#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 -1.67 0.01 -0.14 1.44 -1.26 -5.00 115.22 108.60 1oqk n HIS 10 Ca 0.00 0.20 -0.01 0.00 -2.01 0.00 0.00 57.72 55.90 1oqk n HIS 10 Cb 0.00 -1.70 -0.00 0.00 0.12 0.00 0.00 29.99 28.41 1oqk n HIS 10 CO 0.00 0.00 0.00 -1.91 -2.81 0.00 0.00 176.34 171.62 1oqk n GLU 11 N -1.49 0.05 -1.76 -1.40 2.13 -1.26 -4.99 120.64 111.92 1oqk n GLU 11 Ca 0.04 0.02 -0.16 0.00 0.66 0.00 0.00 57.16 57.73 1oqk n GLU 11 Cb 0.56 -0.36 -0.05 0.00 0.27 0.00 0.00 31.44 31.86 1oqk n GLU 11 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 1oqk n LEU 12 N -2.98 -1.26 -4.93 4.31 7.94 -1.26 -4.94 117.00 113.88 1oqk n LEU 12 Ca -0.01 0.30 -0.25 0.00 -1.11 0.00 0.00 56.01 54.94 1oqk n LEU 12 Cb 0.05 -2.36 -0.01 0.00 0.53 0.00 0.00 43.42 41.63 1oqk n LEU 12 CO 0.02 -0.63 0.29 -0.63 -1.11 0.00 0.00 177.39 175.33 1oqk s ILE 13 N -2.49 4.95 0.00 1.96 -1.09 -1.26 -4.31 121.20 118.96 1oqk s ILE 13 Ca 0.00 -0.21 0.00 0.00 -2.23 0.00 0.00 60.65 58.21 1oqk s ILE 13 Cb 0.00 -3.84 0.00 0.00 -1.58 0.00 0.00 42.46 37.04 1oqk s ILE 13 CO 0.00 -0.66 0.00 0.61 -1.23 0.00 0.00 174.94 173.66 1oqk n GLY 14 N -1.99 0.44 3.67 6.18 0.00 -1.26 -5.04 105.19 107.18 1oqk n GLY 14 Ca -0.02 -0.61 -0.27 0.00 0.00 0.00 0.00 46.02 45.12 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 3.35 0.56 0.99 1.43 -1.26 -4.86 118.68 118.89 1oqk s LEU 15 Ca 0.00 -0.34 -0.16 0.00 -1.03 0.00 0.00 54.13 52.60 1oqk s LEU 15 Cb 0.00 -2.03 -0.05 0.00 0.03 0.00 0.00 46.19 44.14 1oqk s LEU 15 CO 0.00 0.11 1.03 -0.44 0.23 0.00 0.00 176.35 177.28 1oqk s SER 16 N -2.78 6.10 -0.10 2.29 0.01 0.09 -3.15 113.70 116.15 1oqk s SER 16 Ca 0.27 1.74 -0.07 0.00 1.31 0.00 0.00 55.95 59.20 1oqk s SER 16 Cb -0.10 -2.53 0.04 0.00 0.21 0.00 0.00 66.02 63.64 1oqk s SER 16 CO 0.18 -0.95 0.26 0.54 0.41 0.00 0.00 173.24 173.69 1oqk s VAL 17 N -2.47 -0.02 0.00 3.43 0.11 0.74 -0.25 120.40 121.94 1oqk s VAL 17 Ca 0.62 0.07 0.01 0.00 -2.93 0.00 0.00 61.98 59.75 1oqk s VAL 17 Cb -0.14 -0.38 -0.01 0.00 -1.53 0.00 0.00 36.38 34.32 1oqk s VAL 17 CO 0.34 0.03 -0.04 0.00 -3.33 0.00 0.00 175.10 172.09 1oqk s ARG 18 N 0.66 0.34 -0.11 1.54 1.70 -0.91 0.60 118.95 122.77 1oqk s ARG 18 Ca -0.04 -0.22 -0.05 0.00 -0.47 0.00 0.00 55.73 54.95 1oqk s ARG 18 Cb -0.06 -0.29 -0.04 0.00 -0.57 0.00 0.00 34.95 34.00 1oqk s ARG 18 CO -0.04 0.08 0.08 0.42 -1.08 0.00 0.00 175.30 174.75 1oqk s ILE 19 N -0.27 4.97 -0.16 4.99 1.01 -0.93 -0.72 121.20 130.08 1oqk s ILE 19 Ca -0.00 0.01 0.13 0.00 0.00 0.00 0.00 60.65 60.79 1oqk s ILE 19 Cb -0.03 -3.14 -0.24 0.00 0.01 0.00 0.00 42.46 39.07 1oqk s ILE 19 CO -0.00 0.61 0.20 0.00 0.00 0.00 0.00 174.94 175.75 1oqk n ALA 20 N 2.10 1.46 -3.63 9.38 0.00 -0.52 -1.30 120.51 128.01 1oqk n ALA 20 Ca -0.19 -1.13 -0.10 0.00 0.00 0.00 0.00 53.44 52.02 1oqk n ALA 20 Cb 0.54 -0.37 -0.09 0.00 0.00 0.00 0.00 19.45 19.53 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 -2.52 0.53 0.13 0.00 0.52 -1.16 -3.70 118.95 112.74 1oqk s ARG 21 Ca -0.12 0.90 -0.00 0.00 -0.52 0.00 0.00 55.73 55.99 1oqk s ARG 21 Cb 0.07 0.09 -0.04 0.00 0.52 0.00 0.00 34.95 35.58 1oqk s ARG 21 CO 0.80 -0.14 0.03 -1.54 0.02 0.00 0.00 175.30 174.47 1oqk s SER 22 N 1.25 0.51 0.20 0.23 1.04 -1.26 0.65 113.70 116.32 1oqk s SER 22 Ca -0.08 -1.17 -0.11 0.00 0.48 0.00 0.00 55.95 55.08 1oqk s SER 22 Cb -0.06 0.25 0.26 0.00 0.10 0.00 0.00 66.02 66.56 1oqk s SER 22 CO -0.12 -0.68 1.72 1.62 0.98 0.00 0.00 173.24 176.76 1oqk h VAL 23 N 2.88 0.70 -3.02 5.02 3.04 -1.30 -3.40 116.25 120.17 1oqk h VAL 23 Ca -0.35 -0.10 -0.62 0.00 -1.01 0.00 0.00 66.70 64.62 1oqk h VAL 23 Cb 1.19 0.38 -0.09 0.00 -2.01 0.00 0.00 31.29 30.77 1oqk h VAL 23 CO 0.61 0.05 -0.39 -1.00 -1.01 0.00 0.00 177.57 175.83 1oqk s HIS 24 N -6.11 3.54 0.15 3.17 3.76 -1.26 -4.97 115.29 113.57 1oqk s HIS 24 Ca -0.13 0.59 0.35 0.00 -0.15 0.00 0.00 55.06 55.71 1oqk s HIS 24 Cb 0.17 -2.16 1.52 0.00 1.11 0.00 0.00 32.58 33.22 1oqk s HIS 24 CO 0.74 0.49 2.03 -0.09 -0.85 0.00 0.00 174.74 177.05 1oqk h ARG 25 N 5.76 0.00 -0.01 1.40 2.43 -1.96 -2.37 114.38 119.63 1oqk h ARG 25 Ca -0.48 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.69 1oqk h ARG 25 Cb 1.19 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.74 1oqk h ARG 25 CO 0.67 0.00 0.00 -0.40 -1.51 0.00 0.00 179.97 178.73 1oqk n ASP 26 N -3.02 0.19 0.00 -3.80 5.68 -1.26 -3.59 116.55 110.76 1oqk n ASP 26 Ca 0.00 -1.14 0.00 0.00 -0.50 0.00 0.00 54.79 53.15 1oqk n ASP 26 Cb 0.26 -0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.23 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 -0.81 0.01 -3.08 2.12 -5.35 -0.92 -5.04 119.36 106.29 1oqk n ILE 27 Ca 0.21 -0.13 -0.31 0.00 -0.27 0.00 0.00 62.75 62.26 1oqk n ILE 27 Cb 0.13 1.72 -0.05 0.00 -1.74 0.00 0.00 39.64 39.71 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 -0.01 3.86 -1.61 6.28 -2.07 -1.04 -3.94 119.66 121.12 1oqk s GLN 28 Ca 0.00 0.48 0.00 0.00 -1.82 0.00 0.00 55.36 54.02 1oqk s GLN 28 Cb 0.00 -2.46 0.00 0.00 -1.09 0.00 0.00 33.01 29.46 1oqk s GLN 28 CO 0.00 0.11 0.00 0.41 -1.32 0.00 0.00 175.29 174.49 1oqk n GLY 29 N -0.74 1.48 3.51 2.60 0.00 -0.42 -4.96 105.19 106.66 1oqk n GLY 29 Ca 0.02 -0.09 -0.37 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.39 4.79 0.19 -0.61 -1.09 -1.12 -4.87 121.20 116.10 1oqk s ILE 30 Ca 0.00 -0.02 -0.07 0.00 -2.23 0.00 0.00 60.65 58.33 1oqk s ILE 30 Cb 0.00 -3.27 -0.06 0.00 -1.58 0.00 0.00 42.46 37.55 1oqk s ILE 30 CO 0.00 0.29 0.47 -0.44 -1.23 0.00 0.00 174.94 174.03 1oqk s SER 31 N 1.68 6.57 0.00 3.58 0.01 -1.26 -2.20 113.70 122.08 1oqk s SER 31 Ca 0.07 0.77 0.00 0.00 1.31 0.00 0.00 55.95 58.10 1oqk s SER 31 Cb -0.16 -2.16 0.00 0.00 0.21 0.00 0.00 66.02 63.91 1oqk s SER 31 CO 0.07 -0.01 0.00 0.61 0.41 0.00 0.00 173.24 174.32 1oqk n GLY 32 N -0.02 1.64 3.94 3.44 0.00 0.20 -4.94 105.19 109.45 1oqk n GLY 32 Ca -0.01 -0.71 -0.20 0.00 0.00 0.00 0.00 46.02 45.10 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 0.40 2.54 0.13 1.61 1.81 -1.26 -0.19 118.95 124.00 1oqk s ARG 33 Ca 0.00 -1.53 0.03 0.00 -1.72 0.00 0.00 55.73 52.51 1oqk s ARG 33 Cb 0.00 -2.50 -0.04 0.00 -0.45 0.00 0.00 34.95 31.97 1oqk s ARG 33 CO 0.00 -0.38 0.20 0.54 -0.68 0.00 0.00 175.30 174.98 1oqk s VAL 34 N -2.51 4.99 0.03 3.52 0.11 0.12 -1.50 120.40 125.16 1oqk s VAL 34 Ca 0.51 -0.76 0.00 0.00 -2.93 0.00 0.00 61.98 58.79 1oqk s VAL 34 Cb -0.05 -3.52 0.00 0.00 -1.53 0.00 0.00 36.38 31.28 1oqk s VAL 34 CO 0.30 -0.03 0.00 0.52 -3.33 0.00 0.00 175.10 172.56 1oqk n VAL 35 N -0.22 0.02 -3.73 2.04 0.31 0.38 -1.66 118.33 115.47 1oqk n VAL 35 Ca -0.07 0.01 -0.08 0.00 -0.01 0.00 0.00 64.34 64.19 1oqk n VAL 35 Cb 0.53 -0.69 -0.02 0.00 -0.91 0.00 0.00 33.84 32.76 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 -5.02 -0.33 -0.11 4.52 2.15 -1.00 -4.95 116.67 111.93 1oqk s ASP 36 Ca 0.00 -0.42 0.01 0.00 0.43 0.00 0.00 52.55 52.57 1oqk s ASP 36 Cb 0.00 0.66 0.02 0.00 -0.30 0.00 0.00 42.92 43.30 1oqk s ASP 36 CO 0.00 -1.19 -0.14 -1.61 -0.17 0.00 0.00 175.17 172.06 1oqk s GLU 37 N -3.79 2.12 0.22 4.34 2.02 -1.26 -1.00 118.70 121.35 1oqk s GLU 37 Ca 0.08 -0.52 0.10 0.00 0.02 0.00 0.00 54.97 54.66 1oqk s GLU 37 Cb -0.04 -1.84 -0.04 0.00 0.10 0.00 0.00 34.13 32.31 1oqk s GLU 37 CO 0.01 -0.09 -0.12 0.99 0.02 0.00 0.00 175.26 176.07 1oqk s THR 38 N 1.07 2.95 0.30 3.63 2.01 0.23 -5.01 115.64 120.82 1oqk s THR 38 Ca -0.05 -1.94 -0.01 0.00 0.31 0.00 0.00 61.69 60.00 1oqk s THR 38 Cb -0.15 -2.50 0.42 0.00 0.01 0.00 0.00 72.50 70.29 1oqk s THR 38 CO -0.03 -0.23 1.57 0.08 -0.69 0.00 0.00 174.62 175.33 1oqk h ARG 39 N 2.60 0.01 0.00 4.92 0.11 -1.93 -2.59 114.38 117.51 1oqk h ARG 39 Ca -0.45 -0.00 -0.12 0.00 0.10 0.00 0.00 59.98 59.51 1oqk h ARG 39 Cb 1.23 -0.00 -0.26 0.00 1.11 0.00 0.00 29.97 32.05 1oqk h ARG 39 CO 0.56 0.01 -0.84 0.27 0.10 0.00 0.00 179.97 180.06 1oqk n ASN 40 N -5.52 1.08 -3.59 0.08 2.04 -1.25 -2.39 115.26 105.70 1oqk n ASN 40 Ca 0.21 -2.42 -0.14 0.00 -0.44 0.00 0.00 54.58 51.80 1oqk n ASN 40 Cb 0.69 -0.34 -0.06 0.00 -2.53 0.00 0.00 39.78 37.55 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 -0.74 0.03 0.32 5.53 -4.23 -0.98 -2.88 115.64 112.69 1oqk s THR 41 Ca 0.31 -0.26 0.11 0.00 -1.18 0.00 0.00 61.69 60.66 1oqk s THR 41 Cb 0.34 -0.95 -0.06 0.00 1.34 0.00 0.00 72.50 73.17 1oqk s THR 41 CO -0.13 -0.14 -0.14 -0.76 -0.54 0.00 0.00 174.62 172.91 1oqk s LEU 42 N -1.87 2.68 -0.10 4.79 1.43 0.17 0.77 118.68 126.55 1oqk s LEU 42 Ca -0.06 -1.12 -0.01 0.00 -1.03 0.00 0.00 54.13 51.91 1oqk s LEU 42 Cb -0.01 -1.06 0.03 0.00 0.03 0.00 0.00 46.19 45.18 1oqk s LEU 42 CO -0.00 -0.10 -0.01 -0.13 0.23 0.00 0.00 176.35 176.34 1oqk s ARG 43 N -3.57 0.81 -0.40 1.70 0.52 -0.17 -0.16 118.95 117.67 1oqk s ARG 43 Ca 0.31 -0.04 -0.10 0.00 -0.52 0.00 0.00 55.73 55.39 1oqk s ARG 43 Cb -0.01 -1.26 0.06 0.00 0.52 0.00 0.00 34.95 34.27 1oqk s ARG 43 CO 0.16 -0.34 0.24 0.42 0.02 0.00 0.00 175.30 175.79 1oqk s ILE 44 N 1.90 4.31 -0.02 1.52 1.01 0.18 0.14 121.20 130.24 1oqk s ILE 44 Ca 0.04 -1.23 0.05 0.00 0.00 0.00 0.00 60.65 59.51 1oqk s ILE 44 Cb -0.13 -3.56 -0.01 0.00 0.01 0.00 0.00 42.46 38.77 1oqk s ILE 44 CO -0.06 -0.41 -0.17 -0.70 0.00 0.00 0.00 174.94 173.59 1oqk s GLU 45 N 1.46 1.53 -0.01 2.79 2.12 -0.56 0.15 118.70 126.18 1oqk s GLU 45 Ca 0.02 -0.62 0.06 0.00 0.36 0.00 0.00 54.97 54.79 1oqk s GLU 45 Cb -0.22 -1.43 -0.03 0.00 0.26 0.00 0.00 34.13 32.72 1oqk s GLU 45 CO 0.03 0.34 -0.18 0.00 -0.54 0.00 0.00 175.26 174.92 1oqk s MET 46 N -0.28 2.26 0.57 4.30 0.23 0.96 0.13 119.30 127.47 1oqk s MET 46 Ca 0.04 -0.85 0.41 0.00 -1.03 0.00 0.00 55.69 54.26 1oqk s MET 46 Cb -0.08 -2.24 1.49 0.00 -1.53 0.00 0.00 34.83 32.47 1oqk s MET 46 CO 0.00 0.58 1.56 0.22 -2.03 0.00 0.00 175.02 175.35 1oqk h ASP 47 N 5.06 0.00 0.00 -1.18 3.58 -1.92 1.09 116.42 123.05 1oqk h ASP 47 Ca -0.46 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.99 1oqk h ASP 47 Cb 1.15 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.20 1oqk h ASP 47 CO 0.49 0.00 0.04 0.47 -2.88 0.00 0.00 179.24 177.36 1oqk n ASP 48 N -3.79 0.47 0.00 2.28 8.00 -1.26 -4.76 116.55 117.50 1oqk n ASP 48 Ca 0.34 0.70 0.00 0.00 0.71 0.00 0.00 54.79 56.55 1oqk n ASP 48 Cb 1.71 -0.75 0.00 0.00 -0.02 0.00 0.00 41.12 42.06 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 -1.31 0.92 3.47 0.44 0.00 0.37 -5.08 105.19 104.01 1oqk n GLY 49 Ca -0.01 -0.12 -0.36 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.38 3.71 0.09 1.61 1.81 -0.97 -4.94 118.95 119.88 1oqk s ARG 50 Ca 0.00 -0.45 0.10 0.00 -1.72 0.00 0.00 55.73 53.66 1oqk s ARG 50 Cb 0.00 -3.35 -0.03 0.00 -0.45 0.00 0.00 34.95 31.12 1oqk s ARG 50 CO 0.00 -0.15 -0.26 -1.83 -0.68 0.00 0.00 175.30 172.38 1oqk s GLU 51 N 1.53 1.55 -0.28 3.54 1.03 -1.26 -0.03 118.70 124.78 1oqk s GLU 51 Ca 0.06 -1.23 -0.11 0.00 0.03 0.00 0.00 54.97 53.72 1oqk s GLU 51 Cb -0.15 -1.89 0.11 0.00 -0.80 0.00 0.00 34.13 31.40 1oqk s GLU 51 CO 0.04 0.47 0.64 -1.50 -1.33 0.00 0.00 175.26 173.58 1oqk s ILE 52 N -0.95 -0.72 0.56 1.83 2.07 0.39 -4.94 121.20 119.45 1oqk s ILE 52 Ca 0.12 0.01 -0.16 0.00 -1.41 0.00 0.00 60.65 59.22 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 0.04 0.01 1.03 0.28 -1.91 0.00 0.00 174.94 174.39 1oqk s THR 53 N 2.55 4.05 -0.18 4.00 -1.32 -1.26 0.49 115.64 123.97 1oqk s THR 53 Ca -0.07 1.00 -0.07 0.00 -1.21 0.00 0.00 61.69 61.34 1oqk s THR 53 Cb -0.10 -3.50 0.08 0.00 -1.51 0.00 0.00 72.50 67.47 1oqk s THR 53 CO -0.19 -0.55 0.39 -0.69 -2.21 0.00 0.00 174.62 171.38 1oqk s VAL 54 N -2.48 -0.54 -0.05 5.08 1.01 0.77 -4.85 120.40 119.33 1oqk s VAL 54 Ca 0.62 0.18 -0.29 0.00 0.00 0.00 0.00 61.98 62.48 1oqk s VAL 54 Cb -0.14 -0.63 -0.07 0.00 0.00 0.00 0.00 36.38 35.54 1oqk s VAL 54 CO 0.34 0.07 1.98 -2.84 0.00 0.00 0.00 175.10 174.65 1oqk s PRO 55 N 2.43 3.87 0.00 2.72 0.02 -1.26 0.43 135.00 143.21 1oqk s PRO 55 Ca -0.02 2.37 0.22 0.00 0.02 0.00 0.00 61.00 63.59 1oqk s PRO 55 Cb -0.12 -4.19 0.08 0.00 0.02 0.00 0.00 34.50 30.29 1oqk s PRO 55 CO -0.12 -1.25 1.13 0.36 -0.33 0.00 0.00 177.00 176.79 1oqk n LYS 56 N 7.82 1.70 0.03 5.54 2.85 -1.22 -4.47 118.16 130.40 1oqk n LYS 56 Ca 0.22 -1.38 0.22 0.00 -1.05 0.00 0.00 58.31 56.32 1oqk n LYS 56 Cb 0.42 -1.44 0.65 0.00 -0.65 0.00 0.00 35.03 34.01 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 4.56 0.00 -5.44 2.58 0.00 -1.68 -2.72 103.07 100.37 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 -3.48 -0.10 -3.66 2.60 -0.00 -0.61 -4.39 119.36 109.72 1oqk n ILE 58 Ca 0.11 -2.83 -0.10 0.00 -0.00 0.00 0.00 62.75 59.92 1oqk n ILE 58 Cb 0.86 0.66 -0.11 0.00 -0.00 0.00 0.00 39.64 41.05 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 -0.84 -0.97 0.24 -1.39 0.00 -0.98 -0.88 121.76 116.93 1oqk s ALA 59 Ca 0.30 1.33 -0.30 0.00 0.00 0.00 0.00 51.96 53.30 1oqk s ALA 59 Cb 0.31 -1.21 -0.09 0.00 0.00 0.00 0.00 23.12 22.13 1oqk s ALA 59 CO -0.07 -0.69 0.93 0.54 0.00 0.00 0.00 175.76 176.46 1oqk s VAL 60 N 2.48 4.10 0.24 0.00 0.11 0.21 -0.29 120.40 127.25 1oqk s VAL 60 Ca -0.01 2.05 -0.17 0.00 -2.93 0.00 0.00 61.98 60.92 1oqk s VAL 60 Cb -0.12 -4.31 0.02 0.00 -1.53 0.00 0.00 36.38 30.44 1oqk s VAL 60 CO -0.11 0.49 0.58 0.72 -3.33 0.00 0.00 175.10 173.45 1oqk s PHE 61 N -1.19 0.00 -0.03 1.54 -0.12 -0.85 -1.43 117.98 115.89 1oqk s PHE 61 Ca 0.41 -0.39 0.00 0.00 -0.05 0.00 0.00 56.93 56.90 1oqk s PHE 61 Cb -0.26 0.44 0.03 0.00 -0.63 0.00 0.00 43.02 42.60 1oqk s PHE 61 CO 0.31 -1.06 -0.00 -1.01 -0.05 0.00 0.00 175.22 173.42 1oqk s HIS 62 N -3.93 0.37 -0.10 3.49 3.76 0.10 -1.63 115.29 117.36 1oqk s HIS 62 Ca 0.14 -0.02 -0.15 0.00 -0.15 0.00 0.00 55.06 54.88 1oqk s HIS 62 Cb -0.03 -0.46 -0.05 0.00 1.11 0.00 0.00 32.58 33.15 1oqk s HIS 62 CO 0.04 -0.15 0.37 -0.06 -0.85 0.00 0.00 174.74 174.09 1oqk s PHE 63 N 1.11 3.57 0.02 1.40 0.40 0.01 -2.15 117.98 122.34 1oqk s PHE 63 Ca -0.08 0.79 0.03 0.00 -0.60 0.00 0.00 56.93 57.07 1oqk s PHE 63 Cb -0.13 -2.35 -0.04 0.00 0.51 0.00 0.00 43.02 41.01 1oqk s PHE 63 CO -0.02 0.38 -0.03 1.03 0.70 0.00 0.00 175.22 177.28 1oqk s ARG 64 N -0.08 2.62 -0.13 0.44 3.00 0.65 0.18 118.95 125.63 1oqk s ARG 64 Ca 0.21 -0.71 -0.00 0.00 0.00 0.00 0.00 55.73 55.23 1oqk s ARG 64 Cb -0.15 -2.56 -0.02 0.00 0.00 0.00 0.00 34.95 32.23 1oqk s ARG 64 CO 0.09 0.60 -0.12 0.99 0.00 0.00 0.00 175.30 176.85 1oqk s THR 65 N -1.09 3.11 0.52 0.02 2.01 -0.07 -0.73 115.64 119.41 1oqk s THR 65 Ca 0.19 -0.64 0.34 0.00 0.31 0.00 0.00 61.69 61.89 1oqk s THR 65 Cb -0.11 -2.30 0.53 0.00 0.01 0.00 0.00 72.50 70.62 1oqk s THR 65 CO 0.10 0.53 1.79 -0.65 -0.69 0.00 0.00 174.62 175.70 1oqk h PRO 66 N 6.64 0.06 0.00 4.92 0.11 -1.89 0.90 132.00 142.73 1oqk h PRO 66 Ca -0.27 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 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 0.56 0.04 0.00 0.94 -0.21 0.00 0.00 178.00 179.33 1oqk n GLN 67 N -4.25 0.10 0.00 1.05 7.27 -1.26 -4.84 117.38 115.44 1oqk n GLN 67 Ca 0.26 0.36 0.00 0.00 0.07 0.00 0.00 57.00 57.69 1oqk n GLN 67 Cb 1.21 -1.69 0.00 0.00 2.41 0.00 0.00 30.24 32.16 1oqk n GLN 67 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1oqk n GLY 68 N -0.11 0.72 3.38 1.69 0.00 0.31 -5.13 105.19 106.05 1oqk n GLY 68 Ca 0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.77 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 0.56 1.39 -0.12 1.61 2.02 -0.95 -4.95 118.70 118.26 1oqk s GLU 69 Ca 0.00 -1.37 0.00 0.00 0.02 0.00 0.00 54.97 53.62 1oqk s GLU 69 Cb 0.00 -1.80 0.02 0.00 0.10 0.00 0.00 34.13 32.46 1oqk s GLU 69 CO 0.00 0.41 -0.11 -1.17 0.02 0.00 0.00 175.26 174.41 1oqk s LEU 70 N -2.21 1.46 0.08 1.80 1.98 -1.26 -0.89 118.68 119.64 1oqk s LEU 70 Ca 0.15 -0.38 0.08 0.00 -2.89 0.00 0.00 54.13 51.08 1oqk s LEU 70 Cb -0.09 -0.99 -0.04 0.00 0.66 0.00 0.00 46.19 45.73 1oqk s LEU 70 CO 0.07 -0.07 -0.16 -0.69 -1.89 0.00 0.00 176.35 173.61 1oqk s VAL 71 N 1.47 2.97 0.00 1.68 1.01 0.13 -4.98 120.40 122.68 1oqk s VAL 71 Ca 0.02 -1.31 0.03 0.00 0.00 0.00 0.00 61.98 60.73 1oqk s VAL 71 Cb -0.13 -2.33 -0.01 0.00 0.00 0.00 0.00 36.38 33.91 1oqk s VAL 71 CO -0.08 0.20 -0.10 -1.61 0.00 0.00 0.00 175.10 173.51 1oqk s GLU 72 N -1.88 0.80 0.00 2.72 2.02 -1.26 -0.81 118.70 120.30 1oqk s GLU 72 Ca 0.17 -0.46 -0.14 0.00 0.02 0.00 0.00 54.97 54.57 1oqk s GLU 72 Cb -0.11 -0.77 0.02 0.00 0.10 0.00 0.00 34.13 33.37 1oqk s GLU 72 CO 0.09 0.20 0.29 0.42 0.02 0.00 0.00 175.26 176.28 1oqk s ILE 73 N -0.43 0.07 -0.46 -1.63 1.01 -0.64 -4.99 121.20 114.14 1oqk s ILE 73 Ca 0.02 -0.57 -0.07 0.00 0.00 0.00 0.00 60.65 60.04 1oqk s ILE 73 Cb -0.05 -0.69 0.12 0.00 0.01 0.00 0.00 42.46 41.84 1oqk s ILE 73 CO -0.00 -0.31 0.30 1.51 0.00 0.00 0.00 174.94 176.44 1oqk s ASP 74 N -1.55 5.55 0.14 3.58 -4.77 -1.26 -2.00 116.67 116.35 1oqk s ASP 74 Ca -0.11 -1.98 0.15 0.00 -3.30 0.00 0.00 52.55 47.31 1oqk s ASP 74 Cb -0.04 -1.95 0.70 0.00 -1.09 0.00 0.00 42.92 40.54 1oqk s ASP 74 CO 0.02 -0.63 1.47 0.61 0.70 0.00 0.00 175.17 177.33 1oqk n GLY 75 N 4.76 -0.93 0.13 2.12 0.00 0.61 0.97 105.19 112.85 1oqk n GLY 75 Ca -0.05 0.06 -0.22 0.00 0.00 0.00 0.00 46.02 45.81 1oqk n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1oqk n ARG 76 N -1.88 0.68 0.00 1.61 1.74 -1.26 -1.58 116.66 115.98 1oqk n ARG 76 Ca 0.01 0.30 0.10 0.00 -0.77 0.00 0.00 57.85 57.49 1oqk n ARG 76 Cb 0.12 -1.65 -0.06 0.00 -1.02 0.00 0.00 32.46 29.85 1oqk n ARG 76 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1oqk n ALA 77 N -3.28 4.05 -2.04 7.54 0.00 -1.13 -4.42 120.51 121.24 1oqk n ALA 77 Ca -0.38 -0.60 -0.24 0.00 0.00 0.00 0.00 53.44 52.23 1oqk n ALA 77 Cb 0.94 -0.74 0.02 0.00 0.00 0.00 0.00 19.45 19.68 1oqk n ALA 77 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1oqk n LEU 78 N -0.76 4.94 -4.55 0.00 7.94 0.27 -5.02 117.00 119.83 1oqk n LEU 78 Ca 0.06 -4.77 -0.37 0.00 -1.11 0.00 0.00 56.01 49.82 1oqk n LEU 78 Cb 0.38 -0.35 -0.04 0.00 0.53 0.00 0.00 43.42 43.94 1oqk n LEU 78 CO 0.34 2.11 2.02 0.55 -1.11 0.00 0.00 177.39 181.30 1oqk n VAL 79 N -0.70 -0.05 -1.68 1.96 3.14 -1.26 -4.80 118.33 114.94 1oqk n VAL 79 Ca 0.44 -0.75 -0.43 0.00 -2.96 0.00 0.00 64.34 60.64 1oqk n VAL 79 Cb 0.95 -2.70 -0.03 0.00 -1.06 0.00 0.00 33.84 31.00 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 15.40 1.91 -2.71 1.55 0.00 -1.01 -4.98 120.51 130.67 1oqk n ALA 80 Ca 0.38 0.32 -0.27 0.00 0.00 0.00 0.00 53.44 53.86 1oqk n ALA 80 Cb 0.52 -2.56 -0.03 0.00 0.00 0.00 0.00 19.45 17.38 1oqk n ALA 80 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1oqk s ARG 81 N 2.82 3.54 0.00 0.00 1.04 -1.26 -3.92 118.95 121.16 1oqk s ARG 81 Ca 0.83 -0.28 0.00 0.00 -1.04 0.00 0.00 55.73 55.24 1oqk s ARG 81 Cb -0.52 -2.78 0.00 0.00 -2.04 0.00 0.00 34.95 29.60 1oqk s ARG 81 CO 0.39 0.34 0.00 -0.35 -0.04 0.00 0.00 175.30 175.64 1oqk n PRO 82 N -0.84 2.75 0.26 3.89 -0.04 -1.26 -4.81 135.00 134.95 1oqk n PRO 82 Ca -0.04 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.55 1oqk n PRO 82 Cb 0.54 0.00 0.73 0.00 -0.04 0.00 0.00 33.50 34.73 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 -0.05 0.54 5.08 -2.05 0.60 114.58 118.70 1oqk h GLU 83 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1oqk h GLU 83 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1oqk h GLU 83 CO 0.00 0.00 0.00 -1.91 -1.00 0.00 0.00 179.01 176.10 1oqk n GLU 84 N -2.59 0.91 -0.53 2.33 2.13 -1.26 -5.00 120.64 116.62 1oqk n GLU 84 Ca -0.02 0.00 0.07 0.00 0.66 0.00 0.00 57.16 57.87 1oqk n GLU 84 Cb 0.24 -1.02 -0.02 0.00 0.27 0.00 0.00 31.44 30.91 1oqk n GLU 84 CO 0.00 0.00 0.00 2.89 -0.41 0.00 0.00 177.13 179.61 1oqk n ARG 85 N -0.47 -1.08 0.00 5.31 1.85 0.20 -5.13 116.66 117.35 1oqk n ARG 85 Ca 0.00 0.71 0.12 0.00 -1.00 0.00 0.00 57.85 57.68 1oqk n ARG 85 Cb 0.01 -1.31 0.72 0.00 -1.05 0.00 0.00 32.46 30.83 1oqk n ARG 85 CO 0.00 0.00 0.00 -0.89 -0.01 0.00 0.00 177.63 176.73