#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 -0.22 0.00 -1.55 1.44 -1.26 -5.04 115.22 108.59 1oqk n HIS 10 Ca 0.00 -1.41 0.00 0.00 -2.01 0.00 0.00 57.72 54.30 1oqk n HIS 10 Cb 0.00 -0.23 0.00 0.00 0.12 0.00 0.00 29.99 29.88 1oqk n HIS 10 CO 0.00 0.00 0.00 -0.85 -2.81 0.00 0.00 176.34 172.68 1oqk n GLU 11 N -1.02 0.00 0.00 -1.40 0.00 -1.26 -5.01 120.64 111.95 1oqk n GLU 11 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.10 1oqk n GLU 11 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.81 1oqk n GLU 11 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.13 177.02 1oqk n LEU 12 N -1.08 0.42 -4.73 -1.84 7.94 -1.26 -5.04 117.00 111.42 1oqk n LEU 12 Ca 0.00 0.00 -0.41 0.00 -1.11 0.00 0.00 56.01 54.49 1oqk n LEU 12 Cb 0.00 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 43.91 1oqk n LEU 12 CO 0.00 -0.12 0.81 -0.63 -1.11 0.00 0.00 177.39 176.33 1oqk s ILE 13 N -1.73 4.04 0.00 1.96 -1.09 -1.26 -3.57 121.20 119.55 1oqk s ILE 13 Ca 0.00 1.62 0.00 0.00 -2.23 0.00 0.00 60.65 60.04 1oqk s ILE 13 Cb 0.00 -4.04 0.00 0.00 -1.58 0.00 0.00 42.46 36.84 1oqk s ILE 13 CO 0.00 0.22 0.00 0.61 -1.23 0.00 0.00 174.94 174.54 1oqk n GLY 14 N 2.50 1.41 3.98 6.18 0.00 -1.26 -4.90 105.19 113.11 1oqk n GLY 14 Ca 0.05 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.87 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 3.81 0.29 0.99 0.05 -1.23 -4.91 118.68 117.68 1oqk s LEU 15 Ca 0.00 -0.10 0.01 0.00 0.05 0.00 0.00 54.13 54.08 1oqk s LEU 15 Cb 0.00 -2.84 -0.04 0.00 -2.05 0.00 0.00 46.19 41.27 1oqk s LEU 15 CO 0.00 -0.58 0.48 -0.55 -0.55 0.00 0.00 176.35 175.15 1oqk s SER 16 N -4.22 6.33 -0.03 1.48 0.15 -0.83 -3.57 113.70 113.01 1oqk s SER 16 Ca 0.48 0.39 0.02 0.00 0.70 0.00 0.00 55.95 57.53 1oqk s SER 16 Cb -0.10 -2.00 0.01 0.00 -1.71 0.00 0.00 66.02 62.22 1oqk s SER 16 CO 0.33 -0.19 -0.06 0.54 1.20 0.00 0.00 173.24 175.06 1oqk s VAL 17 N -2.14 0.61 -0.11 4.45 0.11 0.11 0.17 120.40 123.59 1oqk s VAL 17 Ca 0.39 -0.21 -0.00 0.00 -2.93 0.00 0.00 61.98 59.22 1oqk s VAL 17 Cb -0.10 -0.58 -0.02 0.00 -1.53 0.00 0.00 36.38 34.14 1oqk s VAL 17 CO 0.33 0.22 -0.10 -0.13 -3.33 0.00 0.00 175.10 172.09 1oqk s ARG 18 N 0.56 3.19 -0.14 1.54 0.52 0.46 -0.90 118.95 124.18 1oqk s ARG 18 Ca -0.08 -0.62 -0.17 0.00 -0.52 0.00 0.00 55.73 54.34 1oqk s ARG 18 Cb -0.11 -2.65 -0.04 0.00 0.52 0.00 0.00 34.95 32.66 1oqk s ARG 18 CO 0.00 0.37 0.43 0.42 0.02 0.00 0.00 175.30 176.55 1oqk s ILE 19 N -0.04 5.21 -0.16 1.52 -1.09 -1.08 -1.71 121.20 123.84 1oqk s ILE 19 Ca -0.01 0.85 0.11 0.00 -2.23 0.00 0.00 60.65 59.36 1oqk s ILE 19 Cb -0.14 -3.77 -0.17 0.00 -1.58 0.00 0.00 42.46 36.80 1oqk s ILE 19 CO 0.03 0.33 0.00 0.00 -1.23 0.00 0.00 174.94 174.07 1oqk n ALA 20 N 3.78 1.62 -3.61 9.38 0.00 -0.40 -3.34 120.51 127.93 1oqk n ALA 20 Ca -0.08 -0.96 -0.11 0.00 0.00 0.00 0.00 53.44 52.29 1oqk n ALA 20 Cb 0.52 -0.04 -0.08 0.00 0.00 0.00 0.00 19.45 19.85 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 -2.37 0.72 0.10 0.00 0.52 -1.15 -4.40 118.95 112.37 1oqk s ARG 21 Ca -0.12 1.05 -0.00 0.00 -0.52 0.00 0.00 55.73 56.14 1oqk s ARG 21 Cb 0.05 0.24 -0.04 0.00 0.52 0.00 0.00 34.95 35.72 1oqk s ARG 21 CO 0.58 -0.12 0.00 0.45 0.02 0.00 0.00 175.30 176.23 1oqk s SER 22 N 1.00 0.55 0.15 0.23 0.15 -1.26 -0.90 113.70 113.62 1oqk s SER 22 Ca -0.05 -1.10 -0.17 0.00 0.70 0.00 0.00 55.95 55.33 1oqk s SER 22 Cb -0.05 0.22 -0.00 0.00 -1.71 0.00 0.00 66.02 64.48 1oqk s SER 22 CO -0.09 -0.64 1.80 1.62 1.20 0.00 0.00 173.24 177.13 1oqk h VAL 23 N 2.97 1.10 -2.88 4.45 3.04 -1.66 -3.42 116.25 119.85 1oqk h VAL 23 Ca -0.35 -0.19 -0.64 0.00 -1.01 0.00 0.00 66.70 64.51 1oqk h VAL 23 Cb 1.17 0.56 -0.08 0.00 -2.01 0.00 0.00 31.29 30.94 1oqk h VAL 23 CO 0.63 0.10 -0.43 -1.00 -1.01 0.00 0.00 177.57 175.86 1oqk s HIS 24 N -6.14 3.57 -1.22 3.17 3.76 -1.26 -4.97 115.29 112.20 1oqk s HIS 24 Ca -0.13 0.56 0.20 0.00 -0.15 0.00 0.00 55.06 55.54 1oqk s HIS 24 Cb 0.10 -2.07 0.94 0.00 1.11 0.00 0.00 32.58 32.66 1oqk s HIS 24 CO 0.72 0.59 1.64 0.54 -0.85 0.00 0.00 174.74 177.38 1oqk n ARG 25 N 2.41 0.15 0.08 1.40 3.00 -1.26 -2.76 116.66 119.68 1oqk n ARG 25 Ca -0.18 0.13 0.12 0.00 -0.01 0.00 0.00 57.85 57.92 1oqk n ARG 25 Cb 0.54 -1.50 0.46 0.00 0.00 0.00 0.00 32.46 31.96 1oqk n ARG 25 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.63 177.23 1oqk n ASP 26 N -1.39 0.53 -0.04 0.55 5.75 -1.26 -3.58 116.55 117.11 1oqk n ASP 26 Ca 0.07 0.57 0.00 0.00 -0.01 0.00 0.00 54.79 55.43 1oqk n ASP 26 Cb 0.20 -0.71 0.00 0.00 -1.03 0.00 0.00 41.12 39.58 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 -2.03 0.26 -2.67 2.12 -0.00 -1.11 -5.03 119.36 110.90 1oqk n ILE 27 Ca 0.05 -0.27 -0.41 0.00 -0.00 0.00 0.00 62.75 62.12 1oqk n ILE 27 Cb 0.34 0.82 -0.05 0.00 -0.00 0.00 0.00 39.64 40.75 1oqk n ILE 27 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.55 174.97 1oqk s GLN 28 N -0.29 4.73 -0.90 6.28 -0.44 -1.11 -3.32 119.66 124.60 1oqk s GLN 28 Ca 0.01 1.54 0.00 0.00 -2.50 0.00 0.00 55.36 54.41 1oqk s GLN 28 Cb 0.01 -3.31 0.00 0.00 -1.64 0.00 0.00 33.01 28.07 1oqk s GLN 28 CO 0.00 0.28 0.00 0.41 0.50 0.00 0.00 175.29 176.48 1oqk n GLY 29 N 1.89 0.99 3.65 2.59 0.00 -1.21 -4.99 105.19 108.11 1oqk n GLY 29 Ca 0.01 -0.37 -0.37 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.17 5.32 0.33 -0.61 -1.09 -1.21 -4.82 121.20 116.94 1oqk s ILE 30 Ca 0.00 0.28 -0.02 0.00 -2.23 0.00 0.00 60.65 58.68 1oqk s ILE 30 Cb 0.00 -3.55 -0.04 0.00 -1.58 0.00 0.00 42.46 37.29 1oqk s ILE 30 CO 0.00 0.31 0.56 -0.55 -1.23 0.00 0.00 174.94 174.03 1oqk s SER 31 N 1.16 6.35 0.00 3.58 0.15 -1.26 -2.65 113.70 121.03 1oqk s SER 31 Ca 0.10 0.59 0.00 0.00 0.70 0.00 0.00 55.95 57.34 1oqk s SER 31 Cb -0.14 -2.09 0.00 0.00 -1.71 0.00 0.00 66.02 62.08 1oqk s SER 31 CO 0.06 -0.27 0.00 0.61 1.20 0.00 0.00 173.24 174.84 1oqk n GLY 32 N -1.45 -0.68 3.75 9.45 0.00 -0.08 -4.96 105.19 111.22 1oqk n GLY 32 Ca -0.03 -0.65 -0.26 0.00 0.00 0.00 0.00 46.02 45.08 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 -0.09 2.20 0.15 1.61 0.52 -1.26 0.05 118.95 122.13 1oqk s ARG 33 Ca 0.00 -1.94 0.03 0.00 -0.52 0.00 0.00 55.73 53.30 1oqk s ARG 33 Cb 0.00 -1.91 -0.04 0.00 0.52 0.00 0.00 34.95 33.52 1oqk s ARG 33 CO 0.00 -0.18 0.22 0.08 0.02 0.00 0.00 175.30 175.43 1oqk s VAL 34 N -2.66 4.98 0.00 3.52 1.01 0.13 -1.08 120.40 126.31 1oqk s VAL 34 Ca 0.36 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.51 1oqk s VAL 34 Cb 0.04 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 32.87 1oqk s VAL 34 CO 0.20 -0.09 0.00 0.55 0.00 0.00 0.00 175.10 175.76 1oqk n VAL 35 N -0.42 0.00 -3.50 2.92 3.14 -0.26 -1.97 118.33 118.24 1oqk n VAL 35 Ca -0.07 0.00 -0.11 0.00 -2.96 0.00 0.00 64.34 61.19 1oqk n VAL 35 Cb 0.54 -0.63 -0.02 0.00 -1.06 0.00 0.00 33.84 32.68 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 -4.97 -0.52 -0.10 6.55 2.15 -0.97 -4.94 116.67 113.87 1oqk s ASP 36 Ca 0.00 -0.11 0.04 0.00 0.43 0.00 0.00 52.55 52.91 1oqk s ASP 36 Cb 0.00 0.62 0.00 0.00 -0.30 0.00 0.00 42.92 43.24 1oqk s ASP 36 CO 0.00 -1.04 -0.24 -1.61 -0.17 0.00 0.00 175.17 172.12 1oqk s GLU 37 N -3.78 3.03 0.14 4.34 2.02 -1.26 -1.79 118.70 121.39 1oqk s GLU 37 Ca 0.03 -0.87 0.10 0.00 0.02 0.00 0.00 54.97 54.25 1oqk s GLU 37 Cb -0.02 -2.30 -0.04 0.00 0.10 0.00 0.00 34.13 31.87 1oqk s GLU 37 CO -0.10 0.15 -0.23 0.99 0.02 0.00 0.00 175.26 176.09 1oqk s THR 38 N 0.41 2.46 0.55 3.63 2.01 0.27 -5.01 115.64 119.97 1oqk s THR 38 Ca -0.17 -1.73 0.35 0.00 0.31 0.00 0.00 61.69 60.44 1oqk s THR 38 Cb -0.18 -2.12 0.51 0.00 0.01 0.00 0.00 72.50 70.72 1oqk s THR 38 CO 0.08 0.05 1.79 0.08 -0.69 0.00 0.00 174.62 175.93 1oqk h ARG 39 N 3.70 0.00 0.00 4.92 0.11 -2.00 -2.29 114.38 118.82 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 1.18 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.26 1oqk h ARG 39 CO 0.43 0.00 -0.03 0.27 0.10 0.00 0.00 179.97 180.74 1oqk n ASN 40 N -4.05 0.71 -3.48 0.08 2.04 -1.26 -3.76 115.26 105.54 1oqk n ASN 40 Ca 0.22 -1.44 -0.12 0.00 -0.44 0.00 0.00 54.58 52.80 1oqk n ASN 40 Cb 1.16 -0.03 -0.03 0.00 -2.53 0.00 0.00 39.78 38.35 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 -0.41 0.02 -0.15 5.53 -1.32 -0.86 -4.01 115.64 114.44 1oqk s THR 41 Ca 0.01 -0.16 -0.01 0.00 -1.21 0.00 0.00 61.69 60.32 1oqk s THR 41 Cb 0.01 -1.05 0.04 0.00 -1.51 0.00 0.00 72.50 69.99 1oqk s THR 41 CO 0.00 -0.09 -0.02 -0.22 -2.21 0.00 0.00 174.62 172.08 1oqk s LEU 42 N -2.77 1.25 -0.12 9.08 1.98 0.29 0.95 118.68 129.34 1oqk s LEU 42 Ca 0.02 -0.55 -0.16 0.00 -2.89 0.00 0.00 54.13 50.55 1oqk s LEU 42 Cb -0.00 -0.72 -0.04 0.00 0.66 0.00 0.00 46.19 46.08 1oqk s LEU 42 CO -0.13 -0.21 0.40 -0.60 -1.89 0.00 0.00 176.35 173.92 1oqk s ARG 43 N 1.77 4.27 -0.24 1.98 3.52 -0.74 0.11 118.95 129.61 1oqk s ARG 43 Ca 0.02 0.31 -0.11 0.00 -0.13 0.00 0.00 55.73 55.82 1oqk s ARG 43 Cb -0.15 -3.41 -0.05 0.00 -1.56 0.00 0.00 34.95 29.78 1oqk s ARG 43 CO -0.07 0.24 0.16 0.42 -0.81 0.00 0.00 175.30 175.24 1oqk s ILE 44 N 0.41 5.35 -0.03 4.11 1.01 0.23 -1.10 121.20 131.19 1oqk s ILE 44 Ca 0.22 0.19 0.04 0.00 0.00 0.00 0.00 60.65 61.09 1oqk s ILE 44 Cb -0.14 -3.50 -0.00 0.00 0.01 0.00 0.00 42.46 38.82 1oqk s ILE 44 CO 0.08 0.34 -0.13 -0.70 0.00 0.00 0.00 174.94 174.52 1oqk s GLU 45 N 1.10 1.28 -0.06 2.79 2.12 -0.24 0.90 118.70 126.59 1oqk s GLU 45 Ca 0.08 -0.47 0.05 0.00 0.36 0.00 0.00 54.97 54.99 1oqk s GLU 45 Cb -0.14 -1.18 -0.01 0.00 0.26 0.00 0.00 34.13 33.07 1oqk s GLU 45 CO 0.05 0.22 -0.23 0.00 -0.54 0.00 0.00 175.26 174.76 1oqk s MET 46 N -0.04 2.63 0.60 4.30 0.23 -0.38 0.21 119.30 126.84 1oqk s MET 46 Ca -0.00 -0.86 0.31 0.00 -1.03 0.00 0.00 55.69 54.11 1oqk s MET 46 Cb -0.08 -2.23 1.17 0.00 -1.53 0.00 0.00 34.83 32.15 1oqk s MET 46 CO 0.01 0.39 1.46 0.38 -2.03 0.00 0.00 175.02 175.23 1oqk h ASP 47 N 6.05 0.00 0.00 -1.18 3.04 -1.92 0.83 116.42 123.24 1oqk h ASP 47 Ca -0.33 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.46 1oqk h ASP 47 Cb 1.18 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.47 1oqk h ASP 47 CO 0.48 0.00 0.05 0.44 -2.04 0.00 0.00 179.24 178.17 1oqk h ASP 48 N 0.00 0.00 0.00 4.15 5.19 -2.03 -3.44 116.42 120.29 1oqk h ASP 48 Ca 0.52 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.93 1oqk h ASP 48 Cb 2.75 0.00 0.00 0.00 0.18 0.00 0.00 39.33 42.26 1oqk h ASP 48 CO -0.01 0.00 0.00 0.61 -3.12 0.00 0.00 179.24 176.72 1oqk n GLY 49 N -1.28 1.05 3.83 2.75 0.00 0.29 -5.10 105.19 106.72 1oqk n GLY 49 Ca -0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.27 2.97 -0.21 1.61 1.81 -0.97 -4.97 118.95 118.91 1oqk s ARG 50 Ca 0.00 -0.98 -0.06 0.00 -1.72 0.00 0.00 55.73 52.97 1oqk s ARG 50 Cb 0.00 -2.61 0.10 0.00 -0.45 0.00 0.00 34.95 31.99 1oqk s ARG 50 CO 0.00 0.43 0.42 -1.21 -0.68 0.00 0.00 175.30 174.25 1oqk s GLU 51 N -3.66 0.33 -0.04 3.54 2.02 -1.26 -1.25 118.70 118.38 1oqk s GLU 51 Ca 0.32 0.92 0.04 0.00 0.02 0.00 0.00 54.97 56.27 1oqk s GLU 51 Cb -0.09 0.16 0.00 0.00 0.10 0.00 0.00 34.13 34.30 1oqk s GLU 51 CO 0.25 -0.35 -0.15 -1.50 0.02 0.00 0.00 175.26 173.53 1oqk s ILE 52 N 2.61 1.26 0.41 -1.63 2.07 0.26 -4.95 121.20 121.22 1oqk s ILE 52 Ca 0.02 -0.61 -0.23 0.00 -1.41 0.00 0.00 60.65 58.42 1oqk s ILE 52 Cb -0.13 -1.10 -0.10 0.00 0.13 0.00 0.00 42.46 41.27 1oqk s ILE 52 CO -0.14 0.37 0.99 0.28 -1.91 0.00 0.00 174.94 174.53 1oqk s THR 53 N 0.16 4.07 -0.21 4.00 -1.32 -1.26 0.75 115.64 121.83 1oqk s THR 53 Ca -0.05 1.46 -0.06 0.00 -1.21 0.00 0.00 61.69 61.82 1oqk s THR 53 Cb -0.12 -3.69 0.10 0.00 -1.51 0.00 0.00 72.50 67.28 1oqk s THR 53 CO 0.02 -0.11 0.42 -0.69 -2.21 0.00 0.00 174.62 172.06 1oqk s VAL 54 N -1.87 -0.66 -0.08 5.08 1.01 0.30 -4.84 120.40 119.34 1oqk s VAL 54 Ca 0.59 0.13 -0.29 0.00 0.00 0.00 0.00 61.98 62.41 1oqk s VAL 54 Cb -0.16 -0.70 -0.06 0.00 0.00 0.00 0.00 36.38 35.46 1oqk s VAL 54 CO 0.21 0.04 1.83 -2.84 0.00 0.00 0.00 175.10 174.34 1oqk s PRO 55 N 2.62 3.95 0.00 2.72 0.02 -1.26 0.11 135.00 143.16 1oqk s PRO 55 Ca 0.00 2.21 0.22 0.00 0.02 0.00 0.00 61.00 63.46 1oqk s PRO 55 Cb -0.12 -4.11 0.09 0.00 0.02 0.00 0.00 34.50 30.38 1oqk s PRO 55 CO -0.13 -1.14 1.15 0.36 -0.33 0.00 0.00 177.00 176.90 1oqk n LYS 56 N 7.59 1.77 0.01 5.54 -0.00 -1.26 -4.46 118.16 127.36 1oqk n LYS 56 Ca 0.20 -1.46 0.22 0.00 -0.00 0.00 0.00 58.31 57.28 1oqk n LYS 56 Cb 0.43 -1.44 0.64 0.00 -0.00 0.00 0.00 35.03 34.66 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 4.58 0.00 -5.43 2.58 0.00 -1.73 -2.57 103.07 100.50 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 -3.50 -0.10 -3.60 2.60 -0.00 -0.67 -4.37 119.36 109.73 1oqk n ILE 58 Ca 0.12 -2.80 -0.24 0.00 -0.00 0.00 0.00 62.75 59.83 1oqk n ILE 58 Cb 0.90 0.65 -0.16 0.00 -0.00 0.00 0.00 39.64 41.03 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 -0.79 0.30 -0.07 -1.39 0.00 -0.97 -1.86 121.76 116.98 1oqk s ALA 59 Ca 0.30 -0.17 -0.29 0.00 0.00 0.00 0.00 51.96 51.80 1oqk s ALA 59 Cb 0.30 -1.04 -0.02 0.00 0.00 0.00 0.00 23.12 22.36 1oqk s ALA 59 CO -0.08 -1.12 0.97 0.54 0.00 0.00 0.00 175.76 176.07 1oqk s VAL 60 N 2.17 4.84 0.04 0.00 0.11 -0.08 -0.22 120.40 127.26 1oqk s VAL 60 Ca 0.03 1.98 -0.18 0.00 -2.93 0.00 0.00 61.98 60.88 1oqk s VAL 60 Cb -0.16 -4.29 0.04 0.00 -1.53 0.00 0.00 36.38 30.44 1oqk s VAL 60 CO -0.09 0.08 0.42 0.72 -3.33 0.00 0.00 175.10 172.89 1oqk s PHE 61 N 1.59 -0.27 0.01 1.54 -0.12 -0.20 -1.27 117.98 119.26 1oqk s PHE 61 Ca 0.48 0.25 0.09 0.00 -0.05 0.00 0.00 56.93 57.70 1oqk s PHE 61 Cb -0.19 0.22 -0.02 0.00 -0.63 0.00 0.00 43.02 42.40 1oqk s PHE 61 CO 0.21 -0.57 -0.26 -1.01 -0.05 0.00 0.00 175.22 173.54 1oqk s HIS 62 N -2.41 2.33 -0.07 3.49 3.76 -0.69 -0.42 115.29 121.27 1oqk s HIS 62 Ca -0.06 -0.42 -0.03 0.00 -0.15 0.00 0.00 55.06 54.40 1oqk s HIS 62 Cb -0.01 -1.45 -0.04 0.00 1.11 0.00 0.00 32.58 32.19 1oqk s HIS 62 CO -0.02 0.04 0.08 -0.06 -0.85 0.00 0.00 174.74 173.93 1oqk s PHE 63 N -0.70 3.37 -0.19 1.40 0.40 0.17 -0.40 117.98 122.02 1oqk s PHE 63 Ca 0.11 0.32 -0.04 0.00 -0.60 0.00 0.00 56.93 56.71 1oqk s PHE 63 Cb -0.10 -1.83 -0.02 0.00 0.51 0.00 0.00 43.02 41.58 1oqk s PHE 63 CO 0.00 0.59 -0.02 1.03 0.70 0.00 0.00 175.22 177.52 1oqk s ARG 64 N -1.24 3.57 -0.22 0.44 1.81 0.13 -0.13 118.95 123.30 1oqk s ARG 64 Ca 0.17 -0.55 -0.10 0.00 -1.72 0.00 0.00 55.73 53.54 1oqk s ARG 64 Cb -0.12 -3.00 -0.05 0.00 -0.45 0.00 0.00 34.95 31.33 1oqk s ARG 64 CO 0.07 0.04 0.13 0.99 -0.68 0.00 0.00 175.30 175.86 1oqk s THR 65 N 0.89 5.20 0.60 0.02 2.01 -0.56 -1.96 115.64 121.84 1oqk s THR 65 Ca 0.00 0.12 0.28 0.00 0.31 0.00 0.00 61.69 62.41 1oqk s THR 65 Cb -0.14 -3.40 0.36 0.00 0.01 0.00 0.00 72.50 69.32 1oqk s THR 65 CO 0.02 0.38 1.86 1.55 -0.69 0.00 0.00 174.62 177.74 1oqk h PRO 66 N 7.28 0.00 0.00 4.92 0.13 -1.91 0.39 132.00 142.82 1oqk h PRO 66 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1oqk h PRO 66 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1oqk h PRO 66 CO 0.68 0.00 0.00 0.94 -0.23 0.00 0.00 178.00 179.39 1oqk n GLN 67 N -3.53 0.14 0.00 0.86 7.27 -1.26 -4.83 117.38 116.04 1oqk n GLN 67 Ca 0.07 0.45 0.00 0.00 0.07 0.00 0.00 57.00 57.59 1oqk n GLN 67 Cb 0.66 -1.82 0.00 0.00 2.41 0.00 0.00 30.24 31.49 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 -0.39 0.93 3.32 1.69 0.00 0.13 -5.13 105.19 105.75 1oqk n GLY 68 Ca 0.01 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.83 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 0.14 1.25 -0.20 1.61 0.41 -0.97 -5.00 118.70 115.93 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 -1.23 0.05 0.00 -1.78 0.00 0.00 34.13 31.17 1oqk s GLU 69 CO 0.00 0.24 -0.08 -1.17 -0.49 0.00 0.00 175.26 173.76 1oqk s LEU 70 N -2.76 2.23 0.19 1.80 0.20 -1.26 -1.50 118.68 117.57 1oqk s LEU 70 Ca 0.16 -0.93 0.05 0.00 0.69 0.00 0.00 54.13 54.10 1oqk s LEU 70 Cb -0.05 -1.15 -0.04 0.00 -0.43 0.00 0.00 46.19 44.53 1oqk s LEU 70 CO 0.06 -0.18 0.22 -0.69 -0.29 0.00 0.00 176.35 175.47 1oqk s VAL 71 N 1.45 4.79 0.00 1.68 1.01 0.82 -4.96 120.40 125.18 1oqk s VAL 71 Ca -0.02 -1.04 0.02 0.00 0.00 0.00 0.00 61.98 60.93 1oqk s VAL 71 Cb -0.17 -3.50 -0.01 0.00 0.00 0.00 0.00 36.38 32.70 1oqk s VAL 71 CO -0.07 -0.19 -0.06 -1.83 0.00 0.00 0.00 175.10 172.95 1oqk s GLU 72 N -3.41 0.45 -0.10 2.72 -1.05 -1.26 -0.65 118.70 115.39 1oqk s GLU 72 Ca 0.33 -0.29 -0.04 0.00 -0.15 0.00 0.00 54.97 54.81 1oqk s GLU 72 Cb -0.10 -0.39 0.05 0.00 -0.44 0.00 0.00 34.13 33.25 1oqk s GLU 72 CO 0.26 0.10 0.21 0.42 0.95 0.00 0.00 175.26 177.20 1oqk s ILE 73 N -0.35 -0.18 -0.64 1.83 -1.09 0.44 -4.95 121.20 116.27 1oqk s ILE 73 Ca -0.00 0.22 -0.21 0.00 -2.23 0.00 0.00 60.65 58.44 1oqk s ILE 73 Cb -0.03 -0.35 0.09 0.00 -1.58 0.00 0.00 42.46 40.58 1oqk s ILE 73 CO -0.00 0.09 0.85 -1.81 -1.23 0.00 0.00 174.94 172.84 1oqk s ASP 74 N 1.72 6.19 0.16 3.58 1.01 -1.26 -1.03 116.67 127.04 1oqk s ASP 74 Ca -0.04 -1.24 0.17 0.00 0.71 0.00 0.00 52.55 52.14 1oqk s ASP 74 Cb -0.11 -2.36 0.76 0.00 1.01 0.00 0.00 42.92 42.22 1oqk s ASP 74 CO -0.08 -1.28 1.52 0.61 0.21 0.00 0.00 175.17 176.15 1oqk n GLY 75 N 5.30 -0.98 0.11 0.21 0.00 0.70 -0.26 105.19 110.28 1oqk n GLY 75 Ca -0.06 0.06 -0.14 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.93 0.67 0.00 1.61 0.63 -1.26 -1.66 116.66 114.72 1oqk n ARG 76 Ca 0.01 0.10 0.10 0.00 -0.92 0.00 0.00 57.85 57.14 1oqk n ARG 76 Cb 0.13 -1.56 -0.05 0.00 0.45 0.00 0.00 32.46 31.43 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 -2.95 3.97 -2.39 5.13 0.00 -1.09 -4.49 120.51 118.70 1oqk n ALA 77 Ca -0.37 -0.60 -0.19 0.00 0.00 0.00 0.00 53.44 52.29 1oqk n ALA 77 Cb 1.08 -0.73 0.02 0.00 0.00 0.00 0.00 19.45 19.81 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 -0.66 3.81 -4.65 0.00 7.99 0.65 -5.04 117.00 119.09 1oqk n LEU 78 Ca 0.07 -4.46 -0.42 0.00 -0.01 0.00 0.00 56.01 51.18 1oqk n LEU 78 Cb 0.38 -0.13 -0.03 0.00 -0.11 0.00 0.00 43.42 43.54 1oqk n LEU 78 CO 0.33 1.89 1.43 -0.69 -1.51 0.00 0.00 177.39 178.84 1oqk s VAL 79 N -4.55 3.51 -0.25 4.08 1.01 -1.26 -4.87 120.40 118.07 1oqk s VAL 79 Ca 0.43 0.60 -0.28 0.00 0.00 0.00 0.00 61.98 62.73 1oqk s VAL 79 Cb 0.40 -3.44 -0.04 0.00 0.00 0.00 0.00 36.38 33.30 1oqk s VAL 79 CO -0.04 -0.11 2.01 0.00 0.00 0.00 0.00 175.10 176.95 1oqk s ALA 80 N 4.69 2.84 0.20 5.51 0.00 -1.25 -4.97 121.76 128.79 1oqk s ALA 80 Ca 0.76 0.57 0.10 0.00 0.00 0.00 0.00 51.96 53.40 1oqk s ALA 80 Cb -0.32 -4.03 -0.04 0.00 0.00 0.00 0.00 23.12 18.73 1oqk s ALA 80 CO 0.31 -2.64 -0.16 1.03 0.00 0.00 0.00 175.76 174.30 1oqk s ARG 81 N 5.91 1.81 -0.00 0.00 0.52 -1.26 -4.50 118.95 121.42 1oqk s ARG 81 Ca 0.90 -1.44 0.01 0.00 -0.52 0.00 0.00 55.73 54.69 1oqk s ARG 81 Cb -0.29 -1.99 0.05 0.00 0.52 0.00 0.00 34.95 33.25 1oqk s ARG 81 CO 0.34 0.40 0.96 -0.35 0.02 0.00 0.00 175.30 176.68 1oqk n PRO 82 N -0.00 1.15 -0.20 3.54 -0.04 -1.26 -3.96 135.00 134.22 1oqk n PRO 82 Ca -0.11 -0.19 -0.05 0.00 -0.04 0.00 0.00 63.50 63.11 1oqk n PRO 82 Cb 0.56 -1.13 0.05 0.00 -0.04 0.00 0.00 33.50 32.95 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 0.30 0.70 0.00 0.54 4.39 -1.99 -3.36 114.58 115.17 1oqk h GLU 83 Ca 0.00 -0.04 -0.27 0.00 0.34 0.00 0.00 59.36 59.39 1oqk h GLU 83 Cb 0.16 -0.16 -0.04 0.00 -0.10 0.00 0.00 28.75 28.61 1oqk h GLU 83 CO 0.01 0.47 -1.88 0.39 -1.16 0.00 0.00 179.01 176.83 1oqk n GLU 84 N -4.73 0.36 0.00 2.33 1.02 -1.26 -5.10 120.64 113.26 1oqk n GLU 84 Ca 0.05 0.16 0.00 0.00 -0.02 0.00 0.00 57.16 57.35 1oqk n GLU 84 Cb 0.07 -1.10 0.00 0.00 -0.02 0.00 0.00 31.44 30.39 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 -3.78 0.00 0.00 3.49 0.63 -1.25 -5.19 116.66 110.55 1oqk n ARG 85 Ca -0.32 0.00 0.12 0.00 -0.92 0.00 0.00 57.85 56.73 1oqk n ARG 85 Cb 0.72 0.00 0.10 0.00 0.45 0.00 0.00 32.46 33.72 1oqk n ARG 85 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23