 2cqp n PRO 923 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2cqp n GLY 924 N -4.72 -1.41 3.64 0.55 0.00 -1.26 -4.98 105.19 97.01 2cqp n GLY 924 Ca 0.15 -1.74 -0.29 0.00 0.00 0.00 0.00 46.02 44.14 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 0.00 -0.35 -0.18 1.61 0.04 -1.26 -5.01 135.00 129.85 2cqp s PRO 925 Ca 0.00 0.25 -0.17 0.00 0.04 0.00 0.00 61.00 61.11 2cqp s PRO 925 Cb 0.00 -1.67 -0.04 0.00 0.04 0.00 0.00 34.50 32.83 2cqp s PRO 925 CO 0.00 -3.20 0.47 0.99 0.04 0.00 0.00 177.00 175.30 2cqp s THR 926 N -2.98 5.16 -0.18 1.26 2.01 0.05 -4.82 115.64 116.14 2cqp s THR 926 Ca 0.68 0.87 -0.12 0.00 0.31 0.00 0.00 61.69 63.43 2cqp s THR 926 Cb -0.15 -3.80 -0.05 0.00 0.01 0.00 0.00 72.50 68.52 2cqp s THR 926 CO 0.57 0.24 0.23 -0.63 -0.69 0.00 0.00 174.62 174.35 2cqp s ILE 927 N 1.24 5.34 0.04 1.82 -1.09 -1.26 0.66 121.20 127.96 2cqp s ILE 927 Ca 0.23 0.41 0.01 0.00 -2.23 0.00 0.00 60.65 59.08 2cqp s ILE 927 Cb -0.15 -3.57 -0.04 0.00 -1.58 0.00 0.00 42.46 37.12 2cqp s ILE 927 CO 0.09 0.41 0.08 -0.63 -1.23 0.00 0.00 174.94 173.66 2cqp s ILE 928 N 0.45 4.63 -0.15 2.92 1.01 0.97 -0.76 121.20 130.27 2cqp s ILE 928 Ca 0.13 -0.58 -0.01 0.00 0.00 0.00 0.00 60.65 60.19 2cqp s ILE 928 Cb -0.12 -3.18 -0.01 0.00 0.01 0.00 0.00 42.46 39.16 2cqp s ILE 928 CO 0.02 0.24 -0.10 -0.54 0.00 0.00 0.00 174.94 174.55 2cqp s LYS 929 N -2.06 3.42 -0.12 2.79 -0.14 -0.11 -2.13 119.74 121.38 2cqp s LYS 929 Ca 0.26 -0.65 0.01 0.00 -1.36 0.00 0.00 55.97 54.23 2cqp s LYS 929 Cb -0.12 -2.74 -0.01 0.00 -1.68 0.00 0.00 37.83 33.29 2cqp s LYS 929 CO 0.18 0.14 -0.17 0.08 -0.76 0.00 0.00 175.35 174.82 2cqp s VAL 930 N 0.57 2.66 0.21 3.17 1.01 0.87 -0.46 120.40 128.43 2cqp s VAL 930 Ca -0.07 -0.80 0.01 0.00 0.00 0.00 0.00 61.98 61.12 2cqp s VAL 930 Cb -0.15 -2.09 -0.05 0.00 0.00 0.00 0.00 36.38 34.09 2cqp s VAL 930 CO 0.03 0.54 0.08 -1.58 0.00 0.00 0.00 175.10 174.17 2cqp s GLN 931 N 0.37 1.25 -0.78 2.72 -0.44 -0.00 -1.13 119.66 121.65 2cqp s GLN 931 Ca -0.14 -1.65 -0.02 0.00 -2.50 0.00 0.00 55.36 51.06 2cqp s GLN 931 Cb -0.17 -0.11 0.00 0.00 -1.64 0.00 0.00 33.01 31.10 2cqp s GLN 931 CO 0.07 -0.27 0.66 -1.71 0.50 0.00 0.00 175.29 174.53 2cqp n ASN 932 N -0.34 -2.87 -4.32 6.67 5.15 -1.10 -0.17 115.26 118.27 2cqp n ASN 932 Ca -0.02 -0.37 -0.34 0.00 -0.60 0.00 0.00 54.58 53.26 2cqp n ASN 932 Cb 0.65 -3.37 -0.14 0.00 -0.53 0.00 0.00 39.78 36.39 2cqp n ASN 932 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 2cqp s MET 933 N -5.15 3.34 0.71 1.20 -1.94 -0.84 -4.04 119.30 112.58 2cqp s MET 933 Ca 0.11 -0.68 -0.13 0.00 -1.71 0.00 0.00 55.69 53.29 2cqp s MET 933 Cb -0.05 -2.77 0.03 0.00 2.01 0.00 0.00 34.83 34.04 2cqp s MET 933 CO 0.46 0.01 1.10 -1.25 -0.01 0.00 0.00 175.02 175.32 2cqp s PRO 934 N 0.89 2.54 0.39 2.03 0.04 -1.26 -3.69 135.00 135.94 2cqp s PRO 934 Ca -0.03 1.28 0.12 0.00 0.04 0.00 0.00 61.00 62.42 2cqp s PRO 934 Cb -0.15 -1.92 0.93 0.00 0.04 0.00 0.00 34.50 33.40 2cqp s PRO 934 CO -0.00 -1.44 1.89 0.74 0.04 0.00 0.00 177.00 178.23 2cqp h PHE 935 N -0.52 0.66 -0.42 0.56 0.04 -1.99 0.85 116.94 116.11 2cqp h PHE 935 Ca -0.45 0.02 0.12 0.00 2.80 0.00 0.00 57.97 60.46 2cqp h PHE 935 Cb 1.24 -0.21 -0.02 0.00 2.20 0.00 0.00 35.95 39.16 2cqp h PHE 935 CO 0.56 0.24 0.47 1.79 -0.60 0.00 0.00 178.31 180.77 2cqp h THR 936 N 0.56 0.34 -3.63 -1.55 1.35 -2.01 -3.42 112.91 104.55 2cqp h THR 936 Ca 0.42 0.00 -0.56 0.00 -0.55 0.00 0.00 66.41 65.72 2cqp h THR 936 Cb 0.81 0.62 0.12 0.00 -1.73 0.00 0.00 68.15 67.97 2cqp h THR 936 CO -0.17 0.00 0.57 0.52 -0.25 0.00 0.00 175.52 176.19 2cqp n VAL 937 N -3.66 2.40 -4.16 6.82 0.31 0.29 -5.01 118.33 115.32 2cqp n VAL 937 Ca 0.08 -0.50 -0.14 0.00 -0.01 0.00 0.00 64.34 63.77 2cqp n VAL 937 Cb 0.65 -1.68 -0.07 0.00 -0.91 0.00 0.00 33.84 31.83 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 -0.42 0.66 0.23 4.52 0.01 -1.26 -5.03 113.70 112.41 2cqp s SER 938 Ca 0.59 -1.43 -0.08 0.00 1.31 0.00 0.00 55.95 56.34 2cqp s SER 938 Cb -0.51 0.52 0.24 0.00 0.21 0.00 0.00 66.02 66.49 2cqp s SER 938 CO 0.60 -1.05 1.87 0.40 0.41 0.00 0.00 173.24 175.47 2cqp h ILE 939 N 2.33 1.12 -0.39 1.44 2.04 -1.99 -0.67 117.51 121.39 2cqp h ILE 939 Ca -0.30 -0.34 -0.02 0.00 1.00 0.00 0.00 64.86 65.19 2cqp h ILE 939 Cb 1.24 0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 37.33 2cqp h ILE 939 CO 0.43 0.18 0.16 -0.78 0.00 0.00 0.00 178.15 178.14 2cqp h ASP 940 N 1.01 0.54 -0.52 1.72 3.58 -1.99 -0.59 116.42 120.17 2cqp h ASP 940 Ca 0.32 -0.16 -0.02 0.00 0.42 0.00 0.00 57.03 57.59 2cqp h ASP 940 Cb 0.01 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 40.90 2cqp h ASP 940 CO -0.11 0.56 0.26 -0.33 -2.88 0.00 0.00 179.24 176.74 2cqp h GLU 941 N 0.49 0.74 -0.01 0.28 5.08 -1.85 -1.07 114.58 118.24 2cqp h GLU 941 Ca 0.13 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2cqp h GLU 941 Cb 0.18 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 2cqp h GLU 941 CO -0.01 0.60 0.00 0.82 -1.00 0.00 0.00 179.01 179.42 2cqp h ILE 942 N 0.69 1.13 -0.87 3.13 2.04 -0.97 0.13 117.51 122.80 2cqp h ILE 942 Ca 0.18 -0.39 0.06 0.00 1.00 0.00 0.00 64.86 65.71 2cqp h ILE 942 Cb 0.09 1.37 -0.06 0.00 -0.74 0.00 0.00 36.82 37.48 2cqp h ILE 942 CO -0.03 0.10 0.54 -0.07 0.00 0.00 0.00 178.15 178.70 2cqp h LEU 943 N -0.14 0.86 -0.71 1.44 3.38 -0.99 -1.37 115.31 117.78 2cqp h LEU 943 Ca 0.00 0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.85 2cqp h LEU 943 Cb 0.16 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 2cqp h LEU 943 CO -0.00 0.56 -0.60 -0.78 0.09 0.00 0.00 178.44 177.71 2cqp h ASP 944 N 1.00 0.18 -0.31 -0.43 3.58 -1.03 -2.94 116.42 116.48 2cqp h ASP 944 Ca 0.37 -0.10 -0.06 0.00 0.42 0.00 0.00 57.03 57.65 2cqp h ASP 944 Cb 0.14 -0.05 -0.02 0.00 1.72 0.00 0.00 39.33 41.11 2cqp h ASP 944 CO -0.16 0.74 -0.01 0.15 -2.88 0.00 0.00 179.24 177.08 2cqp h PHE 945 N 0.12 0.70 -0.47 0.28 3.04 0.32 -2.07 116.94 118.86 2cqp h PHE 945 Ca -0.01 -0.09 0.00 0.00 3.98 0.00 0.00 57.97 61.86 2cqp h PHE 945 Cb 1.09 -0.20 0.00 0.00 2.56 0.00 0.00 35.95 39.40 2cqp h PHE 945 CO 0.01 0.67 0.00 1.19 -2.02 0.00 0.00 178.31 178.16 2cqp n PHE 946 N -4.24 1.37 -1.57 0.41 3.72 -0.75 -4.98 117.46 111.42 2cqp n PHE 946 Ca 0.02 -0.51 -0.42 0.00 -0.05 0.00 0.00 57.45 56.49 2cqp n PHE 946 Cb 0.28 -0.31 0.00 0.00 -0.94 0.00 0.00 39.48 38.51 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 0.65 0.87 0.00 1.38 9.36 -0.78 -2.29 117.16 126.35 2cqp n TYR 947 Ca 0.21 0.61 0.00 0.00 3.32 0.00 0.00 57.90 62.04 2cqp n TYR 947 Cb 0.84 -2.19 0.00 0.00 -0.63 0.00 0.00 39.34 37.37 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 1.32 3.11 3.86 2.98 0.00 -1.26 -5.03 105.19 110.16 2cqp n GLY 948 Ca 0.10 -0.88 -0.33 0.00 0.00 0.00 0.00 46.02 44.91 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 -0.92 3.47 -1.29 1.61 2.02 -0.97 -4.99 117.35 116.27 2cqp s TYR 949 Ca 0.00 1.00 -0.17 0.00 -0.37 0.00 0.00 57.07 57.53 2cqp s TYR 949 Cb 0.00 -2.35 0.09 0.00 -0.40 0.00 0.00 41.96 39.29 2cqp s TYR 949 CO 0.00 0.28 1.71 1.04 -1.57 0.00 0.00 175.55 177.01 2cqp n GLN 950 N 0.09 3.22 -2.38 -0.62 1.13 -1.26 -4.97 117.38 112.59 2cqp n GLN 950 Ca -0.01 -3.35 -0.42 0.00 -1.94 0.00 0.00 57.00 51.28 2cqp n GLN 950 Cb 0.52 -3.41 -0.03 0.00 0.11 0.00 0.00 30.24 27.43 2cqp n GLN 950 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 2cqp s VAL 951 N 3.74 4.10 0.13 5.09 1.01 -1.26 -4.52 120.40 128.67 2cqp s VAL 951 Ca 0.52 1.42 -0.35 0.00 0.00 0.00 0.00 61.98 63.57 2cqp s VAL 951 Cb 0.03 -3.91 -0.14 0.00 0.00 0.00 0.00 36.38 32.35 2cqp s VAL 951 CO 0.06 -0.03 1.54 -0.38 0.00 0.00 0.00 175.10 176.29 2cqp n ILE 952 N 4.77 0.03 -2.21 2.22 5.41 -1.09 -4.91 119.36 123.59 2cqp n ILE 952 Ca 0.12 -0.01 -0.42 0.00 1.00 0.00 0.00 62.75 63.45 2cqp n ILE 952 Cb 0.45 -1.38 -0.03 0.00 -0.71 0.00 0.00 39.64 37.97 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 1.00 4.36 0.00 0.38 0.04 -1.26 -2.61 135.00 136.90 2cqp s PRO 953 Ca 0.81 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.89 2cqp s PRO 953 Cb -0.75 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 30.55 2cqp s PRO 953 CO 0.41 -0.35 0.00 0.41 0.04 0.00 0.00 177.00 177.51 2cqp n GLY 954 N 3.07 1.33 0.14 0.56 0.00 -1.26 -4.92 105.19 104.11 2cqp n GLY 954 Ca 0.09 0.00 -0.11 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 -0.21 0.00 1.61 4.64 -1.86 -3.44 113.55 114.29 2cqp h SER 955 Ca 0.00 -0.32 -0.46 0.00 -0.47 0.00 0.00 61.79 60.54 2cqp h SER 955 Cb 0.00 0.05 -0.06 0.00 -0.31 0.00 0.00 62.40 62.09 2cqp h SER 955 CO 0.00 0.33 1.25 0.52 -0.87 0.00 0.00 176.83 178.06 2cqp n VAL 956 N -4.95 0.00 -3.98 0.95 0.31 -1.25 -4.58 118.33 104.84 2cqp n VAL 956 Ca -0.08 0.00 -0.34 0.00 -0.01 0.00 0.00 64.34 63.92 2cqp n VAL 956 Cb 0.26 -0.39 -0.14 0.00 -0.91 0.00 0.00 33.84 32.66 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 4.48 -0.12 0.00 1.43 -1.26 -1.79 118.68 122.64 2cqp s LEU 958 Ca -0.06 1.81 -0.17 0.00 -1.03 0.00 0.00 54.13 54.68 2cqp s LEU 958 Cb -0.19 -3.59 -0.04 0.00 0.03 0.00 0.00 46.19 42.40 2cqp s LEU 958 CO -0.03 -0.10 0.44 -0.75 0.23 0.00 0.00 176.35 176.13 2cqp s LYS 959 N 0.09 4.31 0.27 1.70 2.47 -0.74 -5.01 119.74 122.82 2cqp s LYS 959 Ca 0.48 0.38 0.12 0.00 -1.56 0.00 0.00 55.97 55.39 2cqp s LYS 959 Cb -0.24 -3.42 -0.05 0.00 -1.46 0.00 0.00 37.83 32.66 2cqp s LYS 959 CO 0.30 0.20 -0.20 0.71 0.16 0.00 0.00 175.35 176.52 2cqp s TYR 960 N 0.51 2.28 0.52 4.03 2.02 -1.26 -1.81 117.35 123.64 2cqp s TYR 960 Ca 0.24 -0.34 0.08 0.00 -0.37 0.00 0.00 57.07 56.69 2cqp s TYR 960 Cb -0.15 -1.00 0.05 0.00 -0.40 0.00 0.00 41.96 40.46 2cqp s TYR 960 CO 0.09 0.69 0.63 0.54 -1.57 0.00 0.00 175.55 175.93 2cqp s ASN 961 N -3.41 5.09 0.56 2.29 2.20 -0.14 -4.86 114.94 116.66 2cqp s ASN 961 Ca 0.29 -0.85 0.33 0.00 -0.94 0.00 0.00 52.86 51.69 2cqp s ASN 961 Cb -0.05 0.07 1.48 0.00 -2.00 0.00 0.00 41.25 40.75 2cqp s ASN 961 CO 0.14 -1.12 1.81 1.05 -2.94 0.00 0.00 177.10 176.04 2cqp h GLU 962 N 0.47 0.00 -0.08 3.55 4.11 -2.02 0.74 114.58 121.35 2cqp h GLU 962 Ca -0.34 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 58.94 2cqp h GLU 962 Cb 1.29 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.53 2cqp h GLU 962 CO 0.47 0.00 -0.58 0.87 0.07 0.00 0.00 179.01 179.84 2cqp h LYS 963 N 0.00 0.26 0.00 1.06 1.79 -2.04 -3.47 116.57 114.18 2cqp h LYS 963 Ca 0.46 -0.17 0.00 0.00 -2.18 0.00 0.00 60.65 58.76 2cqp h LYS 963 Cb 1.98 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 32.65 2cqp h LYS 963 CO -0.00 0.77 0.00 0.41 -1.08 0.00 0.00 179.45 179.54 2cqp n GLY 964 N 0.22 0.77 3.97 3.86 0.00 0.26 -5.11 105.19 109.15 2cqp n GLY 964 Ca -0.02 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.78 2cqp n GLY 964 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2cqp s MET 965 N -0.48 3.34 0.20 1.61 0.23 -1.26 -4.73 119.30 118.22 2cqp s MET 965 Ca 0.00 -0.71 -0.30 0.00 -1.03 0.00 0.00 55.69 53.65 2cqp s MET 965 Cb 0.00 -2.80 -0.09 0.00 -1.53 0.00 0.00 34.83 30.41 2cqp s MET 965 CO 0.00 0.23 1.30 -1.25 -2.03 0.00 0.00 175.02 173.27 2cqp s PRO 966 N -4.14 4.39 -0.10 3.16 0.04 -1.26 -0.97 135.00 136.12 2cqp s PRO 966 Ca 0.39 2.05 0.12 0.00 0.04 0.00 0.00 61.00 63.59 2cqp s PRO 966 Cb -0.09 -3.20 0.51 0.00 0.04 0.00 0.00 34.50 31.76 2cqp s PRO 966 CO 0.32 -0.25 1.36 0.25 0.04 0.00 0.00 177.00 178.72 2cqp n THR 967 N 2.63 1.40 -1.28 1.26 -2.24 -0.75 -4.87 114.28 110.42 2cqp n THR 967 Ca 0.06 -0.84 -0.04 0.00 -2.27 0.00 0.00 64.05 60.96 2cqp n THR 967 Cb 0.43 -0.08 -0.01 0.00 -2.10 0.00 0.00 70.33 68.57 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 0.78 0.60 3.31 3.38 0.00 -1.24 -4.83 105.19 107.19 2cqp n GLY 968 Ca 0.18 -0.87 -0.28 0.00 0.00 0.00 0.00 46.02 45.05 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 -2.65 1.60 -0.01 1.61 2.02 -1.26 -1.99 118.70 118.02 2cqp s GLU 969 Ca 0.00 -1.06 -0.16 0.00 0.02 0.00 0.00 54.97 53.77 2cqp s GLU 969 Cb 0.00 -1.78 0.03 0.00 0.10 0.00 0.00 34.13 32.48 2cqp s GLU 969 CO 0.00 0.45 0.33 0.00 0.02 0.00 0.00 175.26 176.06 2cqp s ALA 970 N -0.83 -0.83 -0.01 5.21 0.00 -0.28 -1.78 121.76 123.24 2cqp s ALA 970 Ca 0.10 0.35 0.04 0.00 0.00 0.00 0.00 51.96 52.45 2cqp s ALA 970 Cb -0.10 0.09 -0.01 0.00 0.00 0.00 0.00 23.12 23.11 2cqp s ALA 970 CO 0.02 -0.28 -0.13 -1.64 0.00 0.00 0.00 175.76 173.73 2cqp s MET 971 N -1.42 1.07 0.17 0.00 -1.94 -0.74 -0.09 119.30 116.34 2cqp s MET 971 Ca -0.13 -0.50 0.00 0.00 -1.71 0.00 0.00 55.69 53.36 2cqp s MET 971 Cb -0.05 -1.03 -0.04 0.00 2.01 0.00 0.00 34.83 35.72 2cqp s MET 971 CO 0.04 0.28 0.05 0.14 -0.01 0.00 0.00 175.02 175.52 2cqp s VAL 972 N -0.35 0.35 0.11 -6.03 -7.23 -0.91 -0.41 120.40 105.92 2cqp s VAL 972 Ca 0.05 -1.95 0.09 0.00 -1.81 0.00 0.00 61.98 58.36 2cqp s VAL 972 Cb -0.05 -2.17 -0.04 0.00 0.56 0.00 0.00 36.38 34.68 2cqp s VAL 972 CO -0.00 -0.38 -0.23 0.00 -0.31 0.00 0.00 175.10 174.18 2cqp s ALA 973 N -3.88 1.98 0.00 1.32 0.00 -1.26 -0.02 121.76 119.90 2cqp s ALA 973 Ca 0.27 -1.30 0.05 0.00 0.00 0.00 0.00 51.96 50.97 2cqp s ALA 973 Cb 0.07 -0.30 -0.01 0.00 0.00 0.00 0.00 23.12 22.88 2cqp s ALA 973 CO 0.05 0.42 -0.15 -0.06 0.00 0.00 0.00 175.76 176.02 2cqp s PHE 974 N -1.10 1.31 0.09 0.00 0.40 0.21 -2.68 117.98 116.21 2cqp s PHE 974 Ca 0.09 -0.28 -0.09 0.00 -0.60 0.00 0.00 56.93 56.05 2cqp s PHE 974 Cb -0.10 -0.82 -0.21 0.00 0.51 0.00 0.00 43.02 42.39 2cqp s PHE 974 CO 0.05 -0.00 1.19 0.93 0.70 0.00 0.00 175.22 178.08 2cqp h GLU 975 N 5.53 0.49 -5.43 0.44 4.39 -1.87 0.18 114.58 118.31 2cqp h GLU 975 Ca -0.36 -0.62 -0.63 0.00 0.34 0.00 0.00 59.36 58.09 2cqp h GLU 975 Cb 1.16 0.20 -0.16 0.00 -0.10 0.00 0.00 28.75 29.85 2cqp h GLU 975 CO 0.47 1.25 -0.59 -1.12 -1.16 0.00 0.00 179.01 177.86 2cqp s SER 976 N -7.25 5.44 0.05 1.42 0.01 -1.26 -4.79 113.70 107.32 2cqp s SER 976 Ca -0.07 0.07 -0.25 0.00 1.31 0.00 0.00 55.95 57.02 2cqp s SER 976 Cb 0.07 -1.85 -0.17 0.00 0.21 0.00 0.00 66.02 64.28 2cqp s SER 976 CO 0.90 0.22 1.55 -0.09 0.41 0.00 0.00 173.24 176.24 2cqp h ARG 977 N 6.32 -0.11 -0.54 12.44 1.12 -1.98 -2.14 114.38 129.49 2cqp h ARG 977 Ca -0.39 0.01 0.08 0.00 -1.11 0.00 0.00 59.98 58.57 2cqp h ARG 977 Cb 1.18 0.03 -0.03 0.00 -0.01 0.00 0.00 29.97 31.13 2cqp h ARG 977 CO 0.66 0.07 0.36 0.22 -3.11 0.00 0.00 179.97 178.17 2cqp h ASP 978 N -0.28 0.35 -0.28 -3.80 1.82 -2.00 -1.71 116.42 110.52 2cqp h ASP 978 Ca -0.01 0.00 -0.06 0.00 -0.39 0.00 0.00 57.03 56.57 2cqp h ASP 978 Cb 0.24 -0.07 -0.01 0.00 0.68 0.00 0.00 39.33 40.17 2cqp h ASP 978 CO 0.02 0.22 -0.08 -0.33 -1.61 0.00 0.00 179.24 177.46 2cqp h GLU 979 N 0.39 0.55 -0.10 0.28 3.07 -1.91 -1.41 114.58 115.46 2cqp h GLU 979 Ca 0.24 -0.21 0.02 0.00 -0.50 0.00 0.00 59.36 58.91 2cqp h GLU 979 Cb 0.44 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.31 2cqp h GLU 979 CO -0.06 0.76 -0.02 0.00 -1.40 0.00 0.00 179.01 178.28 2cqp h ALA 980 N 0.77 0.06 -0.51 3.43 0.00 -0.67 0.97 119.26 123.33 2cqp h ALA 980 Ca 0.07 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 2cqp h ALA 980 Cb 0.56 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 2cqp h ALA 980 CO 0.03 -0.49 0.23 1.15 0.00 0.00 0.00 179.25 180.18 2cqp h THR 981 N 0.00 1.20 -0.85 0.00 2.02 -1.44 -2.11 112.91 111.73 2cqp h THR 981 Ca 0.05 -0.58 -0.03 0.00 0.77 0.00 0.00 66.41 66.62 2cqp h THR 981 Cb 0.07 0.64 -0.04 0.00 -1.74 0.00 0.00 68.15 67.08 2cqp h THR 981 CO -0.10 0.23 0.43 0.00 0.37 0.00 0.00 175.52 176.45 2cqp h ALA 982 N 1.08 1.10 -0.77 6.16 0.00 -0.97 -0.74 119.26 125.11 2cqp h ALA 982 Ca 0.17 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 2cqp h ALA 982 Cb 0.14 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 2cqp h ALA 982 CO -0.02 0.64 0.30 0.00 0.00 0.00 0.00 179.25 180.17 2cqp h ALA 983 N 1.23 1.08 0.01 0.00 0.00 -0.53 0.29 119.26 121.35 2cqp h ALA 983 Ca 0.30 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 2cqp h ALA 983 Cb 0.08 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.57 2cqp h ALA 983 CO -0.04 0.65 -0.01 0.28 0.00 0.00 0.00 179.25 180.13 2cqp h VAL 984 N 1.12 1.36 -0.37 0.00 2.07 -0.99 0.55 116.25 120.00 2cqp h VAL 984 Ca 0.26 -1.14 -0.03 0.00 0.82 0.00 0.00 66.70 66.60 2cqp h VAL 984 Cb 0.22 2.14 -0.02 0.00 -1.52 0.00 0.00 31.29 32.11 2cqp h VAL 984 CO -0.02 0.29 0.12 0.40 0.02 0.00 0.00 177.57 178.38 2cqp h ILE 985 N -0.51 1.21 0.00 4.57 2.04 -1.07 1.85 117.51 125.60 2cqp h ILE 985 Ca -0.00 -0.68 -0.06 0.00 1.00 0.00 0.00 64.86 65.11 2cqp h ILE 985 Cb 0.49 0.96 -0.01 0.00 -0.74 0.00 0.00 36.82 37.53 2cqp h ILE 985 CO 0.00 0.24 -0.31 -0.78 0.00 0.00 0.00 178.15 177.30 2cqp h ASP 986 N 0.44 0.00 -0.22 1.72 3.58 -0.48 -3.08 116.42 118.39 2cqp h ASP 986 Ca 0.12 0.00 -0.17 0.00 0.42 0.00 0.00 57.03 57.40 2cqp h ASP 986 Cb 0.25 0.00 -0.16 0.00 1.72 0.00 0.00 39.33 41.14 2cqp h ASP 986 CO -0.00 0.31 -0.65 0.18 -2.88 0.00 0.00 179.24 176.19 2cqp n LEU 987 N -3.65 3.14 -4.73 2.28 4.77 0.18 -5.02 117.00 113.98 2cqp n LEU 987 Ca -0.01 -3.95 -0.40 0.00 -0.03 0.00 0.00 56.01 51.62 2cqp n LEU 987 Cb 0.42 -0.40 -0.05 0.00 -2.33 0.00 0.00 43.42 41.07 2cqp n LEU 987 CO 0.35 1.51 0.44 0.21 -1.33 0.00 0.00 177.39 178.58 2cqp s ASN 988 N -3.26 7.08 -1.42 -1.43 3.84 0.62 -3.94 114.94 116.44 2cqp s ASN 988 Ca 0.41 1.30 -0.08 0.00 0.21 0.00 0.00 52.86 54.70 2cqp s ASN 988 Cb 0.38 -2.44 0.04 0.00 -0.55 0.00 0.00 41.25 38.68 2cqp s ASN 988 CO -0.05 -0.09 0.93 0.47 -2.79 0.00 0.00 177.10 175.58 2cqp n ASP 989 N 3.50 -3.82 -4.74 -4.21 8.00 -0.99 -4.94 116.55 109.36 2cqp n ASP 989 Ca -0.01 -0.75 -0.40 0.00 0.71 0.00 0.00 54.79 54.34 2cqp n ASP 989 Cb 0.51 -4.18 -0.05 0.00 -0.02 0.00 0.00 41.12 37.38 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 -6.31 4.50 -0.89 -1.24 0.52 -1.22 -4.71 118.95 109.60 2cqp s ARG 990 Ca 0.42 1.08 -0.25 0.00 -0.52 0.00 0.00 55.73 56.47 2cqp s ARG 990 Cb -0.20 -3.38 -0.05 0.00 0.52 0.00 0.00 34.95 31.84 2cqp s ARG 990 CO 0.80 0.22 1.94 -1.25 0.02 0.00 0.00 175.30 177.04 2cqp s PRO 991 N 0.16 2.56 -0.16 3.54 0.04 -1.26 -1.12 135.00 138.75 2cqp s PRO 991 Ca 0.40 -0.25 -0.20 0.00 0.04 0.00 0.00 61.00 61.00 2cqp s PRO 991 Cb -0.20 -5.03 -0.03 0.00 0.04 0.00 0.00 34.50 29.28 2cqp s PRO 991 CO 0.23 -3.34 0.56 0.42 0.04 0.00 0.00 177.00 174.90 2cqp s ILE 992 N 10.03 5.10 0.00 0.56 1.01 0.24 -4.81 121.20 133.33 2cqp s ILE 992 Ca 0.70 1.07 0.00 0.00 0.00 0.00 0.00 60.65 62.42 2cqp s ILE 992 Cb -0.07 -3.89 0.00 0.00 0.01 0.00 0.00 42.46 38.52 2cqp s ILE 992 CO 0.00 0.21 0.00 0.61 0.00 0.00 0.00 174.94 175.76 2cqp n GLY 993 N 3.60 0.24 0.00 6.18 0.00 -1.26 -0.68 105.19 113.27 2cqp n GLY 993 Ca -0.04 0.69 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 1.44 0.00 0.00 0.00 173.32 174.76 2cqp n SER 994 N 4.23 0.30 -4.22 1.61 7.64 -1.26 -5.08 113.62 116.84 2cqp n SER 994 Ca 0.00 -0.76 -0.13 0.00 1.01 0.00 0.00 58.87 58.99 2cqp n SER 994 Cb 0.00 0.13 -0.10 0.00 -1.01 0.00 0.00 64.21 63.23 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 -0.13 1.00 0.10 1.43 0.52 0.15 -5.13 118.95 116.88 2cqp s ARG 995 Ca 0.00 -1.44 -0.17 0.00 -0.52 0.00 0.00 55.73 53.61 2cqp s ARG 995 Cb 0.00 -0.38 -0.07 0.00 0.52 0.00 0.00 34.95 35.02 2cqp s ARG 995 CO 0.00 -0.02 0.55 0.15 0.02 0.00 0.00 175.30 176.00 2cqp s LYS 996 N -3.82 4.08 0.06 3.54 1.02 -1.26 0.79 119.74 124.14 2cqp s LYS 996 Ca 0.17 0.60 -0.00 0.00 0.02 0.00 0.00 55.97 56.76 2cqp s LYS 996 Cb 0.05 -3.09 -0.04 0.00 -0.52 0.00 0.00 37.83 34.22 2cqp s LYS 996 CO -0.00 0.57 0.21 0.14 -0.92 0.00 0.00 175.35 175.34 2cqp s VAL 997 N -1.27 5.39 -0.17 3.17 -7.23 -0.27 -4.65 120.40 115.36 2cqp s VAL 997 Ca 0.33 -0.37 -0.02 0.00 -1.81 0.00 0.00 61.98 60.11 2cqp s VAL 997 Cb -0.17 -3.62 -0.01 0.00 0.56 0.00 0.00 36.38 33.13 2cqp s VAL 997 CO 0.19 0.15 -0.09 -0.75 -0.31 0.00 0.00 175.10 174.28 2cqp s LYS 998 N -2.47 3.38 -0.16 4.82 2.47 0.75 -2.34 119.74 126.19 2cqp s LYS 998 Ca 0.35 -0.66 -0.03 0.00 -1.56 0.00 0.00 55.97 54.07 2cqp s LYS 998 Cb -0.13 -2.79 -0.02 0.00 -1.46 0.00 0.00 37.83 33.43 2cqp s LYS 998 CO 0.27 0.04 -0.07 -0.51 0.16 0.00 0.00 175.35 175.25 2cqp s LEU 999 N 0.82 3.01 -0.04 5.43 1.43 -1.26 -0.82 118.68 127.25 2cqp s LEU 999 Ca -0.03 -0.25 0.06 0.00 -1.03 0.00 0.00 54.13 52.88 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 -0.22 -0.69 0.23 0.00 0.00 176.35 175.81 2cqp s VAL 1000N 0.59 1.78 -0.02 -1.59 1.01 0.39 -4.95 120.40 117.60 2cqp s VAL 1000Ca -0.04 -0.93 -0.30 0.00 0.00 0.00 0.00 61.98 60.70 2cqp s VAL 1000Cb -0.15 -1.50 -0.03 0.00 0.00 0.00 0.00 36.38 34.70 2cqp s VAL 1000CO 0.03 0.50 1.09 -0.76 0.00 0.00 0.00 175.10 175.96 2cqp s LEU 1001N -0.26 4.32 0.00 3.92 1.43 -1.26 -0.93 118.68 125.90 2cqp s LEU 1001Ca 0.01 1.76 0.00 0.00 -1.03 0.00 0.00 54.13 54.87 2cqp s LEU 1001Cb -0.11 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.54 2cqp s LEU 1001CO 0.01 -0.43 0.61 0.61 0.23 0.00 0.00 176.35 177.38 2cqp n GLY 1002N 3.13 -3.01 3.44 -3.19 0.00 0.06 -4.80 105.19 100.82 2cqp n GLY 1002Ca 0.08 0.17 -0.31 0.00 0.00 0.00 0.00 46.02 45.96 2cqp n GLY 1002CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cqp s SER 1003N -2.23 3.74 0.00 1.61 0.15 -1.26 -4.93 113.70 110.78 2cqp s SER 1003Ca 0.00 -0.41 0.00 0.00 0.70 0.00 0.00 55.95 56.24 2cqp s SER 1003Cb 0.00 -0.61 0.00 0.00 -1.71 0.00 0.00 66.02 63.70 2cqp s SER 1003CO 0.00 0.27 0.00 0.61 1.20 0.00 0.00 173.24 175.32 2cqp n GLY 1004N 1.74 -1.11 0.08 9.45 0.00 -1.26 -4.86 105.19 109.23 2cqp n GLY 1004Ca -0.16 -2.12 0.10 0.00 0.00 0.00 0.00 46.02 43.84 2cqp n GLY 1004CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2cqp n PRO 1005N 0.00 0.11 -2.29 1.61 -0.04 -1.26 -5.00 135.00 128.13 2cqp n PRO 1005Ca 0.00 0.36 -0.43 0.00 -0.04 0.00 0.00 63.50 63.39 2cqp n PRO 1005Cb 0.00 -1.72 -0.02 0.00 -0.04 0.00 0.00 33.50 31.72 2cqp n PRO 1005CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2cqp s SER 1006N -3.72 6.80 -0.41 3.54 1.04 -1.26 -4.97 113.70 114.72 2cqp s SER 1006Ca 0.05 1.77 0.01 0.00 0.48 0.00 0.00 55.95 58.27 2cqp s SER 1006Cb 0.09 -2.54 0.14 0.00 0.10 0.00 0.00 66.02 63.82 2cqp s SER 1006CO 0.33 -0.88 0.24 -0.55 0.98 0.00 0.00 173.24 173.37 2cqp s SER 1007N 2.60 3.19 0.00 7.02 0.15 -1.26 -5.09 113.70 120.30 2cqp s SER 1007Ca 0.61 -2.52 0.00 0.00 0.70 0.00 0.00 55.95 54.74 2cqp s SER 1007Cb -0.24 -0.73 0.00 0.00 -1.71 0.00 0.00 66.02 63.34 2cqp s SER 1007CO 0.20 -0.27 0.50 0.61 1.20 0.00 0.00 173.24 175.49