#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 -0.96 0.03 2.89 5.04 -1.26 -5.05 115.29 115.97 1oqk s HIS 10 Ca 0.00 1.07 0.00 0.00 -1.54 0.00 0.00 55.06 54.59 1oqk s HIS 10 Cb 0.00 0.35 0.00 0.00 0.04 0.00 0.00 32.58 32.97 1oqk s HIS 10 CO 0.00 -0.52 0.00 -1.91 -2.34 0.00 0.00 174.74 169.97 1oqk n GLU 11 N 5.43 0.00 0.00 2.88 0.00 -1.26 -5.00 120.64 122.69 1oqk n GLU 11 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.11 1oqk n GLU 11 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.97 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 -2.58 0.08 -4.92 4.31 7.94 -1.26 -5.10 117.00 115.48 1oqk n LEU 12 Ca 0.00 -0.08 -0.26 0.00 -1.11 0.00 0.00 56.01 54.55 1oqk n LEU 12 Cb 0.00 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 43.94 1oqk n LEU 12 CO 0.00 0.02 0.28 -0.63 -1.11 0.00 0.00 177.39 175.96 1oqk s ILE 13 N -0.04 5.01 0.00 1.96 1.09 -1.26 -4.22 121.20 123.73 1oqk s ILE 13 Ca 0.00 -0.07 0.00 0.00 -1.10 0.00 0.00 60.65 59.48 1oqk s ILE 13 Cb 0.00 -3.83 0.00 0.00 -1.06 0.00 0.00 42.46 37.57 1oqk s ILE 13 CO 0.00 -0.61 0.00 0.61 -0.10 0.00 0.00 174.94 174.84 1oqk n GLY 14 N -1.74 0.71 3.85 6.18 0.00 -1.26 -5.04 105.19 107.89 1oqk n GLY 14 Ca -0.02 0.00 -0.21 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 3.55 0.32 0.99 1.43 -1.26 -4.80 118.68 118.91 1oqk s LEU 15 Ca 0.00 -0.55 -0.01 0.00 -1.03 0.00 0.00 54.13 52.54 1oqk s LEU 15 Cb 0.00 -2.17 -0.04 0.00 0.03 0.00 0.00 46.19 44.01 1oqk s LEU 15 CO 0.00 -0.41 0.54 -0.44 0.23 0.00 0.00 176.35 176.27 1oqk s SER 16 N -4.02 6.34 -0.01 2.29 0.01 -0.82 -1.41 113.70 116.08 1oqk s SER 16 Ca 0.42 0.52 -0.07 0.00 1.31 0.00 0.00 55.95 58.13 1oqk s SER 16 Cb -0.05 -2.06 0.00 0.00 0.21 0.00 0.00 66.02 64.12 1oqk s SER 16 CO 0.27 -0.25 0.14 -0.69 0.41 0.00 0.00 173.24 173.12 1oqk s VAL 17 N -2.23 0.07 -0.12 3.43 1.01 0.20 -1.10 120.40 121.66 1oqk s VAL 17 Ca 0.41 -0.58 -0.01 0.00 0.00 0.00 0.00 61.98 61.80 1oqk s VAL 17 Cb -0.10 -0.40 0.03 0.00 0.00 0.00 0.00 36.38 35.91 1oqk s VAL 17 CO 0.34 -0.32 -0.05 -0.60 0.00 0.00 0.00 175.10 174.48 1oqk s ARG 18 N -1.14 1.25 -0.26 2.72 3.52 -0.24 -1.45 118.95 123.35 1oqk s ARG 18 Ca -0.12 -0.22 -0.27 0.00 -0.13 0.00 0.00 55.73 54.99 1oqk s ARG 18 Cb -0.07 -1.54 0.01 0.00 -1.56 0.00 0.00 34.95 31.79 1oqk s ARG 18 CO 0.01 -0.32 0.96 0.42 -0.81 0.00 0.00 175.30 175.56 1oqk s ILE 19 N 1.77 4.70 -0.17 4.11 -1.09 0.79 -1.68 121.20 129.63 1oqk s ILE 19 Ca 0.04 1.73 0.13 0.00 -2.23 0.00 0.00 60.65 60.32 1oqk s ILE 19 Cb -0.13 -4.26 -0.24 0.00 -1.58 0.00 0.00 42.46 36.26 1oqk s ILE 19 CO -0.07 -0.22 0.18 0.00 -1.23 0.00 0.00 174.94 173.60 1oqk n ALA 20 N 6.34 1.45 -3.21 9.38 0.00 0.79 -4.10 120.51 131.16 1oqk n ALA 20 Ca 0.09 -1.13 -0.13 0.00 0.00 0.00 0.00 53.44 52.27 1oqk n ALA 20 Cb 0.47 -0.36 -0.10 0.00 0.00 0.00 0.00 19.45 19.47 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 -2.52 0.52 0.12 0.00 1.81 -1.06 -4.77 118.95 113.04 1oqk s ARG 21 Ca -0.13 0.06 -0.01 0.00 -1.72 0.00 0.00 55.73 53.93 1oqk s ARG 21 Cb 0.07 0.23 -0.04 0.00 -0.45 0.00 0.00 34.95 34.76 1oqk s ARG 21 CO 0.79 -0.12 0.03 -1.12 -0.68 0.00 0.00 175.30 174.21 1oqk s SER 22 N -0.68 0.47 0.16 0.23 0.01 -1.26 -2.16 113.70 110.47 1oqk s SER 22 Ca -0.08 -1.16 -0.02 0.00 1.31 0.00 0.00 55.95 56.00 1oqk s SER 22 Cb -0.04 0.25 0.02 0.00 0.21 0.00 0.00 66.02 66.46 1oqk s SER 22 CO 0.02 -0.68 1.40 1.62 0.41 0.00 0.00 173.24 176.02 1oqk h VAL 23 N 2.90 1.38 -3.99 3.43 3.04 -1.78 -3.44 116.25 117.79 1oqk h VAL 23 Ca -0.35 -2.19 -0.69 0.00 -1.01 0.00 0.00 66.70 62.46 1oqk h VAL 23 Cb 1.19 2.16 -0.27 0.00 -2.01 0.00 0.00 31.29 32.36 1oqk h VAL 23 CO 0.61 0.66 -0.82 -1.00 -1.01 0.00 0.00 177.57 176.01 1oqk s HIS 24 N -3.55 2.60 0.49 3.17 3.76 -1.26 -5.01 115.29 115.49 1oqk s HIS 24 Ca -0.06 -0.43 0.24 0.00 -0.15 0.00 0.00 55.06 54.67 1oqk s HIS 24 Cb 0.10 -1.64 1.46 0.00 1.11 0.00 0.00 32.58 33.61 1oqk s HIS 24 CO 0.85 -0.02 2.13 0.07 -0.85 0.00 0.00 174.74 176.92 1oqk h ARG 25 N 5.78 0.00 0.00 1.40 0.11 -1.97 -1.13 114.38 118.56 1oqk h ARG 25 Ca -0.39 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.69 1oqk h ARG 25 Cb 1.16 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.24 1oqk h ARG 25 CO 0.50 0.08 0.00 -0.25 0.10 0.00 0.00 179.97 180.40 1oqk n ASP 26 N -3.95 0.67 -0.25 0.08 8.00 -1.26 -2.22 116.55 117.61 1oqk n ASP 26 Ca -0.02 0.71 0.08 0.00 0.71 0.00 0.00 54.79 56.26 1oqk n ASP 26 Cb 0.17 -0.83 0.12 0.00 -0.02 0.00 0.00 41.12 40.56 1oqk n ASP 26 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 1oqk n ILE 27 N -2.29 1.54 -3.21 0.53 -5.35 -0.44 -5.06 119.36 105.08 1oqk n ILE 27 Ca 0.01 -1.95 -0.33 0.00 -0.27 0.00 0.00 62.75 60.21 1oqk n ILE 27 Cb 0.17 -0.07 -0.06 0.00 -1.74 0.00 0.00 39.64 37.94 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 -2.33 3.98 -1.06 6.28 2.00 -0.94 -4.01 119.66 123.59 1oqk s GLN 28 Ca 0.27 0.59 0.00 0.00 -2.00 0.00 0.00 55.36 54.22 1oqk s GLN 28 Cb 0.24 -2.56 0.00 0.00 0.80 0.00 0.00 33.01 31.50 1oqk s GLN 28 CO 0.01 0.24 0.00 0.41 -0.50 0.00 0.00 175.29 175.44 1oqk n GLY 29 N -0.13 1.12 3.72 2.59 0.00 -1.26 -4.97 105.19 106.26 1oqk n GLY 29 Ca 0.02 -0.36 -0.42 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.26 4.04 -0.05 -0.61 1.01 -1.26 -4.86 121.20 117.22 1oqk s ILE 30 Ca 0.00 1.58 0.01 0.00 0.00 0.00 0.00 60.65 62.23 1oqk s ILE 30 Cb 0.00 -4.01 0.02 0.00 0.01 0.00 0.00 42.46 38.48 1oqk s ILE 30 CO 0.00 0.19 -0.03 -0.55 0.00 0.00 0.00 174.94 174.55 1oqk s SER 31 N 0.55 0.96 0.00 3.58 0.15 -1.26 -0.15 113.70 117.53 1oqk s SER 31 Ca 0.54 -0.11 0.00 0.00 0.70 0.00 0.00 55.95 57.08 1oqk s SER 31 Cb -0.29 -0.41 0.00 0.00 -1.71 0.00 0.00 66.02 63.61 1oqk s SER 31 CO 0.32 -0.08 0.00 0.61 1.20 0.00 0.00 173.24 175.29 1oqk n GLY 32 N 4.22 0.79 4.01 9.45 0.00 -0.53 -5.03 105.19 118.10 1oqk n GLY 32 Ca -0.23 -0.64 -0.18 0.00 0.00 0.00 0.00 46.02 44.97 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 0.44 2.66 0.16 1.61 0.52 -1.25 0.61 118.95 123.70 1oqk s ARG 33 Ca 0.00 -1.27 0.03 0.00 -0.52 0.00 0.00 55.73 53.96 1oqk s ARG 33 Cb 0.00 -2.70 -0.03 0.00 0.52 0.00 0.00 34.95 32.74 1oqk s ARG 33 CO 0.00 -0.47 0.28 0.54 0.02 0.00 0.00 175.30 175.67 1oqk s VAL 34 N -2.48 5.28 0.00 3.52 0.11 0.28 0.50 120.40 127.61 1oqk s VAL 34 Ca 0.57 -0.74 0.00 0.00 -2.93 0.00 0.00 61.98 58.88 1oqk s VAL 34 Cb -0.09 -3.73 0.00 0.00 -1.53 0.00 0.00 36.38 31.03 1oqk s VAL 34 CO 0.35 -0.12 0.00 0.52 -3.33 0.00 0.00 175.10 172.52 1oqk n VAL 35 N -0.62 0.00 -3.50 2.04 0.31 0.29 -1.97 118.33 114.87 1oqk n VAL 35 Ca -0.07 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.15 1oqk n VAL 35 Cb 0.54 -1.18 -0.02 0.00 -0.91 0.00 0.00 33.84 32.28 1oqk n VAL 35 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1oqk s ASP 36 N -4.95 -0.51 -0.13 4.52 -1.08 -0.98 -4.88 116.67 108.67 1oqk s ASP 36 Ca 0.00 -0.12 -0.00 0.00 -0.52 0.00 0.00 52.55 51.91 1oqk s ASP 36 Cb 0.00 0.62 0.03 0.00 -1.46 0.00 0.00 42.92 42.11 1oqk s ASP 36 CO 0.00 -1.04 -0.08 -0.70 0.52 0.00 0.00 175.17 173.87 1oqk s GLU 37 N -3.78 1.61 0.25 4.34 2.12 -1.26 0.62 118.70 122.59 1oqk s GLU 37 Ca 0.03 -0.34 0.10 0.00 0.36 0.00 0.00 54.97 55.12 1oqk s GLU 37 Cb -0.02 -1.72 -0.05 0.00 0.26 0.00 0.00 34.13 32.60 1oqk s GLU 37 CO -0.09 -0.29 -0.18 0.99 -0.54 0.00 0.00 175.26 175.15 1oqk s THR 38 N 1.67 2.15 0.19 -1.70 2.01 0.15 -5.01 115.64 115.10 1oqk s THR 38 Ca 0.04 -2.32 -0.16 0.00 0.31 0.00 0.00 61.69 59.56 1oqk s THR 38 Cb -0.13 -2.18 0.17 0.00 0.01 0.00 0.00 72.50 70.37 1oqk s THR 38 CO -0.08 -0.48 1.63 -0.09 -0.69 0.00 0.00 174.62 174.90 1oqk h ARG 39 N 2.41 -0.06 -0.35 4.92 1.12 -1.95 -2.41 114.38 118.06 1oqk h ARG 39 Ca -0.39 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.48 1oqk h ARG 39 Cb 1.24 0.01 0.00 0.00 -0.01 0.00 0.00 29.97 31.22 1oqk h ARG 39 CO 0.61 -0.04 0.00 0.27 -3.11 0.00 0.00 179.97 177.70 1oqk n ASN 40 N -5.41 4.06 -3.51 -3.80 2.04 -1.26 -4.47 115.26 102.92 1oqk n ASN 40 Ca 0.05 -2.81 -0.13 0.00 -0.44 0.00 0.00 54.58 51.25 1oqk n ASN 40 Cb 0.31 -0.52 -0.04 0.00 -2.53 0.00 0.00 39.78 37.00 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 -2.47 0.02 -0.23 5.53 -4.23 -0.91 -4.52 115.64 108.83 1oqk s THR 41 Ca 0.42 -0.15 -0.03 0.00 -1.18 0.00 0.00 61.69 60.75 1oqk s THR 41 Cb 0.32 -1.01 0.08 0.00 1.34 0.00 0.00 72.50 73.22 1oqk s THR 41 CO 0.12 -0.08 0.08 -0.22 -0.54 0.00 0.00 174.62 173.98 1oqk s LEU 42 N -2.31 1.06 -0.07 4.79 1.98 0.01 0.33 118.68 124.47 1oqk s LEU 42 Ca -0.02 -1.04 -0.30 0.00 -2.89 0.00 0.00 54.13 49.88 1oqk s LEU 42 Cb -0.00 -0.52 -0.02 0.00 0.66 0.00 0.00 46.19 46.31 1oqk s LEU 42 CO -0.06 -0.37 1.06 -0.13 -1.89 0.00 0.00 176.35 174.96 1oqk s ARG 43 N 1.93 4.43 -0.41 1.98 1.81 0.20 -1.32 118.95 127.57 1oqk s ARG 43 Ca 0.04 1.49 -0.06 0.00 -1.72 0.00 0.00 55.73 55.47 1oqk s ARG 43 Cb -0.17 -3.52 0.09 0.00 -0.45 0.00 0.00 34.95 30.90 1oqk s ARG 43 CO -0.18 -0.31 0.22 0.42 -0.68 0.00 0.00 175.30 174.77 1oqk s ILE 44 N 1.86 3.81 0.03 1.52 1.01 0.23 0.10 121.20 129.75 1oqk s ILE 44 Ca 0.51 -1.63 0.08 0.00 0.00 0.00 0.00 60.65 59.62 1oqk s ILE 44 Cb -0.21 -3.41 -0.02 0.00 0.01 0.00 0.00 42.46 38.82 1oqk s ILE 44 CO 0.21 -0.54 -0.25 -0.70 0.00 0.00 0.00 174.94 173.66 1oqk s GLU 45 N 1.32 1.77 -0.11 2.79 2.12 0.18 0.64 118.70 127.41 1oqk s GLU 45 Ca 0.04 -1.00 0.02 0.00 0.36 0.00 0.00 54.97 54.39 1oqk s GLU 45 Cb -0.23 -1.86 -0.00 0.00 0.26 0.00 0.00 34.13 32.29 1oqk s GLU 45 CO -0.00 0.49 -0.20 -1.64 -0.54 0.00 0.00 175.26 173.37 1oqk s MET 46 N -1.03 3.17 0.58 4.30 -1.94 0.16 0.10 119.30 124.65 1oqk s MET 46 Ca 0.10 -0.81 0.36 0.00 -1.71 0.00 0.00 55.69 53.63 1oqk s MET 46 Cb -0.10 -2.43 1.33 0.00 2.01 0.00 0.00 34.83 35.64 1oqk s MET 46 CO 0.01 0.18 1.53 0.22 -0.01 0.00 0.00 175.02 176.95 1oqk h ASP 47 N 6.75 0.00 0.28 3.03 3.58 -1.91 0.89 116.42 129.03 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 0.51 0.00 0.00 -0.90 -2.88 0.00 0.00 179.24 175.97 1oqk n ASP 48 N -3.63 0.00 0.00 2.28 5.75 -1.26 -4.80 116.55 114.89 1oqk n ASP 48 Ca 0.28 0.26 0.00 0.00 -0.01 0.00 0.00 54.79 55.32 1oqk n ASP 48 Cb 1.54 -0.36 0.00 0.00 -1.03 0.00 0.00 41.12 41.26 1oqk n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1oqk n GLY 49 N -0.32 1.06 3.50 6.12 0.00 0.30 -5.09 105.19 110.76 1oqk n GLY 49 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.01 3.75 0.01 1.61 1.81 -0.88 -4.95 118.95 120.30 1oqk s ARG 50 Ca 0.00 -0.44 0.07 0.00 -1.72 0.00 0.00 55.73 53.65 1oqk s ARG 50 Cb 0.00 -3.35 -0.02 0.00 -0.45 0.00 0.00 34.95 31.13 1oqk s ARG 50 CO 0.00 -0.11 -0.22 -1.21 -0.68 0.00 0.00 175.30 173.08 1oqk s GLU 51 N 1.42 1.65 -0.22 3.54 2.02 -1.26 0.40 118.70 126.26 1oqk s GLU 51 Ca 0.06 -0.86 -0.17 0.00 0.02 0.00 0.00 54.97 54.01 1oqk s GLU 51 Cb -0.15 -1.67 0.06 0.00 0.10 0.00 0.00 34.13 32.47 1oqk s GLU 51 CO 0.04 0.45 0.56 -1.50 0.02 0.00 0.00 175.26 174.83 1oqk s ILE 52 N -0.63 -0.00 0.03 -1.63 1.10 0.21 -4.98 121.20 115.30 1oqk s ILE 52 Ca 0.08 0.02 -0.10 0.00 -0.51 0.00 0.00 60.65 60.14 1oqk s ILE 52 Cb -0.09 -0.79 -0.05 0.00 0.15 0.00 0.00 42.46 41.68 1oqk s ILE 52 CO 0.00 0.01 0.36 0.28 -2.11 0.00 0.00 174.94 173.48 1oqk s THR 53 N 0.71 5.14 -0.19 4.00 -1.32 -1.26 0.74 115.64 123.47 1oqk s THR 53 Ca -0.03 0.48 -0.09 0.00 -1.21 0.00 0.00 61.69 60.84 1oqk s THR 53 Cb -0.05 -3.63 0.07 0.00 -1.51 0.00 0.00 72.50 67.39 1oqk s THR 53 CO -0.05 0.39 0.44 -0.69 -2.21 0.00 0.00 174.62 172.50 1oqk s VAL 54 N -1.28 -0.30 0.02 5.08 1.01 -0.43 -4.93 120.40 119.57 1oqk s VAL 54 Ca 0.29 0.12 -0.30 0.00 0.00 0.00 0.00 61.98 62.08 1oqk s VAL 54 Cb -0.14 -0.67 -0.08 0.00 0.00 0.00 0.00 36.38 35.49 1oqk s VAL 54 CO 0.16 0.05 1.75 -2.84 0.00 0.00 0.00 175.10 174.21 1oqk s PRO 55 N 1.95 4.17 0.00 2.72 0.02 -1.26 -0.81 135.00 141.79 1oqk s PRO 55 Ca -0.06 2.38 0.23 0.00 0.02 0.00 0.00 61.00 63.56 1oqk s PRO 55 Cb -0.10 -3.88 0.10 0.00 0.02 0.00 0.00 34.50 30.64 1oqk s PRO 55 CO -0.13 -0.84 1.16 0.36 -0.33 0.00 0.00 177.00 177.22 1oqk n LYS 56 N 6.65 1.82 0.08 5.54 2.85 -1.26 -4.48 118.16 129.37 1oqk n LYS 56 Ca 0.18 -1.51 0.20 0.00 -1.05 0.00 0.00 58.31 56.13 1oqk n LYS 56 Cb 0.41 -1.45 0.63 0.00 -0.65 0.00 0.00 35.03 33.97 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 4.63 0.00 -5.49 2.58 0.00 -1.78 -2.65 103.07 100.35 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 -0.82 1.39 0.00 0.00 0.00 176.54 177.11 1oqk n ILE 58 N -3.36 -0.08 -3.49 2.60 -0.00 -0.32 -4.23 119.36 110.47 1oqk n ILE 58 Ca 0.09 -3.02 -0.17 0.00 -0.00 0.00 0.00 62.75 59.65 1oqk n ILE 58 Cb 0.82 0.63 -0.12 0.00 -0.00 0.00 0.00 39.64 40.96 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 -1.06 -0.41 0.12 -1.39 0.00 -1.00 -2.51 121.76 115.51 1oqk s ALA 59 Ca 0.31 0.41 -0.30 0.00 0.00 0.00 0.00 51.96 52.37 1oqk s ALA 59 Cb 0.32 -1.34 -0.07 0.00 0.00 0.00 0.00 23.12 22.03 1oqk s ALA 59 CO -0.07 -1.17 1.20 0.54 0.00 0.00 0.00 175.76 176.27 1oqk s VAL 60 N 2.36 3.79 -0.08 0.00 0.11 -0.92 0.02 120.40 125.68 1oqk s VAL 60 Ca 0.07 1.39 -0.24 0.00 -2.93 0.00 0.00 61.98 60.27 1oqk s VAL 60 Cb -0.15 -3.89 0.05 0.00 -1.53 0.00 0.00 36.38 30.86 1oqk s VAL 60 CO -0.12 0.17 0.55 0.72 -3.33 0.00 0.00 175.10 173.09 1oqk s PHE 61 N 0.50 -0.52 -0.18 1.54 -0.12 -0.82 -0.15 117.98 118.23 1oqk s PHE 61 Ca 0.56 0.99 -0.03 0.00 -0.05 0.00 0.00 56.93 58.40 1oqk s PHE 61 Cb -0.31 0.28 -0.02 0.00 -0.63 0.00 0.00 43.02 42.34 1oqk s PHE 61 CO 0.33 -0.48 -0.05 -1.01 -0.05 0.00 0.00 175.22 173.96 1oqk s HIS 62 N -0.87 2.97 -0.12 3.49 3.76 -0.68 -1.73 115.29 122.11 1oqk s HIS 62 Ca -0.09 -0.58 -0.03 0.00 -0.15 0.00 0.00 55.06 54.21 1oqk s HIS 62 Cb -0.02 -2.01 -0.03 0.00 1.11 0.00 0.00 32.58 31.63 1oqk s HIS 62 CO 0.06 -0.26 -0.01 -0.59 -0.85 0.00 0.00 174.74 173.09 1oqk s PHE 63 N 0.82 3.10 0.21 1.40 -0.12 -0.44 -1.07 117.98 121.88 1oqk s PHE 63 Ca -0.01 -0.02 0.03 0.00 -0.05 0.00 0.00 56.93 56.87 1oqk s PHE 63 Cb -0.15 -1.88 -0.03 0.00 -0.63 0.00 0.00 43.02 40.33 1oqk s PHE 63 CO 0.02 0.23 0.36 1.03 -0.05 0.00 0.00 175.22 176.80 1oqk s ARG 64 N -0.24 3.46 -0.07 1.99 1.81 -0.26 -1.36 118.95 124.28 1oqk s ARG 64 Ca 0.05 -0.59 0.04 0.00 -1.72 0.00 0.00 55.73 53.51 1oqk s ARG 64 Cb -0.12 -2.89 -0.02 0.00 -0.45 0.00 0.00 34.95 31.47 1oqk s ARG 64 CO 0.02 0.43 -0.17 0.99 -0.68 0.00 0.00 175.30 175.89 1oqk s THR 65 N -1.91 2.79 0.39 0.02 2.01 0.04 -1.95 115.64 117.03 1oqk s THR 65 Ca 0.36 -0.80 0.21 0.00 0.31 0.00 0.00 61.69 61.76 1oqk s THR 65 Cb -0.10 -2.09 0.40 0.00 0.01 0.00 0.00 72.50 70.71 1oqk s THR 65 CO 0.29 0.57 1.68 -0.65 -0.69 0.00 0.00 174.62 175.83 1oqk h PRO 66 N 5.81 0.26 0.00 4.92 0.11 -1.89 1.18 132.00 142.39 1oqk h PRO 66 Ca -0.38 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1oqk h PRO 66 Cb 1.17 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1oqk h PRO 66 CO 0.51 0.17 0.00 1.96 -0.21 0.00 0.00 178.00 180.43 1oqk h GLN 67 N 0.27 0.00 0.00 1.05 7.50 -2.00 -3.45 115.11 118.48 1oqk h GLN 67 Ca 0.72 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.87 1oqk h GLN 67 Cb 1.92 0.00 0.00 0.00 0.05 0.00 0.00 27.48 29.45 1oqk h GLN 67 CO -0.46 0.00 0.00 0.41 -1.50 0.00 0.00 178.83 177.28 1oqk n GLY 68 N -0.76 0.58 3.39 3.46 0.00 0.40 -5.14 105.19 107.11 1oqk n GLY 68 Ca -0.00 -0.01 -0.23 0.00 0.00 0.00 0.00 46.02 45.77 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 0.83 1.42 -0.08 1.61 0.41 -0.96 -4.92 118.70 117.00 1oqk s GLU 69 Ca 0.00 -1.52 0.03 0.00 -0.41 0.00 0.00 54.97 53.07 1oqk s GLU 69 Cb 0.00 -1.55 0.01 0.00 -1.78 0.00 0.00 34.13 30.81 1oqk s GLU 69 CO 0.00 0.31 -0.18 -1.17 -0.49 0.00 0.00 175.26 173.74 1oqk s LEU 70 N -2.86 1.85 0.07 1.80 2.96 -1.26 -0.78 118.68 120.45 1oqk s LEU 70 Ca 0.20 -0.42 0.05 0.00 -0.22 0.00 0.00 54.13 53.74 1oqk s LEU 70 Cb -0.06 -1.10 -0.03 0.00 0.50 0.00 0.00 46.19 45.50 1oqk s LEU 70 CO 0.09 0.09 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.38 1oqk s VAL 71 N 0.55 1.08 -0.08 1.68 1.01 -0.46 -5.01 120.40 119.16 1oqk s VAL 71 Ca -0.16 -1.27 0.03 0.00 0.00 0.00 0.00 61.98 60.58 1oqk s VAL 71 Cb -0.17 -1.04 -0.02 0.00 0.00 0.00 0.00 36.38 35.15 1oqk s VAL 71 CO 0.06 -0.22 -0.16 -0.70 0.00 0.00 0.00 175.10 174.08 1oqk s GLU 72 N -1.69 2.86 -0.26 2.72 2.12 -1.26 -1.33 118.70 121.86 1oqk s GLU 72 Ca -0.02 -0.73 -0.03 0.00 0.36 0.00 0.00 54.97 54.55 1oqk s GLU 72 Cb -0.10 -2.44 0.11 0.00 0.26 0.00 0.00 34.13 31.97 1oqk s GLU 72 CO 0.02 0.42 0.22 0.42 -0.54 0.00 0.00 175.26 175.80 1oqk s ILE 73 N -0.21 -0.27 -0.72 -3.70 -1.09 -0.71 -5.00 121.20 109.52 1oqk s ILE 73 Ca -0.00 -0.46 -0.27 0.00 -2.23 0.00 0.00 60.65 57.69 1oqk s ILE 73 Cb -0.13 -0.89 0.01 0.00 -1.58 0.00 0.00 42.46 39.87 1oqk s ILE 73 CO 0.03 -0.48 1.51 1.51 -1.23 0.00 0.00 174.94 176.28 1oqk s ASP 74 N 2.26 5.84 0.17 3.58 1.47 -1.26 -1.95 116.67 126.79 1oqk s ASP 74 Ca 0.08 -0.25 0.09 0.00 1.18 0.00 0.00 52.55 53.65 1oqk s ASP 74 Cb -0.15 -2.55 0.47 0.00 -0.34 0.00 0.00 42.92 40.35 1oqk s ASP 74 CO -0.28 -2.03 1.17 0.61 0.68 0.00 0.00 175.17 175.32 1oqk n GLY 75 N 5.63 -0.55 0.13 2.12 0.00 0.10 0.47 105.19 113.08 1oqk n GLY 75 Ca 0.12 0.08 -0.04 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.27 0.00 1.61 1.12 -1.74 -0.75 114.38 114.35 1oqk h ARG 76 Ca 0.00 0.02 -0.16 0.00 -1.11 0.00 0.00 59.98 58.73 1oqk h ARG 76 Cb 0.31 0.06 -0.03 0.00 -0.01 0.00 0.00 29.97 30.30 1oqk h ARG 76 CO 0.00 -0.18 -2.11 0.00 -3.11 0.00 0.00 179.97 174.57 1oqk n ALA 77 N -2.38 2.19 0.26 2.80 0.00 -1.08 -4.39 120.51 117.91 1oqk n ALA 77 Ca -0.03 -0.84 0.10 0.00 0.00 0.00 0.00 53.44 52.66 1oqk n ALA 77 Cb 0.11 -0.45 0.70 0.00 0.00 0.00 0.00 19.45 19.82 1oqk n ALA 77 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1oqk h LEU 78 N 0.00 0.00 -8.42 0.00 7.12 -0.22 -3.41 115.31 110.38 1oqk h LEU 78 Ca -0.24 0.00 -0.48 0.00 0.13 0.00 0.00 57.88 57.29 1oqk h LEU 78 Cb 1.51 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 41.62 1oqk h LEU 78 CO 0.01 0.00 1.67 0.55 -0.13 0.00 0.00 178.44 180.54 1oqk n VAL 79 N -4.38 -0.05 -4.17 1.05 3.14 -1.25 -4.91 118.33 107.75 1oqk n VAL 79 Ca -0.03 -0.54 -0.30 0.00 -2.96 0.00 0.00 64.34 60.51 1oqk n VAL 79 Cb 0.10 -2.06 -0.08 0.00 -1.06 0.00 0.00 33.84 30.74 1oqk n VAL 79 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1oqk s ALA 80 N 11.05 3.22 0.78 1.55 0.00 -1.26 -5.08 121.76 132.02 1oqk s ALA 80 Ca 1.10 -1.12 -0.14 0.00 0.00 0.00 0.00 51.96 51.79 1oqk s ALA 80 Cb -0.53 -1.15 0.04 0.00 0.00 0.00 0.00 23.12 21.48 1oqk s ALA 80 CO 0.34 0.68 0.96 2.89 0.00 0.00 0.00 175.76 180.63 1oqk n ARG 81 N 0.70 0.26 -1.44 0.00 0.00 -1.26 -4.65 116.66 110.27 1oqk n ARG 81 Ca -0.12 0.15 -0.39 0.00 -0.00 0.00 0.00 57.85 57.50 1oqk n ARG 81 Cb 0.52 -2.23 0.03 0.00 -0.00 0.00 0.00 32.46 30.78 1oqk n ARG 81 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 1oqk n PRO 82 N -2.32 0.46 0.11 2.89 -0.04 -1.15 -4.84 135.00 130.11 1oqk n PRO 82 Ca 0.12 0.18 0.11 0.00 -0.04 0.00 0.00 63.50 63.87 1oqk n PRO 82 Cb 0.50 -1.60 0.47 0.00 -0.04 0.00 0.00 33.50 32.83 1oqk n PRO 82 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1oqk n GLU 83 N 0.21 0.16 -0.07 0.54 4.71 -1.26 -3.13 120.64 121.80 1oqk n GLU 83 Ca 0.11 0.41 -0.22 0.00 -0.01 0.00 0.00 57.16 57.45 1oqk n GLU 83 Cb 0.47 -1.82 -0.12 0.00 -1.01 0.00 0.00 31.44 28.95 1oqk n GLU 83 CO 0.00 0.00 0.00 -0.85 0.09 0.00 0.00 177.13 176.37 1oqk n GLU 84 N -2.13 0.62 -4.31 3.49 0.28 -1.26 -5.02 120.64 112.30 1oqk n GLU 84 Ca 0.02 0.49 -0.17 0.00 -0.16 0.00 0.00 57.16 57.34 1oqk n GLU 84 Cb 0.21 -1.74 -0.09 0.00 1.43 0.00 0.00 31.44 31.25 1oqk n GLU 84 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 1oqk s ARG 85 N -2.42 1.51 0.00 3.44 1.81 -1.18 -5.26 118.95 116.84 1oqk s ARG 85 Ca -0.27 -1.84 0.05 0.00 -1.72 0.00 0.00 55.73 51.94 1oqk s ARG 85 Cb 0.06 -0.05 0.04 0.00 -0.45 0.00 0.00 34.95 34.54 1oqk s ARG 85 CO 0.64 -0.42 0.65 -0.89 -0.68 0.00 0.00 175.30 174.60