#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 -1.65 2.89 8.25 -1.26 -4.94 115.22 118.51 1oqk n HIS 10 Ca 0.00 0.00 -0.56 0.00 -0.26 0.00 0.00 57.72 56.90 1oqk n HIS 10 Cb 0.00 0.18 -0.07 0.00 1.12 0.00 0.00 29.99 31.22 1oqk n HIS 10 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1oqk n GLU 11 N -2.39 1.14 0.00 -0.41 1.02 -1.26 -4.20 120.64 114.53 1oqk n GLU 11 Ca 0.00 0.40 0.00 0.00 -0.02 0.00 0.00 57.16 57.54 1oqk n GLU 11 Cb 0.00 -2.16 0.00 0.00 -0.02 0.00 0.00 31.44 29.26 1oqk n GLU 11 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1oqk n LEU 12 N 6.21 0.00 -4.43 -4.62 0.00 2.07 0.16 117.00 116.39 1oqk n LEU 12 Ca 0.30 0.00 -0.44 0.00 0.00 0.00 0.00 56.01 55.87 1oqk n LEU 12 Cb 0.14 0.00 -0.03 0.00 0.00 0.00 0.00 43.42 43.53 1oqk n LEU 12 CO 0.80 0.00 0.77 -0.51 0.00 0.00 0.00 177.39 178.46 1oqk s ILE 13 N 0.00 4.68 0.00 1.96 1.10 -1.26 -3.98 121.20 123.70 1oqk s ILE 13 Ca 0.00 -1.18 0.00 0.00 -0.51 0.00 0.00 60.65 58.96 1oqk s ILE 13 Cb 0.00 -4.68 0.00 0.00 0.15 0.00 0.00 42.46 37.93 1oqk s ILE 13 CO 0.00 -1.39 0.00 0.61 -2.11 0.00 0.00 174.94 172.05 1oqk n GLY 14 N 5.31 0.10 3.74 1.50 0.00 0.18 -4.91 105.19 111.11 1oqk n GLY 14 Ca 0.09 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.86 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 3.11 0.25 0.99 1.43 0.41 -4.72 118.68 120.16 1oqk s LEU 15 Ca 0.00 -1.09 0.10 0.00 -1.03 0.00 0.00 54.13 52.11 1oqk s LEU 15 Cb 0.00 -1.42 -0.05 0.00 0.03 0.00 0.00 46.19 44.75 1oqk s LEU 15 CO 0.00 -0.55 -0.09 -0.44 0.23 0.00 0.00 176.35 175.50 1oqk s SER 16 N -3.90 4.14 0.18 2.29 0.01 -0.97 0.53 113.70 115.99 1oqk s SER 16 Ca 0.41 -0.76 0.08 0.00 1.31 0.00 0.00 55.95 56.99 1oqk s SER 16 Cb 0.04 -0.62 -0.04 0.00 0.21 0.00 0.00 66.02 65.60 1oqk s SER 16 CO 0.22 0.04 -0.16 -0.69 0.41 0.00 0.00 173.24 173.06 1oqk s VAL 17 N -2.23 1.76 -0.19 3.43 1.01 0.37 -1.38 120.40 123.16 1oqk s VAL 17 Ca 0.29 -2.04 -0.04 0.00 0.00 0.00 0.00 61.98 60.18 1oqk s VAL 17 Cb -0.06 -1.92 0.08 0.00 0.00 0.00 0.00 36.38 34.48 1oqk s VAL 17 CO 0.17 -0.45 0.18 -0.60 0.00 0.00 0.00 175.10 174.40 1oqk s ARG 18 N -3.18 0.14 0.13 2.72 3.52 0.32 -0.29 118.95 122.32 1oqk s ARG 18 Ca 0.19 0.14 -0.19 0.00 -0.13 0.00 0.00 55.73 55.74 1oqk s ARG 18 Cb -0.03 -1.33 -0.07 0.00 -1.56 0.00 0.00 34.95 31.95 1oqk s ARG 18 CO 0.07 -0.64 0.62 0.42 -0.81 0.00 0.00 175.30 174.96 1oqk s ILE 19 N 2.27 4.68 -0.03 4.11 1.01 -1.04 -0.81 121.20 131.39 1oqk s ILE 19 Ca 0.05 1.20 0.06 0.00 0.00 0.00 0.00 60.65 61.96 1oqk s ILE 19 Cb -0.16 -3.88 -0.09 0.00 0.01 0.00 0.00 42.46 38.35 1oqk s ILE 19 CO -0.11 0.41 0.09 0.00 0.00 0.00 0.00 174.94 175.33 1oqk n ALA 20 N 1.30 2.07 -3.63 9.38 0.00 -1.10 -3.77 120.51 124.76 1oqk n ALA 20 Ca -0.07 -0.25 -0.09 0.00 0.00 0.00 0.00 53.44 53.02 1oqk n ALA 20 Cb 0.51 -0.06 -0.08 0.00 0.00 0.00 0.00 19.45 19.82 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 -2.30 0.68 0.12 0.00 0.52 -1.25 -4.22 118.95 112.49 1oqk s ARG 21 Ca -0.03 1.07 -0.01 0.00 -0.52 0.00 0.00 55.73 56.25 1oqk s ARG 21 Cb 0.03 0.18 -0.04 0.00 0.52 0.00 0.00 34.95 35.64 1oqk s ARG 21 CO 0.25 -0.13 0.03 -1.12 0.02 0.00 0.00 175.30 174.35 1oqk s SER 22 N 1.23 0.46 0.08 0.23 0.01 -1.26 -0.02 113.70 114.43 1oqk s SER 22 Ca -0.07 -1.16 -0.20 0.00 1.31 0.00 0.00 55.95 55.83 1oqk s SER 22 Cb -0.05 0.25 -0.09 0.00 0.21 0.00 0.00 66.02 66.34 1oqk s SER 22 CO -0.13 -0.68 1.57 1.62 0.41 0.00 0.00 173.24 176.02 1oqk h VAL 23 N 2.90 1.21 -3.13 3.43 3.04 -1.54 -3.43 116.25 118.74 1oqk h VAL 23 Ca -0.35 -0.69 -0.60 0.00 -1.01 0.00 0.00 66.70 64.06 1oqk h VAL 23 Cb 1.19 1.28 -0.06 0.00 -2.01 0.00 0.00 31.29 31.69 1oqk h VAL 23 CO 0.61 0.21 -0.17 -1.00 -1.01 0.00 0.00 177.57 176.21 1oqk s HIS 24 N -5.25 3.68 0.30 3.17 3.76 -1.26 -4.98 115.29 114.71 1oqk s HIS 24 Ca -0.14 0.99 0.20 0.00 -0.15 0.00 0.00 55.06 55.97 1oqk s HIS 24 Cb 0.07 -2.38 0.97 0.00 1.11 0.00 0.00 32.58 32.35 1oqk s HIS 24 CO 0.72 0.51 1.88 0.00 -0.85 0.00 0.00 174.74 177.00 1oqk h ARG 25 N 5.22 0.00 0.00 1.40 -0.00 -1.95 -1.83 114.38 117.22 1oqk h ARG 25 Ca -0.49 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 58.99 1oqk h ARG 25 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.18 1oqk h ARG 25 CO 0.65 0.27 0.00 -0.40 0.00 0.00 0.00 179.97 180.50 1oqk n ASP 26 N -3.70 0.00 0.00 7.04 5.75 -1.26 -2.97 116.55 121.41 1oqk n ASP 26 Ca -0.01 0.16 0.00 0.00 -0.01 0.00 0.00 54.79 54.93 1oqk n ASP 26 Cb 0.38 -0.36 0.00 0.00 -1.03 0.00 0.00 41.12 40.12 1oqk n ASP 26 CO 0.00 0.00 0.00 2.30 -0.11 0.00 0.00 177.20 179.39 1oqk n ILE 27 N -1.36 0.05 -3.02 2.12 -5.35 -0.95 -5.00 119.36 105.86 1oqk n ILE 27 Ca 0.08 -0.34 -0.35 0.00 -0.27 0.00 0.00 62.75 61.88 1oqk n ILE 27 Cb 0.19 1.32 -0.06 0.00 -1.74 0.00 0.00 39.64 39.35 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 -0.05 4.22 -1.32 6.28 0.74 -0.73 -3.77 119.66 125.03 1oqk s GLN 28 Ca 0.00 0.92 0.00 0.00 0.05 0.00 0.00 55.36 56.33 1oqk s GLN 28 Cb 0.00 -2.61 0.00 0.00 1.10 0.00 0.00 33.01 31.50 1oqk s GLN 28 CO 0.00 0.23 0.00 0.41 -0.55 0.00 0.00 175.29 175.38 1oqk n GLY 29 N 0.12 1.22 3.65 2.59 0.00 -1.25 -4.95 105.19 106.57 1oqk n GLY 29 Ca 0.02 -0.07 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.15 4.75 0.45 -0.61 1.01 -1.25 -4.87 121.20 118.53 1oqk s ILE 30 Ca 0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 60.65 60.60 1oqk s ILE 30 Cb 0.00 -3.12 -0.01 0.00 0.01 0.00 0.00 42.46 39.34 1oqk s ILE 30 CO 0.00 0.48 0.68 -0.44 0.00 0.00 0.00 174.94 175.66 1oqk s SER 31 N 0.17 5.87 0.00 3.58 0.01 -1.26 -2.50 113.70 119.57 1oqk s SER 31 Ca 0.04 0.34 0.00 0.00 1.31 0.00 0.00 55.95 57.65 1oqk s SER 31 Cb -0.12 -1.61 0.00 0.00 0.21 0.00 0.00 66.02 64.50 1oqk s SER 31 CO 0.01 -0.68 0.00 0.61 0.41 0.00 0.00 173.24 173.58 1oqk n GLY 32 N -2.09 -1.82 3.70 3.44 0.00 0.61 -4.91 105.19 104.12 1oqk n GLY 32 Ca 0.01 -1.13 -0.24 0.00 0.00 0.00 0.00 46.02 44.66 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 -1.66 2.26 0.21 1.61 3.00 -1.25 0.14 118.95 123.25 1oqk s ARG 33 Ca 0.00 -1.65 0.05 0.00 0.00 0.00 0.00 55.73 54.13 1oqk s ARG 33 Cb 0.00 -2.07 -0.04 0.00 0.00 0.00 0.00 34.95 32.85 1oqk s ARG 33 CO 0.00 0.09 0.23 0.08 0.00 0.00 0.00 175.30 175.70 1oqk s VAL 34 N -2.48 4.78 0.00 3.52 1.01 -0.21 -0.77 120.40 126.25 1oqk s VAL 34 Ca 0.37 -1.11 0.00 0.00 0.00 0.00 0.00 61.98 61.24 1oqk s VAL 34 Cb -0.01 -3.53 0.00 0.00 0.00 0.00 0.00 36.38 32.84 1oqk s VAL 34 CO 0.22 -0.24 0.00 0.55 0.00 0.00 0.00 175.10 175.63 1oqk n VAL 35 N -0.90 0.00 -3.62 2.92 3.14 0.32 -2.07 118.33 118.13 1oqk n VAL 35 Ca -0.08 0.00 -0.10 0.00 -2.96 0.00 0.00 64.34 61.20 1oqk n VAL 35 Cb 0.56 -1.22 -0.02 0.00 -1.06 0.00 0.00 33.84 32.10 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 -4.88 -0.42 -0.02 6.55 2.15 -0.86 -4.88 116.67 114.30 1oqk s ASP 36 Ca 0.00 -0.27 -0.02 0.00 0.43 0.00 0.00 52.55 52.70 1oqk s ASP 36 Cb 0.00 0.64 -0.04 0.00 -0.30 0.00 0.00 42.92 43.22 1oqk s ASP 36 CO 0.00 -1.11 0.11 -1.61 -0.17 0.00 0.00 175.17 172.39 1oqk s GLU 37 N -3.78 3.20 0.18 4.34 0.41 -1.26 -0.88 118.70 120.92 1oqk s GLU 37 Ca 0.06 -0.40 0.10 0.00 -0.41 0.00 0.00 54.97 54.31 1oqk s GLU 37 Cb -0.03 -2.96 -0.04 0.00 -1.78 0.00 0.00 34.13 29.32 1oqk s GLU 37 CO -0.04 0.67 -0.20 0.99 -0.49 0.00 0.00 175.26 176.19 1oqk s THR 38 N -1.21 2.03 0.30 3.63 2.01 0.31 -4.90 115.64 117.81 1oqk s THR 38 Ca 0.23 -1.98 0.01 0.00 0.31 0.00 0.00 61.69 60.27 1oqk s THR 38 Cb -0.12 -1.96 0.41 0.00 0.01 0.00 0.00 72.50 70.84 1oqk s THR 38 CO 0.14 -0.25 1.57 -0.09 -0.69 0.00 0.00 174.62 175.30 1oqk h ARG 39 N 3.19 0.01 0.00 4.92 2.43 -2.00 -2.49 114.38 120.44 1oqk h ARG 39 Ca -0.44 -0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 58.69 1oqk h ARG 39 Cb 1.21 -0.00 -0.09 0.00 -0.42 0.00 0.00 29.97 30.66 1oqk h ARG 39 CO 0.50 0.01 -0.52 0.27 -1.51 0.00 0.00 179.97 178.73 1oqk n ASN 40 N -5.48 1.00 -3.76 -3.80 2.04 -1.26 -3.93 115.26 100.08 1oqk n ASN 40 Ca 0.23 -2.51 -0.08 0.00 -0.44 0.00 0.00 54.58 51.78 1oqk n ASN 40 Cb 0.74 -0.32 -0.02 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 -1.09 0.00 -0.14 5.53 -4.23 -0.94 -4.07 115.64 110.71 1oqk s THR 41 Ca 0.21 -1.09 -0.02 0.00 -1.18 0.00 0.00 61.69 59.61 1oqk s THR 41 Cb 0.21 -2.16 0.04 0.00 1.34 0.00 0.00 72.50 71.93 1oqk s THR 41 CO -0.04 0.00 0.00 -0.76 -0.54 0.00 0.00 174.62 173.28 1oqk s LEU 42 N -2.96 1.02 -0.18 4.79 1.43 -0.63 0.11 118.68 122.26 1oqk s LEU 42 Ca 0.14 -0.49 -0.29 0.00 -1.03 0.00 0.00 54.13 52.46 1oqk s LEU 42 Cb -0.05 -0.60 -0.00 0.00 0.03 0.00 0.00 46.19 45.57 1oqk s LEU 42 CO 0.08 -0.24 1.09 -0.60 0.23 0.00 0.00 176.35 176.91 1oqk s ARG 43 N 1.86 4.29 -0.33 1.70 3.52 -0.06 -1.00 118.95 128.94 1oqk s ARG 43 Ca 0.02 1.45 -0.16 0.00 -0.13 0.00 0.00 55.73 56.90 1oqk s ARG 43 Cb -0.15 -3.64 -0.01 0.00 -1.56 0.00 0.00 34.95 29.59 1oqk s ARG 43 CO -0.07 -0.57 0.43 0.42 -0.81 0.00 0.00 175.30 174.70 1oqk s ILE 44 N 2.94 5.11 -0.07 4.11 1.01 0.46 0.12 121.20 134.88 1oqk s ILE 44 Ca 0.48 0.25 0.03 0.00 0.00 0.00 0.00 60.65 61.40 1oqk s ILE 44 Cb -0.18 -3.86 -0.02 0.00 0.01 0.00 0.00 42.46 38.41 1oqk s ILE 44 CO 0.11 -0.10 -0.15 -0.70 0.00 0.00 0.00 174.94 174.09 1oqk s GLU 45 N 2.18 2.73 -0.10 2.79 2.12 0.05 -0.07 118.70 128.40 1oqk s GLU 45 Ca 0.15 -0.72 0.03 0.00 0.36 0.00 0.00 54.97 54.79 1oqk s GLU 45 Cb -0.16 -2.41 -0.01 0.00 0.26 0.00 0.00 34.13 31.81 1oqk s GLU 45 CO 0.12 0.49 -0.21 -1.64 -0.54 0.00 0.00 175.26 173.47 1oqk s MET 46 N -0.38 3.06 0.58 4.30 -1.94 -0.50 -1.04 119.30 123.37 1oqk s MET 46 Ca 0.04 -0.84 0.34 0.00 -1.71 0.00 0.00 55.69 53.52 1oqk s MET 46 Cb -0.12 -2.36 1.40 0.00 2.01 0.00 0.00 34.83 35.75 1oqk s MET 46 CO 0.02 0.22 1.68 0.22 -0.01 0.00 0.00 175.02 177.15 1oqk h ASP 47 N 6.61 0.00 0.00 3.03 3.58 -1.86 0.58 116.42 128.36 1oqk h ASP 47 Ca -0.22 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.23 1oqk h ASP 47 Cb 1.23 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.28 1oqk h ASP 47 CO 0.49 0.00 0.01 -0.67 -2.88 0.00 0.00 179.24 176.19 1oqk n ASP 48 N -3.77 0.25 0.00 2.28 2.03 -1.26 -4.74 116.55 111.34 1oqk n ASP 48 Ca 0.22 0.61 0.00 0.00 0.52 0.00 0.00 54.79 56.14 1oqk n ASP 48 Cb 1.24 -0.64 0.00 0.00 -0.72 0.00 0.00 41.12 40.99 1oqk n ASP 48 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1oqk n GLY 49 N -1.40 1.08 3.85 0.27 0.00 0.20 -5.10 105.19 104.08 1oqk n GLY 49 Ca -0.01 -0.03 -0.22 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.15 3.02 -0.19 1.61 0.52 -0.86 -4.98 118.95 117.92 1oqk s ARG 50 Ca 0.00 -1.00 -0.10 0.00 -0.52 0.00 0.00 55.73 54.12 1oqk s ARG 50 Cb 0.00 -2.63 0.07 0.00 0.52 0.00 0.00 34.95 32.91 1oqk s ARG 50 CO 0.00 0.41 0.46 -1.21 0.02 0.00 0.00 175.30 174.97 1oqk s GLU 51 N -3.87 0.42 0.02 3.54 2.02 -1.26 -1.41 118.70 118.16 1oqk s GLU 51 Ca 0.33 0.92 -0.23 0.00 0.02 0.00 0.00 54.97 56.01 1oqk s GLU 51 Cb -0.08 0.10 0.05 0.00 0.10 0.00 0.00 34.13 34.30 1oqk s GLU 51 CO 0.26 -0.18 0.51 -1.50 0.02 0.00 0.00 175.26 174.37 1oqk s ILE 52 N 1.73 0.03 0.24 -1.63 2.07 0.91 -5.00 121.20 119.55 1oqk s ILE 52 Ca -0.08 -0.25 -0.04 0.00 -1.41 0.00 0.00 60.65 58.87 1oqk s ILE 52 Cb -0.09 -0.93 -0.05 0.00 0.13 0.00 0.00 42.46 41.53 1oqk s ILE 52 CO -0.14 -0.14 0.48 -0.89 -1.91 0.00 0.00 174.94 172.35 1oqk s THR 53 N -2.03 5.09 -0.24 4.00 2.01 -1.26 0.17 115.64 123.38 1oqk s THR 53 Ca -0.08 -0.06 -0.03 0.00 0.31 0.00 0.00 61.69 61.83 1oqk s THR 53 Cb -0.01 -3.72 0.13 0.00 0.01 0.00 0.00 72.50 68.91 1oqk s THR 53 CO 0.01 -0.23 0.40 -0.69 -0.69 0.00 0.00 174.62 173.43 1oqk s VAL 54 N -1.96 -0.64 -0.03 3.82 1.01 -0.17 -4.84 120.40 117.59 1oqk s VAL 54 Ca 0.42 -0.03 -0.29 0.00 0.00 0.00 0.00 61.98 62.08 1oqk s VAL 54 Cb -0.11 -0.81 -0.08 0.00 0.00 0.00 0.00 36.38 35.39 1oqk s VAL 54 CO 0.29 -0.08 2.00 -2.16 0.00 0.00 0.00 175.10 175.15 1oqk s PRO 55 N 2.58 3.90 0.00 2.72 0.04 -1.26 -1.60 135.00 141.38 1oqk s PRO 55 Ca 0.11 2.43 0.23 0.00 0.04 0.00 0.00 61.00 63.81 1oqk s PRO 55 Cb -0.15 -4.20 0.12 0.00 0.04 0.00 0.00 34.50 30.31 1oqk s PRO 55 CO -0.16 -1.23 1.18 0.36 0.04 0.00 0.00 177.00 177.19 1oqk n LYS 56 N 7.81 1.91 -0.01 4.56 0.00 -1.26 -4.47 118.16 126.70 1oqk n LYS 56 Ca 0.22 -1.59 0.23 0.00 -0.00 0.00 0.00 58.31 57.17 1oqk n LYS 56 Cb 0.42 -1.45 0.64 0.00 -0.00 0.00 0.00 35.03 34.64 1oqk n LYS 56 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 1oqk h GLY 57 N 4.61 0.00 -5.49 2.58 0.00 -1.71 -2.42 103.07 100.64 1oqk h GLY 57 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 46.97 1oqk h GLY 57 CO 0.00 0.00 -0.81 1.39 0.00 0.00 0.00 176.54 177.12 1oqk n ILE 58 N -3.52 -0.11 -3.62 2.60 -0.00 -0.23 -4.15 119.36 110.34 1oqk n ILE 58 Ca 0.13 -3.00 -0.16 0.00 -0.00 0.00 0.00 62.75 59.73 1oqk n ILE 58 Cb 0.95 0.54 -0.14 0.00 -0.00 0.00 0.00 39.64 40.99 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 -0.98 -0.38 -0.05 -1.39 0.00 -0.91 -1.47 121.76 116.59 1oqk s ALA 59 Ca 0.31 0.66 -0.30 0.00 0.00 0.00 0.00 51.96 52.63 1oqk s ALA 59 Cb 0.31 -1.04 -0.05 0.00 0.00 0.00 0.00 23.12 22.34 1oqk s ALA 59 CO -0.08 -0.77 1.42 0.14 0.00 0.00 0.00 175.76 176.48 1oqk s VAL 60 N 2.36 3.81 0.06 0.00 -7.23 0.97 -0.00 120.40 120.37 1oqk s VAL 60 Ca 0.03 1.11 0.05 0.00 -1.81 0.00 0.00 61.98 61.37 1oqk s VAL 60 Cb -0.13 -3.72 -0.04 0.00 0.56 0.00 0.00 36.38 33.06 1oqk s VAL 60 CO -0.09 -0.04 -0.08 -0.36 -0.31 0.00 0.00 175.10 174.22 1oqk s PHE 61 N 2.98 2.81 -0.25 2.82 0.40 0.29 -2.72 117.98 124.31 1oqk s PHE 61 Ca 0.64 -0.10 -0.04 0.00 -0.60 0.00 0.00 56.93 56.83 1oqk s PHE 61 Cb -0.30 -1.51 0.09 0.00 0.51 0.00 0.00 43.02 41.81 1oqk s PHE 61 CO 0.25 0.40 0.10 -1.01 0.70 0.00 0.00 175.22 175.66 1oqk s HIS 62 N -1.13 0.61 -0.09 0.36 3.76 0.01 0.20 115.29 119.02 1oqk s HIS 62 Ca 0.20 -0.89 -0.02 0.00 -0.15 0.00 0.00 55.06 54.20 1oqk s HIS 62 Cb -0.11 -1.00 -0.03 0.00 1.11 0.00 0.00 32.58 32.54 1oqk s HIS 62 CO 0.11 -0.74 0.02 -0.59 -0.85 0.00 0.00 174.74 172.70 1oqk s PHE 63 N 2.00 3.22 0.09 1.40 -0.12 -0.51 0.12 117.98 124.17 1oqk s PHE 63 Ca 0.06 0.24 0.05 0.00 -0.05 0.00 0.00 56.93 57.23 1oqk s PHE 63 Cb -0.16 -1.80 -0.04 0.00 -0.63 0.00 0.00 43.02 40.38 1oqk s PHE 63 CO -0.25 0.51 -0.00 1.03 -0.05 0.00 0.00 175.22 176.46 1oqk s ARG 64 N -0.94 2.55 -0.11 1.99 3.00 -0.48 -0.69 118.95 124.27 1oqk s ARG 64 Ca 0.14 -0.83 -0.03 0.00 0.00 0.00 0.00 55.73 55.01 1oqk s ARG 64 Cb -0.11 -2.54 -0.03 0.00 0.00 0.00 0.00 34.95 32.26 1oqk s ARG 64 CO 0.03 0.54 0.01 0.99 0.00 0.00 0.00 175.30 176.88 1oqk s THR 65 N -1.30 4.39 0.42 0.02 2.01 0.11 -2.28 115.64 119.00 1oqk s THR 65 Ca 0.25 -0.21 0.25 0.00 0.31 0.00 0.00 61.69 62.30 1oqk s THR 65 Cb -0.12 -2.88 0.44 0.00 0.01 0.00 0.00 72.50 69.96 1oqk s THR 65 CO 0.18 0.57 1.68 -0.65 -0.69 0.00 0.00 174.62 175.71 1oqk h PRO 66 N 5.55 0.20 0.00 4.92 0.11 -1.88 0.99 132.00 141.88 1oqk h PRO 66 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1oqk h PRO 66 Cb 1.19 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1oqk h PRO 66 CO 0.58 0.13 0.00 1.96 -0.21 0.00 0.00 178.00 180.46 1oqk h GLN 67 N 0.20 0.00 0.00 1.05 4.20 -1.98 -3.44 115.11 115.14 1oqk h GLN 67 Ca 0.73 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.44 1oqk h GLN 67 Cb 2.15 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.93 1oqk h GLN 67 CO -0.39 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.18 1oqk n GLY 68 N -1.07 0.72 3.32 3.46 0.00 0.34 -5.13 105.19 106.82 1oqk n GLY 68 Ca -0.01 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.80 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 1.24 -0.01 1.61 2.02 -0.94 -4.93 118.70 118.24 1oqk s GLU 69 Ca 0.00 -1.42 0.05 0.00 0.02 0.00 0.00 54.97 53.63 1oqk s GLU 69 Cb 0.00 -1.21 -0.01 0.00 0.10 0.00 0.00 34.13 33.01 1oqk s GLU 69 CO 0.00 0.23 -0.17 -1.17 0.02 0.00 0.00 175.26 174.18 1oqk s LEU 70 N -2.77 2.04 -0.02 1.80 2.96 -1.26 0.05 118.68 121.48 1oqk s LEU 70 Ca 0.16 -0.32 0.01 0.00 -0.22 0.00 0.00 54.13 53.76 1oqk s LEU 70 Cb -0.04 -0.86 0.01 0.00 0.50 0.00 0.00 46.19 45.80 1oqk s LEU 70 CO 0.06 0.20 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.56 1oqk s VAL 71 N -0.43 0.42 0.19 1.68 1.01 0.14 -5.00 120.40 118.41 1oqk s VAL 71 Ca 0.06 -0.13 -0.07 0.00 0.00 0.00 0.00 61.98 61.84 1oqk s VAL 71 Cb -0.07 -0.41 -0.06 0.00 0.00 0.00 0.00 36.38 35.84 1oqk s VAL 71 CO -0.00 0.16 0.47 -1.61 0.00 0.00 0.00 175.10 174.12 1oqk s GLU 72 N 0.44 3.72 -0.07 2.72 8.01 -1.26 -1.43 118.70 130.84 1oqk s GLU 72 Ca -0.05 0.11 -0.04 0.00 0.01 0.00 0.00 54.97 55.00 1oqk s GLU 72 Cb -0.09 -2.73 0.03 0.00 -4.31 0.00 0.00 34.13 27.03 1oqk s GLU 72 CO -0.00 0.38 0.16 0.42 0.01 0.00 0.00 175.26 176.23 1oqk s ILE 73 N -1.75 -0.03 -0.47 -1.63 1.01 0.55 -4.94 121.20 113.94 1oqk s ILE 73 Ca 0.45 0.11 -0.08 0.00 0.00 0.00 0.00 60.65 61.12 1oqk s ILE 73 Cb -0.12 -0.25 0.12 0.00 0.01 0.00 0.00 42.46 42.23 1oqk s ILE 73 CO 0.23 0.04 0.33 -1.81 0.00 0.00 0.00 174.94 173.73 1oqk s ASP 74 N 0.76 5.63 0.11 3.58 1.11 -1.26 0.10 116.67 126.70 1oqk s ASP 74 Ca -0.06 -1.99 0.18 0.00 0.18 0.00 0.00 52.55 50.87 1oqk s ASP 74 Cb -0.07 -1.98 0.77 0.00 1.07 0.00 0.00 42.92 42.71 1oqk s ASP 74 CO -0.04 -0.65 1.57 0.61 1.18 0.00 0.00 175.17 177.84 1oqk n GLY 75 N 4.78 -1.12 0.21 0.21 0.00 0.99 -1.90 105.19 108.37 1oqk n GLY 75 Ca -0.06 0.01 -0.14 0.00 0.00 0.00 0.00 46.02 45.83 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 0.69 -0.04 1.61 3.08 -1.75 -0.50 114.38 117.47 1oqk h ARG 76 Ca 0.00 -0.42 0.00 0.00 0.07 0.00 0.00 59.98 59.63 1oqk h ARG 76 Cb 0.30 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.39 1oqk h ARG 76 CO 0.00 1.04 0.00 0.00 -1.07 0.00 0.00 179.97 179.94 1oqk n ALA 77 N -2.52 2.46 1.44 0.04 0.00 -1.16 -4.29 120.51 116.47 1oqk n ALA 77 Ca -0.05 -0.69 0.12 0.00 0.00 0.00 0.00 53.44 52.82 1oqk n ALA 77 Cb 0.53 -0.76 0.70 0.00 0.00 0.00 0.00 19.45 19.92 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 1.27 0.00 -4.51 0.00 -0.00 -0.80 -4.81 117.00 108.15 1oqk n LEU 78 Ca 0.13 0.09 -0.40 0.00 -0.00 0.00 0.00 56.01 55.84 1oqk n LEU 78 Cb 0.56 -0.09 -0.10 0.00 -0.00 0.00 0.00 43.42 43.80 1oqk n LEU 78 CO 0.14 -0.02 2.11 0.52 -0.00 0.00 0.00 177.39 180.14 1oqk n VAL 79 N -1.09 -0.02 -3.44 1.96 0.31 -1.26 -4.87 118.33 109.91 1oqk n VAL 79 Ca 0.16 -0.35 -0.43 0.00 -0.01 0.00 0.00 64.34 63.72 1oqk n VAL 79 Cb 0.12 -1.52 -0.07 0.00 -0.91 0.00 0.00 33.84 31.46 1oqk n VAL 79 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1oqk s ALA 80 N 10.16 3.50 0.01 3.52 0.00 -1.25 -4.64 121.76 133.06 1oqk s ALA 80 Ca 1.18 -2.39 0.08 0.00 0.00 0.00 0.00 51.96 50.84 1oqk s ALA 80 Cb -0.80 -3.01 -0.03 0.00 0.00 0.00 0.00 23.12 19.29 1oqk s ALA 80 CO 0.40 -1.87 -0.23 0.50 0.00 0.00 0.00 175.76 174.56 1oqk s ARG 81 N 1.51 2.04 0.49 0.00 3.52 -1.26 -4.48 118.95 120.78 1oqk s ARG 81 Ca 0.04 -0.98 0.23 0.00 -0.13 0.00 0.00 55.73 54.89 1oqk s ARG 81 Cb -0.27 -2.08 1.28 0.00 -1.56 0.00 0.00 34.95 32.32 1oqk s ARG 81 CO 0.03 0.55 1.95 -1.35 -0.81 0.00 0.00 175.30 175.66 1oqk h PRO 82 N 5.07 0.15 0.00 5.12 0.11 -1.74 -1.44 132.00 139.27 1oqk h PRO 82 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1oqk h PRO 82 Cb 1.14 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1oqk h PRO 82 CO 0.46 0.10 -1.41 0.39 -0.21 0.00 0.00 178.00 177.33 1oqk n GLU 83 N -4.40 0.49 -0.09 1.05 -0.58 -1.26 -4.73 120.64 111.11 1oqk n GLU 83 Ca 0.13 -0.09 -0.18 0.00 -0.42 0.00 0.00 57.16 56.60 1oqk n GLU 83 Cb 0.64 -1.23 -0.12 0.00 -0.57 0.00 0.00 31.44 30.17 1oqk n GLU 83 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 1oqk h GLU 84 N 0.00 0.00 0.00 3.49 4.57 -1.90 -3.48 114.58 117.26 1oqk h GLU 84 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1oqk h GLU 84 Cb 0.45 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.04 1oqk h GLU 84 CO 0.00 0.96 0.00 -2.13 -1.18 0.00 0.00 179.01 176.66 1oqk n ARG 85 N -4.51 0.00 0.00 1.92 0.63 -0.62 -4.93 116.66 109.15 1oqk n ARG 85 Ca -0.22 0.00 0.07 0.00 -0.92 0.00 0.00 57.85 56.78 1oqk n ARG 85 Cb 0.58 0.00 0.42 0.00 0.45 0.00 0.00 32.46 33.91 1oqk n ARG 85 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23