#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 -4.01 -0.28 -1.55 -0.00 -1.26 -4.95 115.22 103.18 1oqk n HIS 10 Ca 0.00 2.09 -0.10 0.00 -0.00 0.00 0.00 57.72 59.71 1oqk n HIS 10 Cb 0.00 -3.32 0.10 0.00 -0.00 0.00 0.00 29.99 26.77 1oqk n HIS 10 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 1oqk n GLU 11 N 0.25 -1.09 -0.93 1.57 -0.58 -1.26 -4.96 120.64 113.64 1oqk n GLU 11 Ca 0.00 -0.47 0.05 0.00 -0.42 0.00 0.00 57.16 56.32 1oqk n GLU 11 Cb 0.00 -0.89 0.13 0.00 -0.57 0.00 0.00 31.44 30.12 1oqk n GLU 11 CO 0.00 0.00 0.00 1.47 -0.48 0.00 0.00 177.13 178.12 1oqk n LEU 12 N 0.00 2.00 -4.54 -4.62 -0.00 -1.26 -4.98 117.00 103.60 1oqk n LEU 12 Ca 0.04 -3.11 -0.42 0.00 -0.00 0.00 0.00 56.01 52.52 1oqk n LEU 12 Cb 0.19 -0.32 -0.03 0.00 -0.00 0.00 0.00 43.42 43.27 1oqk n LEU 12 CO 0.13 1.03 1.01 -0.63 -0.00 0.00 0.00 177.39 178.93 1oqk s ILE 13 N -1.94 4.01 0.00 1.47 1.01 -1.26 -3.32 121.20 121.17 1oqk s ILE 13 Ca 0.36 0.43 0.00 0.00 0.00 0.00 0.00 60.65 61.43 1oqk s ILE 13 Cb 0.37 -4.77 0.00 0.00 0.01 0.00 0.00 42.46 38.07 1oqk s ILE 13 CO -0.11 -1.52 0.00 0.61 0.00 0.00 0.00 174.94 173.92 1oqk n GLY 14 N 5.23 1.82 3.50 6.18 0.00 -0.77 -4.94 105.19 116.21 1oqk n GLY 14 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 1oqk n GLY 14 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1oqk n LEU 15 N 0.00 -0.16 -4.86 0.99 4.77 -1.21 -4.14 117.00 112.40 1oqk n LEU 15 Ca 0.00 0.03 -0.34 0.00 -0.03 0.00 0.00 56.01 55.68 1oqk n LEU 15 Cb 0.00 -1.28 -0.06 0.00 -2.33 0.00 0.00 43.42 39.75 1oqk n LEU 15 CO 0.00 -2.99 0.25 -0.44 -1.33 0.00 0.00 177.39 172.88 1oqk s SER 16 N -2.37 6.75 -0.11 -1.43 0.01 -0.85 0.97 113.70 116.67 1oqk s SER 16 Ca 0.66 1.05 -0.08 0.00 1.31 0.00 0.00 55.95 58.89 1oqk s SER 16 Cb -0.23 -2.28 0.04 0.00 0.21 0.00 0.00 66.02 63.76 1oqk s SER 16 CO 0.64 -0.01 0.27 0.54 0.41 0.00 0.00 173.24 175.09 1oqk s VAL 17 N -1.67 -0.02 -0.06 3.43 0.11 0.12 0.16 120.40 122.48 1oqk s VAL 17 Ca 0.44 0.06 0.05 0.00 -2.93 0.00 0.00 61.98 59.60 1oqk s VAL 17 Cb -0.13 -0.39 -0.00 0.00 -1.53 0.00 0.00 36.38 34.32 1oqk s VAL 17 CO 0.20 0.03 -0.21 -0.13 -3.33 0.00 0.00 175.10 171.65 1oqk s ARG 18 N 0.66 2.29 -0.12 1.54 0.52 0.22 -1.07 118.95 122.98 1oqk s ARG 18 Ca -0.04 -0.76 -0.10 0.00 -0.52 0.00 0.00 55.73 54.31 1oqk s ARG 18 Cb -0.06 -1.91 -0.05 0.00 0.52 0.00 0.00 34.95 33.46 1oqk s ARG 18 CO -0.04 0.27 0.20 0.42 0.02 0.00 0.00 175.30 176.17 1oqk s ILE 19 N 0.05 5.39 -0.18 1.52 1.09 0.15 -1.23 121.20 128.00 1oqk s ILE 19 Ca -0.07 0.34 0.16 0.00 -1.10 0.00 0.00 60.65 59.98 1oqk s ILE 19 Cb -0.14 -3.49 -0.24 0.00 -1.06 0.00 0.00 42.46 37.53 1oqk s ILE 19 CO 0.04 0.55 0.13 0.00 -0.10 0.00 0.00 174.94 175.56 1oqk n ALA 20 N 2.47 1.49 -3.64 9.38 0.00 -0.50 -3.74 120.51 125.97 1oqk n ALA 20 Ca -0.17 -1.25 -0.04 0.00 0.00 0.00 0.00 53.44 51.98 1oqk n ALA 20 Cb 0.54 -0.27 -0.07 0.00 0.00 0.00 0.00 19.45 19.65 1oqk n ALA 20 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1oqk s ARG 21 N -2.51 0.43 0.24 0.00 1.70 -1.24 -4.18 118.95 113.39 1oqk s ARG 21 Ca -0.11 0.72 0.05 0.00 -0.47 0.00 0.00 55.73 55.92 1oqk s ARG 21 Cb 0.06 0.10 -0.05 0.00 -0.57 0.00 0.00 34.95 34.49 1oqk s ARG 21 CO 0.82 -0.09 -0.05 -1.12 -1.08 0.00 0.00 175.30 173.78 1oqk s SER 22 N 1.27 2.26 0.21 -2.89 0.01 -1.25 -1.67 113.70 111.64 1oqk s SER 22 Ca -0.08 -1.17 -0.10 0.00 1.31 0.00 0.00 55.95 55.91 1oqk s SER 22 Cb -0.04 -0.08 0.28 0.00 0.21 0.00 0.00 66.02 66.39 1oqk s SER 22 CO -0.15 -0.40 1.72 1.62 0.41 0.00 0.00 173.24 176.44 1oqk h VAL 23 N 2.43 0.70 -2.93 3.43 3.04 -1.01 -3.41 116.25 118.49 1oqk h VAL 23 Ca -0.39 -0.11 -0.63 0.00 -1.01 0.00 0.00 66.70 64.57 1oqk h VAL 23 Cb 1.22 0.36 -0.08 0.00 -2.01 0.00 0.00 31.29 30.79 1oqk h VAL 23 CO 0.65 0.06 -0.37 -1.00 -1.01 0.00 0.00 177.57 175.90 1oqk s HIS 24 N -6.10 3.59 0.31 3.17 3.76 -1.26 -4.98 115.29 113.78 1oqk s HIS 24 Ca -0.13 0.65 0.21 0.00 -0.15 0.00 0.00 55.06 55.64 1oqk s HIS 24 Cb 0.17 -2.14 1.00 0.00 1.11 0.00 0.00 32.58 32.73 1oqk s HIS 24 CO 0.74 0.57 1.90 0.00 -0.85 0.00 0.00 174.74 177.10 1oqk h ARG 25 N 5.40 0.00 0.00 1.40 3.08 -1.93 0.26 114.38 122.59 1oqk h ARG 25 Ca -0.50 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.53 1oqk h ARG 25 Cb 1.21 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.25 1oqk h ARG 25 CO 0.64 0.26 -0.08 -0.44 -1.07 0.00 0.00 179.97 179.28 1oqk h ASP 26 N 0.00 0.00 0.00 7.04 3.32 -1.95 -2.83 116.42 122.01 1oqk h ASP 26 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1oqk h ASP 26 Cb 0.60 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.15 1oqk h ASP 26 CO 0.03 0.08 -1.24 2.30 -1.72 0.00 0.00 179.24 178.69 1oqk n ILE 27 N -3.85 0.00 -1.65 0.35 -5.35 -0.96 -4.95 119.36 102.95 1oqk n ILE 27 Ca -0.02 -0.20 -0.52 0.00 -0.27 0.00 0.00 62.75 61.73 1oqk n ILE 27 Cb 0.17 0.40 -0.06 0.00 -1.74 0.00 0.00 39.64 38.42 1oqk n ILE 27 CO 0.00 0.00 0.00 1.67 -1.76 0.00 0.00 176.55 176.46 1oqk n GLN 28 N -1.71 1.47 -1.10 6.28 7.27 0.88 -0.45 117.38 130.03 1oqk n GLN 28 Ca -0.01 0.54 -0.03 0.00 0.07 0.00 0.00 57.00 57.56 1oqk n GLN 28 Cb 0.20 -2.24 -0.01 0.00 2.41 0.00 0.00 30.24 30.60 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 3.38 0.64 3.81 1.69 0.00 -1.25 -4.88 105.19 108.57 1oqk n GLY 29 Ca 0.21 -0.67 -0.32 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.07 3.89 -0.04 -0.61 2.07 0.41 -4.75 121.20 120.09 1oqk s ILE 30 Ca 0.00 0.74 -0.03 0.00 -1.41 0.00 0.00 60.65 59.95 1oqk s ILE 30 Cb 0.00 -3.36 0.01 0.00 0.13 0.00 0.00 42.46 39.24 1oqk s ILE 30 CO 0.00 -0.68 0.10 -0.94 -1.91 0.00 0.00 174.94 171.51 1oqk s SER 31 N -3.31 -0.10 0.00 4.50 1.04 -1.26 0.34 113.70 114.90 1oqk s SER 31 Ca 0.61 0.20 0.00 0.00 0.48 0.00 0.00 55.95 57.24 1oqk s SER 31 Cb -0.15 0.19 0.00 0.00 0.10 0.00 0.00 66.02 66.16 1oqk s SER 31 CO 0.47 -0.05 0.00 0.61 0.98 0.00 0.00 173.24 175.25 1oqk n GLY 32 N 3.17 -0.68 3.98 7.32 0.00 -0.23 -5.02 105.19 113.73 1oqk n GLY 32 Ca -0.14 -0.64 -0.19 0.00 0.00 0.00 0.00 46.02 45.06 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 -0.04 2.63 0.14 1.61 0.52 -1.26 0.13 118.95 122.68 1oqk s ARG 33 Ca 0.00 -1.43 0.02 0.00 -0.52 0.00 0.00 55.73 53.81 1oqk s ARG 33 Cb 0.00 -2.62 -0.04 0.00 0.52 0.00 0.00 34.95 32.82 1oqk s ARG 33 CO 0.00 -0.39 0.26 0.08 0.02 0.00 0.00 175.30 175.27 1oqk s VAL 34 N -2.46 5.25 0.00 3.52 1.01 0.27 0.05 120.40 128.04 1oqk s VAL 34 Ca 0.54 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.82 1oqk s VAL 34 Cb -0.07 -3.69 0.00 0.00 0.00 0.00 0.00 36.38 32.62 1oqk s VAL 34 CO 0.32 -0.07 0.00 0.55 0.00 0.00 0.00 175.10 175.90 1oqk n VAL 35 N -0.45 0.00 -3.57 2.92 3.14 -0.19 -1.85 118.33 118.33 1oqk n VAL 35 Ca -0.07 0.00 -0.11 0.00 -2.96 0.00 0.00 64.34 61.21 1oqk n VAL 35 Cb 0.54 -0.51 -0.03 0.00 -1.06 0.00 0.00 33.84 32.78 1oqk n VAL 35 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1oqk s ASP 36 N -4.56 -0.43 -0.06 6.55 2.15 -0.96 -4.68 116.67 114.69 1oqk s ASP 36 Ca 0.00 -0.22 0.03 0.00 0.43 0.00 0.00 52.55 52.79 1oqk s ASP 36 Cb 0.00 0.61 0.01 0.00 -0.30 0.00 0.00 42.92 43.24 1oqk s ASP 36 CO 0.00 -1.04 -0.13 -0.70 -0.17 0.00 0.00 175.17 173.13 1oqk s GLU 37 N -3.81 1.73 0.19 4.34 2.12 -1.26 0.01 118.70 122.01 1oqk s GLU 37 Ca 0.04 -0.46 0.10 0.00 0.36 0.00 0.00 54.97 55.01 1oqk s GLU 37 Cb -0.02 -1.44 -0.04 0.00 0.26 0.00 0.00 34.13 32.89 1oqk s GLU 37 CO -0.08 0.08 -0.20 0.99 -0.54 0.00 0.00 175.26 175.51 1oqk s THR 38 N 0.49 2.07 0.30 -1.70 2.01 0.27 -4.97 115.64 114.11 1oqk s THR 38 Ca -0.12 -2.03 0.04 0.00 0.31 0.00 0.00 61.69 59.89 1oqk s THR 38 Cb -0.15 -2.00 0.33 0.00 0.01 0.00 0.00 72.50 70.69 1oqk s THR 38 CO 0.03 -0.27 1.64 0.08 -0.69 0.00 0.00 174.62 175.41 1oqk h ARG 39 N 3.08 0.18 0.00 4.92 0.11 -2.01 -2.54 114.38 118.12 1oqk h ARG 39 Ca -0.43 -0.01 -0.10 0.00 0.10 0.00 0.00 59.98 59.54 1oqk h ARG 39 Cb 1.21 -0.04 -0.21 0.00 1.11 0.00 0.00 29.97 32.05 1oqk h ARG 39 CO 0.52 0.12 -0.77 0.27 0.10 0.00 0.00 179.97 180.20 1oqk n ASN 40 N -5.25 1.28 -3.66 0.08 2.04 -1.26 -4.26 115.26 104.24 1oqk n ASN 40 Ca 0.23 -2.79 -0.09 0.00 -0.44 0.00 0.00 54.58 51.49 1oqk n ASN 40 Cb 0.74 -0.39 -0.08 0.00 -2.53 0.00 0.00 39.78 37.52 1oqk n ASN 40 CO 0.00 0.00 0.00 -0.89 -0.44 0.00 0.00 177.26 175.93 1oqk s THR 41 N -1.38 -0.01 -0.21 5.53 2.01 -0.96 -2.09 115.64 118.54 1oqk s THR 41 Ca 0.34 0.03 -0.07 0.00 0.31 0.00 0.00 61.69 62.30 1oqk s THR 41 Cb 0.36 -0.87 -0.03 0.00 0.01 0.00 0.00 72.50 71.97 1oqk s THR 41 CO -0.12 0.01 0.04 -0.22 -0.69 0.00 0.00 174.62 173.65 1oqk s LEU 42 N 1.41 3.50 -0.22 4.42 1.98 0.19 0.96 118.68 130.93 1oqk s LEU 42 Ca -0.09 -0.11 -0.09 0.00 -2.89 0.00 0.00 54.13 50.95 1oqk s LEU 42 Cb -0.06 -1.90 -0.04 0.00 0.66 0.00 0.00 46.19 44.84 1oqk s LEU 42 CO -0.15 0.07 0.11 -0.60 -1.89 0.00 0.00 176.35 173.88 1oqk s ARG 43 N 1.01 4.00 -0.27 1.98 6.06 0.10 0.11 118.95 131.94 1oqk s ARG 43 Ca 0.03 -0.31 -0.04 0.00 -2.50 0.00 0.00 55.73 52.91 1oqk s ARG 43 Cb -0.14 -3.39 0.01 0.00 0.06 0.00 0.00 34.95 31.49 1oqk s ARG 43 CO 0.03 0.13 0.01 0.42 -2.50 0.00 0.00 175.30 173.39 1oqk s ILE 44 N 0.81 3.44 0.02 4.11 1.01 0.25 -1.02 121.20 129.82 1oqk s ILE 44 Ca 0.06 -0.82 0.04 0.00 0.00 0.00 0.00 60.65 59.93 1oqk s ILE 44 Cb -0.13 -2.75 -0.02 0.00 0.01 0.00 0.00 42.46 39.58 1oqk s ILE 44 CO 0.02 0.16 -0.12 -0.70 0.00 0.00 0.00 174.94 174.30 1oqk s GLU 45 N 1.42 0.86 -0.06 2.79 2.12 0.11 0.12 118.70 126.05 1oqk s GLU 45 Ca 0.02 -0.62 0.05 0.00 0.36 0.00 0.00 54.97 54.78 1oqk s GLU 45 Cb -0.17 -0.83 -0.01 0.00 0.26 0.00 0.00 34.13 33.38 1oqk s GLU 45 CO -0.01 0.21 -0.23 0.00 -0.54 0.00 0.00 175.26 174.69 1oqk s MET 46 N -0.87 2.58 0.59 4.30 0.23 0.36 0.79 119.30 127.28 1oqk s MET 46 Ca 0.01 -0.87 0.31 0.00 -1.03 0.00 0.00 55.69 54.12 1oqk s MET 46 Cb -0.07 -2.21 1.17 0.00 -1.53 0.00 0.00 34.83 32.19 1oqk s MET 46 CO 0.01 0.41 1.46 0.22 -2.03 0.00 0.00 175.02 175.09 1oqk h ASP 47 N 5.99 0.00 0.00 -1.18 3.58 -1.87 0.99 116.42 123.92 1oqk h ASP 47 Ca -0.34 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.11 1oqk h ASP 47 Cb 1.17 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.22 1oqk h ASP 47 CO 0.48 0.00 0.05 -0.78 -2.88 0.00 0.00 179.24 176.11 1oqk h ASP 48 N 0.00 0.00 0.00 2.28 3.58 -2.00 -3.44 116.42 116.84 1oqk h ASP 48 Ca 0.53 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.98 1oqk h ASP 48 Cb 2.78 0.00 0.00 0.00 1.72 0.00 0.00 39.33 43.83 1oqk h ASP 48 CO -0.01 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.96 1oqk n GLY 49 N -1.25 1.03 3.53 -0.78 0.00 0.34 -5.09 105.19 102.97 1oqk n GLY 49 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.31 3.78 0.12 1.61 0.52 -0.96 -4.96 118.95 118.75 1oqk s ARG 50 Ca 0.00 -0.43 0.10 0.00 -0.52 0.00 0.00 55.73 54.88 1oqk s ARG 50 Cb 0.00 -3.22 -0.04 0.00 0.52 0.00 0.00 34.95 32.21 1oqk s ARG 50 CO 0.00 0.06 -0.25 -1.83 0.02 0.00 0.00 175.30 173.30 1oqk s GLU 51 N 0.94 1.52 -0.26 3.54 -1.05 -1.26 -0.49 118.70 121.64 1oqk s GLU 51 Ca 0.03 -1.29 -0.23 0.00 -0.15 0.00 0.00 54.97 53.33 1oqk s GLU 51 Cb -0.14 -1.96 0.07 0.00 -0.44 0.00 0.00 34.13 31.66 1oqk s GLU 51 CO 0.03 0.46 0.69 -1.50 0.95 0.00 0.00 175.26 175.89 1oqk s ILE 52 N -1.07 -0.00 0.28 1.83 2.07 0.32 -4.97 121.20 119.65 1oqk s ILE 52 Ca 0.15 0.00 -0.05 0.00 -1.41 0.00 0.00 60.65 59.34 1oqk s ILE 52 Cb -0.10 -0.97 -0.05 0.00 0.13 0.00 0.00 42.46 41.47 1oqk s ILE 52 CO 0.07 0.00 0.54 0.28 -1.91 0.00 0.00 174.94 173.92 1oqk s THR 53 N 0.53 5.03 -0.27 4.00 -1.32 -1.26 0.87 115.64 123.22 1oqk s THR 53 Ca -0.01 0.06 -0.00 0.00 -1.21 0.00 0.00 61.69 60.52 1oqk s THR 53 Cb -0.05 -3.72 0.15 0.00 -1.51 0.00 0.00 72.50 67.37 1oqk s THR 53 CO -0.02 -0.29 0.40 -0.69 -2.21 0.00 0.00 174.62 171.82 1oqk s VAL 54 N -2.04 -0.64 0.29 5.08 1.01 0.29 -4.88 120.40 119.52 1oqk s VAL 54 Ca 0.44 -0.18 -0.27 0.00 0.00 0.00 0.00 61.98 61.97 1oqk s VAL 54 Cb -0.11 -0.91 -0.14 0.00 0.00 0.00 0.00 36.38 35.22 1oqk s VAL 54 CO 0.29 -0.20 0.85 -2.65 0.00 0.00 0.00 175.10 173.40 1oqk n PRO 55 N 5.36 0.97 0.00 2.72 -0.02 -1.26 0.57 135.00 143.34 1oqk n PRO 55 Ca -0.01 0.34 0.11 0.00 -2.02 0.00 0.00 63.50 61.92 1oqk n PRO 55 Cb 0.50 -1.63 0.06 0.00 -0.02 0.00 0.00 33.50 32.40 1oqk n PRO 55 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1oqk n LYS 56 N 0.74 1.88 -0.33 -0.52 5.02 -0.89 -4.41 118.16 119.65 1oqk n LYS 56 Ca 0.12 -1.56 0.23 0.00 -2.02 0.00 0.00 58.31 55.07 1oqk n LYS 56 Cb 0.32 -1.45 0.50 0.00 -0.02 0.00 0.00 35.03 34.38 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 4.61 1.26 -5.19 0.72 0.00 -1.71 -3.27 103.07 99.48 1oqk h GLY 57 Ca 0.00 -0.21 -0.29 0.00 0.00 0.00 0.00 47.33 46.83 1oqk h GLY 57 CO 0.00 -0.15 -0.60 1.39 0.00 0.00 0.00 176.54 177.19 1oqk n ILE 58 N -4.64 -0.07 -3.65 2.60 -0.00 -0.83 -4.45 119.36 108.31 1oqk n ILE 58 Ca 0.26 -2.06 -0.26 0.00 -0.00 0.00 0.00 62.75 60.68 1oqk n ILE 58 Cb 0.88 1.05 -0.17 0.00 -0.00 0.00 0.00 39.64 41.40 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 -0.06 0.59 -0.05 -1.39 0.00 -1.00 -0.36 121.76 119.49 1oqk s ALA 59 Ca 0.28 -0.40 -0.20 0.00 0.00 0.00 0.00 51.96 51.64 1oqk s ALA 59 Cb 0.27 -1.06 -0.05 0.00 0.00 0.00 0.00 23.12 22.29 1oqk s ALA 59 CO -0.11 -1.14 0.57 0.54 0.00 0.00 0.00 175.76 175.62 1oqk s VAL 60 N 2.06 5.03 -0.02 0.00 0.11 -0.67 0.87 120.40 127.79 1oqk s VAL 60 Ca 0.01 1.17 -0.24 0.00 -2.93 0.00 0.00 61.98 59.99 1oqk s VAL 60 Cb -0.16 -3.90 0.05 0.00 -1.53 0.00 0.00 36.38 30.84 1oqk s VAL 60 CO -0.08 0.36 0.53 0.72 -3.33 0.00 0.00 175.10 173.30 1oqk s PHE 61 N 0.23 -0.46 0.03 1.54 -0.12 0.93 -1.41 117.98 118.73 1oqk s PHE 61 Ca 0.30 0.71 0.07 0.00 -0.05 0.00 0.00 56.93 57.97 1oqk s PHE 61 Cb -0.17 0.30 -0.03 0.00 -0.63 0.00 0.00 43.02 42.49 1oqk s PHE 61 CO 0.15 -0.55 -0.19 -1.01 -0.05 0.00 0.00 175.22 173.56 1oqk s HIS 62 N -1.54 2.53 0.16 3.49 3.76 -0.36 0.59 115.29 123.91 1oqk s HIS 62 Ca -0.10 -0.28 0.03 0.00 -0.15 0.00 0.00 55.06 54.56 1oqk s HIS 62 Cb -0.02 -1.46 -0.04 0.00 1.11 0.00 0.00 32.58 32.17 1oqk s HIS 62 CO 0.05 0.22 0.25 -0.06 -0.85 0.00 0.00 174.74 174.35 1oqk s PHE 63 N -0.89 3.39 -0.06 1.40 0.40 0.25 -0.61 117.98 121.87 1oqk s PHE 63 Ca 0.14 0.08 0.02 0.00 -0.60 0.00 0.00 56.93 56.56 1oqk s PHE 63 Cb -0.10 -1.62 0.02 0.00 0.51 0.00 0.00 43.02 41.82 1oqk s PHE 63 CO 0.04 0.51 -0.09 1.03 0.70 0.00 0.00 175.22 177.42 1oqk s ARG 64 N -3.23 1.33 -0.16 0.44 1.81 0.12 -1.07 118.95 118.20 1oqk s ARG 64 Ca 0.34 -0.28 -0.05 0.00 -1.72 0.00 0.00 55.73 54.02 1oqk s ARG 64 Cb -0.11 -1.18 -0.03 0.00 -0.45 0.00 0.00 34.95 33.18 1oqk s ARG 64 CO 0.27 -0.03 0.00 0.99 -0.68 0.00 0.00 175.30 175.85 1oqk s THR 65 N 0.83 4.27 0.54 0.02 2.01 -0.94 -2.01 115.64 120.36 1oqk s THR 65 Ca -0.12 -0.22 0.33 0.00 0.31 0.00 0.00 61.69 61.98 1oqk s THR 65 Cb -0.15 -2.89 0.49 0.00 0.01 0.00 0.00 72.50 69.96 1oqk s THR 65 CO 0.02 0.49 1.86 1.55 -0.69 0.00 0.00 174.62 177.85 1oqk h PRO 66 N 6.60 0.00 0.00 4.92 0.13 -2.00 0.61 132.00 142.26 1oqk h PRO 66 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1oqk h PRO 66 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1oqk h PRO 66 CO 0.65 0.00 0.00 1.96 -0.23 0.00 0.00 178.00 180.38 1oqk h GLN 67 N 0.00 0.00 0.00 0.86 4.20 -2.06 -3.45 115.11 114.66 1oqk h GLN 67 Ca 0.44 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.15 1oqk h GLN 67 Cb 1.82 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.60 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 -0.94 0.70 3.38 3.46 0.00 0.21 -5.13 105.19 106.88 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 0.59 1.40 -0.23 1.61 2.02 -0.97 -4.98 118.70 118.15 1oqk s GLU 69 Ca 0.00 -1.39 0.01 0.00 0.02 0.00 0.00 54.97 53.60 1oqk s GLU 69 Cb 0.00 -1.77 0.06 0.00 0.10 0.00 0.00 34.13 32.52 1oqk s GLU 69 CO 0.00 0.40 -0.06 -1.17 0.02 0.00 0.00 175.26 174.45 1oqk s LEU 70 N -2.31 2.53 0.09 1.80 1.98 -1.26 -2.21 118.68 119.30 1oqk s LEU 70 Ca 0.16 -1.13 0.07 0.00 -2.89 0.00 0.00 54.13 50.34 1oqk s LEU 70 Cb -0.09 -1.19 -0.04 0.00 0.66 0.00 0.00 46.19 45.53 1oqk s LEU 70 CO 0.07 -0.22 -0.13 -0.69 -1.89 0.00 0.00 176.35 173.49 1oqk s VAL 71 N 1.39 3.17 -0.01 1.68 1.01 -0.23 -4.98 120.40 122.44 1oqk s VAL 71 Ca -0.05 -1.29 0.05 0.00 0.00 0.00 0.00 61.98 60.68 1oqk s VAL 71 Cb -0.18 -2.45 -0.01 0.00 0.00 0.00 0.00 36.38 33.73 1oqk s VAL 71 CO -0.06 0.15 -0.16 -1.83 0.00 0.00 0.00 175.10 173.20 1oqk s GLU 72 N -2.05 1.30 -0.00 2.72 -1.05 -1.26 0.87 118.70 119.23 1oqk s GLU 72 Ca 0.19 -0.59 0.01 0.00 -0.15 0.00 0.00 54.97 54.43 1oqk s GLU 72 Cb -0.11 -1.27 0.00 0.00 -0.44 0.00 0.00 34.13 32.32 1oqk s GLU 72 CO 0.11 0.35 -0.02 0.42 0.95 0.00 0.00 175.26 177.07 1oqk s ILE 73 N -0.41 0.17 -0.21 1.83 -1.09 0.20 -4.93 121.20 116.77 1oqk s ILE 73 Ca 0.06 -0.07 -0.05 0.00 -2.23 0.00 0.00 60.65 58.36 1oqk s ILE 73 Cb -0.06 -0.17 -0.02 0.00 -1.58 0.00 0.00 42.46 40.63 1oqk s ILE 73 CO -0.00 0.06 -0.00 -1.81 -1.23 0.00 0.00 174.94 171.96 1oqk s ASP 74 N 0.08 4.72 0.03 3.58 1.01 -1.26 -0.05 116.67 124.78 1oqk s ASP 74 Ca -0.00 -0.26 0.24 0.00 0.71 0.00 0.00 52.55 53.23 1oqk s ASP 74 Cb -0.02 -1.82 0.27 0.00 1.01 0.00 0.00 42.92 42.36 1oqk s ASP 74 CO -0.00 0.02 1.23 0.61 0.21 0.00 0.00 175.17 177.24 1oqk n GLY 75 N 4.53 -1.23 0.13 0.21 0.00 0.25 -2.82 105.19 106.27 1oqk n GLY 75 Ca -0.17 -0.38 -0.28 0.00 0.00 0.00 0.00 46.02 45.19 1oqk n GLY 75 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1oqk n ARG 76 N -1.71 0.59 -0.01 1.61 0.63 -1.26 -1.97 116.66 114.54 1oqk n ARG 76 Ca 0.04 0.30 0.10 0.00 -0.92 0.00 0.00 57.85 57.37 1oqk n ARG 76 Cb 0.38 -1.53 -0.14 0.00 0.45 0.00 0.00 32.46 31.61 1oqk n ARG 76 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1oqk n ALA 77 N -4.03 3.39 -1.51 5.13 0.00 -1.26 -4.47 120.51 117.76 1oqk n ALA 77 Ca -0.51 -0.52 -0.13 0.00 0.00 0.00 0.00 53.44 52.29 1oqk n ALA 77 Cb 0.87 -0.71 0.16 0.00 0.00 0.00 0.00 19.45 19.77 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 -1.96 4.93 -4.55 0.00 4.77 -1.13 -4.96 117.00 114.09 1oqk n LEU 78 Ca -0.01 -3.98 -0.40 0.00 -0.03 0.00 0.00 56.01 51.60 1oqk n LEU 78 Cb 0.46 -0.66 -0.03 0.00 -2.33 0.00 0.00 43.42 40.86 1oqk n LEU 78 CO 0.42 1.40 1.44 0.54 -1.33 0.00 0.00 177.39 179.86 1oqk s VAL 79 N -3.64 3.50 0.13 4.08 0.11 -1.25 -4.83 120.40 118.50 1oqk s VAL 79 Ca 0.49 0.30 0.06 0.00 -2.93 0.00 0.00 61.98 59.90 1oqk s VAL 79 Cb 0.43 -4.31 -0.04 0.00 -1.53 0.00 0.00 36.38 30.93 1oqk s VAL 79 CO 0.01 -1.25 0.01 0.00 -3.33 0.00 0.00 175.10 170.54 1oqk s ALA 80 N 7.75 3.27 -0.47 1.54 0.00 -1.26 -5.10 121.76 127.50 1oqk s ALA 80 Ca 0.55 -1.24 0.02 0.00 0.00 0.00 0.00 51.96 51.29 1oqk s ALA 80 Cb -0.11 -1.12 0.12 0.00 0.00 0.00 0.00 23.12 22.02 1oqk s ALA 80 CO 0.19 0.59 0.22 -0.98 0.00 0.00 0.00 175.76 175.77 1oqk s ARG 81 N -2.66 1.94 0.00 0.00 1.70 -1.26 -4.57 118.95 114.10 1oqk s ARG 81 Ca 0.27 -2.25 0.00 0.00 -0.47 0.00 0.00 55.73 53.28 1oqk s ARG 81 Cb -0.10 -3.40 0.00 0.00 -0.57 0.00 0.00 34.95 30.87 1oqk s ARG 81 CO 0.19 -1.06 0.03 -0.35 -1.08 0.00 0.00 175.30 173.03 1oqk n PRO 82 N 3.77 0.00 0.05 3.89 -0.04 -1.26 -2.79 135.00 138.62 1oqk n PRO 82 Ca 0.04 0.00 0.22 0.00 -0.04 0.00 0.00 63.50 63.72 1oqk n PRO 82 Cb 0.38 -0.34 0.70 0.00 -0.04 0.00 0.00 33.50 34.20 1oqk n PRO 82 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1oqk h GLU 83 N 0.00 0.00 -0.03 0.54 4.39 -2.04 0.85 114.58 118.29 1oqk h GLU 83 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1oqk h GLU 83 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1oqk h GLU 83 CO 0.00 0.00 0.00 -1.91 -1.16 0.00 0.00 179.01 175.94 1oqk n GLU 84 N -3.61 1.29 -1.31 2.33 4.07 -1.26 -5.03 120.64 117.13 1oqk n GLU 84 Ca 0.10 -0.42 0.03 0.00 -0.06 0.00 0.00 57.16 56.80 1oqk n GLU 84 Cb 0.76 -1.43 -0.02 0.00 -0.06 0.00 0.00 31.44 30.70 1oqk n GLU 84 CO 0.00 0.00 0.00 -2.13 -0.06 0.00 0.00 177.13 174.94 1oqk n ARG 85 N -0.43 -3.36 0.00 5.31 0.63 0.30 -5.04 116.66 114.05 1oqk n ARG 85 Ca 0.19 2.64 0.15 0.00 -0.92 0.00 0.00 57.85 59.90 1oqk n ARG 85 Cb 0.20 -3.39 0.64 0.00 0.45 0.00 0.00 32.46 30.36 1oqk n ARG 85 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23