#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oqk s HIS 10 N 0.00 2.59 0.04 -0.14 5.65 -1.26 -5.10 115.29 117.08 1oqk s HIS 10 Ca 0.00 -2.92 0.00 0.00 0.25 0.00 0.00 55.06 52.39 1oqk s HIS 10 Cb 0.00 -2.03 0.00 0.00 -1.18 0.00 0.00 32.58 29.37 1oqk s HIS 10 CO 0.00 -0.66 0.00 -0.85 -0.65 0.00 0.00 174.74 172.58 1oqk n GLU 11 N 2.42 -0.39 -0.25 2.88 0.28 -1.26 -4.73 120.64 119.59 1oqk n GLU 11 Ca 0.22 0.26 0.01 0.00 -0.16 0.00 0.00 57.16 57.48 1oqk n GLU 11 Cb 0.39 -0.47 0.01 0.00 1.43 0.00 0.00 31.44 32.80 1oqk n GLU 11 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 177.13 176.86 1oqk n LEU 12 N 0.00 0.27 -4.86 -1.84 7.94 -1.26 -5.09 117.00 112.15 1oqk n LEU 12 Ca 0.00 -0.81 -0.33 0.00 -1.11 0.00 0.00 56.01 53.76 1oqk n LEU 12 Cb 0.09 -0.03 -0.05 0.00 0.53 0.00 0.00 43.42 43.95 1oqk n LEU 12 CO 0.00 0.20 0.21 -0.63 -1.11 0.00 0.00 177.39 176.06 1oqk s ILE 13 N -0.25 4.93 0.00 1.96 -1.09 -1.26 -4.29 121.20 121.19 1oqk s ILE 13 Ca 0.02 0.57 0.00 0.00 -2.23 0.00 0.00 60.65 59.02 1oqk s ILE 13 Cb 0.02 -3.66 0.00 0.00 -1.58 0.00 0.00 42.46 37.24 1oqk s ILE 13 CO 0.00 0.07 0.00 0.61 -1.23 0.00 0.00 174.94 174.39 1oqk n GLY 14 N 0.26 0.89 3.78 6.18 0.00 -1.26 -5.09 105.19 109.95 1oqk n GLY 14 Ca -0.02 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.77 1oqk n GLY 14 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1oqk s LEU 15 N 0.00 3.34 0.43 0.99 0.05 -1.26 -4.75 118.68 117.48 1oqk s LEU 15 Ca 0.00 -0.74 -0.05 0.00 0.05 0.00 0.00 54.13 53.39 1oqk s LEU 15 Cb 0.00 -1.85 -0.04 0.00 -2.05 0.00 0.00 46.19 42.25 1oqk s LEU 15 CO 0.00 -0.38 0.73 -0.44 -0.55 0.00 0.00 176.35 175.71 1oqk s SER 16 N -3.92 6.33 -0.21 1.48 0.01 -0.76 -3.14 113.70 113.48 1oqk s SER 16 Ca 0.40 0.88 -0.02 0.00 1.31 0.00 0.00 55.95 58.52 1oqk s SER 16 Cb -0.03 -2.22 0.06 0.00 0.21 0.00 0.00 66.02 64.04 1oqk s SER 16 CO 0.24 -0.47 0.03 -0.69 0.41 0.00 0.00 173.24 172.75 1oqk s VAL 17 N -2.56 0.70 -0.24 3.43 1.01 0.15 -0.66 120.40 122.23 1oqk s VAL 17 Ca 0.47 -0.74 -0.17 0.00 0.00 0.00 0.00 61.98 61.54 1oqk s VAL 17 Cb -0.10 -1.21 -0.03 0.00 0.00 0.00 0.00 36.38 35.04 1oqk s VAL 17 CO 0.40 -0.24 0.47 -0.13 0.00 0.00 0.00 175.10 175.60 1oqk s ARG 18 N 1.77 4.11 -0.22 2.72 3.00 0.48 -1.24 118.95 129.57 1oqk s ARG 18 Ca -0.01 0.28 -0.16 0.00 0.00 0.00 0.00 55.73 55.85 1oqk s ARG 18 Cb -0.17 -3.61 -0.04 0.00 0.00 0.00 0.00 34.95 31.13 1oqk s ARG 18 CO -0.09 -0.23 0.39 0.42 0.00 0.00 0.00 175.30 175.79 1oqk s ILE 19 N 1.91 5.19 -0.20 1.52 1.09 -1.08 0.03 121.20 129.66 1oqk s ILE 19 Ca 0.21 0.67 0.19 0.00 -1.10 0.00 0.00 60.65 60.62 1oqk s ILE 19 Cb -0.15 -3.72 -0.01 0.00 -1.06 0.00 0.00 42.46 37.51 1oqk s ILE 19 CO 0.09 0.22 1.06 0.00 -0.10 0.00 0.00 174.94 176.22 1oqk h ALA 20 N 7.61 0.63 -1.71 9.38 0.00 -0.74 -3.08 119.26 131.35 1oqk h ALA 20 Ca -0.34 -0.40 0.03 0.00 0.00 0.00 0.00 54.91 54.20 1oqk h ALA 20 Cb 1.16 0.10 -0.22 0.00 0.00 0.00 0.00 17.79 18.83 1oqk h ALA 20 CO 0.70 0.45 0.42 0.50 0.00 0.00 0.00 179.25 181.32 1oqk s ARG 21 N -3.12 0.74 0.12 0.00 6.06 -1.16 -3.90 118.95 117.70 1oqk s ARG 21 Ca -0.00 0.21 -0.01 0.00 -2.50 0.00 0.00 55.73 53.43 1oqk s ARG 21 Cb 0.08 0.35 -0.04 0.00 0.06 0.00 0.00 34.95 35.41 1oqk s ARG 21 CO 0.78 -0.23 0.04 0.45 -2.50 0.00 0.00 175.30 173.84 1oqk s SER 22 N -1.06 0.40 0.20 -2.12 0.15 -1.26 -1.52 113.70 108.49 1oqk s SER 22 Ca -0.05 -1.17 -0.11 0.00 0.70 0.00 0.00 55.95 55.33 1oqk s SER 22 Cb -0.01 0.27 0.24 0.00 -1.71 0.00 0.00 66.02 64.82 1oqk s SER 22 CO 0.04 -0.69 1.74 1.62 1.20 0.00 0.00 173.24 177.15 1oqk h VAL 23 N 2.91 0.78 -3.17 4.45 3.04 -1.34 -3.41 116.25 119.51 1oqk h VAL 23 Ca -0.35 -0.13 -0.66 0.00 -1.01 0.00 0.00 66.70 64.55 1oqk h VAL 23 Cb 1.19 0.36 -0.14 0.00 -2.01 0.00 0.00 31.29 30.69 1oqk h VAL 23 CO 0.61 0.07 -0.58 -2.28 -1.01 0.00 0.00 177.57 174.37 1oqk s HIS 24 N -6.11 3.26 -0.31 3.17 5.65 -1.26 -4.99 115.29 114.71 1oqk s HIS 24 Ca -0.13 0.21 0.22 0.00 0.25 0.00 0.00 55.06 55.60 1oqk s HIS 24 Cb 0.16 -1.89 1.08 0.00 -1.18 0.00 0.00 32.58 30.76 1oqk s HIS 24 CO 0.74 0.43 1.66 0.54 -0.65 0.00 0.00 174.74 177.46 1oqk n ARG 25 N 2.48 0.15 0.00 2.88 1.74 -1.26 -1.62 116.66 121.03 1oqk n ARG 25 Ca -0.18 0.56 0.15 0.00 -0.77 0.00 0.00 57.85 57.61 1oqk n ARG 25 Cb 0.54 -1.92 0.72 0.00 -1.02 0.00 0.00 32.46 30.77 1oqk n ARG 25 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1oqk n ASP 26 N -2.23 0.32 0.00 0.55 5.68 -1.26 -3.75 116.55 115.86 1oqk n ASP 26 Ca -0.00 -0.63 0.00 0.00 -0.50 0.00 0.00 54.79 53.66 1oqk n ASP 26 Cb 0.10 -0.10 0.00 0.00 -1.14 0.00 0.00 41.12 39.97 1oqk n ASP 26 CO 0.00 0.00 0.00 2.30 -1.33 0.00 0.00 177.20 178.17 1oqk n ILE 27 N -0.97 0.05 -2.70 2.12 -5.35 -0.64 -5.05 119.36 106.82 1oqk n ILE 27 Ca 0.17 -0.14 -0.32 0.00 -0.27 0.00 0.00 62.75 62.19 1oqk n ILE 27 Cb 0.24 1.59 -0.04 0.00 -1.74 0.00 0.00 39.64 39.69 1oqk n ILE 27 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1oqk s GLN 28 N -0.05 3.92 -1.61 6.28 -2.07 -0.95 -3.76 119.66 121.43 1oqk s GLN 28 Ca 0.00 0.76 0.00 0.00 -1.82 0.00 0.00 55.36 54.30 1oqk s GLN 28 Cb 0.00 -2.27 0.00 0.00 -1.09 0.00 0.00 33.01 29.65 1oqk s GLN 28 CO 0.00 -0.11 0.00 0.41 -1.32 0.00 0.00 175.29 174.27 1oqk n GLY 29 N -1.23 1.48 3.68 2.60 0.00 -1.17 -4.87 105.19 105.67 1oqk n GLY 29 Ca 0.05 -0.08 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 1oqk n GLY 29 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1oqk s ILE 30 N -2.37 5.08 0.06 -0.61 -1.09 -1.18 -4.89 121.20 116.21 1oqk s ILE 30 Ca 0.00 0.07 -0.13 0.00 -2.23 0.00 0.00 60.65 58.36 1oqk s ILE 30 Cb 0.00 -3.30 -0.06 0.00 -1.58 0.00 0.00 42.46 37.51 1oqk s ILE 30 CO 0.00 0.45 0.45 -0.94 -1.23 0.00 0.00 174.94 173.67 1oqk s SER 31 N 0.37 6.78 0.36 3.58 1.04 -1.26 -2.63 113.70 121.93 1oqk s SER 31 Ca 0.05 0.95 -0.09 0.00 0.48 0.00 0.00 55.95 57.35 1oqk s SER 31 Cb -0.12 -2.24 0.03 0.00 0.10 0.00 0.00 66.02 63.79 1oqk s SER 31 CO -0.01 0.23 0.64 -0.83 0.98 0.00 0.00 173.24 174.24 1oqk s GLY 32 N -1.43 0.92 0.46 7.32 0.00 -0.37 -4.96 107.32 109.26 1oqk s GLY 32 Ca 0.30 -1.13 0.07 0.00 0.00 0.00 0.00 44.72 43.96 1oqk s GLY 32 CO 0.16 -0.65 0.63 0.50 0.00 0.00 0.00 173.10 173.74 1oqk s ARG 33 N -2.68 2.73 -0.03 2.90 3.00 -1.26 0.31 118.95 123.91 1oqk s ARG 33 Ca 0.23 -1.18 -0.02 0.00 0.00 0.00 0.00 55.73 54.75 1oqk s ARG 33 Cb -0.03 -2.70 -0.04 0.00 0.00 0.00 0.00 34.95 32.19 1oqk s ARG 33 CO 0.16 -0.41 0.12 0.54 0.00 0.00 0.00 175.30 175.71 1oqk s VAL 34 N -2.46 5.07 0.00 3.52 0.11 0.74 -2.23 120.40 125.15 1oqk s VAL 34 Ca 0.56 -0.22 0.00 0.00 -2.93 0.00 0.00 61.98 59.39 1oqk s VAL 34 Cb -0.10 -3.31 0.00 0.00 -1.53 0.00 0.00 36.38 31.44 1oqk s VAL 34 CO 0.35 0.40 0.00 0.55 -3.33 0.00 0.00 175.10 173.06 1oqk n VAL 35 N 1.28 0.00 -3.76 2.04 3.14 -0.81 -1.64 118.33 118.58 1oqk n VAL 35 Ca -0.14 0.00 -0.08 0.00 -2.96 0.00 0.00 64.34 61.16 1oqk n VAL 35 Cb 0.53 -0.51 -0.02 0.00 -1.06 0.00 0.00 33.84 32.77 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 -4.77 -0.32 -0.08 6.55 1.01 -0.98 -4.90 116.67 113.18 1oqk s ASP 36 Ca 0.00 -0.49 0.01 0.00 0.71 0.00 0.00 52.55 52.79 1oqk s ASP 36 Cb 0.00 0.68 0.02 0.00 1.01 0.00 0.00 42.92 44.63 1oqk s ASP 36 CO 0.00 -1.23 -0.11 -0.70 0.21 0.00 0.00 175.17 173.34 1oqk s GLU 37 N -3.88 1.63 0.11 8.23 2.12 -1.26 -0.45 118.70 125.19 1oqk s GLU 37 Ca 0.09 -0.36 0.09 0.00 0.36 0.00 0.00 54.97 55.15 1oqk s GLU 37 Cb -0.04 -1.46 -0.04 0.00 0.26 0.00 0.00 34.13 32.85 1oqk s GLU 37 CO 0.02 -0.08 -0.18 0.99 -0.54 0.00 0.00 175.26 175.47 1oqk s THR 38 N 1.02 2.84 0.63 -1.70 2.01 0.21 -4.96 115.64 115.69 1oqk s THR 38 Ca -0.08 -1.46 0.29 0.00 0.31 0.00 0.00 61.69 60.75 1oqk s THR 38 Cb -0.15 -2.29 0.33 0.00 0.01 0.00 0.00 72.50 70.40 1oqk s THR 38 CO -0.01 0.13 1.90 0.08 -0.69 0.00 0.00 174.62 176.03 1oqk h ARG 39 N 3.84 0.00 0.00 4.92 0.11 -2.01 -2.21 114.38 119.03 1oqk h ARG 39 Ca -0.50 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.58 1oqk h ARG 39 Cb 1.17 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.25 1oqk h ARG 39 CO 0.46 0.00 0.00 0.27 0.10 0.00 0.00 179.97 180.80 1oqk n ASN 40 N -3.22 0.67 -3.62 0.08 2.04 -1.26 -4.46 115.26 105.49 1oqk n ASN 40 Ca 0.02 -1.26 -0.10 0.00 -0.44 0.00 0.00 54.58 52.80 1oqk n ASN 40 Cb 0.50 0.00 -0.03 0.00 -2.53 0.00 0.00 39.78 37.72 1oqk n ASN 40 CO 0.00 0.00 0.00 0.28 -0.44 0.00 0.00 177.26 177.10 1oqk s THR 41 N -0.26 0.01 -0.15 5.53 -1.32 -0.83 -4.32 115.64 114.30 1oqk s THR 41 Ca 0.00 -0.47 0.02 0.00 -1.21 0.00 0.00 61.69 60.03 1oqk s THR 41 Cb 0.00 -1.38 0.02 0.00 -1.51 0.00 0.00 72.50 69.62 1oqk s THR 41 CO 0.00 -0.05 -0.19 -0.22 -2.21 0.00 0.00 174.62 171.95 1oqk s LEU 42 N -2.82 2.00 -0.06 9.08 1.98 -0.09 0.65 118.68 129.41 1oqk s LEU 42 Ca 0.06 -0.58 -0.13 0.00 -2.89 0.00 0.00 54.13 50.59 1oqk s LEU 42 Cb -0.02 -1.37 -0.05 0.00 0.66 0.00 0.00 46.19 45.41 1oqk s LEU 42 CO -0.06 0.02 0.32 -0.60 -1.89 0.00 0.00 176.35 174.15 1oqk s ARG 43 N 1.12 3.87 -0.14 1.98 6.06 0.40 0.35 118.95 132.59 1oqk s ARG 43 Ca -0.01 0.22 0.01 0.00 -2.50 0.00 0.00 55.73 53.45 1oqk s ARG 43 Cb -0.14 -3.26 0.00 0.00 0.06 0.00 0.00 34.95 31.61 1oqk s ARG 43 CO -0.07 0.61 -0.18 0.42 -2.50 0.00 0.00 175.30 173.59 1oqk s ILE 44 N -0.73 2.47 -0.02 4.11 1.01 0.30 -1.92 121.20 126.42 1oqk s ILE 44 Ca 0.20 -0.84 0.03 0.00 0.00 0.00 0.00 60.65 60.04 1oqk s ILE 44 Cb -0.15 -2.02 0.00 0.00 0.01 0.00 0.00 42.46 40.30 1oqk s ILE 44 CO 0.09 0.53 -0.10 -0.70 0.00 0.00 0.00 174.94 174.76 1oqk s GLU 45 N 0.75 1.04 -0.16 2.79 2.12 -0.65 0.38 118.70 124.97 1oqk s GLU 45 Ca -0.07 -0.36 -0.07 0.00 0.36 0.00 0.00 54.97 54.83 1oqk s GLU 45 Cb -0.16 -0.97 -0.04 0.00 0.26 0.00 0.00 34.13 33.22 1oqk s GLU 45 CO 0.00 0.15 0.08 -1.64 -0.54 0.00 0.00 175.26 173.32 1oqk s MET 46 N 0.08 3.82 0.57 4.30 -1.94 0.87 -0.18 119.30 126.82 1oqk s MET 46 Ca -0.02 -0.30 0.36 0.00 -1.71 0.00 0.00 55.69 54.03 1oqk s MET 46 Cb -0.08 -3.20 1.47 0.00 2.01 0.00 0.00 34.83 35.03 1oqk s MET 46 CO 0.00 0.40 1.69 0.22 -0.01 0.00 0.00 175.02 177.33 1oqk h ASP 47 N 6.25 0.00 0.20 3.03 1.82 -1.91 1.05 116.42 126.87 1oqk h ASP 47 Ca -0.42 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.22 1oqk h ASP 47 Cb 1.18 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.19 1oqk h ASP 47 CO 0.68 0.00 0.00 0.47 -1.61 0.00 0.00 179.24 178.78 1oqk n ASP 48 N -3.89 0.37 0.00 2.28 8.00 -1.26 -4.79 116.55 117.26 1oqk n ASP 48 Ca 0.26 0.65 0.00 0.00 0.71 0.00 0.00 54.79 56.40 1oqk n ASP 48 Cb 1.34 -0.70 0.00 0.00 -0.02 0.00 0.00 41.12 41.73 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 -0.95 1.47 3.79 0.44 0.00 0.36 -5.11 105.19 105.19 1oqk n GLY 49 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.40 3.01 -0.01 1.61 0.52 -0.90 -4.94 118.95 117.84 1oqk s ARG 50 Ca 0.00 -0.57 0.02 0.00 -0.52 0.00 0.00 55.73 54.65 1oqk s ARG 50 Cb 0.00 -2.81 -0.00 0.00 0.52 0.00 0.00 34.95 32.66 1oqk s ARG 50 CO 0.00 0.61 -0.05 -1.83 0.02 0.00 0.00 175.30 174.05 1oqk s GLU 51 N -2.07 0.47 -0.08 3.54 1.03 -1.26 -0.09 118.70 120.25 1oqk s GLU 51 Ca 0.26 -0.18 -0.29 0.00 0.03 0.00 0.00 54.97 54.79 1oqk s GLU 51 Cb -0.12 -0.46 0.07 0.00 -0.80 0.00 0.00 34.13 32.81 1oqk s GLU 51 CO 0.18 0.10 0.66 -1.50 -1.33 0.00 0.00 175.26 173.37 1oqk s ILE 52 N -0.02 0.00 0.15 1.83 1.10 0.16 -5.00 121.20 119.42 1oqk s ILE 52 Ca 0.01 -0.03 0.03 0.00 -0.51 0.00 0.00 60.65 60.15 1oqk s ILE 52 Cb -0.03 -0.97 -0.04 0.00 0.15 0.00 0.00 42.46 41.57 1oqk s ILE 52 CO -0.00 -0.02 0.21 0.28 -2.11 0.00 0.00 174.94 173.30 1oqk s THR 53 N -0.98 4.95 -0.20 4.00 -1.32 -1.26 0.11 115.64 120.94 1oqk s THR 53 Ca -0.10 -0.84 -0.07 0.00 -1.21 0.00 0.00 61.69 59.48 1oqk s THR 53 Cb -0.01 -3.53 0.09 0.00 -1.51 0.00 0.00 72.50 67.55 1oqk s THR 53 CO 0.08 -0.08 0.42 -0.69 -2.21 0.00 0.00 174.62 172.15 1oqk s VAL 54 N -1.72 -0.66 -0.03 5.08 1.01 0.16 -4.88 120.40 119.36 1oqk s VAL 54 Ca 0.33 0.16 -0.30 0.00 0.00 0.00 0.00 61.98 62.17 1oqk s VAL 54 Cb -0.11 -0.68 -0.08 0.00 0.00 0.00 0.00 36.38 35.52 1oqk s VAL 54 CO 0.26 0.06 1.97 -2.84 0.00 0.00 0.00 175.10 174.56 1oqk s PRO 55 N 2.62 3.96 0.00 2.72 0.02 -1.26 -0.91 135.00 142.14 1oqk s PRO 55 Ca -0.01 2.44 0.23 0.00 0.02 0.00 0.00 61.00 63.67 1oqk s PRO 55 Cb -0.12 -4.18 0.11 0.00 0.02 0.00 0.00 34.50 30.33 1oqk s PRO 55 CO -0.13 -1.16 1.17 0.36 -0.33 0.00 0.00 177.00 176.91 1oqk n LYS 56 N 7.72 1.86 0.05 5.54 2.85 -1.26 -4.47 118.16 130.44 1oqk n LYS 56 Ca 0.21 -1.54 0.21 0.00 -1.05 0.00 0.00 58.31 56.14 1oqk n LYS 56 Cb 0.42 -1.45 0.63 0.00 -0.65 0.00 0.00 35.03 33.98 1oqk n LYS 56 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 177.40 178.13 1oqk h GLY 57 N 4.62 0.00 -5.44 2.58 0.00 -1.75 -2.56 103.07 100.52 1oqk h GLY 57 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 46.98 1oqk h GLY 57 CO 0.00 0.00 -0.77 1.39 0.00 0.00 0.00 176.54 177.16 1oqk n ILE 58 N -3.39 -0.10 -3.57 2.60 -0.00 -0.48 -4.26 119.36 110.15 1oqk n ILE 58 Ca 0.10 -2.83 -0.23 0.00 -0.00 0.00 0.00 62.75 59.80 1oqk n ILE 58 Cb 0.87 0.65 -0.15 0.00 -0.00 0.00 0.00 39.64 41.01 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 -0.83 0.13 0.02 -1.39 0.00 -0.96 -1.01 121.76 117.72 1oqk s ALA 59 Ca 0.30 -0.04 -0.30 0.00 0.00 0.00 0.00 51.96 51.92 1oqk s ALA 59 Cb 0.30 -1.12 -0.04 0.00 0.00 0.00 0.00 23.12 22.27 1oqk s ALA 59 CO -0.08 -1.14 1.07 0.54 0.00 0.00 0.00 175.76 176.15 1oqk s VAL 60 N 2.22 4.54 0.04 0.00 0.11 -0.58 -0.23 120.40 126.50 1oqk s VAL 60 Ca 0.04 1.82 -0.16 0.00 -2.93 0.00 0.00 61.98 60.75 1oqk s VAL 60 Cb -0.16 -4.17 0.03 0.00 -1.53 0.00 0.00 36.38 30.56 1oqk s VAL 60 CO -0.10 0.14 0.36 0.72 -3.33 0.00 0.00 175.10 172.89 1oqk s PHE 61 N 1.06 -0.18 -0.06 1.54 -0.12 -0.29 -0.01 117.98 119.92 1oqk s PHE 61 Ca 0.55 0.09 0.05 0.00 -0.05 0.00 0.00 56.93 57.57 1oqk s PHE 61 Cb -0.24 0.16 -0.02 0.00 -0.63 0.00 0.00 43.02 42.29 1oqk s PHE 61 CO 0.28 -0.54 -0.22 -1.01 -0.05 0.00 0.00 175.22 173.69 1oqk s HIS 62 N -2.52 2.51 -0.37 3.49 3.76 0.10 -0.30 115.29 121.96 1oqk s HIS 62 Ca -0.05 -0.56 -0.19 0.00 -0.15 0.00 0.00 55.06 54.11 1oqk s HIS 62 Cb -0.01 -1.61 0.00 0.00 1.11 0.00 0.00 32.58 32.07 1oqk s HIS 62 CO -0.03 -0.11 0.56 -0.06 -0.85 0.00 0.00 174.74 174.26 1oqk s PHE 63 N -0.30 3.15 -0.48 1.40 0.40 0.27 -0.39 117.98 122.04 1oqk s PHE 63 Ca 0.01 0.15 -0.16 0.00 -0.60 0.00 0.00 56.93 56.33 1oqk s PHE 63 Cb -0.13 -3.05 0.07 0.00 0.51 0.00 0.00 43.02 40.42 1oqk s PHE 63 CO 0.02 -0.63 0.45 0.50 0.70 0.00 0.00 175.22 176.26 1oqk s ARG 64 N 2.54 3.01 0.10 0.44 3.00 0.16 -0.11 118.95 128.09 1oqk s ARG 64 Ca 0.20 -1.23 -0.30 0.00 -1.00 0.00 0.00 55.73 53.41 1oqk s ARG 64 Cb -0.15 -4.12 -0.06 0.00 0.00 0.00 0.00 34.95 30.63 1oqk s ARG 64 CO 0.15 -1.06 0.96 0.99 0.00 0.00 0.00 175.30 176.33 1oqk s THR 65 N 1.88 4.54 0.53 4.11 2.01 0.12 -1.83 115.64 127.00 1oqk s THR 65 Ca 0.07 2.06 0.36 0.00 0.31 0.00 0.00 61.69 64.49 1oqk s THR 65 Cb -0.23 -4.32 0.56 0.00 0.01 0.00 0.00 72.50 68.52 1oqk s THR 65 CO 0.08 0.30 1.78 -0.65 -0.69 0.00 0.00 174.62 175.44 1oqk h PRO 66 N 5.69 0.04 0.00 4.92 0.11 -1.87 0.63 132.00 141.51 1oqk h PRO 66 Ca -0.43 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1oqk h PRO 66 Cb 1.21 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1oqk h PRO 66 CO 0.72 0.02 0.00 1.96 -0.21 0.00 0.00 178.00 180.50 1oqk h GLN 67 N 0.04 0.00 0.00 1.05 4.20 -1.98 -3.44 115.11 114.97 1oqk h GLN 67 Ca 0.61 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.32 1oqk h GLN 67 Cb 2.35 0.00 0.00 0.00 0.30 0.00 0.00 27.48 30.13 1oqk h GLN 67 CO -0.05 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.52 1oqk n GLY 68 N -1.05 1.06 3.31 3.46 0.00 0.21 -5.13 105.19 107.06 1oqk n GLY 68 Ca -0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.05 1.56 -0.23 1.61 2.02 -0.93 -4.96 118.70 117.71 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 -1.76 0.06 0.00 0.10 0.00 0.00 34.13 32.53 1oqk s GLU 69 CO 0.00 0.45 -0.04 -1.17 0.02 0.00 0.00 175.26 174.52 1oqk s LEU 70 N -1.38 2.36 0.25 1.80 1.98 -1.26 0.16 118.68 122.60 1oqk s LEU 70 Ca 0.10 -1.12 0.05 0.00 -2.89 0.00 0.00 54.13 50.27 1oqk s LEU 70 Cb -0.10 -1.09 -0.03 0.00 0.66 0.00 0.00 46.19 45.63 1oqk s LEU 70 CO 0.03 -0.25 0.34 -0.69 -1.89 0.00 0.00 176.35 173.90 1oqk s VAL 71 N 1.46 5.03 0.05 1.68 1.01 0.84 -4.91 120.40 125.57 1oqk s VAL 71 Ca -0.05 -1.05 0.09 0.00 0.00 0.00 0.00 61.98 60.96 1oqk s VAL 71 Cb -0.19 -3.75 -0.03 0.00 0.00 0.00 0.00 36.38 32.42 1oqk s VAL 71 CO -0.06 -0.32 -0.24 -1.61 0.00 0.00 0.00 175.10 172.87 1oqk s GLU 72 N -3.98 1.61 -0.08 2.72 8.01 -1.26 -0.57 118.70 125.15 1oqk s GLU 72 Ca 0.35 -1.07 -0.12 0.00 0.01 0.00 0.00 54.97 54.14 1oqk s GLU 72 Cb -0.09 -1.79 0.03 0.00 -4.31 0.00 0.00 34.13 27.97 1oqk s GLU 72 CO 0.29 0.46 0.30 0.42 0.01 0.00 0.00 175.26 176.73 1oqk s ILE 73 N -0.83 0.02 -0.46 -1.63 -1.09 0.59 -4.92 121.20 112.88 1oqk s ILE 73 Ca 0.10 -0.19 -0.07 0.00 -2.23 0.00 0.00 60.65 58.26 1oqk s ILE 73 Cb -0.10 -0.49 0.12 0.00 -1.58 0.00 0.00 42.46 40.41 1oqk s ILE 73 CO 0.02 -0.11 0.31 -1.81 -1.23 0.00 0.00 174.94 172.12 1oqk s ASP 74 N -0.41 5.56 0.12 3.58 1.01 -1.26 -1.14 116.67 124.14 1oqk s ASP 74 Ca -0.05 -2.00 0.13 0.00 0.71 0.00 0.00 52.55 51.34 1oqk s ASP 74 Cb -0.03 -1.95 0.62 0.00 1.01 0.00 0.00 42.92 42.56 1oqk s ASP 74 CO 0.02 -0.63 1.41 0.61 0.21 0.00 0.00 175.17 176.78 1oqk n GLY 75 N 4.75 -0.86 0.17 0.21 0.00 0.68 -1.05 105.19 109.08 1oqk n GLY 75 Ca -0.05 0.05 -0.05 0.00 0.00 0.00 0.00 46.02 45.96 1oqk n GLY 75 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1oqk h ARG 76 N 0.00 -0.35 0.00 1.61 3.08 -1.75 -1.19 114.38 115.79 1oqk h ARG 76 Ca 0.00 0.02 -0.38 0.00 0.07 0.00 0.00 59.98 59.69 1oqk h ARG 76 Cb 0.13 0.08 -0.07 0.00 0.08 0.00 0.00 29.97 30.19 1oqk h ARG 76 CO 0.00 -0.23 -2.43 0.00 -1.07 0.00 0.00 179.97 176.24 1oqk n ALA 77 N -2.55 1.47 -0.23 0.04 0.00 -1.22 -4.40 120.51 113.62 1oqk n ALA 77 Ca -0.04 -1.22 0.31 0.00 0.00 0.00 0.00 53.44 52.49 1oqk n ALA 77 Cb 0.14 -0.14 0.73 0.00 0.00 0.00 0.00 19.45 20.19 1oqk n ALA 77 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1oqk h LEU 78 N 0.00 0.00 -8.98 0.00 7.12 -1.34 -3.39 115.31 108.72 1oqk h LEU 78 Ca -0.56 0.00 -0.59 0.00 0.13 0.00 0.00 57.88 56.85 1oqk h LEU 78 Cb 2.07 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 42.20 1oqk h LEU 78 CO -0.03 0.00 1.46 0.55 -0.13 0.00 0.00 178.44 180.29 1oqk n VAL 79 N -4.14 0.37 -4.35 1.05 3.14 -1.26 -4.96 118.33 108.18 1oqk n VAL 79 Ca 0.21 -0.41 -0.33 0.00 -2.96 0.00 0.00 64.34 60.85 1oqk n VAL 79 Cb 1.10 -2.45 -0.09 0.00 -1.06 0.00 0.00 33.84 31.33 1oqk n VAL 79 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1oqk s ALA 80 N 7.85 3.19 -0.25 1.55 0.00 -1.26 -5.07 121.76 127.78 1oqk s ALA 80 Ca 1.01 -0.96 -0.02 0.00 0.00 0.00 0.00 51.96 51.99 1oqk s ALA 80 Cb -0.40 -1.28 0.02 0.00 0.00 0.00 0.00 23.12 21.46 1oqk s ALA 80 CO 0.37 0.63 -0.06 1.03 0.00 0.00 0.00 175.76 177.73 1oqk s ARG 81 N -1.45 2.87 0.00 0.00 0.52 -1.26 -4.76 118.95 114.87 1oqk s ARG 81 Ca 0.18 -0.95 0.26 0.00 -0.52 0.00 0.00 55.73 54.70 1oqk s ARG 81 Cb -0.11 -2.98 1.48 0.00 0.52 0.00 0.00 34.95 33.86 1oqk s ARG 81 CO 0.09 -0.38 1.92 -0.35 0.02 0.00 0.00 175.30 176.59 1oqk n PRO 82 N 4.68 0.65 -0.08 3.54 -0.04 -1.26 -2.15 135.00 140.33 1oqk n PRO 82 Ca -0.17 0.02 -0.10 0.00 -0.04 0.00 0.00 63.50 63.21 1oqk n PRO 82 Cb 0.47 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.28 1oqk n PRO 82 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1oqk n GLU 83 N -1.11 0.68 -0.25 0.54 4.07 -1.26 -4.31 120.64 118.98 1oqk n GLU 83 Ca 0.17 0.08 0.08 0.00 -0.06 0.00 0.00 57.16 57.42 1oqk n GLU 83 Cb 0.14 -1.59 0.22 0.00 -0.06 0.00 0.00 31.44 30.14 1oqk n GLU 83 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 1oqk n GLU 84 N -2.86 2.84 -1.45 5.31 1.02 -1.19 -5.08 120.64 119.23 1oqk n GLU 84 Ca -0.30 -2.28 0.00 0.00 -0.02 0.00 0.00 57.16 54.56 1oqk n GLU 84 Cb 1.12 -1.39 0.00 0.00 -0.02 0.00 0.00 31.44 31.16 1oqk n GLU 84 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1oqk n ARG 85 N 0.90 -4.00 0.00 3.49 3.00 -0.92 -5.02 116.66 114.11 1oqk n ARG 85 Ca 0.16 3.04 0.13 0.00 -0.00 0.00 0.00 57.85 61.18 1oqk n ARG 85 Cb 0.51 -3.58 0.78 0.00 0.00 0.00 0.00 32.46 30.16 1oqk n ARG 85 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74