#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 0.65 -0.00 -1.55 2.46 -1.26 -5.17 115.29 110.42 1oqk s HIS 10 Ca 0.00 -1.01 0.02 0.00 0.47 0.00 0.00 55.06 54.54 1oqk s HIS 10 Cb 0.00 -0.43 -0.00 0.00 -0.13 0.00 0.00 32.58 32.01 1oqk s HIS 10 CO 0.00 -0.29 -0.05 -1.83 -2.47 0.00 0.00 174.74 170.09 1oqk s GLU 11 N -3.85 0.44 -0.42 2.88 -1.05 -1.26 -5.03 118.70 110.40 1oqk s GLU 11 Ca 0.08 -0.21 0.03 0.00 -0.15 0.00 0.00 54.97 54.73 1oqk s GLU 11 Cb 0.07 -0.42 0.61 0.00 -0.44 0.00 0.00 34.13 33.95 1oqk s GLU 11 CO -0.08 0.11 1.86 1.28 0.95 0.00 0.00 175.26 179.38 1oqk n LEU 12 N 2.91 6.50 -4.81 1.83 4.32 -1.26 -4.97 117.00 121.53 1oqk n LEU 12 Ca -0.13 -3.47 -0.36 0.00 -0.02 0.00 0.00 56.01 52.03 1oqk n LEU 12 Cb 0.58 -0.82 -0.06 0.00 -1.62 0.00 0.00 43.42 41.50 1oqk n LEU 12 CO 0.25 1.02 0.51 -0.63 -1.22 0.00 0.00 177.39 177.33 1oqk s ILE 13 N -3.10 4.46 -0.43 -0.08 -1.09 -1.26 -3.70 121.20 116.00 1oqk s ILE 13 Ca 0.53 1.42 0.00 0.00 -2.23 0.00 0.00 60.65 60.37 1oqk s ILE 13 Cb 0.44 -3.84 0.00 0.00 -1.58 0.00 0.00 42.46 37.48 1oqk s ILE 13 CO 0.10 0.08 0.00 0.61 -1.23 0.00 0.00 174.94 174.49 1oqk n GLY 14 N 0.38 0.67 3.91 6.18 0.00 -1.26 -5.02 105.19 110.05 1oqk n GLY 14 Ca 0.01 -0.43 -0.20 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.92 3.69 0.03 0.99 1.43 -1.24 -4.88 118.68 117.76 1oqk s LEU 15 Ca 0.00 -0.43 0.01 0.00 -1.03 0.00 0.00 54.13 52.67 1oqk s LEU 15 Cb 0.00 -2.38 -0.04 0.00 0.03 0.00 0.00 46.19 43.80 1oqk s LEU 15 CO 0.00 -0.44 0.10 -0.94 0.23 0.00 0.00 176.35 175.29 1oqk s SER 16 N -4.09 5.73 -0.11 2.29 1.04 -0.97 -1.40 113.70 116.19 1oqk s SER 16 Ca 0.44 0.12 -0.06 0.00 0.48 0.00 0.00 55.95 56.93 1oqk s SER 16 Cb -0.07 -1.64 0.04 0.00 0.10 0.00 0.00 66.02 64.46 1oqk s SER 16 CO 0.29 0.23 0.26 0.54 0.98 0.00 0.00 173.24 175.54 1oqk s VAL 17 N -1.28 -0.03 -0.18 5.02 0.11 0.11 -0.37 120.40 123.77 1oqk s VAL 17 Ca 0.26 0.12 -0.00 0.00 -2.93 0.00 0.00 61.98 59.43 1oqk s VAL 17 Cb -0.12 -0.40 0.00 0.00 -1.53 0.00 0.00 36.38 34.34 1oqk s VAL 17 CO 0.18 0.05 -0.14 0.00 -3.33 0.00 0.00 175.10 171.86 1oqk s ARG 18 N 1.11 3.18 -0.25 1.54 1.70 0.05 -0.26 118.95 126.03 1oqk s ARG 18 Ca -0.08 -0.75 -0.28 0.00 -0.47 0.00 0.00 55.73 54.16 1oqk s ARG 18 Cb -0.09 -2.70 0.01 0.00 -0.57 0.00 0.00 34.95 31.60 1oqk s ARG 18 CO -0.08 -0.11 0.99 0.42 -1.08 0.00 0.00 175.30 175.45 1oqk s ILE 19 N 1.12 4.69 0.02 4.99 -1.09 -1.03 -1.46 121.20 128.45 1oqk s ILE 19 Ca 0.01 1.87 -0.00 0.00 -2.23 0.00 0.00 60.65 60.29 1oqk s ILE 19 Cb -0.14 -4.28 -0.26 0.00 -1.58 0.00 0.00 42.46 36.19 1oqk s ILE 19 CO -0.05 -0.20 0.92 0.00 -1.23 0.00 0.00 174.94 174.38 1oqk h ALA 20 N 7.61 0.32 -2.14 9.38 0.00 -0.76 -3.00 119.26 130.67 1oqk h ALA 20 Ca -0.20 -1.10 -0.07 0.00 0.00 0.00 0.00 54.91 53.54 1oqk h ALA 20 Cb 1.07 0.21 -0.20 0.00 0.00 0.00 0.00 17.79 18.88 1oqk h ALA 20 CO 0.96 1.19 0.07 0.50 0.00 0.00 0.00 179.25 181.97 1oqk s ARG 21 N -2.63 0.94 0.11 0.00 3.52 -0.92 -4.19 118.95 115.78 1oqk s ARG 21 Ca -0.07 0.21 -0.01 0.00 -0.13 0.00 0.00 55.73 55.74 1oqk s ARG 21 Cb 0.07 0.44 -0.04 0.00 -1.56 0.00 0.00 34.95 33.86 1oqk s ARG 21 CO 0.85 -0.27 0.04 -1.12 -0.81 0.00 0.00 175.30 173.98 1oqk s SER 22 N -1.08 0.36 0.29 -2.12 0.01 -1.26 -0.76 113.70 109.15 1oqk s SER 22 Ca -0.11 -1.17 -0.00 0.00 1.31 0.00 0.00 55.95 55.98 1oqk s SER 22 Cb -0.02 0.27 0.44 0.00 0.21 0.00 0.00 66.02 66.93 1oqk s SER 22 CO 0.08 -0.70 1.85 1.62 0.41 0.00 0.00 173.24 176.50 1oqk h VAL 23 N 2.92 1.22 -3.13 3.43 3.04 -1.48 -3.42 116.25 118.83 1oqk h VAL 23 Ca -0.35 -0.76 -0.60 0.00 -1.01 0.00 0.00 66.70 63.99 1oqk h VAL 23 Cb 1.19 0.64 -0.06 0.00 -2.01 0.00 0.00 31.29 31.05 1oqk h VAL 23 CO 0.61 0.29 -0.17 -1.00 -1.01 0.00 0.00 177.57 176.28 1oqk s HIS 24 N -5.25 3.68 -1.69 3.17 3.76 -1.26 -4.96 115.29 112.73 1oqk s HIS 24 Ca -0.10 0.99 0.24 0.00 -0.15 0.00 0.00 55.06 56.04 1oqk s HIS 24 Cb 0.16 -2.38 1.31 0.00 1.11 0.00 0.00 32.58 32.78 1oqk s HIS 24 CO 0.79 0.51 1.79 0.54 -0.85 0.00 0.00 174.74 177.53 1oqk n ARG 25 N 2.31 0.53 -0.01 1.40 5.12 -1.26 -2.47 116.66 122.28 1oqk n ARG 25 Ca -0.12 0.04 0.09 0.00 -1.93 0.00 0.00 57.85 55.93 1oqk n ARG 25 Cb 0.52 -1.50 -0.16 0.00 -1.16 0.00 0.00 32.46 30.15 1oqk n ARG 25 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 1oqk n ASP 26 N -1.15 0.02 -0.03 0.55 5.75 -1.26 -4.44 116.55 115.99 1oqk n ASP 26 Ca 0.14 0.01 0.05 0.00 -0.01 0.00 0.00 54.79 54.98 1oqk n ASP 26 Cb 0.14 1.88 -0.15 0.00 -1.03 0.00 0.00 41.12 41.96 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 -2.31 0.30 -1.48 2.12 -5.35 -1.16 -5.00 119.36 106.48 1oqk n ILE 27 Ca -0.06 -0.52 -0.42 0.00 -0.27 0.00 0.00 62.75 61.48 1oqk n ILE 27 Cb 0.62 -0.08 0.01 0.00 -1.74 0.00 0.00 39.64 38.44 1oqk n ILE 27 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1oqk n GLN 28 N -2.29 0.70 -1.23 6.28 10.64 -1.03 -1.67 117.38 128.78 1oqk n GLN 28 Ca -0.10 0.25 -0.08 0.00 -1.83 0.00 0.00 57.00 55.24 1oqk n GLN 28 Cb 0.64 -1.58 -0.03 0.00 -0.86 0.00 0.00 30.24 28.40 1oqk n GLN 28 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1oqk n GLY 29 N 1.68 0.98 3.48 2.61 0.00 -1.13 -4.95 105.19 107.85 1oqk n GLY 29 Ca 0.11 -0.47 -0.43 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.21 4.46 0.19 -0.61 2.07 -0.67 -4.81 121.20 119.62 1oqk s ILE 30 Ca 0.00 -0.07 -0.05 0.00 -1.41 0.00 0.00 60.65 59.11 1oqk s ILE 30 Cb 0.00 -4.54 -0.06 0.00 0.13 0.00 0.00 42.46 37.99 1oqk s ILE 30 CO 0.00 -1.16 0.44 -0.55 -1.91 0.00 0.00 174.94 171.76 1oqk s SER 31 N 3.08 6.50 0.00 4.50 0.15 -1.26 -2.45 113.70 124.22 1oqk s SER 31 Ca 0.25 0.66 0.00 0.00 0.70 0.00 0.00 55.95 57.56 1oqk s SER 31 Cb -0.15 -2.12 0.00 0.00 -1.71 0.00 0.00 66.02 62.04 1oqk s SER 31 CO 0.15 -0.02 0.00 0.61 1.20 0.00 0.00 173.24 175.18 1oqk n GLY 32 N -0.19 -0.65 4.01 9.45 0.00 0.64 -4.94 105.19 113.51 1oqk n GLY 32 Ca -0.02 -0.72 -0.18 0.00 0.00 0.00 0.00 46.02 45.11 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 -0.37 2.72 0.16 1.61 3.00 -1.26 0.04 118.95 124.85 1oqk s ARG 33 Ca 0.00 -1.19 0.03 0.00 0.00 0.00 0.00 55.73 54.57 1oqk s ARG 33 Cb 0.00 -2.70 -0.04 0.00 0.00 0.00 0.00 34.95 32.22 1oqk s ARG 33 CO 0.00 -0.41 0.26 0.08 0.00 0.00 0.00 175.30 175.23 1oqk s VAL 34 N -2.46 5.17 0.01 3.52 1.01 0.26 -0.18 120.40 127.73 1oqk s VAL 34 Ca 0.56 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.77 1oqk s VAL 34 Cb -0.10 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.61 1oqk s VAL 34 CO 0.35 -0.11 0.00 0.52 0.00 0.00 0.00 175.10 175.86 1oqk n VAL 35 N -0.56 0.01 -3.74 2.92 0.31 0.11 -1.94 118.33 115.44 1oqk n VAL 35 Ca -0.07 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.18 1oqk n VAL 35 Cb 0.54 -0.73 -0.02 0.00 -0.91 0.00 0.00 33.84 32.72 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 -0.34 -0.13 4.52 1.01 -0.98 -4.87 116.67 110.87 1oqk s ASP 36 Ca 0.00 -0.45 -0.00 0.00 0.71 0.00 0.00 52.55 52.80 1oqk s ASP 36 Cb 0.00 0.69 0.03 0.00 1.01 0.00 0.00 42.92 44.65 1oqk s ASP 36 CO 0.00 -1.24 -0.07 -1.61 0.21 0.00 0.00 175.17 172.45 1oqk s GLU 37 N -3.88 1.53 0.23 8.23 8.01 -1.26 -0.90 118.70 130.66 1oqk s GLU 37 Ca 0.08 -0.32 0.10 0.00 0.01 0.00 0.00 54.97 54.85 1oqk s GLU 37 Cb -0.05 -1.69 -0.05 0.00 -4.31 0.00 0.00 34.13 28.04 1oqk s GLU 37 CO 0.02 -0.30 -0.18 0.99 0.01 0.00 0.00 175.26 175.79 1oqk s THR 38 N 1.69 2.11 0.23 3.63 2.01 0.19 -5.01 115.64 120.47 1oqk s THR 38 Ca 0.04 -2.23 -0.14 0.00 0.31 0.00 0.00 61.69 59.68 1oqk s THR 38 Cb -0.13 -2.12 0.27 0.00 0.01 0.00 0.00 72.50 70.53 1oqk s THR 38 CO -0.08 -0.43 1.59 -0.09 -0.69 0.00 0.00 174.62 174.93 1oqk h ARG 39 N 2.62 -0.04 0.00 4.92 1.12 -2.01 -2.52 114.38 118.47 1oqk h ARG 39 Ca -0.40 0.00 -0.00 0.00 -1.11 0.00 0.00 59.98 58.47 1oqk h ARG 39 Cb 1.23 0.01 -0.00 0.00 -0.01 0.00 0.00 29.97 31.20 1oqk h ARG 39 CO 0.58 -0.02 -0.28 0.27 -3.11 0.00 0.00 179.97 177.40 1oqk n ASN 40 N -5.49 1.97 -3.54 -3.80 2.04 -1.26 -4.52 115.26 100.66 1oqk n ASN 40 Ca 0.09 -3.51 -0.15 0.00 -0.44 0.00 0.00 54.58 50.57 1oqk n ASN 40 Cb 0.39 -0.48 -0.05 0.00 -2.53 0.00 0.00 39.78 37.10 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 -3.02 0.02 -0.23 5.53 -4.23 -0.95 -3.96 115.64 108.80 1oqk s THR 41 Ca 0.35 -0.13 -0.04 0.00 -1.18 0.00 0.00 61.69 60.69 1oqk s THR 41 Cb 0.33 -0.97 0.08 0.00 1.34 0.00 0.00 72.50 73.27 1oqk s THR 41 CO -0.03 -0.07 0.08 -0.22 -0.54 0.00 0.00 174.62 173.85 1oqk s LEU 42 N -1.78 0.89 0.00 4.79 1.98 0.35 0.52 118.68 125.44 1oqk s LEU 42 Ca -0.07 -0.98 -0.30 0.00 -2.89 0.00 0.00 54.13 49.89 1oqk s LEU 42 Cb -0.01 -0.46 -0.04 0.00 0.66 0.00 0.00 46.19 46.35 1oqk s LEU 42 CO 0.01 -0.37 1.11 -0.13 -1.89 0.00 0.00 176.35 175.08 1oqk s ARG 43 N 1.98 4.46 -0.37 1.98 3.00 -0.08 0.11 118.95 130.02 1oqk s ARG 43 Ca 0.04 1.60 -0.03 0.00 0.00 0.00 0.00 55.73 57.34 1oqk s ARG 43 Cb -0.16 -3.44 0.09 0.00 0.00 0.00 0.00 34.95 31.43 1oqk s ARG 43 CO -0.18 -0.23 0.14 0.42 0.00 0.00 0.00 175.30 175.46 1oqk s ILE 44 N 1.34 3.29 0.03 1.52 1.01 0.25 0.09 121.20 128.73 1oqk s ILE 44 Ca 0.55 -1.76 0.06 0.00 0.00 0.00 0.00 60.65 59.50 1oqk s ILE 44 Cb -0.25 -3.11 -0.02 0.00 0.01 0.00 0.00 42.46 39.09 1oqk s ILE 44 CO 0.26 -0.48 -0.18 -0.70 0.00 0.00 0.00 174.94 173.84 1oqk s GLU 45 N 1.21 1.28 -0.02 2.79 2.12 0.75 0.15 118.70 126.98 1oqk s GLU 45 Ca 0.03 -0.80 0.07 0.00 0.36 0.00 0.00 54.97 54.63 1oqk s GLU 45 Cb -0.22 -1.33 -0.02 0.00 0.26 0.00 0.00 34.13 32.82 1oqk s GLU 45 CO -0.02 0.34 -0.22 0.00 -0.54 0.00 0.00 175.26 174.82 1oqk s MET 46 N -0.95 2.18 0.58 4.30 0.23 0.34 0.89 119.30 126.88 1oqk s MET 46 Ca 0.06 -0.89 0.37 0.00 -1.03 0.00 0.00 55.69 54.20 1oqk s MET 46 Cb -0.08 -2.14 1.36 0.00 -1.53 0.00 0.00 34.83 32.44 1oqk s MET 46 CO 0.01 0.57 1.52 -0.44 -2.03 0.00 0.00 175.02 174.65 1oqk h ASP 47 N 5.30 0.00 0.00 -1.18 3.32 -1.92 1.16 116.42 123.11 1oqk h ASP 47 Ca -0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.60 1oqk h ASP 47 Cb 1.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.68 1oqk h ASP 47 CO 0.48 0.00 0.05 -0.78 -1.72 0.00 0.00 179.24 177.27 1oqk h ASP 48 N 0.00 0.00 0.00 6.45 1.82 -2.03 -3.44 116.42 119.22 1oqk h ASP 48 Ca 0.65 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.29 1oqk h ASP 48 Cb 3.03 0.00 0.00 0.00 0.68 0.00 0.00 39.33 43.04 1oqk h ASP 48 CO -0.01 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 178.23 1oqk n GLY 49 N -1.22 1.01 3.41 -0.78 0.00 0.40 -5.08 105.19 102.92 1oqk n GLY 49 Ca -0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.21 3.23 0.11 1.61 1.81 -0.98 -4.94 118.95 119.59 1oqk s ARG 50 Ca 0.00 -0.78 0.09 0.00 -1.72 0.00 0.00 55.73 53.32 1oqk s ARG 50 Cb 0.00 -3.51 -0.04 0.00 -0.45 0.00 0.00 34.95 30.95 1oqk s ARG 50 CO 0.00 -0.44 -0.19 -1.83 -0.68 0.00 0.00 175.30 172.16 1oqk s GLU 51 N 1.57 1.77 -0.27 3.54 -1.05 -1.26 -0.50 118.70 122.51 1oqk s GLU 51 Ca 0.04 -1.18 -0.11 0.00 -0.15 0.00 0.00 54.97 53.57 1oqk s GLU 51 Cb -0.17 -2.10 0.11 0.00 -0.44 0.00 0.00 34.13 31.53 1oqk s GLU 51 CO 0.05 0.48 0.61 -1.50 0.95 0.00 0.00 175.26 175.85 1oqk s ILE 52 N -1.11 -0.64 0.60 1.83 1.10 0.39 -4.93 121.20 118.44 1oqk s ILE 52 Ca 0.17 0.03 -0.16 0.00 -0.51 0.00 0.00 60.65 60.18 1oqk s ILE 52 Cb -0.10 -0.92 -0.03 0.00 0.15 0.00 0.00 42.46 41.55 1oqk s ILE 52 CO 0.09 0.01 1.08 0.28 -2.11 0.00 0.00 174.94 174.30 1oqk s THR 53 N 2.45 3.52 -0.21 4.00 -1.32 -1.26 0.84 115.64 123.65 1oqk s THR 53 Ca -0.06 0.76 -0.06 0.00 -1.21 0.00 0.00 61.69 61.12 1oqk s THR 53 Cb -0.10 -3.28 0.10 0.00 -1.51 0.00 0.00 72.50 67.71 1oqk s THR 53 CO -0.18 -0.38 0.42 -0.69 -2.21 0.00 0.00 174.62 171.58 1oqk s VAL 54 N -2.27 -0.65 0.05 5.08 1.01 0.29 -4.83 120.40 119.08 1oqk s VAL 54 Ca 0.66 0.12 -0.33 0.00 0.00 0.00 0.00 61.98 62.43 1oqk s VAL 54 Cb -0.19 -0.70 -0.12 0.00 0.00 0.00 0.00 36.38 35.37 1oqk s VAL 54 CO 0.36 0.03 1.78 -2.65 0.00 0.00 0.00 175.10 174.62 1oqk n PRO 55 N 5.39 2.39 0.00 2.72 -0.02 -1.26 0.13 135.00 144.34 1oqk n PRO 55 Ca -0.07 0.87 0.11 0.00 -2.02 0.00 0.00 63.50 62.39 1oqk n PRO 55 Cb 0.50 -2.71 0.05 0.00 -0.02 0.00 0.00 33.50 31.31 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 5.43 1.77 -0.29 -0.52 5.02 -1.25 -4.39 118.16 123.92 1oqk n LYS 56 Ca 0.19 -1.46 0.33 0.00 -2.02 0.00 0.00 58.31 55.36 1oqk n LYS 56 Cb 0.32 -1.46 0.74 0.00 -0.02 0.00 0.00 35.03 34.61 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 4.71 0.02 -5.20 0.72 0.00 -1.78 -3.12 103.07 98.41 1oqk h GLY 57 Ca 0.00 -0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.04 1oqk h GLY 57 CO 0.00 -0.00 -0.60 1.39 0.00 0.00 0.00 176.54 177.33 1oqk n ILE 58 N -4.21 -0.07 -3.62 2.60 -0.00 -0.89 -4.48 119.36 108.69 1oqk n ILE 58 Ca 0.24 -2.09 -0.25 0.00 -0.00 0.00 0.00 62.75 60.65 1oqk n ILE 58 Cb 1.17 1.01 -0.17 0.00 -0.00 0.00 0.00 39.64 41.65 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 0.36 0.18 -1.39 0.00 -0.98 -1.35 121.76 118.51 1oqk s ALA 59 Ca 0.28 -0.18 -0.29 0.00 0.00 0.00 0.00 51.96 51.78 1oqk s ALA 59 Cb 0.27 -0.96 -0.08 0.00 0.00 0.00 0.00 23.12 22.36 1oqk s ALA 59 CO -0.12 -1.04 0.90 0.54 0.00 0.00 0.00 175.76 176.05 1oqk s VAL 60 N 2.15 4.29 0.24 0.00 0.11 0.06 -0.04 120.40 127.21 1oqk s VAL 60 Ca 0.03 1.97 -0.17 0.00 -2.93 0.00 0.00 61.98 60.88 1oqk s VAL 60 Cb -0.15 -4.27 0.02 0.00 -1.53 0.00 0.00 36.38 30.44 1oqk s VAL 60 CO -0.08 0.45 0.58 0.72 -3.33 0.00 0.00 175.10 173.44 1oqk s PHE 61 N -0.79 -0.01 -0.03 1.54 -0.12 -0.88 0.01 117.98 117.69 1oqk s PHE 61 Ca 0.41 -0.38 0.00 0.00 -0.05 0.00 0.00 56.93 56.91 1oqk s PHE 61 Cb -0.24 0.45 0.03 0.00 -0.63 0.00 0.00 43.02 42.62 1oqk s PHE 61 CO 0.30 -1.06 0.01 -1.01 -0.05 0.00 0.00 175.22 173.41 1oqk s HIS 62 N -3.93 0.33 -0.07 3.49 3.76 -0.53 -1.86 115.29 116.48 1oqk s HIS 62 Ca 0.14 0.00 0.03 0.00 -0.15 0.00 0.00 55.06 55.08 1oqk s HIS 62 Cb -0.03 -0.46 -0.02 0.00 1.11 0.00 0.00 32.58 33.18 1oqk s HIS 62 CO 0.04 -0.15 -0.14 -0.59 -0.85 0.00 0.00 174.74 173.05 1oqk s PHE 63 N 1.20 2.72 0.05 1.40 -0.12 -0.62 -0.77 117.98 121.84 1oqk s PHE 63 Ca -0.07 -0.27 0.00 0.00 -0.05 0.00 0.00 56.93 56.54 1oqk s PHE 63 Cb -0.13 -1.68 -0.04 0.00 -0.63 0.00 0.00 43.02 40.54 1oqk s PHE 63 CO -0.02 0.09 0.16 0.50 -0.05 0.00 0.00 175.22 175.90 1oqk s ARG 64 N -0.48 3.27 -0.09 1.99 6.06 0.50 -1.29 118.95 128.91 1oqk s ARG 64 Ca 0.06 -0.48 0.03 0.00 -2.50 0.00 0.00 55.73 52.84 1oqk s ARG 64 Cb -0.12 -2.96 -0.01 0.00 0.06 0.00 0.00 34.95 31.92 1oqk s ARG 64 CO 0.02 0.62 -0.18 0.99 -2.50 0.00 0.00 175.30 174.24 1oqk s THR 65 N -1.42 2.62 0.51 4.11 2.01 0.17 -2.28 115.64 121.36 1oqk s THR 65 Ca 0.31 -0.85 0.35 0.00 0.31 0.00 0.00 61.69 61.81 1oqk s THR 65 Cb -0.13 -2.03 0.55 0.00 0.01 0.00 0.00 72.50 70.90 1oqk s THR 65 CO 0.23 0.56 1.75 1.55 -0.69 0.00 0.00 174.62 178.02 1oqk h PRO 66 N 6.20 0.07 0.00 4.92 0.13 -1.90 0.83 132.00 142.25 1oqk h PRO 66 Ca -0.31 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1oqk h PRO 66 Cb 1.19 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1oqk h PRO 66 CO 0.51 0.05 0.00 1.96 -0.23 0.00 0.00 178.00 180.28 1oqk h GLN 67 N 0.08 0.00 0.00 0.86 7.50 -2.01 -3.44 115.11 118.09 1oqk h GLN 67 Ca 0.65 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.80 1oqk h GLN 67 Cb 2.40 0.00 0.00 0.00 0.05 0.00 0.00 27.48 29.93 1oqk h GLN 67 CO -0.10 0.00 0.00 0.41 -1.50 0.00 0.00 178.83 177.64 1oqk n GLY 68 N -1.08 1.20 3.21 3.46 0.00 0.28 -5.12 105.19 107.15 1oqk n GLY 68 Ca -0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.18 1.29 -0.12 1.61 2.02 -0.97 -4.96 118.70 117.39 1oqk s GLU 69 Ca 0.00 -0.85 0.02 0.00 0.02 0.00 0.00 54.97 54.15 1oqk s GLU 69 Cb 0.00 -1.36 0.01 0.00 0.10 0.00 0.00 34.13 32.89 1oqk s GLU 69 CO 0.00 0.35 -0.17 -1.17 0.02 0.00 0.00 175.26 174.29 1oqk s LEU 70 N -1.05 1.80 0.20 1.80 2.96 -1.26 0.42 118.68 123.55 1oqk s LEU 70 Ca 0.06 -0.48 0.10 0.00 -0.22 0.00 0.00 54.13 53.60 1oqk s LEU 70 Cb -0.08 -1.18 -0.04 0.00 0.50 0.00 0.00 46.19 45.38 1oqk s LEU 70 CO 0.01 0.02 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.22 1oqk s VAL 71 N 1.02 2.85 -0.01 1.68 1.01 -0.41 -5.00 120.40 121.54 1oqk s VAL 71 Ca -0.05 -1.89 0.06 0.00 0.00 0.00 0.00 61.98 60.10 1oqk s VAL 71 Cb -0.15 -2.42 -0.02 0.00 0.00 0.00 0.00 36.38 33.80 1oqk s VAL 71 CO -0.03 -0.16 -0.19 -1.83 0.00 0.00 0.00 175.10 172.88 1oqk s GLU 72 N -2.92 1.51 -0.17 2.72 1.03 -1.26 -1.59 118.70 118.02 1oqk s GLU 72 Ca 0.25 -0.72 -0.04 0.00 0.03 0.00 0.00 54.97 54.49 1oqk s GLU 72 Cb -0.08 -1.48 0.08 0.00 -0.80 0.00 0.00 34.13 31.85 1oqk s GLU 72 CO 0.14 0.40 0.26 0.42 -1.33 0.00 0.00 175.26 175.15 1oqk s ILE 73 N -0.50 -0.40 -0.72 1.83 1.01 -0.78 -5.03 121.20 116.60 1oqk s ILE 73 Ca 0.07 0.09 -0.25 0.00 0.00 0.00 0.00 60.65 60.56 1oqk s ILE 73 Cb -0.08 -0.57 0.04 0.00 0.01 0.00 0.00 42.46 41.86 1oqk s ILE 73 CO -0.00 -0.04 1.19 -1.81 0.00 0.00 0.00 174.94 174.28 1oqk s ASP 74 N 2.39 6.18 0.16 3.58 1.01 -1.26 -2.08 116.67 126.64 1oqk s ASP 74 Ca 0.05 -0.65 0.13 0.00 0.71 0.00 0.00 52.55 52.79 1oqk s ASP 74 Cb -0.14 -2.52 0.66 0.00 1.01 0.00 0.00 42.92 41.94 1oqk s ASP 74 CO -0.11 -1.70 1.41 0.61 0.21 0.00 0.00 175.17 175.59 1oqk n GLY 75 N 5.40 -0.82 0.12 0.21 0.00 0.95 0.13 105.19 111.18 1oqk n GLY 75 Ca 0.02 0.08 -0.16 0.00 0.00 0.00 0.00 46.02 45.96 1oqk n GLY 75 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1oqk n ARG 76 N -1.89 0.67 0.00 1.61 1.85 -1.26 -2.10 116.66 115.55 1oqk n ARG 76 Ca 0.00 0.13 0.11 0.00 -1.00 0.00 0.00 57.85 57.10 1oqk n ARG 76 Cb 0.07 -1.56 0.05 0.00 -1.05 0.00 0.00 32.46 29.97 1oqk n ARG 76 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1oqk n ALA 77 N -3.06 3.54 -2.36 2.89 0.00 -1.00 -4.41 120.51 116.12 1oqk n ALA 77 Ca -0.39 -0.61 -0.18 0.00 0.00 0.00 0.00 53.44 52.26 1oqk n ALA 77 Cb 1.04 -0.84 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 1.28 0.00 0.00 0.00 177.50 178.78 1oqk n LEU 78 N -0.17 3.82 -4.55 0.00 7.99 0.12 -5.02 117.00 119.18 1oqk n LEU 78 Ca 0.09 -4.38 -0.40 0.00 -0.01 0.00 0.00 56.01 51.31 1oqk n LEU 78 Cb 0.45 -0.12 -0.03 0.00 -0.11 0.00 0.00 43.42 43.61 1oqk n LEU 78 CO 0.29 1.85 1.29 0.54 -1.51 0.00 0.00 177.39 179.85 1oqk s VAL 79 N -4.49 3.64 0.12 4.08 0.11 -1.26 -4.87 120.40 117.73 1oqk s VAL 79 Ca 0.43 0.40 -0.02 0.00 -2.93 0.00 0.00 61.98 59.86 1oqk s VAL 79 Cb 0.39 -4.60 -0.05 0.00 -1.53 0.00 0.00 36.38 30.60 1oqk s VAL 79 CO -0.03 -1.51 0.31 0.00 -3.33 0.00 0.00 175.10 170.54 1oqk s ALA 80 N 6.62 3.89 0.20 1.54 0.00 -1.26 -5.12 121.76 127.64 1oqk s ALA 80 Ca 0.46 -0.73 0.10 0.00 0.00 0.00 0.00 51.96 51.79 1oqk s ALA 80 Cb -0.10 -1.97 -0.04 0.00 0.00 0.00 0.00 23.12 21.01 1oqk s ALA 80 CO 0.18 0.69 -0.16 1.03 0.00 0.00 0.00 175.76 177.51 1oqk s ARG 81 N -2.72 1.83 0.36 0.00 3.00 -1.26 -4.87 118.95 115.29 1oqk s ARG 81 Ca 0.38 -1.42 -0.26 0.00 0.00 0.00 0.00 55.73 54.43 1oqk s ARG 81 Cb -0.12 -2.00 -0.12 0.00 0.00 0.00 0.00 34.95 32.70 1oqk s ARG 81 CO 0.27 0.41 0.97 -0.35 0.00 0.00 0.00 175.30 176.59 1oqk n PRO 82 N 0.01 1.29 0.32 3.54 -0.04 -1.11 -4.83 135.00 134.17 1oqk n PRO 82 Ca -0.11 0.46 0.20 0.00 -0.04 0.00 0.00 63.50 64.01 1oqk n PRO 82 Cb 0.56 -1.91 1.08 0.00 -0.04 0.00 0.00 33.50 33.20 1oqk n PRO 82 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1oqk h GLU 83 N 1.67 0.00 0.12 0.54 4.81 -2.03 -1.47 114.58 118.22 1oqk h GLU 83 Ca -0.42 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 58.48 1oqk h GLU 83 Cb 1.34 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.71 1oqk h GLU 83 CO 0.58 0.00 -1.77 1.49 -0.73 0.00 0.00 179.01 178.58 1oqk h GLU 84 N 0.00 0.25 -4.16 1.92 4.81 -2.06 -3.44 114.58 111.90 1oqk h GLU 84 Ca 0.01 -0.42 -0.59 0.00 -0.13 0.00 0.00 59.36 58.22 1oqk h GLU 84 Cb 0.17 0.16 -0.39 0.00 0.63 0.00 0.00 28.75 29.32 1oqk h GLU 84 CO -0.00 1.10 -0.78 0.50 -0.73 0.00 0.00 179.01 179.10 1oqk s ARG 85 N -2.59 1.38 0.00 1.92 3.52 -0.55 -5.25 118.95 117.38 1oqk s ARG 85 Ca -0.14 -0.88 0.01 0.00 -0.13 0.00 0.00 55.73 54.58 1oqk s ARG 85 Cb 0.07 -2.48 0.01 0.00 -1.56 0.00 0.00 34.95 30.99 1oqk s ARG 85 CO 0.82 -0.63 0.53 -0.89 -0.81 0.00 0.00 175.30 174.33