#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 0.68 -0.08 -0.14 3.76 -1.26 -5.04 115.29 113.21 1oqk s HIS 10 Ca 0.00 0.80 0.03 0.00 -0.15 0.00 0.00 55.06 55.74 1oqk s HIS 10 Cb 0.00 -3.14 -0.02 0.00 1.11 0.00 0.00 32.58 30.53 1oqk s HIS 10 CO 0.00 -4.09 -0.16 -2.00 -0.85 0.00 0.00 174.74 167.64 1oqk s GLU 11 N -4.94 2.83 0.11 1.40 2.12 -1.26 -5.02 118.70 113.94 1oqk s GLU 11 Ca 0.69 -0.74 0.00 0.00 0.36 0.00 0.00 54.97 55.28 1oqk s GLU 11 Cb -0.17 -2.42 -0.20 0.00 0.26 0.00 0.00 34.13 31.60 1oqk s GLU 11 CO 0.60 0.43 1.23 1.25 -0.54 0.00 0.00 175.26 178.23 1oqk h LEU 12 N 5.97 0.28-10.30 2.70 6.46 -2.02 -3.46 115.31 114.94 1oqk h LEU 12 Ca -0.36 -0.28 -0.52 0.00 -0.12 0.00 0.00 57.88 56.60 1oqk h LEU 12 Cb 1.18 -0.09 0.15 0.00 -0.73 0.00 0.00 40.66 41.17 1oqk h LEU 12 CO 0.51 1.18 0.29 -0.63 -0.62 0.00 0.00 178.44 179.17 1oqk s ILE 13 N -2.81 2.88 0.00 4.05 -1.09 -1.26 -3.25 121.20 119.72 1oqk s ILE 13 Ca -0.02 0.29 0.00 0.00 -2.23 0.00 0.00 60.65 58.68 1oqk s ILE 13 Cb 0.09 -2.62 0.00 0.00 -1.58 0.00 0.00 42.46 38.35 1oqk s ILE 13 CO 0.85 -0.37 0.00 0.61 -1.23 0.00 0.00 174.94 174.80 1oqk n GLY 14 N -0.71 1.05 3.97 6.18 0.00 -1.26 -5.01 105.19 109.40 1oqk n GLY 14 Ca 0.10 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.90 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 3.60 0.36 0.99 1.43 -1.20 -4.93 118.68 118.94 1oqk s LEU 15 Ca 0.00 0.11 -0.03 0.00 -1.03 0.00 0.00 54.13 53.18 1oqk s LEU 15 Cb 0.00 -3.01 -0.04 0.00 0.03 0.00 0.00 46.19 43.17 1oqk s LEU 15 CO 0.00 -0.77 0.61 -0.55 0.23 0.00 0.00 176.35 175.87 1oqk s SER 16 N -4.27 6.35 0.09 2.29 0.15 -0.42 -2.46 113.70 115.42 1oqk s SER 16 Ca 0.50 0.67 0.08 0.00 0.70 0.00 0.00 55.95 57.90 1oqk s SER 16 Cb -0.10 -2.13 -0.03 0.00 -1.71 0.00 0.00 66.02 62.05 1oqk s SER 16 CO 0.37 -0.33 -0.20 -0.69 1.20 0.00 0.00 173.24 173.58 1oqk s VAL 17 N -2.34 1.66 -0.13 4.45 1.01 0.12 -0.55 120.40 124.63 1oqk s VAL 17 Ca 0.43 -1.48 -0.03 0.00 0.00 0.00 0.00 61.98 60.91 1oqk s VAL 17 Cb -0.10 -1.51 0.05 0.00 0.00 0.00 0.00 36.38 34.82 1oqk s VAL 17 CO 0.36 -0.04 0.04 -0.13 0.00 0.00 0.00 175.10 175.33 1oqk s ARG 18 N -1.80 0.46 -0.06 2.72 1.81 0.60 -1.95 118.95 120.72 1oqk s ARG 18 Ca 0.06 -0.10 -0.17 0.00 -1.72 0.00 0.00 55.73 53.80 1oqk s ARG 18 Cb -0.10 -1.51 -0.05 0.00 -0.45 0.00 0.00 34.95 32.85 1oqk s ARG 18 CO 0.04 -0.50 0.47 0.42 -0.68 0.00 0.00 175.30 175.05 1oqk s ILE 19 N 1.98 5.09 -0.11 1.52 1.09 -1.25 -0.06 121.20 129.46 1oqk s ILE 19 Ca 0.02 0.95 0.08 0.00 -1.10 0.00 0.00 60.65 60.61 1oqk s ILE 19 Cb -0.15 -3.80 -0.12 0.00 -1.06 0.00 0.00 42.46 37.33 1oqk s ILE 19 CO -0.07 0.43 0.01 0.00 -0.10 0.00 0.00 174.94 175.21 1oqk n ALA 20 N 2.92 1.74 -3.48 9.38 0.00 -0.54 -4.21 120.51 126.31 1oqk n ALA 20 Ca -0.09 -0.67 -0.13 0.00 0.00 0.00 0.00 53.44 52.55 1oqk n ALA 20 Cb 0.52 0.06 -0.09 0.00 0.00 0.00 0.00 19.45 19.94 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 -2.26 0.62 0.12 0.00 0.52 -1.19 -4.43 118.95 112.34 1oqk s ARG 21 Ca -0.07 0.80 -0.01 0.00 -0.52 0.00 0.00 55.73 55.93 1oqk s ARG 21 Cb 0.03 0.27 -0.04 0.00 0.52 0.00 0.00 34.95 35.74 1oqk s ARG 21 CO 0.41 -0.09 0.03 -1.12 0.02 0.00 0.00 175.30 174.55 1oqk s SER 22 N 0.47 0.47 0.14 0.23 0.01 -1.26 -1.34 113.70 112.42 1oqk s SER 22 Ca -0.01 -1.16 -0.17 0.00 1.31 0.00 0.00 55.95 55.91 1oqk s SER 22 Cb -0.04 0.25 -0.01 0.00 0.21 0.00 0.00 66.02 66.43 1oqk s SER 22 CO -0.02 -0.68 1.75 1.62 0.41 0.00 0.00 173.24 176.32 1oqk h VAL 23 N 2.89 1.13 -3.21 3.43 3.04 -1.62 -3.42 116.25 118.50 1oqk h VAL 23 Ca -0.35 -0.33 -0.66 0.00 -1.01 0.00 0.00 66.70 64.34 1oqk h VAL 23 Cb 1.19 0.70 -0.14 0.00 -2.01 0.00 0.00 31.29 31.03 1oqk h VAL 23 CO 0.61 0.14 -0.59 -1.00 -1.01 0.00 0.00 177.57 175.71 1oqk s HIS 24 N -5.91 3.23 0.11 3.17 3.76 -1.26 -4.99 115.29 113.40 1oqk s HIS 24 Ca -0.13 0.18 0.34 0.00 -0.15 0.00 0.00 55.06 55.30 1oqk s HIS 24 Cb 0.10 -1.88 1.41 0.00 1.11 0.00 0.00 32.58 33.32 1oqk s HIS 24 CO 0.73 0.41 2.00 0.00 -0.85 0.00 0.00 174.74 177.02 1oqk h ARG 25 N 5.54 0.00 0.00 1.40 -0.00 -1.94 -1.99 114.38 117.39 1oqk h ARG 25 Ca -0.47 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.01 1oqk h ARG 25 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.16 1oqk h ARG 25 CO 0.59 0.00 0.00 0.38 0.00 0.00 0.00 179.97 180.94 1oqk h ASP 26 N 0.00 0.00 0.00 7.04 3.04 -1.97 -2.83 116.42 121.70 1oqk h ASP 26 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 1oqk h ASP 26 Cb 0.49 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.78 1oqk h ASP 26 CO 0.00 0.00 -0.17 2.30 -2.04 0.00 0.00 179.24 179.33 1oqk n ILE 27 N -2.79 0.34 -2.99 4.15 -6.64 -1.02 -5.04 119.36 105.38 1oqk n ILE 27 Ca -0.01 -0.39 -0.35 0.00 -1.77 0.00 0.00 62.75 60.24 1oqk n ILE 27 Cb 0.15 0.62 -0.06 0.00 -1.44 0.00 0.00 39.64 38.91 1oqk n ILE 27 CO 0.00 0.00 0.00 -1.58 -1.77 0.00 0.00 176.55 173.20 1oqk s GLN 28 N -0.45 4.27 -1.22 6.28 0.74 -0.78 -3.70 119.66 124.79 1oqk s GLN 28 Ca 0.04 0.97 0.00 0.00 0.05 0.00 0.00 55.36 56.42 1oqk s GLN 28 Cb 0.03 -2.64 0.00 0.00 1.10 0.00 0.00 33.01 31.50 1oqk s GLN 28 CO 0.00 0.24 0.00 0.41 -0.55 0.00 0.00 175.29 175.39 1oqk n GLY 29 N 0.20 1.14 3.49 2.59 0.00 -1.26 -4.95 105.19 106.40 1oqk n GLY 29 Ca 0.02 -0.07 -0.38 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 -2.08 4.82 0.57 -0.61 -1.09 -1.24 -4.90 121.20 116.66 1oqk s ILE 30 Ca 0.00 -0.18 0.01 0.00 -2.23 0.00 0.00 60.65 58.25 1oqk s ILE 30 Cb 0.00 -3.37 0.04 0.00 -1.58 0.00 0.00 42.46 37.55 1oqk s ILE 30 CO 0.00 0.17 0.80 -0.94 -1.23 0.00 0.00 174.94 173.74 1oqk s SER 31 N 1.67 5.20 -0.00 3.58 1.04 -1.26 -3.96 113.70 119.96 1oqk s SER 31 Ca 0.06 -0.00 -0.02 0.00 0.48 0.00 0.00 55.95 56.47 1oqk s SER 31 Cb -0.16 -0.84 0.01 0.00 0.10 0.00 0.00 66.02 65.12 1oqk s SER 31 CO 0.07 -1.21 0.08 0.61 0.98 0.00 0.00 173.24 173.78 1oqk n GLY 32 N -2.40 0.48 4.01 7.32 0.00 -0.82 -4.96 105.19 108.81 1oqk n GLY 32 Ca 0.08 -0.83 -0.18 0.00 0.00 0.00 0.00 46.02 45.10 1oqk n GLY 32 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1oqk s ARG 33 N -2.00 2.75 0.14 1.61 6.06 -1.26 0.11 118.95 126.36 1oqk s ARG 33 Ca 0.02 -1.19 0.03 0.00 -2.50 0.00 0.00 55.73 52.09 1oqk s ARG 33 Cb -0.00 -2.71 -0.04 0.00 0.06 0.00 0.00 34.95 32.26 1oqk s ARG 33 CO -0.00 -0.37 0.19 0.54 -2.50 0.00 0.00 175.30 173.15 1oqk s VAL 34 N -2.43 4.88 0.00 7.11 0.11 0.90 -1.87 120.40 129.09 1oqk s VAL 34 Ca 0.56 -0.83 0.00 0.00 -2.93 0.00 0.00 61.98 58.78 1oqk s VAL 34 Cb -0.10 -3.47 0.00 0.00 -1.53 0.00 0.00 36.38 31.28 1oqk s VAL 34 CO 0.34 -0.04 0.00 0.55 -3.33 0.00 0.00 175.10 172.62 1oqk n VAL 35 N -0.24 0.00 -3.75 2.04 3.14 0.07 -1.61 118.33 117.99 1oqk n VAL 35 Ca -0.08 0.00 -0.09 0.00 -2.96 0.00 0.00 64.34 61.22 1oqk n VAL 35 Cb 0.54 -0.57 -0.02 0.00 -1.06 0.00 0.00 33.84 32.72 1oqk n VAL 35 CO 0.00 0.00 0.00 1.51 -6.46 0.00 0.00 176.83 171.88 1oqk s ASP 36 N -4.88 -0.33 -0.05 6.55 1.47 -0.94 -4.92 116.67 113.55 1oqk s ASP 36 Ca 0.00 -0.46 0.03 0.00 1.18 0.00 0.00 52.55 53.30 1oqk s ASP 36 Cb 0.00 0.68 0.01 0.00 -0.34 0.00 0.00 42.92 43.27 1oqk s ASP 36 CO 0.00 -1.23 -0.12 -1.61 0.68 0.00 0.00 175.17 172.90 1oqk s GLU 37 N -3.88 1.50 0.07 2.11 2.02 -1.26 -1.72 118.70 117.55 1oqk s GLU 37 Ca 0.09 -0.40 0.10 0.00 0.02 0.00 0.00 54.97 54.77 1oqk s GLU 37 Cb -0.04 -1.29 -0.03 0.00 0.10 0.00 0.00 34.13 32.87 1oqk s GLU 37 CO 0.01 0.07 -0.26 0.99 0.02 0.00 0.00 175.26 176.09 1oqk s THR 38 N 0.49 2.14 -0.25 3.63 2.01 0.63 -5.00 115.64 119.29 1oqk s THR 38 Ca -0.10 -1.49 0.13 0.00 0.31 0.00 0.00 61.69 60.53 1oqk s THR 38 Cb -0.14 -1.85 0.13 0.00 0.01 0.00 0.00 72.50 70.65 1oqk s THR 38 CO 0.03 0.27 1.34 0.54 -0.69 0.00 0.00 174.62 176.10 1oqk n ARG 39 N 1.51 0.09 0.00 4.92 5.12 -1.26 -1.98 116.66 125.06 1oqk n ARG 39 Ca -0.17 0.55 0.00 0.00 -1.93 0.00 0.00 57.85 56.30 1oqk n ARG 39 Cb 0.52 -1.93 0.00 0.00 -1.16 0.00 0.00 32.46 29.89 1oqk n ARG 39 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 1oqk n ASN 40 N -1.98 0.34 -3.47 0.55 2.04 -1.26 -4.43 115.26 107.05 1oqk n ASN 40 Ca -0.01 -1.10 -0.12 0.00 -0.44 0.00 0.00 54.58 52.91 1oqk n ASN 40 Cb 0.16 0.00 -0.03 0.00 -2.53 0.00 0.00 39.78 37.39 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 -0.10 0.02 0.03 5.53 -1.32 -0.84 -3.74 115.64 115.22 1oqk s THR 41 Ca 0.00 -0.13 0.06 0.00 -1.21 0.00 0.00 61.69 60.40 1oqk s THR 41 Cb 0.00 -1.04 -0.03 0.00 -1.51 0.00 0.00 72.50 69.92 1oqk s THR 41 CO 0.00 -0.07 -0.13 -0.76 -2.21 0.00 0.00 174.62 171.45 1oqk s LEU 42 N -2.72 2.85 -0.13 9.08 1.43 0.15 -0.27 118.68 129.07 1oqk s LEU 42 Ca 0.01 -0.31 0.01 0.00 -1.03 0.00 0.00 54.13 52.81 1oqk s LEU 42 Cb -0.00 -1.65 0.02 0.00 0.03 0.00 0.00 46.19 44.58 1oqk s LEU 42 CO -0.12 0.26 -0.15 -0.60 0.23 0.00 0.00 176.35 175.98 1oqk s ARG 43 N -1.45 2.26 -0.23 1.70 6.06 -0.70 -0.19 118.95 126.40 1oqk s ARG 43 Ca 0.16 -0.56 -0.08 0.00 -2.50 0.00 0.00 55.73 52.75 1oqk s ARG 43 Cb -0.11 -2.01 -0.04 0.00 0.06 0.00 0.00 34.95 32.85 1oqk s ARG 43 CO 0.06 -0.16 0.10 0.42 -2.50 0.00 0.00 175.30 173.22 1oqk s ILE 44 N 1.28 4.80 -0.01 4.11 1.01 0.29 -0.75 121.20 131.93 1oqk s ILE 44 Ca 0.00 -0.02 0.03 0.00 0.00 0.00 0.00 60.65 60.67 1oqk s ILE 44 Cb -0.14 -3.22 -0.01 0.00 0.01 0.00 0.00 42.46 39.11 1oqk s ILE 44 CO -0.07 0.37 -0.11 -0.70 0.00 0.00 0.00 174.94 174.43 1oqk s GLU 45 N 1.11 0.99 -0.14 2.79 2.12 -0.63 0.68 118.70 125.62 1oqk s GLU 45 Ca 0.05 -0.40 -0.03 0.00 0.36 0.00 0.00 54.97 54.95 1oqk s GLU 45 Cb -0.14 -0.94 -0.03 0.00 0.26 0.00 0.00 34.13 33.28 1oqk s GLU 45 CO 0.04 0.22 -0.03 -1.64 -0.54 0.00 0.00 175.26 173.31 1oqk s MET 46 N -0.15 3.53 0.57 4.30 -1.94 -0.30 -0.07 119.30 125.24 1oqk s MET 46 Ca 0.02 -0.49 0.35 0.00 -1.71 0.00 0.00 55.69 53.86 1oqk s MET 46 Cb -0.06 -2.90 1.42 0.00 2.01 0.00 0.00 34.83 35.31 1oqk s MET 46 CO -0.00 0.35 1.67 0.22 -0.01 0.00 0.00 175.02 177.25 1oqk h ASP 47 N 6.36 0.00 0.15 3.03 3.58 -1.90 0.97 116.42 128.60 1oqk h ASP 47 Ca -0.36 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.09 1oqk h ASP 47 Cb 1.19 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.24 1oqk h ASP 47 CO 0.62 0.00 0.00 0.47 -2.88 0.00 0.00 179.24 177.45 1oqk n ASP 48 N -3.81 0.29 0.00 2.28 9.92 -1.26 -4.78 116.55 119.19 1oqk n ASP 48 Ca 0.24 0.62 0.00 0.00 -0.53 0.00 0.00 54.79 55.12 1oqk n ASP 48 Cb 1.31 -0.66 0.00 0.00 -0.64 0.00 0.00 41.12 41.12 1oqk n ASP 48 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1oqk n GLY 49 N -1.05 1.40 3.86 0.44 0.00 0.33 -5.11 105.19 105.05 1oqk n GLY 49 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.34 2.99 -0.14 1.61 0.52 -0.88 -4.95 118.95 117.76 1oqk s ARG 50 Ca 0.00 -1.04 -0.16 0.00 -0.52 0.00 0.00 55.73 54.01 1oqk s ARG 50 Cb 0.00 -2.61 0.04 0.00 0.52 0.00 0.00 34.95 32.90 1oqk s ARG 50 CO 0.00 0.34 0.43 -1.21 0.02 0.00 0.00 175.30 174.88 1oqk s GLU 51 N -3.91 0.55 -0.21 3.54 2.02 -1.26 -1.15 118.70 118.27 1oqk s GLU 51 Ca 0.35 0.49 -0.25 0.00 0.02 0.00 0.00 54.97 55.58 1oqk s GLU 51 Cb -0.08 0.26 0.07 0.00 0.10 0.00 0.00 34.13 34.48 1oqk s GLU 51 CO 0.26 -0.08 0.68 -1.50 0.02 0.00 0.00 175.26 174.64 1oqk s ILE 52 N -0.01 0.00 0.21 -1.63 1.10 0.21 -4.99 121.20 116.10 1oqk s ILE 52 Ca -0.02 -0.01 -0.01 0.00 -0.51 0.00 0.00 60.65 60.10 1oqk s ILE 52 Cb -0.03 -0.96 -0.04 0.00 0.15 0.00 0.00 42.46 41.58 1oqk s ILE 52 CO 0.01 -0.00 0.41 0.28 -2.11 0.00 0.00 174.94 173.53 1oqk s THR 53 N 0.04 5.18 -0.09 4.00 -1.32 -1.26 0.11 115.64 122.30 1oqk s THR 53 Ca -0.02 -0.32 -0.08 0.00 -1.21 0.00 0.00 61.69 60.06 1oqk s THR 53 Cb -0.04 -3.73 0.02 0.00 -1.51 0.00 0.00 72.50 67.24 1oqk s THR 53 CO 0.03 -0.19 0.24 -0.69 -2.21 0.00 0.00 174.62 171.79 1oqk s VAL 54 N -1.89 -0.00 -0.36 5.08 1.01 0.73 -4.88 120.40 120.09 1oqk s VAL 54 Ca 0.39 0.01 -0.28 0.00 0.00 0.00 0.00 61.98 62.10 1oqk s VAL 54 Cb -0.11 -0.34 0.02 0.00 0.00 0.00 0.00 36.38 35.95 1oqk s VAL 54 CO 0.29 0.00 1.04 -2.16 0.00 0.00 0.00 175.10 174.28 1oqk s PRO 55 N 0.20 3.96 0.00 2.72 0.04 -1.26 0.32 135.00 140.98 1oqk s PRO 55 Ca -0.01 0.87 0.22 0.00 0.04 0.00 0.00 61.00 62.13 1oqk s PRO 55 Cb -0.02 -3.78 0.11 0.00 0.04 0.00 0.00 34.50 30.85 1oqk s PRO 55 CO -0.00 -0.98 1.16 0.36 0.04 0.00 0.00 177.00 177.58 1oqk n LYS 56 N 6.99 1.86 -0.10 4.56 2.85 -1.26 -4.51 118.16 128.55 1oqk n LYS 56 Ca 0.11 -1.55 0.26 0.00 -1.05 0.00 0.00 58.31 56.08 1oqk n LYS 56 Cb 0.48 -1.44 0.67 0.00 -0.65 0.00 0.00 35.03 34.09 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 4.52 0.00 -5.38 2.58 0.00 -1.69 -2.86 103.07 100.24 1oqk h GLY 57 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.00 1oqk h GLY 57 CO 0.00 0.00 -0.73 1.39 0.00 0.00 0.00 176.54 177.20 1oqk n ILE 58 N -3.71 -0.09 -3.59 2.60 -0.00 -0.31 -4.32 119.36 109.94 1oqk n ILE 58 Ca 0.16 -2.63 -0.13 0.00 -0.00 0.00 0.00 62.75 60.16 1oqk n ILE 58 Cb 1.02 0.75 -0.12 0.00 -0.00 0.00 0.00 39.64 41.29 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 -0.64 -0.71 0.19 -1.39 0.00 -0.98 -1.72 121.76 116.51 1oqk s ALA 59 Ca 0.29 0.94 -0.30 0.00 0.00 0.00 0.00 51.96 52.90 1oqk s ALA 59 Cb 0.30 -1.22 -0.08 0.00 0.00 0.00 0.00 23.12 22.12 1oqk s ALA 59 CO -0.08 -0.84 0.95 0.54 0.00 0.00 0.00 175.76 176.34 1oqk s VAL 60 N 2.46 4.22 0.24 0.00 0.11 -0.45 -0.25 120.40 126.73 1oqk s VAL 60 Ca 0.03 2.07 -0.17 0.00 -2.93 0.00 0.00 61.98 60.98 1oqk s VAL 60 Cb -0.13 -4.32 0.02 0.00 -1.53 0.00 0.00 36.38 30.42 1oqk s VAL 60 CO -0.11 0.43 0.58 0.72 -3.33 0.00 0.00 175.10 173.39 1oqk s PHE 61 N -0.73 -0.00 -0.04 1.54 -0.12 -0.93 -1.46 117.98 116.23 1oqk s PHE 61 Ca 0.43 -0.39 0.01 0.00 -0.05 0.00 0.00 56.93 56.94 1oqk s PHE 61 Cb -0.25 0.44 0.02 0.00 -0.63 0.00 0.00 43.02 42.61 1oqk s PHE 61 CO 0.31 -1.05 -0.03 -1.01 -0.05 0.00 0.00 175.22 173.39 1oqk s HIS 62 N -3.93 0.64 -0.30 3.49 3.76 0.92 -2.02 115.29 117.85 1oqk s HIS 62 Ca 0.14 -0.16 -0.17 0.00 -0.15 0.00 0.00 55.06 54.72 1oqk s HIS 62 Cb -0.03 -0.60 -0.02 0.00 1.11 0.00 0.00 32.58 33.04 1oqk s HIS 62 CO 0.04 -0.18 0.48 -0.06 -0.85 0.00 0.00 174.74 174.18 1oqk s PHE 63 N 0.94 3.22 0.13 1.40 0.40 0.71 -0.29 117.98 124.49 1oqk s PHE 63 Ca -0.11 0.38 -0.10 0.00 -0.60 0.00 0.00 56.93 56.50 1oqk s PHE 63 Cb -0.14 -2.78 -0.06 0.00 0.51 0.00 0.00 43.02 40.55 1oqk s PHE 63 CO -0.00 -0.38 0.45 0.50 0.70 0.00 0.00 175.22 176.49 1oqk s ARG 64 N 2.29 3.80 -0.14 0.44 6.06 0.29 -1.04 118.95 130.65 1oqk s ARG 64 Ca 0.19 0.22 0.02 0.00 -2.50 0.00 0.00 55.73 53.66 1oqk s ARG 64 Cb -0.16 -2.90 0.01 0.00 0.06 0.00 0.00 34.95 31.96 1oqk s ARG 64 CO 0.11 0.49 -0.20 0.99 -2.50 0.00 0.00 175.30 174.19 1oqk s THR 65 N -1.52 1.95 0.46 4.11 2.01 -0.69 -1.31 115.64 120.65 1oqk s THR 65 Ca 0.38 -0.91 0.27 0.00 0.31 0.00 0.00 61.69 61.74 1oqk s THR 65 Cb -0.13 -1.74 0.47 0.00 0.01 0.00 0.00 72.50 71.11 1oqk s THR 65 CO 0.20 0.53 1.75 -0.65 -0.69 0.00 0.00 174.62 175.76 1oqk h PRO 66 N 7.45 0.20 0.00 4.92 0.11 -1.93 0.88 132.00 143.62 1oqk h PRO 66 Ca -0.34 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1oqk h PRO 66 Cb 1.18 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1oqk h PRO 66 CO 0.55 0.13 0.00 1.96 -0.21 0.00 0.00 178.00 180.43 1oqk h GLN 67 N 0.20 0.00 0.00 1.05 4.20 -2.02 -3.45 115.11 115.10 1oqk h GLN 67 Ca 0.63 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.34 1oqk h GLN 67 Cb 1.99 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.77 1oqk h GLN 67 CO -0.21 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.36 1oqk n GLY 68 N -0.96 0.74 3.36 3.46 0.00 0.30 -5.13 105.19 106.97 1oqk n GLY 68 Ca -0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 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 0.51 1.36 -0.13 1.61 2.02 -0.95 -4.98 118.70 118.14 1oqk s GLU 69 Ca 0.00 -1.45 -0.00 0.00 0.02 0.00 0.00 54.97 53.54 1oqk s GLU 69 Cb 0.00 -1.49 0.02 0.00 0.10 0.00 0.00 34.13 32.76 1oqk s GLU 69 CO 0.00 0.31 -0.11 -1.17 0.02 0.00 0.00 175.26 174.31 1oqk s LEU 70 N -2.70 1.44 -0.02 1.80 2.96 -1.26 -1.70 118.68 119.20 1oqk s LEU 70 Ca 0.18 -0.40 0.06 0.00 -0.22 0.00 0.00 54.13 53.74 1oqk s LEU 70 Cb -0.06 -1.01 -0.03 0.00 0.50 0.00 0.00 46.19 45.59 1oqk s LEU 70 CO 0.08 -0.09 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.15 1oqk s VAL 71 N 1.60 2.72 -0.04 1.68 1.01 -0.20 -4.99 120.40 122.17 1oqk s VAL 71 Ca 0.05 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 61.11 1oqk s VAL 71 Cb -0.13 -2.05 0.01 0.00 0.00 0.00 0.00 36.38 34.20 1oqk s VAL 71 CO -0.10 0.53 -0.10 -1.83 0.00 0.00 0.00 175.10 173.60 1oqk s GLU 72 N -0.87 1.13 -0.03 2.72 -1.05 -1.26 -0.21 118.70 119.12 1oqk s GLU 72 Ca 0.12 -0.33 -0.01 0.00 -0.15 0.00 0.00 54.97 54.60 1oqk s GLU 72 Cb -0.10 -1.03 0.03 0.00 -0.44 0.00 0.00 34.13 32.59 1oqk s GLU 72 CO 0.01 0.09 0.06 0.42 0.95 0.00 0.00 175.26 176.80 1oqk s ILE 73 N 0.33 -0.08 -0.66 1.83 1.09 -0.86 -5.01 121.20 117.85 1oqk s ILE 73 Ca -0.06 0.25 -0.23 0.00 -1.10 0.00 0.00 60.65 59.52 1oqk s ILE 73 Cb -0.11 -0.13 0.07 0.00 -1.06 0.00 0.00 42.46 41.24 1oqk s ILE 73 CO 0.01 0.10 0.97 -0.62 -0.10 0.00 0.00 174.94 175.30 1oqk s ASP 74 N 1.32 6.18 0.15 3.58 2.15 -1.26 -2.20 116.67 126.59 1oqk s ASP 74 Ca -0.06 -1.00 0.10 0.00 0.43 0.00 0.00 52.55 52.01 1oqk s ASP 74 Cb -0.13 -2.42 0.54 0.00 -0.30 0.00 0.00 42.92 40.61 1oqk s ASP 74 CO -0.04 -1.44 1.29 0.61 -0.17 0.00 0.00 175.17 175.42 1oqk n GLY 75 N 5.33 -0.65 0.02 2.66 0.00 0.66 -1.41 105.19 111.79 1oqk n GLY 75 Ca -0.04 0.09 -0.00 0.00 0.00 0.00 0.00 46.02 46.07 1oqk n GLY 75 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1oqk h ARG 76 N 0.00 0.00 0.00 1.61 2.43 -1.74 -0.70 114.38 115.99 1oqk h ARG 76 Ca 0.00 0.00 -0.39 0.00 -0.81 0.00 0.00 59.98 58.78 1oqk h ARG 76 Cb 0.05 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 29.54 1oqk h ARG 76 CO 0.00 0.00 -2.41 0.00 -1.51 0.00 0.00 179.97 176.05 1oqk n ALA 77 N -2.36 1.43 0.32 2.80 0.00 -1.20 -4.45 120.51 117.06 1oqk n ALA 77 Ca -0.01 -1.04 0.17 0.00 0.00 0.00 0.00 53.44 52.56 1oqk n ALA 77 Cb 0.02 -0.00 0.87 0.00 0.00 0.00 0.00 19.45 20.34 1oqk n ALA 77 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1oqk h LEU 78 N -0.25 0.00 -8.63 0.00 -0.00 -1.55 -3.40 115.31 101.47 1oqk h LEU 78 Ca -0.58 0.00 -0.47 0.00 -0.00 0.00 0.00 57.88 56.83 1oqk h LEU 78 Cb 1.77 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 42.44 1oqk h LEU 78 CO -0.17 0.00 1.63 0.52 -0.00 0.00 0.00 178.44 180.42 1oqk n VAL 79 N -2.97 -0.05 -3.33 1.22 0.31 -1.11 -4.91 118.33 107.50 1oqk n VAL 79 Ca -0.02 -0.76 -0.42 0.00 -0.01 0.00 0.00 64.34 63.13 1oqk n VAL 79 Cb 0.35 -2.75 -0.09 0.00 -0.91 0.00 0.00 33.84 30.44 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 11.85 3.44 -0.49 3.52 0.00 -1.26 -5.04 121.76 133.78 1oqk s ALA 80 Ca 0.99 -1.43 -0.16 0.00 0.00 0.00 0.00 51.96 51.36 1oqk s ALA 80 Cb -0.21 -3.01 0.09 0.00 0.00 0.00 0.00 23.12 19.99 1oqk s ALA 80 CO 0.27 -1.47 0.42 -0.98 0.00 0.00 0.00 175.76 174.00 1oqk s ARG 81 N 2.13 2.98 -0.48 0.00 1.70 -1.26 -4.78 118.95 119.23 1oqk s ARG 81 Ca 0.12 -1.44 -0.07 0.00 -0.47 0.00 0.00 55.73 53.87 1oqk s ARG 81 Cb -0.17 -4.17 -0.20 0.00 -0.57 0.00 0.00 34.95 29.83 1oqk s ARG 81 CO 0.13 -1.10 3.40 -0.35 -1.08 0.00 0.00 175.30 176.30 1oqk n PRO 82 N 5.21 2.52 -0.07 3.89 -0.04 -1.26 -4.02 135.00 141.23 1oqk n PRO 82 Ca -0.13 -1.41 -0.10 0.00 -0.04 0.00 0.00 63.50 61.83 1oqk n PRO 82 Cb 0.43 -2.23 -0.06 0.00 -0.04 0.00 0.00 33.50 31.60 1oqk n PRO 82 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1oqk n GLU 83 N 2.73 0.32 -0.09 0.54 0.28 -1.26 -4.85 120.64 118.31 1oqk n GLU 83 Ca 0.53 0.08 -0.19 0.00 -0.16 0.00 0.00 57.16 57.42 1oqk n GLU 83 Cb 0.71 -1.23 -0.06 0.00 1.43 0.00 0.00 31.44 32.28 1oqk n GLU 83 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1oqk n GLU 84 N -2.95 0.37 0.00 3.44 2.13 -1.26 -5.11 120.64 117.27 1oqk n GLU 84 Ca -0.23 0.16 0.00 0.00 0.66 0.00 0.00 57.16 57.75 1oqk n GLU 84 Cb 0.74 -1.13 0.00 0.00 0.27 0.00 0.00 31.44 31.32 1oqk n GLU 84 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 1oqk n ARG 85 N -3.79 0.00 0.00 5.31 0.63 -1.26 -5.22 116.66 112.32 1oqk n ARG 85 Ca -0.35 0.00 0.08 0.00 -0.92 0.00 0.00 57.85 56.66 1oqk n ARG 85 Cb 0.75 0.00 0.07 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