#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 -2.32 -2.65 -1.55 -0.00 -1.26 -5.05 115.22 102.40 1oqk n HIS 10 Ca 0.00 0.91 -0.02 0.00 0.46 0.00 0.00 57.72 59.07 1oqk n HIS 10 Cb 0.00 -3.38 0.03 0.00 -0.12 0.00 0.00 29.99 26.52 1oqk n HIS 10 CO 0.00 0.00 0.00 -2.00 0.46 0.00 0.00 176.34 174.80 1oqk s GLU 11 N -2.64 0.02 -0.37 1.57 2.12 -1.26 -5.03 118.70 113.12 1oqk s GLU 11 Ca 0.08 -0.01 0.08 0.00 0.36 0.00 0.00 54.97 55.47 1oqk s GLU 11 Cb -0.02 -0.00 0.72 0.00 0.26 0.00 0.00 34.13 35.08 1oqk s GLU 11 CO 0.55 -0.02 1.84 1.28 -0.54 0.00 0.00 175.26 178.36 1oqk n LEU 12 N 2.70 6.25 -4.84 2.70 4.32 -1.26 -4.96 117.00 121.91 1oqk n LEU 12 Ca 0.09 -3.37 -0.36 0.00 -0.02 0.00 0.00 56.01 52.34 1oqk n LEU 12 Cb 0.66 -0.77 -0.06 0.00 -1.62 0.00 0.00 43.42 41.63 1oqk n LEU 12 CO -0.13 0.90 0.19 -0.63 -1.22 0.00 0.00 177.39 176.51 1oqk s ILE 13 N -3.11 4.90 0.00 -0.08 -1.09 -1.26 -4.13 121.20 116.44 1oqk s ILE 13 Ca 0.55 0.85 0.00 0.00 -2.23 0.00 0.00 60.65 59.82 1oqk s ILE 13 Cb 0.45 -3.75 0.00 0.00 -1.58 0.00 0.00 42.46 37.58 1oqk s ILE 13 CO 0.12 0.37 0.00 0.61 -1.23 0.00 0.00 174.94 174.82 1oqk n GLY 14 N 1.19 2.85 3.70 6.18 0.00 -1.26 -5.06 105.19 112.79 1oqk n GLY 14 Ca -0.08 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.70 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 3.41 0.68 0.99 2.34 -1.26 -4.91 118.68 119.92 1oqk s LEU 15 Ca 0.00 -0.47 -0.12 0.00 0.06 0.00 0.00 54.13 53.60 1oqk s LEU 15 Cb 0.00 -1.96 0.00 0.00 -0.56 0.00 0.00 46.19 43.67 1oqk s LEU 15 CO 0.00 0.01 1.06 -0.55 -1.06 0.00 0.00 176.35 175.82 1oqk s SER 16 N -3.54 5.39 -0.17 1.48 0.15 -0.27 -3.54 113.70 113.20 1oqk s SER 16 Ca 0.31 1.70 -0.04 0.00 0.70 0.00 0.00 55.95 58.61 1oqk s SER 16 Cb -0.08 -2.51 0.06 0.00 -1.71 0.00 0.00 66.02 61.78 1oqk s SER 16 CO 0.21 -1.44 0.08 0.54 1.20 0.00 0.00 173.24 173.83 1oqk s VAL 17 N -2.86 0.04 0.11 4.45 0.11 0.11 0.69 120.40 123.05 1oqk s VAL 17 Ca 0.60 -0.23 -0.23 0.00 -2.93 0.00 0.00 61.98 59.19 1oqk s VAL 17 Cb -0.15 -0.66 -0.07 0.00 -1.53 0.00 0.00 36.38 33.97 1oqk s VAL 17 CO 0.50 -0.25 0.70 -0.60 -3.33 0.00 0.00 175.10 172.11 1oqk s ARG 18 N 2.08 4.42 -0.42 1.54 3.52 0.44 -1.97 118.95 128.56 1oqk s ARG 18 Ca 0.01 0.98 -0.19 0.00 -0.13 0.00 0.00 55.73 56.41 1oqk s ARG 18 Cb -0.16 -3.27 0.02 0.00 -1.56 0.00 0.00 34.95 29.97 1oqk s ARG 18 CO -0.09 0.54 0.52 0.42 -0.81 0.00 0.00 175.30 175.88 1oqk s ILE 19 N -0.91 4.99 0.03 4.11 -1.09 -1.16 -1.54 121.20 125.62 1oqk s ILE 19 Ca 0.34 -0.13 0.10 0.00 -2.23 0.00 0.00 60.65 58.73 1oqk s ILE 19 Cb -0.21 -4.09 -0.12 0.00 -1.58 0.00 0.00 42.46 36.45 1oqk s ILE 19 CO 0.23 -0.47 1.33 0.00 -1.23 0.00 0.00 174.94 174.80 1oqk h ALA 20 N 8.76 0.46 -1.60 9.38 0.00 -1.03 -3.27 119.26 131.96 1oqk h ALA 20 Ca -0.26 -0.76 0.06 0.00 0.00 0.00 0.00 54.91 53.95 1oqk h ALA 20 Cb 1.11 -0.13 -0.24 0.00 0.00 0.00 0.00 17.79 18.52 1oqk h ALA 20 CO 0.83 1.05 0.48 0.50 0.00 0.00 0.00 179.25 182.11 1oqk s ARG 21 N -2.79 0.57 0.12 0.00 6.06 -0.89 -4.65 118.95 117.36 1oqk s ARG 21 Ca 0.02 0.38 -0.01 0.00 -2.50 0.00 0.00 55.73 53.62 1oqk s ARG 21 Cb 0.09 0.27 -0.04 0.00 0.06 0.00 0.00 34.95 35.33 1oqk s ARG 21 CO 0.80 -0.13 0.04 0.45 -2.50 0.00 0.00 175.30 173.96 1oqk s SER 22 N -0.42 0.34 0.13 -2.12 0.15 -1.26 -1.13 113.70 109.38 1oqk s SER 22 Ca 0.00 -1.17 -0.16 0.00 0.70 0.00 0.00 55.95 55.32 1oqk s SER 22 Cb -0.03 0.28 -0.02 0.00 -1.71 0.00 0.00 66.02 64.55 1oqk s SER 22 CO -0.02 -0.71 1.67 1.62 1.20 0.00 0.00 173.24 177.00 1oqk h VAL 23 N 2.91 1.20 -3.28 4.45 3.04 -1.57 -3.43 116.25 119.57 1oqk h VAL 23 Ca -0.35 -0.61 -0.66 0.00 -1.01 0.00 0.00 66.70 64.07 1oqk h VAL 23 Cb 1.19 0.90 -0.16 0.00 -2.01 0.00 0.00 31.29 31.21 1oqk h VAL 23 CO 0.60 0.22 -0.61 -2.28 -1.01 0.00 0.00 177.57 174.49 1oqk s HIS 24 N -5.52 3.17 0.30 3.17 5.65 -1.26 -5.01 115.29 115.79 1oqk s HIS 24 Ca -0.13 0.12 -0.01 0.00 0.25 0.00 0.00 55.06 55.29 1oqk s HIS 24 Cb 0.10 -1.86 0.47 0.00 -1.18 0.00 0.00 32.58 30.11 1oqk s HIS 24 CO 0.75 0.37 1.94 -0.09 -0.65 0.00 0.00 174.74 177.06 1oqk h ARG 25 N 5.57 1.07 -0.13 2.88 2.43 -1.91 0.11 114.38 124.41 1oqk h ARG 25 Ca -0.46 -0.06 0.04 0.00 -0.81 0.00 0.00 59.98 58.68 1oqk h ARG 25 Cb 1.19 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 30.49 1oqk h ARG 25 CO 0.58 0.71 0.25 0.22 -1.51 0.00 0.00 179.97 180.22 1oqk h ASP 26 N 1.10 0.00 0.00 -3.80 3.58 -1.97 -0.96 116.42 114.37 1oqk h ASP 26 Ca 0.35 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.80 1oqk h ASP 26 Cb 0.01 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.06 1oqk h ASP 26 CO -0.10 0.00 -0.61 2.30 -2.88 0.00 0.00 179.24 177.94 1oqk n ILE 27 N -3.37 0.00 -2.53 2.25 -5.35 -0.66 -4.95 119.36 104.77 1oqk n ILE 27 Ca 0.01 -0.29 -0.40 0.00 -0.27 0.00 0.00 62.75 61.80 1oqk n ILE 27 Cb 0.35 0.79 -0.04 0.00 -1.74 0.00 0.00 39.64 39.00 1oqk n ILE 27 CO 0.00 0.00 0.00 -1.58 -1.76 0.00 0.00 176.55 173.21 1oqk s GLN 28 N -1.87 4.67 -0.03 6.28 -0.44 0.30 -3.24 119.66 125.34 1oqk s GLN 28 Ca 0.01 1.74 0.00 0.00 -2.50 0.00 0.00 55.36 54.60 1oqk s GLN 28 Cb 0.05 -3.22 0.00 0.00 -1.64 0.00 0.00 33.01 28.19 1oqk s GLN 28 CO 0.26 0.23 0.00 0.41 0.50 0.00 0.00 175.29 176.69 1oqk n GLY 29 N 1.43 0.43 3.58 2.59 0.00 -1.23 -4.91 105.19 107.07 1oqk n GLY 29 Ca -0.00 -0.06 -0.35 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.84 4.71 0.22 -0.61 1.01 -1.20 -4.90 121.20 118.59 1oqk s ILE 30 Ca 0.00 -0.05 -0.05 0.00 0.00 0.00 0.00 60.65 60.54 1oqk s ILE 30 Cb 0.00 -3.15 -0.06 0.00 0.01 0.00 0.00 42.46 39.26 1oqk s ILE 30 CO 0.00 0.41 0.48 -0.94 0.00 0.00 0.00 174.94 174.89 1oqk s SER 31 N 0.81 6.49 0.00 3.58 1.04 -1.26 -2.99 113.70 121.37 1oqk s SER 31 Ca 0.04 0.67 0.00 0.00 0.48 0.00 0.00 55.95 57.14 1oqk s SER 31 Cb -0.13 -2.13 0.00 0.00 0.10 0.00 0.00 66.02 63.86 1oqk s SER 31 CO 0.02 -0.08 0.00 0.61 0.98 0.00 0.00 173.24 174.77 1oqk n GLY 32 N -0.45 1.77 3.85 7.32 0.00 -0.83 -4.94 105.19 111.91 1oqk n GLY 32 Ca -0.02 -0.82 -0.23 0.00 0.00 0.00 0.00 46.02 44.95 1oqk n GLY 32 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1oqk s ARG 33 N -0.60 2.39 0.17 1.61 3.00 -1.26 0.08 118.95 124.34 1oqk s ARG 33 Ca 0.00 -1.73 0.04 0.00 0.00 0.00 0.00 55.73 54.04 1oqk s ARG 33 Cb 0.00 -2.22 -0.04 0.00 0.00 0.00 0.00 34.95 32.70 1oqk s ARG 33 CO 0.00 -0.28 0.24 0.54 0.00 0.00 0.00 175.30 175.80 1oqk s VAL 34 N -2.58 5.00 0.05 3.52 0.11 0.67 -1.54 120.40 125.63 1oqk s VAL 34 Ca 0.43 -0.88 0.00 0.00 -2.93 0.00 0.00 61.98 58.61 1oqk s VAL 34 Cb -0.01 -3.59 0.00 0.00 -1.53 0.00 0.00 36.38 31.25 1oqk s VAL 34 CO 0.25 -0.13 0.00 0.52 -3.33 0.00 0.00 175.10 172.41 1oqk n VAL 35 N -0.58 0.05 -3.48 2.04 0.31 0.40 -1.66 118.33 115.41 1oqk n VAL 35 Ca -0.08 0.02 -0.11 0.00 -0.01 0.00 0.00 64.34 64.16 1oqk n VAL 35 Cb 0.55 -0.73 -0.02 0.00 -0.91 0.00 0.00 33.84 32.73 1oqk n VAL 35 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1oqk s ASP 36 N -5.04 -0.50 -0.30 4.52 2.15 -0.94 -4.97 116.67 111.58 1oqk s ASP 36 Ca 0.00 -0.08 0.03 0.00 0.43 0.00 0.00 52.55 52.93 1oqk s ASP 36 Cb 0.00 0.59 0.07 0.00 -0.30 0.00 0.00 42.92 43.28 1oqk s ASP 36 CO 0.00 -0.97 -0.03 -1.61 -0.17 0.00 0.00 175.17 172.39 1oqk s GLU 37 N -3.69 1.99 0.06 4.34 2.02 -1.26 -2.00 118.70 120.17 1oqk s GLU 37 Ca 0.03 -1.54 0.01 0.00 0.02 0.00 0.00 54.97 53.49 1oqk s GLU 37 Cb -0.02 -3.05 -0.04 0.00 0.10 0.00 0.00 34.13 31.12 1oqk s GLU 37 CO -0.10 -0.72 0.14 0.99 0.02 0.00 0.00 175.26 175.59 1oqk s THR 38 N 1.05 4.98 0.63 3.63 2.01 0.22 -4.98 115.64 123.18 1oqk s THR 38 Ca -0.01 -0.53 0.29 0.00 0.31 0.00 0.00 61.69 61.74 1oqk s THR 38 Cb -0.20 -3.40 0.33 0.00 0.01 0.00 0.00 72.50 69.25 1oqk s THR 38 CO -0.06 0.16 1.89 0.08 -0.69 0.00 0.00 174.62 176.01 1oqk h ARG 39 N 3.31 0.00 0.00 4.92 0.11 -1.99 -2.31 114.38 118.42 1oqk h ARG 39 Ca -0.46 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.62 1oqk h ARG 39 Cb 1.16 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.24 1oqk h ARG 39 CO 0.70 0.00 -0.15 0.27 0.10 0.00 0.00 179.97 180.89 1oqk n ASN 40 N -3.28 0.32 -3.52 0.08 2.04 -1.26 -4.22 115.26 105.41 1oqk n ASN 40 Ca 0.03 -1.51 -0.14 0.00 -0.44 0.00 0.00 54.58 52.52 1oqk n ASN 40 Cb 0.52 -0.08 -0.04 0.00 -2.53 0.00 0.00 39.78 37.65 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 -0.25 0.02 -0.19 5.53 -4.23 -0.87 -4.39 115.64 111.26 1oqk s THR 41 Ca 0.02 -0.14 -0.02 0.00 -1.18 0.00 0.00 61.69 60.37 1oqk s THR 41 Cb 0.02 -1.00 0.06 0.00 1.34 0.00 0.00 72.50 72.91 1oqk s THR 41 CO 0.00 -0.08 0.01 -0.22 -0.54 0.00 0.00 174.62 173.79 1oqk s LEU 42 N -2.13 1.40 -0.20 4.79 1.98 -0.35 0.73 118.68 124.91 1oqk s LEU 42 Ca -0.04 -0.80 -0.18 0.00 -2.89 0.00 0.00 54.13 50.22 1oqk s LEU 42 Cb -0.00 -0.71 -0.03 0.00 0.66 0.00 0.00 46.19 46.10 1oqk s LEU 42 CO -0.04 -0.27 0.52 -0.60 -1.89 0.00 0.00 176.35 174.07 1oqk s ARG 43 N 1.77 4.20 -0.31 1.98 3.52 -0.84 -0.50 118.95 128.76 1oqk s ARG 43 Ca -0.01 0.42 -0.13 0.00 -0.13 0.00 0.00 55.73 55.89 1oqk s ARG 43 Cb -0.17 -3.56 -0.03 0.00 -1.56 0.00 0.00 34.95 29.63 1oqk s ARG 43 CO -0.07 -0.14 0.24 0.42 -0.81 0.00 0.00 175.30 174.94 1oqk s ILE 44 N 1.61 5.27 -0.03 4.11 1.01 0.28 0.15 121.20 133.61 1oqk s ILE 44 Ca 0.24 0.03 0.04 0.00 0.00 0.00 0.00 60.65 60.96 1oqk s ILE 44 Cb -0.15 -3.65 -0.00 0.00 0.01 0.00 0.00 42.46 38.66 1oqk s ILE 44 CO 0.10 0.10 -0.15 -0.70 0.00 0.00 0.00 174.94 174.29 1oqk s GLU 45 N 1.80 1.41 -0.17 2.79 2.12 -0.59 0.85 118.70 126.91 1oqk s GLU 45 Ca 0.08 -0.52 -0.08 0.00 0.36 0.00 0.00 54.97 54.81 1oqk s GLU 45 Cb -0.17 -1.29 -0.04 0.00 0.26 0.00 0.00 34.13 32.89 1oqk s GLU 45 CO 0.11 0.24 0.10 -1.64 -0.54 0.00 0.00 175.26 173.53 1oqk s MET 46 N -0.06 3.86 0.58 4.30 -1.94 -0.23 -0.24 119.30 125.57 1oqk s MET 46 Ca -0.00 -0.26 0.32 0.00 -1.71 0.00 0.00 55.69 54.04 1oqk s MET 46 Cb -0.09 -3.25 1.35 0.00 2.01 0.00 0.00 34.83 34.85 1oqk s MET 46 CO 0.01 0.43 1.65 -0.44 -0.01 0.00 0.00 175.02 176.65 1oqk h ASP 47 N 6.19 0.00 0.19 3.03 3.32 -1.92 0.86 116.42 128.10 1oqk h ASP 47 Ca -0.43 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.62 1oqk h ASP 47 Cb 1.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.73 1oqk h ASP 47 CO 0.69 0.00 0.00 0.47 -1.72 0.00 0.00 179.24 178.68 1oqk n ASP 48 N -3.69 0.21 0.00 6.45 9.92 -1.26 -4.78 116.55 123.40 1oqk n ASP 48 Ca 0.21 0.58 0.00 0.00 -0.53 0.00 0.00 54.79 55.05 1oqk n ASP 48 Cb 1.24 -0.61 0.00 0.00 -0.64 0.00 0.00 41.12 41.10 1oqk n ASP 48 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1oqk n GLY 49 N -0.96 1.39 3.85 0.44 0.00 0.29 -5.11 105.19 105.10 1oqk n GLY 49 Ca 0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.33 3.04 -0.07 1.61 0.52 -0.90 -4.95 118.95 117.86 1oqk s ARG 50 Ca 0.00 -0.95 -0.12 0.00 -0.52 0.00 0.00 55.73 54.13 1oqk s ARG 50 Cb 0.00 -2.65 0.03 0.00 0.52 0.00 0.00 34.95 32.84 1oqk s ARG 50 CO 0.00 0.43 0.31 -1.21 0.02 0.00 0.00 175.30 174.84 1oqk s GLU 51 N -3.72 0.49 -0.26 3.54 2.02 -1.26 -1.07 118.70 118.45 1oqk s GLU 51 Ca 0.33 0.16 -0.22 0.00 0.02 0.00 0.00 54.97 55.25 1oqk s GLU 51 Cb -0.09 0.23 0.07 0.00 0.10 0.00 0.00 34.13 34.44 1oqk s GLU 51 CO 0.26 -0.10 0.69 -1.50 0.02 0.00 0.00 175.26 174.62 1oqk s ILE 52 N -0.48 -0.00 0.16 -1.63 2.07 0.25 -4.98 121.20 116.58 1oqk s ILE 52 Ca -0.06 0.00 -0.11 0.00 -1.41 0.00 0.00 60.65 59.07 1oqk s ILE 52 Cb -0.04 -0.96 -0.07 0.00 0.13 0.00 0.00 42.46 41.53 1oqk s ILE 52 CO 0.02 0.00 0.50 0.28 -1.91 0.00 0.00 174.94 173.83 1oqk s THR 53 N 0.59 4.97 -0.20 4.00 -1.32 -1.26 0.10 115.64 122.52 1oqk s THR 53 Ca -0.02 0.55 -0.07 0.00 -1.21 0.00 0.00 61.69 60.93 1oqk s THR 53 Cb -0.05 -3.66 0.09 0.00 -1.51 0.00 0.00 72.50 67.36 1oqk s THR 53 CO -0.03 0.13 0.43 -0.69 -2.21 0.00 0.00 174.62 172.25 1oqk s VAL 54 N -1.59 -0.56 -0.01 5.08 1.01 0.34 -4.88 120.40 119.79 1oqk s VAL 54 Ca 0.40 0.15 -0.30 0.00 0.00 0.00 0.00 61.98 62.23 1oqk s VAL 54 Cb -0.13 -0.67 -0.07 0.00 0.00 0.00 0.00 36.38 35.51 1oqk s VAL 54 CO 0.20 0.06 1.78 -2.84 0.00 0.00 0.00 175.10 174.31 1oqk s PRO 55 N 2.43 4.17 0.00 2.72 0.02 -1.26 -1.21 135.00 141.87 1oqk s PRO 55 Ca -0.03 2.37 0.22 0.00 0.02 0.00 0.00 61.00 63.58 1oqk s PRO 55 Cb -0.11 -4.05 0.09 0.00 0.02 0.00 0.00 34.50 30.45 1oqk s PRO 55 CO -0.13 -0.89 1.14 0.36 -0.33 0.00 0.00 177.00 177.16 1oqk n LYS 56 N 7.25 1.74 0.07 5.54 2.85 -1.26 -4.47 118.16 129.89 1oqk n LYS 56 Ca 0.18 -1.43 0.21 0.00 -1.05 0.00 0.00 58.31 56.22 1oqk n LYS 56 Cb 0.42 -1.45 0.65 0.00 -0.65 0.00 0.00 35.03 34.00 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 4.59 0.00 -5.57 2.58 0.00 -1.77 -2.33 103.07 100.57 1oqk h GLY 57 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 47.33 46.95 1oqk h GLY 57 CO 0.00 0.00 -0.93 1.39 0.00 0.00 0.00 176.54 177.00 1oqk n ILE 58 N -3.42 -0.02 -3.52 2.60 -0.00 -0.40 -4.25 119.36 110.34 1oqk n ILE 58 Ca 0.09 -3.38 -0.12 0.00 -0.00 0.00 0.00 62.75 59.35 1oqk n ILE 58 Cb 0.82 0.41 -0.10 0.00 -0.00 0.00 0.00 39.64 40.77 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 -1.53 -0.82 0.00 -1.39 0.00 -0.88 -1.59 121.76 115.55 1oqk s ALA 59 Ca 0.33 0.93 -0.27 0.00 0.00 0.00 0.00 51.96 52.94 1oqk s ALA 59 Cb 0.34 -1.37 -0.04 0.00 0.00 0.00 0.00 23.12 22.05 1oqk s ALA 59 CO -0.06 -0.98 0.86 0.54 0.00 0.00 0.00 175.76 176.11 1oqk s VAL 60 N 2.49 4.84 -0.00 0.00 0.11 -0.28 -0.27 120.40 127.29 1oqk s VAL 60 Ca 0.06 1.80 -0.20 0.00 -2.93 0.00 0.00 61.98 60.71 1oqk s VAL 60 Cb -0.14 -4.20 0.04 0.00 -1.53 0.00 0.00 36.38 30.55 1oqk s VAL 60 CO -0.13 0.25 0.44 0.72 -3.33 0.00 0.00 175.10 173.05 1oqk s PHE 61 N 0.61 -0.33 -0.06 1.54 -0.12 -0.39 -0.34 117.98 118.88 1oqk s PHE 61 Ca 0.45 0.47 0.04 0.00 -0.05 0.00 0.00 56.93 57.83 1oqk s PHE 61 Cb -0.20 0.22 -0.02 0.00 -0.63 0.00 0.00 43.02 42.38 1oqk s PHE 61 CO 0.24 -0.51 -0.15 -1.01 -0.05 0.00 0.00 175.22 173.74 1oqk s HIS 62 N -1.69 2.68 -0.29 3.49 3.76 -0.59 -0.81 115.29 121.84 1oqk s HIS 62 Ca -0.10 -0.24 -0.14 0.00 -0.15 0.00 0.00 55.06 54.43 1oqk s HIS 62 Cb -0.02 -1.64 -0.04 0.00 1.11 0.00 0.00 32.58 31.99 1oqk s HIS 62 CO 0.03 0.12 0.30 -0.06 -0.85 0.00 0.00 174.74 174.29 1oqk s PHE 63 N -0.60 3.23 -0.25 1.40 0.40 -0.33 -0.42 117.98 121.41 1oqk s PHE 63 Ca 0.09 0.20 -0.11 0.00 -0.60 0.00 0.00 56.93 56.50 1oqk s PHE 63 Cb -0.11 -2.52 -0.05 0.00 0.51 0.00 0.00 43.02 40.85 1oqk s PHE 63 CO 0.01 -0.25 0.20 1.03 0.70 0.00 0.00 175.22 176.91 1oqk s ARG 64 N 1.94 4.05 -0.22 0.44 1.81 0.22 -1.07 118.95 126.12 1oqk s ARG 64 Ca 0.11 -0.21 -0.11 0.00 -1.72 0.00 0.00 55.73 53.80 1oqk s ARG 64 Cb -0.16 -3.57 -0.05 0.00 -0.45 0.00 0.00 34.95 30.72 1oqk s ARG 64 CO 0.11 -0.02 0.16 0.99 -0.68 0.00 0.00 175.30 175.86 1oqk s THR 65 N 1.28 5.38 0.53 0.02 2.01 -0.93 -1.11 115.64 122.81 1oqk s THR 65 Ca 0.09 0.21 0.36 0.00 0.31 0.00 0.00 61.69 62.66 1oqk s THR 65 Cb -0.14 -3.50 0.55 0.00 0.01 0.00 0.00 72.50 69.42 1oqk s THR 65 CO 0.06 0.39 1.77 -0.65 -0.69 0.00 0.00 174.62 175.51 1oqk h PRO 66 N 7.06 0.04 0.00 4.92 0.11 -1.91 0.83 132.00 143.06 1oqk h PRO 66 Ca -0.40 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1oqk h PRO 66 Cb 1.16 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1oqk h PRO 66 CO 0.71 0.03 0.00 0.37 -0.21 0.00 0.00 178.00 178.90 1oqk h GLN 67 N 0.04 0.00 0.00 1.05 4.15 -2.00 -3.45 115.11 114.91 1oqk h GLN 67 Ca 0.61 0.00 0.00 0.00 0.77 0.00 0.00 58.65 60.03 1oqk h GLN 67 Cb 2.35 0.00 0.00 0.00 0.21 0.00 0.00 27.48 30.04 1oqk h GLN 67 CO -0.05 0.00 0.00 0.41 -1.93 0.00 0.00 178.83 177.26 1oqk n GLY 68 N -0.97 0.84 3.47 2.39 0.00 0.28 -5.13 105.19 106.08 1oqk n GLY 68 Ca -0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.74 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 0.31 1.68 -0.24 1.61 0.41 -0.96 -4.98 118.70 116.54 1oqk s GLU 69 Ca 0.00 -1.42 0.01 0.00 -0.41 0.00 0.00 54.97 53.15 1oqk s GLU 69 Cb 0.00 -1.95 0.06 0.00 -1.78 0.00 0.00 34.13 30.46 1oqk s GLU 69 CO 0.00 0.42 -0.07 -1.17 -0.49 0.00 0.00 175.26 173.95 1oqk s LEU 70 N -2.64 2.76 0.22 1.80 1.98 -1.26 -2.18 118.68 119.35 1oqk s LEU 70 Ca 0.21 -1.21 0.08 0.00 -2.89 0.00 0.00 54.13 50.32 1oqk s LEU 70 Cb -0.08 -1.27 -0.04 0.00 0.66 0.00 0.00 46.19 45.46 1oqk s LEU 70 CO 0.11 -0.22 0.02 -0.69 -1.89 0.00 0.00 176.35 173.68 1oqk s VAL 71 N 1.33 3.69 0.03 1.68 1.01 -0.23 -4.98 120.40 122.93 1oqk s VAL 71 Ca -0.06 -1.63 0.04 0.00 0.00 0.00 0.00 61.98 60.32 1oqk s VAL 71 Cb -0.19 -2.93 -0.02 0.00 0.00 0.00 0.00 36.38 33.25 1oqk s VAL 71 CO -0.06 -0.25 -0.11 -0.70 0.00 0.00 0.00 175.10 173.98 1oqk s GLU 72 N -3.37 0.73 -0.16 2.72 2.12 -1.26 -1.19 118.70 118.30 1oqk s GLU 72 Ca 0.30 -0.64 -0.05 0.00 0.36 0.00 0.00 54.97 54.93 1oqk s GLU 72 Cb -0.08 -0.68 0.08 0.00 0.26 0.00 0.00 34.13 33.71 1oqk s GLU 72 CO 0.20 0.16 0.32 0.42 -0.54 0.00 0.00 175.26 175.82 1oqk s ILE 73 N -0.84 -0.49 -0.65 -3.70 -1.09 0.01 -4.91 121.20 109.52 1oqk s ILE 73 Ca -0.01 0.22 -0.22 0.00 -2.23 0.00 0.00 60.65 58.41 1oqk s ILE 73 Cb -0.07 -0.54 0.08 0.00 -1.58 0.00 0.00 42.46 40.35 1oqk s ILE 73 CO 0.01 0.08 0.92 -1.81 -1.23 0.00 0.00 174.94 172.91 1oqk s ASP 74 N 2.48 6.18 0.11 3.58 1.01 -1.26 -1.26 116.67 127.51 1oqk s ASP 74 Ca 0.01 -1.11 0.17 0.00 0.71 0.00 0.00 52.55 52.34 1oqk s ASP 74 Cb -0.12 -2.39 0.74 0.00 1.01 0.00 0.00 42.92 42.15 1oqk s ASP 74 CO -0.10 -1.37 1.53 0.61 0.21 0.00 0.00 175.17 176.05 1oqk n GLY 75 N 5.32 -1.06 0.04 0.21 0.00 0.62 -2.27 105.19 108.05 1oqk n GLY 75 Ca -0.04 0.01 -0.01 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.06 0.00 1.61 9.65 -1.72 -0.98 114.38 122.88 1oqk h ARG 76 Ca 0.00 0.00 -0.24 0.00 -1.10 0.00 0.00 59.98 58.65 1oqk h ARG 76 Cb 0.27 0.01 -0.04 0.00 -1.39 0.00 0.00 29.97 28.82 1oqk h ARG 76 CO 0.00 -0.04 -1.77 0.00 2.80 0.00 0.00 179.97 180.96 1oqk n ALA 77 N -2.23 1.03 0.13 2.80 0.00 -1.24 -4.46 120.51 116.53 1oqk n ALA 77 Ca -0.01 -0.95 0.18 0.00 0.00 0.00 0.00 53.44 52.67 1oqk n ALA 77 Cb 0.02 0.07 0.64 0.00 0.00 0.00 0.00 19.45 20.19 1oqk n ALA 77 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1oqk h LEU 78 N -1.00 0.00 -8.59 0.00 3.38 -1.79 -3.39 115.31 103.92 1oqk h LEU 78 Ca -0.36 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.12 1oqk h LEU 78 Cb 1.30 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.05 1oqk h LEU 78 CO -0.22 0.00 1.63 0.55 0.09 0.00 0.00 178.44 180.49 1oqk n VAL 79 N -3.29 -0.02 -1.24 1.22 3.14 -0.96 -4.91 118.33 112.27 1oqk n VAL 79 Ca 0.07 -0.67 -0.35 0.00 -2.96 0.00 0.00 64.34 60.43 1oqk n VAL 79 Cb 0.75 -2.51 0.10 0.00 -1.06 0.00 0.00 33.84 31.13 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 14.72 -0.37 -2.53 1.55 0.00 -1.26 -5.01 120.51 127.62 1oqk n ALA 80 Ca 0.39 -0.26 -0.25 0.00 0.00 0.00 0.00 53.44 53.33 1oqk n ALA 80 Cb 0.47 -2.13 -0.09 0.00 0.00 0.00 0.00 19.45 17.70 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 -3.57 1.89 0.24 0.00 0.52 -1.26 -4.39 118.95 112.38 1oqk s ARG 81 Ca 0.72 -1.53 0.18 0.00 -0.52 0.00 0.00 55.73 54.58 1oqk s ARG 81 Cb -0.32 -1.97 0.80 0.00 0.52 0.00 0.00 34.95 33.99 1oqk s ARG 81 CO 0.52 0.37 0.83 -2.30 0.02 0.00 0.00 175.30 174.74 1oqk n PRO 82 N -0.41 -0.02 0.00 3.54 -0.02 -1.26 0.57 135.00 137.41 1oqk n PRO 82 Ca -0.08 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 1oqk n PRO 82 Cb 0.58 -1.31 0.00 0.00 -0.02 0.00 0.00 33.50 32.75 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 -3.66 0.45 0.22 -0.52 1.02 -1.26 -4.48 120.64 112.41 1oqk n GLU 83 Ca 0.22 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.36 1oqk n GLU 83 Cb 0.85 -1.25 0.00 0.00 -0.02 0.00 0.00 31.44 31.03 1oqk n GLU 83 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1oqk n GLU 84 N 0.49 0.02 -1.23 3.49 1.02 2.33 -2.62 120.64 124.13 1oqk n GLU 84 Ca 0.00 0.64 -0.38 0.00 -0.02 0.00 0.00 57.16 57.40 1oqk n GLU 84 Cb 0.16 -2.30 -0.03 0.00 -0.02 0.00 0.00 31.44 29.25 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 -1.98 2.24 0.00 3.49 1.74 -1.26 -4.89 116.66 115.99 1oqk n ARG 85 Ca 0.00 -2.00 0.00 0.00 -0.77 0.00 0.00 57.85 55.08 1oqk n ARG 85 Cb 0.82 -2.90 0.00 0.00 -1.02 0.00 0.00 32.46 29.35 1oqk n ARG 85 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22