#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oqk s HIS 10 N 0.00 -0.06 0.11 -1.55 2.46 -1.26 -5.18 115.29 109.81 1oqk s HIS 10 Ca 0.00 0.13 0.06 0.00 0.47 0.00 0.00 55.06 55.72 1oqk s HIS 10 Cb 0.00 0.49 -0.04 0.00 -0.13 0.00 0.00 32.58 32.90 1oqk s HIS 10 CO 0.00 -0.03 -0.16 -1.21 -2.47 0.00 0.00 174.74 170.87 1oqk s GLU 11 N -0.28 1.01 -0.08 2.88 0.41 -1.26 -5.04 118.70 116.34 1oqk s GLU 11 Ca 0.08 -1.16 0.11 0.00 -0.41 0.00 0.00 54.97 53.58 1oqk s GLU 11 Cb -0.04 -1.01 0.17 0.00 -1.78 0.00 0.00 34.13 31.47 1oqk s GLU 11 CO -0.13 0.21 1.06 -0.11 -0.49 0.00 0.00 175.26 175.80 1oqk n LEU 12 N 0.81 1.69 -4.87 1.80 7.94 -1.26 -5.06 117.00 118.06 1oqk n LEU 12 Ca -0.18 -2.32 -0.33 0.00 -1.11 0.00 0.00 56.01 52.08 1oqk n LEU 12 Cb 0.56 -0.25 -0.05 0.00 0.53 0.00 0.00 43.42 44.20 1oqk n LEU 12 CO 0.25 0.54 0.21 -0.63 -1.11 0.00 0.00 177.39 176.65 1oqk s ILE 13 N -1.84 4.93 0.00 1.96 1.01 -1.26 -4.24 121.20 121.76 1oqk s ILE 13 Ca 0.19 0.52 0.00 0.00 0.00 0.00 0.00 60.65 61.35 1oqk s ILE 13 Cb 0.16 -3.64 0.00 0.00 0.01 0.00 0.00 42.46 39.00 1oqk s ILE 13 CO 0.02 0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.57 1oqk n GLY 14 N 0.07 0.85 3.77 6.18 0.00 -1.26 -5.08 105.19 109.73 1oqk n GLY 14 Ca -0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 3.34 0.22 0.99 1.43 -1.26 -4.88 118.68 118.52 1oqk s LEU 15 Ca 0.00 -0.73 0.05 0.00 -1.03 0.00 0.00 54.13 52.42 1oqk s LEU 15 Cb 0.00 -1.85 -0.03 0.00 0.03 0.00 0.00 46.19 44.34 1oqk s LEU 15 CO 0.00 -0.37 0.30 -0.55 0.23 0.00 0.00 176.35 175.96 1oqk s SER 16 N -3.91 6.11 0.03 2.29 0.15 -0.84 -2.25 113.70 115.28 1oqk s SER 16 Ca 0.40 0.01 0.02 0.00 0.70 0.00 0.00 55.95 57.07 1oqk s SER 16 Cb -0.03 -1.75 -0.02 0.00 -1.71 0.00 0.00 66.02 62.51 1oqk s SER 16 CO 0.24 -0.04 -0.06 -0.69 1.20 0.00 0.00 173.24 173.89 1oqk s VAL 17 N -1.96 0.40 -0.24 4.45 1.01 0.38 0.01 120.40 124.44 1oqk s VAL 17 Ca 0.34 -0.97 -0.01 0.00 0.00 0.00 0.00 61.98 61.34 1oqk s VAL 17 Cb -0.09 -0.49 0.07 0.00 0.00 0.00 0.00 36.38 35.87 1oqk s VAL 17 CO 0.28 -0.38 0.04 0.00 0.00 0.00 0.00 175.10 175.03 1oqk s ARG 18 N -1.44 0.89 0.11 2.72 1.70 -0.13 -0.05 118.95 122.74 1oqk s ARG 18 Ca -0.11 -0.76 -0.19 0.00 -0.47 0.00 0.00 55.73 54.20 1oqk s ARG 18 Cb -0.09 -2.19 -0.07 0.00 -0.57 0.00 0.00 34.95 32.03 1oqk s ARG 18 CO -0.00 -0.74 0.60 0.42 -1.08 0.00 0.00 175.30 174.49 1oqk s ILE 19 N 1.67 4.72 -0.01 4.99 1.09 -1.14 -2.16 121.20 130.36 1oqk s ILE 19 Ca 0.01 1.19 -0.02 0.00 -1.10 0.00 0.00 60.65 60.73 1oqk s ILE 19 Cb -0.18 -3.88 -0.01 0.00 -1.06 0.00 0.00 42.46 37.34 1oqk s ILE 19 CO -0.13 0.46 -0.04 0.00 -0.10 0.00 0.00 174.94 175.13 1oqk n ALA 20 N 1.44 1.69 -2.90 9.38 0.00 -0.92 -3.16 120.51 126.03 1oqk n ALA 20 Ca -0.08 -0.19 -0.33 0.00 0.00 0.00 0.00 53.44 52.83 1oqk n ALA 20 Cb 0.51 0.04 -0.13 0.00 0.00 0.00 0.00 19.45 19.87 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 -1.37 3.38 0.12 0.00 3.00 -1.24 -0.20 118.95 122.65 1oqk s ARG 21 Ca -0.04 -0.57 -0.01 0.00 0.00 0.00 0.00 55.73 55.12 1oqk s ARG 21 Cb 0.00 -2.76 -0.04 0.00 0.00 0.00 0.00 34.95 32.15 1oqk s ARG 21 CO 0.05 0.33 0.03 -1.12 0.00 0.00 0.00 175.30 174.59 1oqk s SER 22 N 0.09 0.50 0.16 0.23 0.01 -1.26 -0.59 113.70 112.84 1oqk s SER 22 Ca -0.02 -1.17 -0.16 0.00 1.31 0.00 0.00 55.95 55.91 1oqk s SER 22 Cb -0.14 0.25 0.06 0.00 0.21 0.00 0.00 66.02 66.40 1oqk s SER 22 CO 0.03 -0.68 1.78 1.62 0.41 0.00 0.00 173.24 176.41 1oqk h VAL 23 N 2.89 0.98 -3.38 3.43 3.04 -1.28 -3.41 116.25 118.53 1oqk h VAL 23 Ca -0.35 -0.14 -0.58 0.00 -1.01 0.00 0.00 66.70 64.62 1oqk h VAL 23 Cb 1.19 0.54 -0.08 0.00 -2.01 0.00 0.00 31.29 30.93 1oqk h VAL 23 CO 0.61 0.07 0.03 -2.28 -1.01 0.00 0.00 177.57 175.00 1oqk s HIS 24 N -6.15 3.48 -0.23 3.17 5.65 -1.26 -4.94 115.29 115.00 1oqk s HIS 24 Ca -0.13 1.01 0.22 0.00 0.25 0.00 0.00 55.06 56.41 1oqk s HIS 24 Cb 0.12 -2.73 1.16 0.00 -1.18 0.00 0.00 32.58 29.95 1oqk s HIS 24 CO 0.72 0.01 1.68 -2.13 -0.65 0.00 0.00 174.74 174.37 1oqk n ARG 25 N 4.26 0.15 0.03 2.88 3.00 -1.26 -1.60 116.66 124.12 1oqk n ARG 25 Ca -0.03 0.61 0.11 0.00 -0.00 0.00 0.00 57.85 58.54 1oqk n ARG 25 Cb 0.51 -1.96 0.01 0.00 0.00 0.00 0.00 32.46 31.03 1oqk n ARG 25 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1oqk n ASP 26 N -2.27 0.60 -0.03 6.15 9.92 -1.26 -4.30 116.55 125.36 1oqk n ASP 26 Ca -0.01 -0.18 0.03 0.00 -0.53 0.00 0.00 54.79 54.10 1oqk n ASP 26 Cb 0.07 0.82 -0.14 0.00 -0.64 0.00 0.00 41.12 41.23 1oqk n ASP 26 CO 0.00 0.00 0.00 2.30 0.13 0.00 0.00 177.20 179.63 1oqk n ILE 27 N -2.01 0.40 -1.82 0.53 -5.35 -0.63 -4.94 119.36 105.55 1oqk n ILE 27 Ca 0.02 -0.51 -0.36 0.00 -0.27 0.00 0.00 62.75 61.63 1oqk n ILE 27 Cb 0.45 -0.14 0.05 0.00 -1.74 0.00 0.00 39.64 38.26 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 -2.94 2.70 0.00 6.28 -2.07 -0.91 -2.69 119.66 120.03 1oqk s GLN 28 Ca -0.07 1.82 0.00 0.00 -1.82 0.00 0.00 55.36 55.29 1oqk s GLN 28 Cb 0.09 -1.90 0.00 0.00 -1.09 0.00 0.00 33.01 30.12 1oqk s GLN 28 CO 0.72 -1.41 0.00 0.41 -1.32 0.00 0.00 175.29 173.69 1oqk n GLY 29 N 0.48 0.55 3.61 2.60 0.00 0.72 -4.94 105.19 108.21 1oqk n GLY 29 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.52 4.68 0.29 -0.61 -1.09 -1.10 -4.89 121.20 115.96 1oqk s ILE 30 Ca 0.00 -0.07 -0.04 0.00 -2.23 0.00 0.00 60.65 58.30 1oqk s ILE 30 Cb 0.00 -3.10 -0.05 0.00 -1.58 0.00 0.00 42.46 37.73 1oqk s ILE 30 CO 0.00 0.46 0.55 -0.94 -1.23 0.00 0.00 174.94 173.78 1oqk s SER 31 N 0.40 6.43 0.27 3.58 1.04 -1.26 -2.88 113.70 121.27 1oqk s SER 31 Ca 0.02 0.68 -0.19 0.00 0.48 0.00 0.00 55.95 56.94 1oqk s SER 31 Cb -0.13 -2.13 0.07 0.00 0.10 0.00 0.00 66.02 63.93 1oqk s SER 31 CO 0.01 -0.20 0.93 -0.83 0.98 0.00 0.00 173.24 174.12 1oqk s GLY 32 N -3.24 0.21 0.50 7.32 0.00 0.93 -4.92 107.32 108.11 1oqk s GLY 32 Ca 0.43 -0.50 0.07 0.00 0.00 0.00 0.00 44.72 44.73 1oqk s GLY 32 CO 0.31 1.15 0.68 0.50 0.00 0.00 0.00 173.10 175.74 1oqk s ARG 33 N -2.30 2.58 0.14 2.90 3.00 -1.26 0.14 118.95 124.16 1oqk s ARG 33 Ca 0.19 -1.27 0.02 0.00 0.00 0.00 0.00 55.73 54.67 1oqk s ARG 33 Cb -0.04 -2.67 -0.04 0.00 0.00 0.00 0.00 34.95 32.21 1oqk s ARG 33 CO 0.08 -0.56 0.26 0.08 0.00 0.00 0.00 175.30 175.16 1oqk s VAL 34 N -2.54 5.27 0.02 3.52 1.01 0.12 -1.11 120.40 126.69 1oqk s VAL 34 Ca 0.58 -0.67 0.00 0.00 0.00 0.00 0.00 61.98 61.88 1oqk s VAL 34 Cb -0.09 -3.69 0.00 0.00 0.00 0.00 0.00 36.38 32.60 1oqk s VAL 34 CO 0.36 -0.06 0.00 0.52 0.00 0.00 0.00 175.10 175.92 1oqk n VAL 35 N -0.41 0.02 -3.74 2.92 0.31 0.17 -1.62 118.33 115.98 1oqk n VAL 35 Ca -0.07 0.01 -0.08 0.00 -0.01 0.00 0.00 64.34 64.18 1oqk n VAL 35 Cb 0.54 -0.70 -0.02 0.00 -0.91 0.00 0.00 33.84 32.74 1oqk n VAL 35 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1oqk s ASP 36 N -5.01 -0.35 -0.14 4.52 1.01 -0.99 -4.86 116.67 110.84 1oqk s ASP 36 Ca 0.00 -0.44 0.00 0.00 0.71 0.00 0.00 52.55 52.82 1oqk s ASP 36 Cb 0.00 0.69 0.02 0.00 1.01 0.00 0.00 42.92 44.64 1oqk s ASP 36 CO 0.00 -1.24 -0.14 -1.61 0.21 0.00 0.00 175.17 172.39 1oqk s GLU 37 N -3.87 2.25 0.20 8.23 8.01 -1.26 -1.70 118.70 130.55 1oqk s GLU 37 Ca 0.08 -0.54 0.11 0.00 0.01 0.00 0.00 54.97 54.63 1oqk s GLU 37 Cb -0.05 -2.06 -0.04 0.00 -4.31 0.00 0.00 34.13 27.67 1oqk s GLU 37 CO 0.01 -0.23 -0.19 0.99 0.01 0.00 0.00 175.26 175.85 1oqk s THR 38 N 1.48 2.61 0.31 3.63 2.01 0.14 -5.01 115.64 120.82 1oqk s THR 38 Ca 0.05 -1.99 0.04 0.00 0.31 0.00 0.00 61.69 60.09 1oqk s THR 38 Cb -0.13 -2.28 0.40 0.00 0.01 0.00 0.00 72.50 70.50 1oqk s THR 38 CO -0.10 -0.16 1.58 0.08 -0.69 0.00 0.00 174.62 175.32 1oqk h ARG 39 N 2.95 0.02 0.00 4.92 0.11 -1.99 -2.56 114.38 117.83 1oqk h ARG 39 Ca -0.45 -0.00 -0.13 0.00 0.10 0.00 0.00 59.98 59.49 1oqk h ARG 39 Cb 1.22 -0.00 -0.28 0.00 1.11 0.00 0.00 29.97 32.01 1oqk h ARG 39 CO 0.52 0.01 -0.88 0.27 0.10 0.00 0.00 179.97 179.99 1oqk n ASN 40 N -5.44 1.00 -3.72 0.08 2.04 -1.26 -3.74 115.26 104.22 1oqk n ASN 40 Ca 0.25 -2.28 -0.12 0.00 -0.44 0.00 0.00 54.58 51.99 1oqk n ASN 40 Cb 0.82 -0.32 -0.12 0.00 -2.53 0.00 0.00 39.78 37.63 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 -0.50 -0.03 -0.34 5.53 2.01 -0.97 -3.21 115.64 118.14 1oqk s THR 41 Ca 0.30 0.11 -0.03 0.00 0.31 0.00 0.00 61.69 62.38 1oqk s THR 41 Cb 0.34 -0.47 0.06 0.00 0.01 0.00 0.00 72.50 72.43 1oqk s THR 41 CO -0.13 0.04 0.08 -0.22 -0.69 0.00 0.00 174.62 173.70 1oqk s LEU 42 N 1.19 4.36 -0.21 4.42 1.98 0.24 0.27 118.68 130.92 1oqk s LEU 42 Ca -0.08 -1.43 -0.26 0.00 -2.89 0.00 0.00 54.13 49.47 1oqk s LEU 42 Cb -0.09 -1.79 -0.00 0.00 0.66 0.00 0.00 46.19 44.97 1oqk s LEU 42 CO -0.09 -0.35 0.90 -0.60 -1.89 0.00 0.00 176.35 174.31 1oqk s ARG 43 N 1.27 4.25 -0.34 1.98 3.52 -0.69 0.20 118.95 129.15 1oqk s ARG 43 Ca -0.01 1.10 -0.10 0.00 -0.13 0.00 0.00 55.73 56.59 1oqk s ARG 43 Cb -0.20 -3.62 0.01 0.00 -1.56 0.00 0.00 34.95 29.58 1oqk s ARG 43 CO -0.01 -0.48 0.18 0.42 -0.81 0.00 0.00 175.30 174.61 1oqk s ILE 44 N 2.67 4.61 -0.04 4.11 1.01 0.25 0.43 121.20 134.24 1oqk s ILE 44 Ca 0.39 -0.61 0.04 0.00 0.00 0.00 0.00 60.65 60.48 1oqk s ILE 44 Cb -0.16 -3.45 -0.00 0.00 0.01 0.00 0.00 42.46 38.86 1oqk s ILE 44 CO 0.09 -0.07 -0.17 -0.70 0.00 0.00 0.00 174.94 174.09 1oqk s GLU 45 N 1.59 1.80 -0.18 2.79 2.12 -0.26 0.73 118.70 127.29 1oqk s GLU 45 Ca 0.04 -0.61 -0.08 0.00 0.36 0.00 0.00 54.97 54.67 1oqk s GLU 45 Cb -0.18 -1.56 -0.04 0.00 0.26 0.00 0.00 34.13 32.60 1oqk s GLU 45 CO 0.07 0.24 0.10 -1.64 -0.54 0.00 0.00 175.26 173.49 1oqk s MET 46 N 0.04 4.00 0.57 4.30 -1.94 0.14 0.14 119.30 126.55 1oqk s MET 46 Ca -0.04 -0.27 0.38 0.00 -1.71 0.00 0.00 55.69 54.06 1oqk s MET 46 Cb -0.12 -3.30 1.46 0.00 2.01 0.00 0.00 34.83 34.89 1oqk s MET 46 CO 0.02 0.35 1.62 -0.44 -0.01 0.00 0.00 175.02 176.56 1oqk h ASP 47 N 6.47 0.00 0.18 3.03 3.32 -1.90 1.09 116.42 128.61 1oqk h ASP 47 Ca -0.41 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.64 1oqk h ASP 47 Cb 1.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.72 1oqk h ASP 47 CO 0.71 0.00 0.00 0.47 -1.72 0.00 0.00 179.24 178.70 1oqk n ASP 48 N -3.81 0.31 0.00 6.45 8.00 -1.26 -4.78 116.55 121.45 1oqk n ASP 48 Ca 0.30 0.62 0.00 0.00 0.71 0.00 0.00 54.79 56.42 1oqk n ASP 48 Cb 1.52 -0.67 0.00 0.00 -0.02 0.00 0.00 41.12 41.95 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 -1.00 1.22 3.56 0.44 0.00 0.37 -5.09 105.19 104.70 1oqk n GLY 49 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.16 3.84 0.00 1.61 3.00 -0.92 -4.95 118.95 121.37 1oqk s ARG 50 Ca 0.00 -0.40 0.07 0.00 0.00 0.00 0.00 55.73 55.40 1oqk s ARG 50 Cb 0.00 -3.24 -0.03 0.00 0.00 0.00 0.00 34.95 31.68 1oqk s ARG 50 CO 0.00 0.10 -0.21 -1.83 0.00 0.00 0.00 175.30 173.36 1oqk s GLU 51 N 0.84 2.12 -0.27 3.54 -1.05 -1.26 0.24 118.70 122.87 1oqk s GLU 51 Ca 0.03 -0.93 -0.16 0.00 -0.15 0.00 0.00 54.97 53.76 1oqk s GLU 51 Cb -0.14 -2.14 0.08 0.00 -0.44 0.00 0.00 34.13 31.49 1oqk s GLU 51 CO 0.02 0.56 0.66 -1.50 0.95 0.00 0.00 175.26 175.96 1oqk s ILE 52 N -0.76 -0.00 0.39 1.83 1.10 0.22 -4.98 121.20 119.00 1oqk s ILE 52 Ca 0.12 0.01 -0.14 0.00 -0.51 0.00 0.00 60.65 60.13 1oqk s ILE 52 Cb -0.10 -0.96 -0.08 0.00 0.15 0.00 0.00 42.46 41.47 1oqk s ILE 52 CO 0.02 0.00 0.80 0.28 -2.11 0.00 0.00 174.94 173.93 1oqk s THR 53 N 1.48 4.68 -0.21 4.00 -1.32 -1.26 0.86 115.64 123.86 1oqk s THR 53 Ca -0.09 0.89 -0.06 0.00 -1.21 0.00 0.00 61.69 61.22 1oqk s THR 53 Cb -0.05 -3.67 0.10 0.00 -1.51 0.00 0.00 72.50 67.37 1oqk s THR 53 CO -0.17 -0.40 0.41 -0.69 -2.21 0.00 0.00 174.62 171.57 1oqk s VAL 54 N -2.24 -0.65 -0.04 5.08 1.01 0.13 -4.84 120.40 118.85 1oqk s VAL 54 Ca 0.54 0.12 -0.34 0.00 0.00 0.00 0.00 61.98 62.30 1oqk s VAL 54 Cb -0.10 -0.70 -0.12 0.00 0.00 0.00 0.00 36.38 35.46 1oqk s VAL 54 CO 0.25 0.03 1.83 -2.65 0.00 0.00 0.00 175.10 174.56 1oqk n PRO 55 N 5.39 2.19 0.00 2.72 -0.02 -1.26 0.80 135.00 144.82 1oqk n PRO 55 Ca -0.07 0.80 0.10 0.00 -2.02 0.00 0.00 63.50 62.31 1oqk n PRO 55 Cb 0.50 -2.63 -0.10 0.00 -0.02 0.00 0.00 33.50 31.24 1oqk n PRO 55 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1oqk n LYS 56 N 6.07 0.34 -0.08 -0.52 4.81 -1.20 -4.45 118.16 123.13 1oqk n LYS 56 Ca 0.22 -0.15 0.26 0.00 -0.87 0.00 0.00 58.31 57.77 1oqk n LYS 56 Cb 0.30 -1.47 0.70 0.00 0.02 0.00 0.00 35.03 34.57 1oqk n LYS 56 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 1oqk h GLY 57 N 4.85 0.00 -5.48 3.14 0.00 -1.69 -2.95 103.07 100.94 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 -0.83 1.39 0.00 0.00 0.00 176.54 177.10 1oqk n ILE 58 N -3.82 -0.05 -3.62 2.60 -0.00 -0.67 -4.41 119.36 109.40 1oqk n ILE 58 Ca 0.15 -3.04 -0.12 0.00 -0.00 0.00 0.00 62.75 59.74 1oqk n ILE 58 Cb 0.94 0.61 -0.12 0.00 -0.00 0.00 0.00 39.64 41.07 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 -1.15 -0.70 -0.01 -1.39 0.00 -0.97 -0.87 121.76 116.66 1oqk s ALA 59 Ca 0.31 0.99 -0.24 0.00 0.00 0.00 0.00 51.96 53.02 1oqk s ALA 59 Cb 0.33 -1.17 -0.05 0.00 0.00 0.00 0.00 23.12 22.23 1oqk s ALA 59 CO -0.06 -0.77 0.72 0.54 0.00 0.00 0.00 175.76 176.18 1oqk s VAL 60 N 2.46 4.91 0.08 0.00 0.11 0.25 -0.26 120.40 127.96 1oqk s VAL 60 Ca 0.02 1.50 -0.21 0.00 -2.93 0.00 0.00 61.98 60.37 1oqk s VAL 60 Cb -0.13 -4.06 0.05 0.00 -1.53 0.00 0.00 36.38 30.71 1oqk s VAL 60 CO -0.10 0.31 0.50 0.72 -3.33 0.00 0.00 175.10 173.20 1oqk s PHE 61 N 0.35 -0.39 -0.04 1.54 -0.12 -0.52 -2.18 117.98 116.63 1oqk s PHE 61 Ca 0.37 0.31 0.05 0.00 -0.05 0.00 0.00 56.93 57.61 1oqk s PHE 61 Cb -0.19 0.36 -0.01 0.00 -0.63 0.00 0.00 43.02 42.55 1oqk s PHE 61 CO 0.20 -0.69 -0.20 -1.01 -0.05 0.00 0.00 175.22 173.47 1oqk s HIS 62 N -2.99 1.89 0.16 3.49 3.76 -0.92 -0.47 115.29 120.22 1oqk s HIS 62 Ca -0.02 -0.49 -0.09 0.00 -0.15 0.00 0.00 55.06 54.31 1oqk s HIS 62 Cb -0.00 -1.25 -0.06 0.00 1.11 0.00 0.00 32.58 32.37 1oqk s HIS 62 CO -0.06 -0.13 0.47 -0.06 -0.85 0.00 0.00 174.74 174.11 1oqk s PHE 63 N -0.17 3.49 -0.11 1.40 0.40 0.28 -0.96 117.98 122.32 1oqk s PHE 63 Ca -0.00 0.80 -0.01 0.00 -0.60 0.00 0.00 56.93 57.11 1oqk s PHE 63 Cb -0.11 -2.19 0.03 0.00 0.51 0.00 0.00 43.02 41.27 1oqk s PHE 63 CO 0.02 0.39 -0.03 0.50 0.70 0.00 0.00 175.22 176.79 1oqk s ARG 64 N -2.47 1.03 -0.13 0.44 3.00 0.10 -0.10 118.95 120.82 1oqk s ARG 64 Ca 0.41 -0.16 -0.18 0.00 -1.00 0.00 0.00 55.73 54.81 1oqk s ARG 64 Cb -0.12 -1.46 -0.04 0.00 0.00 0.00 0.00 34.95 33.33 1oqk s ARG 64 CO 0.21 -0.35 0.46 0.99 0.00 0.00 0.00 175.30 176.61 1oqk s THR 65 N 1.83 5.19 0.57 4.11 2.01 -0.26 -1.98 115.64 127.10 1oqk s THR 65 Ca 0.04 0.91 0.34 0.00 0.31 0.00 0.00 61.69 63.29 1oqk s THR 65 Cb -0.13 -3.80 0.49 0.00 0.01 0.00 0.00 72.50 69.07 1oqk s THR 65 CO -0.07 0.32 1.70 -0.65 -0.69 0.00 0.00 174.62 175.23 1oqk h PRO 66 N 6.79 0.00 0.00 4.92 0.11 -1.89 0.87 132.00 142.79 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 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1oqk h PRO 66 CO 0.75 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.58 1oqk n GLN 67 N -3.83 0.07 0.00 1.05 3.00 -1.26 -4.84 117.38 111.57 1oqk n GLN 67 Ca 0.22 0.37 0.00 0.00 -0.01 0.00 0.00 57.00 57.58 1oqk n GLN 67 Cb 1.23 -1.65 0.00 0.00 0.00 0.00 0.00 30.24 29.82 1oqk n GLN 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1oqk n GLY 68 N -0.29 0.64 3.23 1.08 0.00 0.30 -5.13 105.19 105.01 1oqk n GLY 68 Ca 0.02 0.00 -0.24 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 0.71 1.24 -0.22 1.61 2.02 -0.92 -4.96 118.70 118.18 1oqk s GLU 69 Ca 0.00 -0.91 0.00 0.00 0.02 0.00 0.00 54.97 54.08 1oqk s GLU 69 Cb 0.00 -1.34 0.06 0.00 0.10 0.00 0.00 34.13 32.95 1oqk s GLU 69 CO 0.00 0.34 -0.05 -1.17 0.02 0.00 0.00 175.26 174.40 1oqk s LEU 70 N -1.24 2.28 -0.04 1.80 1.98 -1.26 -1.11 118.68 121.09 1oqk s LEU 70 Ca 0.06 -1.06 0.01 0.00 -2.89 0.00 0.00 54.13 50.25 1oqk s LEU 70 Cb -0.09 -1.08 -0.03 0.00 0.66 0.00 0.00 46.19 45.65 1oqk s LEU 70 CO 0.02 -0.23 -0.05 -0.69 -1.89 0.00 0.00 176.35 173.51 1oqk s VAL 71 N 1.48 3.82 -0.13 1.68 1.01 0.86 -4.95 120.40 124.16 1oqk s VAL 71 Ca -0.04 -0.57 -0.01 0.00 0.00 0.00 0.00 61.98 61.36 1oqk s VAL 71 Cb -0.18 -2.62 -0.02 0.00 0.00 0.00 0.00 36.38 33.56 1oqk s VAL 71 CO -0.07 0.50 -0.09 -0.70 0.00 0.00 0.00 175.10 174.74 1oqk s GLU 72 N -1.12 3.42 -0.19 2.72 2.12 -1.26 0.10 118.70 124.49 1oqk s GLU 72 Ca 0.15 -0.62 -0.03 0.00 0.36 0.00 0.00 54.97 54.83 1oqk s GLU 72 Cb -0.11 -2.72 0.06 0.00 0.26 0.00 0.00 34.13 31.62 1oqk s GLU 72 CO 0.05 0.27 0.05 0.42 -0.54 0.00 0.00 175.26 175.50 1oqk s ILE 73 N 0.24 0.40 -0.72 -3.70 1.09 0.38 -4.97 121.20 113.93 1oqk s ILE 73 Ca -0.06 -0.49 -0.25 0.00 -1.10 0.00 0.00 60.65 58.75 1oqk s ILE 73 Cb -0.15 -0.95 0.05 0.00 -1.06 0.00 0.00 42.46 40.36 1oqk s ILE 73 CO 0.04 -0.23 1.15 -1.81 -0.10 0.00 0.00 174.94 174.00 1oqk s ASP 74 N 1.91 6.18 0.12 3.58 1.01 -1.26 -1.43 116.67 126.78 1oqk s ASP 74 Ca -0.00 -0.72 0.25 0.00 0.71 0.00 0.00 52.55 52.79 1oqk s ASP 74 Cb -0.17 -2.50 0.96 0.00 1.01 0.00 0.00 42.92 42.22 1oqk s ASP 74 CO -0.08 -1.66 1.78 0.61 0.21 0.00 0.00 175.17 176.03 1oqk n GLY 75 N 5.40 -1.50 0.02 0.21 0.00 0.65 -1.74 105.19 108.23 1oqk n GLY 75 Ca 0.01 -0.04 -0.02 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.92 0.15 0.03 1.61 0.63 -1.24 -1.66 116.66 114.25 1oqk n ARG 76 Ca 0.05 0.23 0.14 0.00 -0.92 0.00 0.00 57.85 57.35 1oqk n ARG 76 Cb 0.34 -0.94 0.56 0.00 0.45 0.00 0.00 32.46 32.87 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 -2.84 2.30 -2.53 5.13 0.00 -1.26 -3.90 120.51 117.41 1oqk n ALA 77 Ca -0.03 -0.08 -0.15 0.00 0.00 0.00 0.00 53.44 53.18 1oqk n ALA 77 Cb 0.11 -1.47 0.02 0.00 0.00 0.00 0.00 19.45 18.12 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 -1.70 3.01 -4.56 0.00 7.99 -0.71 -5.05 117.00 115.99 1oqk n LEU 78 Ca 0.07 -4.17 -0.38 0.00 -0.01 0.00 0.00 56.01 51.52 1oqk n LEU 78 Cb 0.36 0.05 -0.03 0.00 -0.11 0.00 0.00 43.42 43.69 1oqk n LEU 78 CO 0.28 1.73 1.83 0.54 -1.51 0.00 0.00 177.39 180.26 1oqk s VAL 79 N -4.21 3.16 0.14 4.08 0.11 -1.23 -4.65 120.40 117.80 1oqk s VAL 79 Ca 0.37 0.10 -0.35 0.00 -2.93 0.00 0.00 61.98 59.18 1oqk s VAL 79 Cb 0.40 -3.39 -0.15 0.00 -1.53 0.00 0.00 36.38 31.71 1oqk s VAL 79 CO -0.04 -0.37 1.41 0.00 -3.33 0.00 0.00 175.10 172.77 1oqk n ALA 80 N 14.25 0.11 -2.59 1.54 0.00 -1.25 -4.99 120.51 127.59 1oqk n ALA 80 Ca 0.30 0.47 -0.32 0.00 0.00 0.00 0.00 53.44 53.89 1oqk n ALA 80 Cb 0.53 -2.19 -0.15 0.00 0.00 0.00 0.00 19.45 17.64 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 0.45 2.52 0.97 0.00 3.03 -1.26 -4.37 118.95 120.29 1oqk s ARG 81 Ca 0.79 -0.82 -0.14 0.00 2.03 0.00 0.00 55.73 57.60 1oqk s ARG 81 Cb -0.81 -2.25 0.17 0.00 -1.03 0.00 0.00 34.95 31.03 1oqk s ARG 81 CO 0.44 0.48 1.14 -1.25 -1.13 0.00 0.00 175.30 174.99 1oqk s PRO 82 N -0.39 0.65 0.53 3.89 0.04 -1.18 -4.84 135.00 133.71 1oqk s PRO 82 Ca 0.04 0.21 0.32 0.00 0.04 0.00 0.00 61.00 61.60 1oqk s PRO 82 Cb -0.12 -1.79 1.26 0.00 0.04 0.00 0.00 34.50 33.89 1oqk s PRO 82 CO 0.02 -2.51 1.95 0.93 0.04 0.00 0.00 177.00 177.42 1oqk h GLU 83 N -1.72 0.00 0.01 4.56 5.08 -2.02 -2.84 114.58 117.65 1oqk h GLU 83 Ca -0.50 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 57.64 1oqk h GLU 83 Cb 1.32 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.54 1oqk h GLU 83 CO 0.56 0.03 -1.09 0.93 -1.00 0.00 0.00 179.01 178.44 1oqk h GLU 84 N 0.00 0.02 -2.41 2.33 4.39 -2.06 -3.42 114.58 113.44 1oqk h GLU 84 Ca -0.00 -0.03 -0.42 0.00 0.34 0.00 0.00 59.36 59.24 1oqk h GLU 84 Cb 0.57 0.01 -0.36 0.00 -0.10 0.00 0.00 28.75 28.87 1oqk h GLU 84 CO 0.00 0.97 -0.71 0.50 -1.16 0.00 0.00 179.01 178.62 1oqk s ARG 85 N -2.70 0.30 0.00 2.33 3.00 -1.08 -5.27 118.95 115.54 1oqk s ARG 85 Ca 0.00 -0.40 0.25 0.00 -1.00 0.00 0.00 55.73 54.58 1oqk s ARG 85 Cb 0.10 -0.89 0.34 0.00 0.00 0.00 0.00 34.95 34.50 1oqk s ARG 85 CO 0.82 -1.05 1.35 -0.89 0.00 0.00 0.00 175.30 175.54