#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oqk n HIS 10 N 0.00 0.00 -2.33 -1.55 8.25 -1.26 -5.00 115.22 113.33 1oqk n HIS 10 Ca 0.00 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.09 1oqk n HIS 10 Cb 0.00 -0.68 -0.02 0.00 1.12 0.00 0.00 29.99 30.41 1oqk n HIS 10 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1oqk s GLU 11 N -2.35 3.85 0.00 -0.41 0.41 -1.26 -4.78 118.70 114.16 1oqk s GLU 11 Ca -0.23 1.70 0.00 0.00 -0.41 0.00 0.00 54.97 56.03 1oqk s GLU 11 Cb 0.06 -2.42 0.00 0.00 -1.78 0.00 0.00 34.13 29.99 1oqk s GLU 11 CO 0.41 -0.46 0.00 -0.11 -0.49 0.00 0.00 175.26 174.62 1oqk n LEU 12 N -0.41 0.00 -4.47 1.80 7.94 -1.26 -5.15 117.00 115.44 1oqk n LEU 12 Ca 0.07 0.00 -0.34 0.00 -1.11 0.00 0.00 56.01 54.63 1oqk n LEU 12 Cb 0.49 0.00 0.11 0.00 0.53 0.00 0.00 43.42 44.54 1oqk n LEU 12 CO 0.47 0.00 0.09 -0.38 -1.11 0.00 0.00 177.39 176.46 1oqk n ILE 13 N -0.34 0.76 -0.14 1.96 5.41 -1.26 -3.24 119.36 122.51 1oqk n ILE 13 Ca 0.00 -0.24 0.00 0.00 1.00 0.00 0.00 62.75 63.51 1oqk n ILE 13 Cb 0.00 -0.74 0.00 0.00 -0.71 0.00 0.00 39.64 38.19 1oqk n ILE 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1oqk n GLY 14 N 1.38 1.04 3.97 7.39 0.00 -1.26 -5.05 105.19 112.65 1oqk n GLY 14 Ca 0.09 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.89 1oqk n GLY 14 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1oqk s LEU 15 N 0.00 4.02 0.18 0.99 1.43 -1.20 -4.90 118.68 119.20 1oqk s LEU 15 Ca 0.00 0.12 -0.06 0.00 -1.03 0.00 0.00 54.13 53.16 1oqk s LEU 15 Cb 0.00 -2.99 -0.06 0.00 0.03 0.00 0.00 46.19 43.17 1oqk s LEU 15 CO 0.00 -0.35 0.44 -0.94 0.23 0.00 0.00 176.35 175.73 1oqk s SER 16 N -4.10 6.52 -0.12 2.29 1.04 -0.76 -1.04 113.70 117.54 1oqk s SER 16 Ca 0.41 0.69 -0.06 0.00 0.48 0.00 0.00 55.95 57.47 1oqk s SER 16 Cb -0.09 -2.13 0.05 0.00 0.10 0.00 0.00 66.02 63.95 1oqk s SER 16 CO 0.33 -0.01 0.27 0.54 0.98 0.00 0.00 173.24 175.34 1oqk s VAL 17 N -1.76 -0.10 -0.06 5.02 0.11 1.00 0.04 120.40 124.65 1oqk s VAL 17 Ca 0.43 0.16 0.04 0.00 -2.93 0.00 0.00 61.98 59.68 1oqk s VAL 17 Cb -0.12 -0.41 -0.02 0.00 -1.53 0.00 0.00 36.38 34.30 1oqk s VAL 17 CO 0.24 0.07 -0.17 -0.13 -3.33 0.00 0.00 175.10 171.78 1oqk s ARG 18 N 1.45 2.57 -0.17 1.54 0.52 -0.66 -1.78 118.95 122.42 1oqk s ARG 18 Ca -0.08 -0.74 -0.10 0.00 -0.52 0.00 0.00 55.73 54.28 1oqk s ARG 18 Cb -0.10 -2.35 -0.05 0.00 0.52 0.00 0.00 34.95 32.97 1oqk s ARG 18 CO -0.09 0.54 0.18 0.42 0.02 0.00 0.00 175.30 176.37 1oqk s ILE 19 N -0.53 5.39 -0.16 1.52 1.09 -0.11 -1.57 121.20 126.84 1oqk s ILE 19 Ca 0.07 0.30 0.18 0.00 -1.10 0.00 0.00 60.65 60.10 1oqk s ILE 19 Cb -0.11 -3.50 -0.25 0.00 -1.06 0.00 0.00 42.46 37.53 1oqk s ILE 19 CO 0.01 0.47 0.13 0.00 -0.10 0.00 0.00 174.94 175.45 1oqk n ALA 20 N 3.15 1.73 -3.64 9.38 0.00 0.07 -3.97 120.51 127.23 1oqk n ALA 20 Ca -0.16 -1.14 -0.08 0.00 0.00 0.00 0.00 53.44 52.06 1oqk n ALA 20 Cb 0.53 -0.25 -0.08 0.00 0.00 0.00 0.00 19.45 19.65 1oqk n ALA 20 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1oqk s ARG 21 N -2.62 0.67 0.19 0.00 0.52 -1.20 -4.57 118.95 111.94 1oqk s ARG 21 Ca -0.09 1.13 0.09 0.00 -0.52 0.00 0.00 55.73 56.34 1oqk s ARG 21 Cb 0.07 0.14 -0.04 0.00 0.52 0.00 0.00 34.95 35.63 1oqk s ARG 21 CO 0.80 -0.15 -0.17 0.45 0.02 0.00 0.00 175.30 176.25 1oqk s SER 22 N 1.48 2.76 0.57 0.23 0.15 -1.26 0.24 113.70 117.87 1oqk s SER 22 Ca -0.09 -0.94 0.26 0.00 0.70 0.00 0.00 55.95 55.89 1oqk s SER 22 Cb -0.05 -0.17 1.63 0.00 -1.71 0.00 0.00 66.02 65.72 1oqk s SER 22 CO -0.17 -0.07 2.17 1.62 1.20 0.00 0.00 173.24 177.99 1oqk h VAL 23 N 2.89 0.62 -3.27 4.45 3.04 -1.48 -3.39 116.25 119.11 1oqk h VAL 23 Ca -0.41 0.00 -0.58 0.00 -1.01 0.00 0.00 66.70 64.70 1oqk h VAL 23 Cb 1.22 0.93 -0.35 0.00 -2.01 0.00 0.00 31.29 31.08 1oqk h VAL 23 CO 0.56 0.00 -0.83 -1.00 -1.01 0.00 0.00 177.57 175.29 1oqk s HIS 24 N -4.75 1.94 0.64 3.17 3.76 -1.26 -5.00 115.29 113.79 1oqk s HIS 24 Ca -0.05 -0.91 0.36 0.00 -0.15 0.00 0.00 55.06 54.31 1oqk s HIS 24 Cb 0.16 -1.41 2.03 0.00 1.11 0.00 0.00 32.58 34.47 1oqk s HIS 24 CO 0.58 -0.47 2.21 -0.09 -0.85 0.00 0.00 174.74 176.12 1oqk h ARG 25 N 7.44 0.00 0.00 1.40 2.43 -1.93 0.10 114.38 123.83 1oqk h ARG 25 Ca -0.31 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 58.84 1oqk h ARG 25 Cb 1.17 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.72 1oqk h ARG 25 CO 0.49 0.00 -0.09 -0.44 -1.51 0.00 0.00 179.97 178.41 1oqk h ASP 26 N 0.00 0.00 0.00 -3.80 5.19 -1.95 -3.01 116.42 112.85 1oqk h ASP 26 Ca 0.02 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.42 1oqk h ASP 26 Cb 0.24 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.75 1oqk h ASP 26 CO -0.00 0.09 -1.26 -0.38 -3.12 0.00 0.00 179.24 174.58 1oqk n ILE 27 N -3.72 0.02 -1.53 0.35 2.08 -0.06 -5.02 119.36 111.47 1oqk n ILE 27 Ca -0.02 -0.13 -0.37 0.00 0.56 0.00 0.00 62.75 62.79 1oqk n ILE 27 Cb 0.20 0.31 0.07 0.00 -0.75 0.00 0.00 39.64 39.46 1oqk n ILE 27 CO 0.00 0.00 0.00 1.67 0.56 0.00 0.00 176.55 178.78 1oqk n GLN 28 N -1.72 0.75 -0.92 0.38 7.27 0.17 -2.00 117.38 121.30 1oqk n GLN 28 Ca -0.01 0.30 0.00 0.00 0.07 0.00 0.00 57.00 57.36 1oqk n GLN 28 Cb 0.17 -2.19 0.00 0.00 2.41 0.00 0.00 30.24 30.63 1oqk n GLN 28 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1oqk n GLY 29 N 1.24 0.53 3.80 1.69 0.00 -1.25 -4.95 105.19 106.23 1oqk n GLY 29 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 1oqk n GLY 29 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1oqk s ILE 30 N -2.40 3.73 -0.14 -0.61 2.07 -0.85 -4.86 121.20 118.14 1oqk s ILE 30 Ca 0.00 0.84 -0.14 0.00 -1.41 0.00 0.00 60.65 59.94 1oqk s ILE 30 Cb 0.00 -3.35 0.04 0.00 0.13 0.00 0.00 42.46 39.27 1oqk s ILE 30 CO 0.00 -0.46 0.40 -0.44 -1.91 0.00 0.00 174.94 172.53 1oqk s SER 31 N -2.68 -0.41 0.00 4.50 0.01 -1.26 -0.93 113.70 112.93 1oqk s SER 31 Ca 0.64 0.76 0.00 0.00 1.31 0.00 0.00 55.95 58.66 1oqk s SER 31 Cb -0.17 0.78 0.00 0.00 0.21 0.00 0.00 66.02 66.84 1oqk s SER 31 CO 0.36 -0.17 0.00 0.61 0.41 0.00 0.00 173.24 174.45 1oqk n GLY 32 N 2.71 -0.67 4.01 3.44 0.00 -0.73 -5.03 105.19 108.92 1oqk n GLY 32 Ca -0.14 -0.73 -0.18 0.00 0.00 0.00 0.00 46.02 44.98 1oqk n GLY 32 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1oqk s ARG 33 N -0.39 2.68 0.18 1.61 3.52 -1.26 -0.00 118.95 125.29 1oqk s ARG 33 Ca 0.00 -1.24 0.03 0.00 -0.13 0.00 0.00 55.73 54.40 1oqk s ARG 33 Cb 0.00 -2.70 -0.03 0.00 -1.56 0.00 0.00 34.95 30.66 1oqk s ARG 33 CO 0.00 -0.45 0.29 0.54 -0.81 0.00 0.00 175.30 174.88 1oqk s VAL 34 N -2.47 5.23 0.00 7.11 0.11 0.63 -0.21 120.40 130.80 1oqk s VAL 34 Ca 0.57 -0.81 0.00 0.00 -2.93 0.00 0.00 61.98 58.81 1oqk s VAL 34 Cb -0.09 -3.74 0.00 0.00 -1.53 0.00 0.00 36.38 31.02 1oqk s VAL 34 CO 0.35 -0.16 0.00 0.55 -3.33 0.00 0.00 175.10 172.51 1oqk n VAL 35 N -0.78 0.00 -3.48 2.04 3.14 -0.13 -2.08 118.33 117.05 1oqk n VAL 35 Ca -0.08 0.00 -0.13 0.00 -2.96 0.00 0.00 64.34 61.17 1oqk n VAL 35 Cb 0.55 -0.67 -0.04 0.00 -1.06 0.00 0.00 33.84 32.63 1oqk n VAL 35 CO 0.00 0.00 0.00 -1.81 -6.46 0.00 0.00 176.83 168.56 1oqk s ASP 36 N -4.82 -0.55 -0.20 6.55 1.01 -1.00 -4.79 116.67 112.87 1oqk s ASP 36 Ca 0.00 0.16 0.01 0.00 0.71 0.00 0.00 52.55 53.43 1oqk s ASP 36 Cb 0.00 0.56 0.02 0.00 1.01 0.00 0.00 42.92 44.52 1oqk s ASP 36 CO 0.00 -0.85 -0.16 -0.70 0.21 0.00 0.00 175.17 173.67 1oqk s GLU 37 N -3.01 2.92 0.13 8.23 2.12 -1.26 -2.12 118.70 125.71 1oqk s GLU 37 Ca -0.02 -0.89 0.08 0.00 0.36 0.00 0.00 54.97 54.50 1oqk s GLU 37 Cb -0.01 -2.69 -0.04 0.00 0.26 0.00 0.00 34.13 31.66 1oqk s GLU 37 CO -0.06 -0.27 -0.14 0.99 -0.54 0.00 0.00 175.26 175.24 1oqk s THR 38 N 1.29 3.09 -0.41 -1.70 2.01 0.20 -4.99 115.64 115.13 1oqk s THR 38 Ca 0.03 -1.46 0.09 0.00 0.31 0.00 0.00 61.69 60.66 1oqk s THR 38 Cb -0.14 -2.45 0.09 0.00 0.01 0.00 0.00 72.50 70.00 1oqk s THR 38 CO -0.10 0.06 1.19 -1.14 -0.69 0.00 0.00 174.62 173.93 1oqk n ARG 39 N 0.61 0.06 0.00 4.92 0.63 -1.26 -2.12 116.66 119.50 1oqk n ARG 39 Ca -0.14 0.50 0.00 0.00 -0.92 0.00 0.00 57.85 57.29 1oqk n ARG 39 Cb 0.53 -1.84 0.00 0.00 0.45 0.00 0.00 32.46 31.61 1oqk n ARG 39 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 1oqk n ASN 40 N -1.78 0.00 -3.54 6.15 2.04 -1.26 -3.34 115.26 113.53 1oqk n ASN 40 Ca -0.01 -1.00 -0.16 0.00 -0.44 0.00 0.00 54.58 52.98 1oqk n ASN 40 Cb 0.16 0.00 -0.05 0.00 -2.53 0.00 0.00 39.78 37.35 1oqk n ASN 40 CO 0.00 0.00 0.00 0.42 -0.44 0.00 0.00 177.26 177.24 1oqk s THR 41 N 0.00 0.01 -0.19 5.53 -4.23 -0.90 -4.08 115.64 111.78 1oqk s THR 41 Ca 0.00 -0.10 -0.00 0.00 -1.18 0.00 0.00 61.69 60.41 1oqk s THR 41 Cb 0.00 -0.96 0.05 0.00 1.34 0.00 0.00 72.50 72.93 1oqk s THR 41 CO 0.00 -0.05 -0.05 -0.22 -0.54 0.00 0.00 174.62 173.76 1oqk s LEU 42 N -1.60 1.93 -0.14 4.79 1.98 0.14 0.62 118.68 126.40 1oqk s LEU 42 Ca -0.08 -0.86 -0.06 0.00 -2.89 0.00 0.00 54.13 50.24 1oqk s LEU 42 Cb -0.01 -1.00 -0.04 0.00 0.66 0.00 0.00 46.19 45.81 1oqk s LEU 42 CO 0.04 -0.21 0.07 -0.60 -1.89 0.00 0.00 176.35 173.76 1oqk s ARG 43 N 1.56 3.60 -0.26 1.98 3.52 -0.90 0.14 118.95 128.59 1oqk s ARG 43 Ca -0.02 -0.31 -0.11 0.00 -0.13 0.00 0.00 55.73 55.17 1oqk s ARG 43 Cb -0.17 -3.10 -0.05 0.00 -1.56 0.00 0.00 34.95 30.07 1oqk s ARG 43 CO -0.07 0.50 0.18 0.42 -0.81 0.00 0.00 175.30 175.52 1oqk s ILE 44 N -0.28 5.33 -0.04 4.11 1.01 0.16 -0.95 121.20 130.54 1oqk s ILE 44 Ca 0.08 0.18 0.03 0.00 0.00 0.00 0.00 60.65 60.95 1oqk s ILE 44 Cb -0.12 -3.52 0.00 0.00 0.01 0.00 0.00 42.46 38.83 1oqk s ILE 44 CO 0.01 0.30 -0.13 -0.70 0.00 0.00 0.00 174.94 174.42 1oqk s GLU 45 N 1.41 1.44 -0.03 2.79 2.12 0.70 0.96 118.70 128.09 1oqk s GLU 45 Ca 0.07 -0.47 0.07 0.00 0.36 0.00 0.00 54.97 55.01 1oqk s GLU 45 Cb -0.15 -1.27 -0.02 0.00 0.26 0.00 0.00 34.13 32.95 1oqk s GLU 45 CO 0.08 0.17 -0.25 0.00 -0.54 0.00 0.00 175.26 174.71 1oqk s MET 46 N 0.16 2.25 0.57 4.30 0.23 -0.21 -0.26 119.30 126.34 1oqk s MET 46 Ca -0.05 -0.92 0.40 0.00 -1.03 0.00 0.00 55.69 54.10 1oqk s MET 46 Cb -0.11 -2.09 1.45 0.00 -1.53 0.00 0.00 34.83 32.55 1oqk s MET 46 CO 0.02 0.51 1.55 -0.44 -2.03 0.00 0.00 175.02 174.62 1oqk h ASP 47 N 5.66 0.00 0.00 -1.18 5.19 -1.93 1.06 116.42 125.22 1oqk h ASP 47 Ca -0.40 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.01 1oqk h ASP 47 Cb 1.14 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.65 1oqk h ASP 47 CO 0.47 0.00 0.02 0.47 -3.12 0.00 0.00 179.24 177.08 1oqk n ASP 48 N -3.75 0.32 0.00 6.45 8.00 -1.26 -4.75 116.55 121.56 1oqk n ASP 48 Ca 0.33 0.64 0.00 0.00 0.71 0.00 0.00 54.79 56.47 1oqk n ASP 48 Cb 1.66 -0.67 0.00 0.00 -0.02 0.00 0.00 41.12 42.09 1oqk n ASP 48 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1oqk n GLY 49 N -1.37 0.82 3.43 0.44 0.00 0.36 -5.07 105.19 103.81 1oqk n GLY 49 Ca -0.01 -0.29 -0.37 0.00 0.00 0.00 0.00 46.02 45.35 1oqk n GLY 49 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1oqk s ARG 50 N -0.59 3.47 -0.23 1.61 1.81 -0.98 -4.95 118.95 119.09 1oqk s ARG 50 Ca 0.00 -0.61 0.00 0.00 -1.72 0.00 0.00 55.73 53.40 1oqk s ARG 50 Cb 0.00 -3.43 0.03 0.00 -0.45 0.00 0.00 34.95 31.11 1oqk s ARG 50 CO 0.00 -0.31 -0.11 -1.83 -0.68 0.00 0.00 175.30 172.37 1oqk s GLU 51 N 1.60 2.70 -0.11 3.54 -1.05 -1.26 -1.05 118.70 123.09 1oqk s GLU 51 Ca 0.05 -1.05 0.03 0.00 -0.15 0.00 0.00 54.97 53.85 1oqk s GLU 51 Cb -0.16 -2.84 0.01 0.00 -0.44 0.00 0.00 34.13 30.69 1oqk s GLU 51 CO 0.05 -0.40 -0.20 -1.50 0.95 0.00 0.00 175.26 174.16 1oqk s ILE 52 N 1.25 1.82 0.62 1.83 2.07 0.27 -4.94 121.20 124.12 1oqk s ILE 52 Ca -0.01 -0.86 -0.16 0.00 -1.41 0.00 0.00 60.65 58.21 1oqk s ILE 52 Cb -0.17 -1.60 -0.02 0.00 0.13 0.00 0.00 42.46 40.80 1oqk s ILE 52 CO -0.07 0.50 1.09 0.28 -1.91 0.00 0.00 174.94 174.84 1oqk s THR 53 N 0.64 3.43 -0.09 4.00 -1.32 -1.26 0.37 115.64 121.40 1oqk s THR 53 Ca -0.13 0.70 -0.08 0.00 -1.21 0.00 0.00 61.69 60.97 1oqk s THR 53 Cb -0.16 -3.23 0.03 0.00 -1.51 0.00 0.00 72.50 67.63 1oqk s THR 53 CO 0.03 -0.37 0.25 -0.69 -2.21 0.00 0.00 174.62 171.63 1oqk s VAL 54 N -2.29 -0.00 0.26 5.08 1.01 0.37 -4.80 120.40 120.03 1oqk s VAL 54 Ca 0.67 0.01 -0.30 0.00 0.00 0.00 0.00 61.98 62.36 1oqk s VAL 54 Cb -0.19 -0.35 -0.09 0.00 0.00 0.00 0.00 36.38 35.74 1oqk s VAL 54 CO 0.37 0.01 1.06 -2.16 0.00 0.00 0.00 175.10 174.38 1oqk s PRO 55 N 0.24 4.69 0.00 2.72 0.04 -1.26 0.24 135.00 141.68 1oqk s PRO 55 Ca -0.01 1.71 0.23 0.00 0.04 0.00 0.00 61.00 62.97 1oqk s PRO 55 Cb -0.03 -3.22 0.10 0.00 0.04 0.00 0.00 34.50 31.39 1oqk s PRO 55 CO -0.01 0.28 1.16 1.63 0.04 0.00 0.00 177.00 180.11 1oqk n LYS 56 N 1.39 1.81 -0.20 4.56 5.02 -1.26 -4.36 118.16 125.12 1oqk n LYS 56 Ca -0.01 -1.50 0.01 0.00 -2.02 0.00 0.00 58.31 54.79 1oqk n LYS 56 Cb 0.45 -1.45 0.09 0.00 -0.02 0.00 0.00 35.03 34.11 1oqk n LYS 56 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1oqk h GLY 57 N 4.62 0.62 -5.00 0.72 0.00 -1.73 -3.21 103.07 99.08 1oqk h GLY 57 Ca 0.00 0.11 -0.22 0.00 0.00 0.00 0.00 47.33 47.22 1oqk h GLY 57 CO 0.00 -0.21 -0.44 1.39 0.00 0.00 0.00 176.54 177.28 1oqk n ILE 58 N -5.31 0.00 -4.02 2.60 -0.00 -0.99 -3.96 119.36 107.68 1oqk n ILE 58 Ca 0.09 -1.45 -0.31 0.00 -0.00 0.00 0.00 62.75 61.07 1oqk n ILE 58 Cb 0.35 1.48 -0.15 0.00 -0.00 0.00 0.00 39.64 41.31 1oqk n ILE 58 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1oqk s ALA 59 N 0.52 2.37 -0.06 -1.39 0.00 -1.00 -1.16 121.76 121.04 1oqk s ALA 59 Ca 0.28 -1.68 -0.30 0.00 0.00 0.00 0.00 51.96 50.26 1oqk s ALA 59 Cb 0.25 -1.56 -0.02 0.00 0.00 0.00 0.00 23.12 21.79 1oqk s ALA 59 CO -0.17 -1.24 1.05 0.54 0.00 0.00 0.00 175.76 175.94 1oqk s VAL 60 N 1.19 4.66 -0.15 0.00 0.11 0.14 0.32 120.40 126.66 1oqk s VAL 60 Ca -0.06 1.93 -0.22 0.00 -2.93 0.00 0.00 61.98 60.70 1oqk s VAL 60 Cb -0.20 -4.24 0.05 0.00 -1.53 0.00 0.00 36.38 30.47 1oqk s VAL 60 CO -0.06 0.05 0.56 0.72 -3.33 0.00 0.00 175.10 173.04 1oqk s PHE 61 N 1.76 -0.58 -0.07 1.54 -0.12 -0.88 -0.75 117.98 118.88 1oqk s PHE 61 Ca 0.51 1.29 0.03 0.00 -0.05 0.00 0.00 56.93 58.71 1oqk s PHE 61 Cb -0.21 0.24 -0.02 0.00 -0.63 0.00 0.00 43.02 42.40 1oqk s PHE 61 CO 0.22 -0.38 -0.15 -1.01 -0.05 0.00 0.00 175.22 173.85 1oqk s HIS 62 N -0.23 2.71 0.26 3.49 3.76 -0.61 -0.87 115.29 123.81 1oqk s HIS 62 Ca -0.04 -0.33 -0.04 0.00 -0.15 0.00 0.00 55.06 54.50 1oqk s HIS 62 Cb -0.03 -1.68 -0.05 0.00 1.11 0.00 0.00 32.58 31.92 1oqk s HIS 62 CO 0.03 0.05 0.51 -0.06 -0.85 0.00 0.00 174.74 174.43 1oqk s PHE 63 N -0.40 3.47 -0.03 1.40 0.40 0.65 -1.66 117.98 121.82 1oqk s PHE 63 Ca 0.04 0.60 -0.02 0.00 -0.60 0.00 0.00 56.93 56.95 1oqk s PHE 63 Cb -0.12 -2.06 0.01 0.00 0.51 0.00 0.00 43.02 41.36 1oqk s PHE 63 CO 0.02 0.23 0.06 1.03 0.70 0.00 0.00 175.22 177.27 1oqk s ARG 64 N -3.40 0.05 -0.10 0.44 0.52 0.11 -0.62 118.95 115.93 1oqk s ARG 64 Ca 0.43 0.14 0.00 0.00 -0.52 0.00 0.00 55.73 55.78 1oqk s ARG 64 Cb -0.11 -0.05 -0.02 0.00 0.52 0.00 0.00 34.95 35.29 1oqk s ARG 64 CO 0.29 -0.06 -0.10 0.99 0.02 0.00 0.00 175.30 176.44 1oqk s THR 65 N 0.38 3.40 0.56 0.02 2.01 -0.69 -1.82 115.64 119.49 1oqk s THR 65 Ca -0.03 -0.56 0.33 0.00 0.31 0.00 0.00 61.69 61.74 1oqk s THR 65 Cb -0.04 -2.41 0.49 0.00 0.01 0.00 0.00 72.50 70.55 1oqk s THR 65 CO -0.01 0.55 1.81 1.55 -0.69 0.00 0.00 174.62 177.83 1oqk h PRO 66 N 6.05 0.00 0.00 4.92 0.13 -1.95 0.71 132.00 141.86 1oqk h PRO 66 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1oqk h PRO 66 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1oqk h PRO 66 CO 0.55 0.00 0.00 1.96 -0.23 0.00 0.00 178.00 180.28 1oqk h GLN 67 N 0.00 0.00 0.00 0.86 4.20 -2.03 -3.45 115.11 114.69 1oqk h GLN 67 Ca 0.46 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.17 1oqk h GLN 67 Cb 1.97 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.75 1oqk h GLN 67 CO -0.00 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.57 1oqk n GLY 68 N -0.71 0.75 3.40 3.46 0.00 0.24 -5.13 105.19 107.20 1oqk n GLY 68 Ca -0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1oqk n GLY 68 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1oqk s GLU 69 N 0.51 1.86 -0.14 1.61 2.02 -0.95 -4.96 118.70 118.65 1oqk s GLU 69 Ca 0.00 -1.09 -0.00 0.00 0.02 0.00 0.00 54.97 53.90 1oqk s GLU 69 Cb 0.00 -2.05 0.03 0.00 0.10 0.00 0.00 34.13 32.20 1oqk s GLU 69 CO 0.00 0.51 -0.10 -1.17 0.02 0.00 0.00 175.26 174.52 1oqk s LEU 70 N -1.43 1.52 0.23 1.80 2.96 -1.26 -1.71 118.68 120.79 1oqk s LEU 70 Ca 0.13 -0.47 0.10 0.00 -0.22 0.00 0.00 54.13 53.67 1oqk s LEU 70 Cb -0.10 -1.01 -0.05 0.00 0.50 0.00 0.00 46.19 45.53 1oqk s LEU 70 CO 0.04 -0.11 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.09 1oqk s VAL 71 N 1.59 2.12 0.06 1.68 1.01 0.20 -4.99 120.40 122.07 1oqk s VAL 71 Ca 0.04 -2.24 0.05 0.00 0.00 0.00 0.00 61.98 59.82 1oqk s VAL 71 Cb -0.13 -2.13 -0.03 0.00 0.00 0.00 0.00 36.38 34.09 1oqk s VAL 71 CO -0.09 -0.44 -0.14 -1.83 0.00 0.00 0.00 175.10 172.60 1oqk s GLU 72 N -3.40 0.85 -0.24 2.72 -1.05 -1.26 -0.25 118.70 116.07 1oqk s GLU 72 Ca 0.25 -0.87 -0.02 0.00 -0.15 0.00 0.00 54.97 54.18 1oqk s GLU 72 Cb -0.04 -0.85 0.12 0.00 -0.44 0.00 0.00 34.13 32.92 1oqk s GLU 72 CO 0.11 0.20 0.31 0.42 0.95 0.00 0.00 175.26 177.24 1oqk s ILE 73 N -1.10 -0.47 -0.60 1.83 -1.09 -0.05 -4.91 121.20 114.80 1oqk s ILE 73 Ca -0.01 -0.17 -0.27 0.00 -2.23 0.00 0.00 60.65 57.97 1oqk s ILE 73 Cb -0.09 -0.81 0.01 0.00 -1.58 0.00 0.00 42.46 39.99 1oqk s ILE 73 CO 0.02 -0.22 1.50 1.51 -1.23 0.00 0.00 174.94 176.52 1oqk s ASP 74 N 2.44 5.92 0.17 3.58 -4.77 -1.26 -2.07 116.67 120.68 1oqk s ASP 74 Ca 0.10 0.17 0.11 0.00 -3.30 0.00 0.00 52.55 49.63 1oqk s ASP 74 Cb -0.15 -2.54 0.59 0.00 -1.09 0.00 0.00 42.92 39.72 1oqk s ASP 74 CO -0.18 -1.90 1.31 0.61 0.70 0.00 0.00 175.17 175.71 1oqk n GLY 75 N 5.40 -0.66 0.21 2.12 0.00 0.15 -1.17 105.19 111.23 1oqk n GLY 75 Ca 0.13 0.10 0.14 0.00 0.00 0.00 0.00 46.02 46.39 1oqk n GLY 75 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1oqk h ARG 76 N 0.00 0.00 -0.02 1.61 2.43 -1.77 -2.53 114.38 114.10 1oqk h ARG 76 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1oqk h ARG 76 Cb 0.06 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.61 1oqk h ARG 76 CO 0.00 0.00 -0.25 0.00 -1.51 0.00 0.00 179.97 178.21 1oqk n ALA 77 N -2.00 3.05 -1.28 2.80 0.00 -0.32 -4.27 120.51 118.49 1oqk n ALA 77 Ca 0.03 -0.66 -0.26 0.00 0.00 0.00 0.00 53.44 52.54 1oqk n ALA 77 Cb 0.38 -0.81 0.15 0.00 0.00 0.00 0.00 19.45 19.17 1oqk n ALA 77 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1oqk n LEU 78 N 0.60 6.89 -4.26 0.00 7.99 -1.12 -5.02 117.00 122.08 1oqk n LEU 78 Ca 0.12 -3.84 -0.34 0.00 -0.01 0.00 0.00 56.01 51.94 1oqk n LEU 78 Cb 0.53 -0.86 0.10 0.00 -0.11 0.00 0.00 43.42 43.07 1oqk n LEU 78 CO 0.22 1.20 -0.61 0.55 -1.51 0.00 0.00 177.39 177.25 1oqk n VAL 79 N -1.07 0.00 -0.85 4.08 3.14 -1.21 -4.00 118.33 118.41 1oqk n VAL 79 Ca 0.59 -0.27 -0.34 0.00 -2.96 0.00 0.00 64.34 61.36 1oqk n VAL 79 Cb 1.33 -0.42 0.10 0.00 -1.06 0.00 0.00 33.84 33.79 1oqk n VAL 79 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1oqk n ALA 80 N -3.43 -4.17 -1.09 1.55 0.00 -1.26 -4.37 120.51 107.74 1oqk n ALA 80 Ca 0.03 -0.89 -0.32 0.00 0.00 0.00 0.00 53.44 52.26 1oqk n ALA 80 Cb 0.57 -1.42 0.12 0.00 0.00 0.00 0.00 19.45 18.72 1oqk n ALA 80 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1oqk s ARG 81 N -2.93 1.74 0.48 0.00 0.52 -1.21 -4.57 118.95 112.97 1oqk s ARG 81 Ca 0.49 1.59 0.40 0.00 -0.52 0.00 0.00 55.73 57.69 1oqk s ARG 81 Cb -0.14 -1.80 1.54 0.00 0.52 0.00 0.00 34.95 35.07 1oqk s ARG 81 CO 0.71 -2.10 1.48 -2.30 0.02 0.00 0.00 175.30 173.10 1oqk n PRO 82 N -3.41 -0.01 0.00 3.54 -0.02 -1.26 0.65 135.00 134.48 1oqk n PRO 82 Ca 0.12 1.10 0.00 0.00 -2.02 0.00 0.00 63.50 62.70 1oqk n PRO 82 Cb 0.51 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 1oqk n PRO 82 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1oqk n GLU 83 N -4.16 0.81 0.11 -0.52 -0.58 -1.26 -4.63 120.64 110.41 1oqk n GLU 83 Ca 0.41 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.15 1oqk n GLU 83 Cb 1.73 -1.23 0.00 0.00 -0.57 0.00 0.00 31.44 31.37 1oqk n GLU 83 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1oqk n GLU 84 N 0.38 0.01 -1.64 3.49 1.02 2.90 -3.65 120.64 123.15 1oqk n GLU 84 Ca 0.00 0.31 -0.32 0.00 -0.02 0.00 0.00 57.16 57.13 1oqk n GLU 84 Cb 0.32 -2.02 -0.07 0.00 -0.02 0.00 0.00 31.44 29.65 1oqk n GLU 84 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1oqk n ARG 85 N -1.42 1.30 0.00 3.49 5.12 -1.26 -4.80 116.66 119.09 1oqk n ARG 85 Ca 0.00 -2.10 0.00 0.00 -1.93 0.00 0.00 57.85 53.82 1oqk n ARG 85 Cb 0.62 -3.43 0.00 0.00 -1.16 0.00 0.00 32.46 28.49 1oqk n ARG 85 CO 0.00 0.00 0.00 -0.89 -1.93 0.00 0.00 177.63 174.81