#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oqk h HIS 10 N 0.00 -0.02 -2.09 2.89 3.86 -1.89 -3.46 115.15 114.44 1oqk h HIS 10 Ca 0.00 -0.00 -0.28 0.00 -1.16 0.00 0.00 60.37 58.93 1oqk h HIS 10 Cb 0.00 0.01 0.16 0.00 1.06 0.00 0.00 27.41 28.63 1oqk h HIS 10 CO 0.00 0.76 -0.47 0.39 0.86 0.00 0.00 177.93 179.47 1oqk n GLU 11 N -4.69 -2.32 -1.62 2.45 1.02 -1.22 -3.65 120.64 110.61 1oqk n GLU 11 Ca -0.09 -0.68 -0.45 0.00 -0.02 0.00 0.00 57.16 55.92 1oqk n GLU 11 Cb 0.38 -1.54 -0.02 0.00 -0.02 0.00 0.00 31.44 30.23 1oqk n GLU 11 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1oqk n LEU 12 N -1.63 2.19 -2.44 -4.62 7.94 0.58 -4.10 117.00 114.93 1oqk n LEU 12 Ca 0.05 1.17 -0.20 0.00 -1.11 0.00 0.00 56.01 55.92 1oqk n LEU 12 Cb 0.43 -1.32 -0.09 0.00 0.53 0.00 0.00 43.42 42.97 1oqk n LEU 12 CO 0.31 -1.11 1.19 0.00 -1.11 0.00 0.00 177.39 176.68 1oqk n ILE 13 N 0.78 0.00 0.00 1.96 3.06 -1.26 0.32 119.36 124.22 1oqk n ILE 13 Ca 0.10 -0.07 0.00 0.00 -2.50 0.00 0.00 62.75 60.29 1oqk n ILE 13 Cb 0.31 -0.20 0.00 0.00 0.54 0.00 0.00 39.64 40.28 1oqk n ILE 13 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1oqk n GLY 14 N 3.39 0.28 3.75 4.50 0.00 -1.26 -4.86 105.19 110.98 1oqk n GLY 14 Ca 0.36 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.12 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 2.93 0.27 0.99 2.34 0.94 -4.74 118.68 121.41 1oqk s LEU 15 Ca 0.00 -1.22 0.12 0.00 0.06 0.00 0.00 54.13 53.09 1oqk s LEU 15 Cb 0.00 -1.24 -0.05 0.00 -0.56 0.00 0.00 46.19 44.34 1oqk s LEU 15 CO 0.00 -0.64 -0.17 -0.44 -1.06 0.00 0.00 176.35 174.04 1oqk s SER 16 N -3.92 3.74 0.20 1.48 0.01 0.64 0.22 113.70 116.07 1oqk s SER 16 Ca 0.35 -0.96 0.09 0.00 1.31 0.00 0.00 55.95 56.74 1oqk s SER 16 Cb 0.04 -0.39 -0.04 0.00 0.21 0.00 0.00 66.02 65.83 1oqk s SER 16 CO 0.19 0.04 -0.17 -0.69 0.41 0.00 0.00 173.24 173.01 1oqk s VAL 17 N -2.44 1.93 -0.29 3.43 1.01 0.47 0.02 120.40 124.53 1oqk s VAL 17 Ca 0.30 -2.11 -0.02 0.00 0.00 0.00 0.00 61.98 60.14 1oqk s VAL 17 Cb -0.05 -2.01 0.12 0.00 0.00 0.00 0.00 36.38 34.44 1oqk s VAL 17 CO 0.16 -0.42 0.20 -0.13 0.00 0.00 0.00 175.10 174.91 1oqk s ARG 18 N -3.21 0.25 0.33 2.72 0.52 0.10 -0.54 118.95 119.11 1oqk s ARG 18 Ca 0.21 -0.34 -0.28 0.00 -0.52 0.00 0.00 55.73 54.80 1oqk s ARG 18 Cb -0.04 -0.95 -0.09 0.00 0.52 0.00 0.00 34.95 34.39 1oqk s ARG 18 CO 0.08 -1.01 1.18 0.42 0.02 0.00 0.00 175.30 175.99 1oqk s ILE 19 N 2.22 3.17 -0.07 1.52 1.09 -1.25 -0.86 121.20 127.02 1oqk s ILE 19 Ca 0.09 1.11 0.02 0.00 -1.10 0.00 0.00 60.65 60.77 1oqk s ILE 19 Cb -0.15 -3.68 -0.06 0.00 -1.06 0.00 0.00 42.46 37.51 1oqk s ILE 19 CO -0.34 0.21 -0.03 0.00 -0.10 0.00 0.00 174.94 174.67 1oqk n ALA 20 N 0.71 1.84 -3.58 9.38 0.00 -0.35 -4.50 120.51 124.00 1oqk n ALA 20 Ca 0.01 -0.34 -0.11 0.00 0.00 0.00 0.00 53.44 53.00 1oqk n ALA 20 Cb 0.45 0.25 -0.09 0.00 0.00 0.00 0.00 19.45 20.06 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 -2.15 0.60 0.12 0.00 0.52 -1.03 -4.57 118.95 112.45 1oqk s ARG 21 Ca -0.07 0.91 -0.01 0.00 -0.52 0.00 0.00 55.73 56.05 1oqk s ARG 21 Cb 0.02 0.17 -0.04 0.00 0.52 0.00 0.00 34.95 35.62 1oqk s ARG 21 CO 0.20 -0.12 0.03 -1.12 0.02 0.00 0.00 175.30 174.30 1oqk s SER 22 N 1.00 0.50 -0.00 0.23 0.01 -1.26 0.68 113.70 114.86 1oqk s SER 22 Ca -0.06 -1.16 -0.20 0.00 1.31 0.00 0.00 55.95 55.85 1oqk s SER 22 Cb -0.06 0.24 -0.27 0.00 0.21 0.00 0.00 66.02 66.15 1oqk s SER 22 CO -0.09 -0.67 1.04 1.62 0.41 0.00 0.00 173.24 175.55 1oqk h VAL 23 N 2.90 1.43 -3.31 3.43 3.04 -1.76 -3.45 116.25 118.53 1oqk h VAL 23 Ca -0.35 -2.27 -0.56 0.00 -1.01 0.00 0.00 66.70 62.51 1oqk h VAL 23 Cb 1.19 2.78 -0.05 0.00 -2.01 0.00 0.00 31.29 33.20 1oqk h VAL 23 CO 0.61 0.66 0.01 -2.28 -1.01 0.00 0.00 177.57 175.56 1oqk s HIS 24 N -2.95 3.75 0.16 3.17 5.65 -1.26 -4.99 115.29 118.81 1oqk s HIS 24 Ca -0.13 1.29 -0.12 0.00 0.25 0.00 0.00 55.06 56.35 1oqk s HIS 24 Cb 0.03 -2.60 0.03 0.00 -1.18 0.00 0.00 32.58 28.86 1oqk s HIS 24 CO 0.84 0.44 1.61 0.07 -0.65 0.00 0.00 174.74 177.06 1oqk h ARG 25 N 5.14 0.91 0.00 2.88 0.11 -1.94 0.32 114.38 121.80 1oqk h ARG 25 Ca -0.47 -0.29 0.00 0.00 0.10 0.00 0.00 59.98 59.32 1oqk h ARG 25 Cb 1.21 -0.08 0.00 0.00 1.11 0.00 0.00 29.97 32.20 1oqk h ARG 25 CO 0.67 0.94 0.11 -0.44 0.10 0.00 0.00 179.97 181.34 1oqk h ASP 26 N 0.78 0.00 0.00 0.08 5.19 -1.99 -1.93 116.42 118.55 1oqk h ASP 26 Ca 0.15 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.52 1oqk h ASP 26 Cb 0.52 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.02 1oqk h ASP 26 CO 0.03 0.00 -1.50 2.30 -3.12 0.00 0.00 179.24 176.95 1oqk n ILE 27 N -3.00 0.15 -1.66 0.35 -5.35 -1.08 -4.90 119.36 103.88 1oqk n ILE 27 Ca -0.03 -0.27 -0.46 0.00 -0.27 0.00 0.00 62.75 61.73 1oqk n ILE 27 Cb 0.17 0.03 -0.03 0.00 -1.74 0.00 0.00 39.64 38.07 1oqk n ILE 27 CO 0.00 0.00 0.00 1.67 -1.76 0.00 0.00 176.55 176.46 1oqk n GLN 28 N -1.96 1.90 -1.21 6.28 -0.06 0.08 -0.98 117.38 121.42 1oqk n GLN 28 Ca -0.05 0.68 -0.07 0.00 -2.00 0.00 0.00 57.00 55.55 1oqk n GLN 28 Cb 0.39 -2.32 -0.03 0.00 -4.06 0.00 0.00 30.24 24.22 1oqk n GLN 28 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1oqk n GLY 29 N 2.22 0.76 3.43 1.69 0.00 -1.26 -4.95 105.19 107.08 1oqk n GLY 29 Ca 0.13 -0.06 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.75 4.58 0.49 -0.61 -1.09 -0.15 -4.92 121.20 117.74 1oqk s ILE 30 Ca 0.00 -0.44 -0.00 0.00 -2.23 0.00 0.00 60.65 57.97 1oqk s ILE 30 Cb 0.00 -3.34 0.01 0.00 -1.58 0.00 0.00 42.46 37.55 1oqk s ILE 30 CO 0.00 0.06 0.73 -0.44 -1.23 0.00 0.00 174.94 174.06 1oqk s SER 31 N 1.61 5.66 0.00 3.58 0.01 -1.26 -3.78 113.70 119.52 1oqk s SER 31 Ca 0.04 0.28 0.00 0.00 1.31 0.00 0.00 55.95 57.58 1oqk s SER 31 Cb -0.17 -1.40 0.00 0.00 0.21 0.00 0.00 66.02 64.66 1oqk s SER 31 CO 0.06 -0.86 0.00 0.61 0.41 0.00 0.00 173.24 173.46 1oqk n GLY 32 N -2.21 -1.25 3.94 3.44 0.00 0.29 -4.90 105.19 104.50 1oqk n GLY 32 Ca 0.03 -1.13 -0.19 0.00 0.00 0.00 0.00 46.02 44.73 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 -1.61 2.69 0.19 1.61 3.00 -1.26 0.18 118.95 123.75 1oqk s ARG 33 Ca 0.00 -1.38 0.04 0.00 0.00 0.00 0.00 55.73 54.39 1oqk s ARG 33 Cb 0.00 -2.57 -0.03 0.00 0.00 0.00 0.00 34.95 32.35 1oqk s ARG 33 CO 0.00 -0.22 0.28 0.08 0.00 0.00 0.00 175.30 175.44 1oqk s VAL 34 N -2.40 5.11 -0.07 3.52 1.01 0.15 0.52 120.40 128.25 1oqk s VAL 34 Ca 0.51 -0.89 -0.02 0.00 0.00 0.00 0.00 61.98 61.58 1oqk s VAL 34 Cb -0.07 -3.68 -0.03 0.00 0.00 0.00 0.00 36.38 32.60 1oqk s VAL 34 CO 0.30 -0.18 -0.08 0.55 0.00 0.00 0.00 175.10 175.69 1oqk n VAL 35 N -0.81 0.37 -3.56 2.92 3.14 0.35 -2.28 118.33 118.46 1oqk n VAL 35 Ca -0.08 -0.11 -0.17 0.00 -2.96 0.00 0.00 64.34 61.02 1oqk n VAL 35 Cb 0.55 -1.29 -0.06 0.00 -1.06 0.00 0.00 33.84 31.98 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 -5.27 -0.65 -0.16 6.55 1.47 -0.98 -4.78 116.67 112.86 1oqk s ASP 36 Ca -0.09 0.83 0.00 0.00 1.18 0.00 0.00 52.55 54.46 1oqk s ASP 36 Cb 0.03 0.71 -0.00 0.00 -0.34 0.00 0.00 42.92 43.32 1oqk s ASP 36 CO 0.13 -0.53 -0.15 -0.70 0.68 0.00 0.00 175.17 174.60 1oqk s GLU 37 N -0.89 3.22 0.14 2.11 -6.30 -1.26 -1.93 118.70 113.79 1oqk s GLU 37 Ca -0.09 -0.74 0.09 0.00 -2.50 0.00 0.00 54.97 51.73 1oqk s GLU 37 Cb -0.01 -2.64 -0.04 0.00 0.00 0.00 0.00 34.13 31.44 1oqk s GLU 37 CO 0.08 0.01 -0.22 0.99 0.02 0.00 0.00 175.26 176.14 1oqk s THR 38 N 0.83 1.98 -1.07 -1.70 2.01 0.25 -5.01 115.64 112.92 1oqk s THR 38 Ca -0.05 -1.75 0.01 0.00 0.31 0.00 0.00 61.69 60.21 1oqk s THR 38 Cb -0.15 -1.82 0.01 0.00 0.01 0.00 0.00 72.50 70.55 1oqk s THR 38 CO -0.00 -0.08 0.99 0.54 -0.69 0.00 0.00 174.62 175.38 1oqk n ARG 39 N 0.75 0.00 0.00 4.92 1.74 -1.26 -1.94 116.66 120.87 1oqk n ARG 39 Ca -0.17 0.45 0.00 0.00 -0.77 0.00 0.00 57.85 57.36 1oqk n ARG 39 Cb 0.54 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.48 1oqk n ARG 39 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1oqk n ASN 40 N -1.46 0.46 -3.59 0.55 2.04 -1.26 -4.44 115.26 107.55 1oqk n ASN 40 Ca 0.00 -0.80 -0.10 0.00 -0.44 0.00 0.00 54.58 53.24 1oqk n ASN 40 Cb 0.01 0.20 -0.02 0.00 -2.53 0.00 0.00 39.78 37.43 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 -0.20 0.01 -0.23 5.53 -1.32 -0.82 -3.99 115.64 114.62 1oqk s THR 41 Ca 0.00 -0.40 -0.04 0.00 -1.21 0.00 0.00 61.69 60.04 1oqk s THR 41 Cb 0.00 -1.35 0.08 0.00 -1.51 0.00 0.00 72.50 69.72 1oqk s THR 41 CO 0.00 -0.04 0.09 -0.22 -2.21 0.00 0.00 174.62 172.24 1oqk s LEU 42 N -2.81 0.87 -0.22 9.08 1.98 -0.39 -0.58 118.68 126.60 1oqk s LEU 42 Ca 0.05 -1.00 -0.14 0.00 -2.89 0.00 0.00 54.13 50.15 1oqk s LEU 42 Cb -0.02 -0.45 -0.04 0.00 0.66 0.00 0.00 46.19 46.34 1oqk s LEU 42 CO -0.06 -0.37 0.32 -0.60 -1.89 0.00 0.00 176.35 173.74 1oqk s ARG 43 N 1.99 4.13 -0.27 1.98 3.52 -0.81 0.01 118.95 129.49 1oqk s ARG 43 Ca 0.04 0.04 -0.18 0.00 -0.13 0.00 0.00 55.73 55.50 1oqk s ARG 43 Cb -0.16 -3.55 -0.02 0.00 -1.56 0.00 0.00 34.95 29.66 1oqk s ARG 43 CO -0.19 -0.02 0.54 0.42 -0.81 0.00 0.00 175.30 175.24 1oqk s ILE 44 N 1.28 5.04 -0.07 4.11 1.01 0.56 0.13 121.20 133.26 1oqk s ILE 44 Ca 0.15 0.86 0.04 0.00 0.00 0.00 0.00 60.65 61.69 1oqk s ILE 44 Cb -0.14 -3.87 0.00 0.00 0.01 0.00 0.00 42.46 38.46 1oqk s ILE 44 CO 0.07 0.02 -0.17 -0.70 0.00 0.00 0.00 174.94 174.16 1oqk s GLU 45 N 2.38 2.13 0.07 2.79 2.12 0.19 0.77 118.70 129.14 1oqk s GLU 45 Ca 0.22 -0.62 0.10 0.00 0.36 0.00 0.00 54.97 55.02 1oqk s GLU 45 Cb -0.15 -1.72 -0.03 0.00 0.26 0.00 0.00 34.13 32.48 1oqk s GLU 45 CO 0.10 0.15 -0.26 0.00 -0.54 0.00 0.00 175.26 174.71 1oqk s MET 46 N 0.35 1.66 0.60 4.30 0.23 -0.26 -0.67 119.30 125.49 1oqk s MET 46 Ca -0.12 -1.16 0.31 0.00 -1.03 0.00 0.00 55.69 53.70 1oqk s MET 46 Cb -0.15 -1.91 1.17 0.00 -1.53 0.00 0.00 34.83 32.41 1oqk s MET 46 CO 0.05 0.48 1.47 0.22 -2.03 0.00 0.00 175.02 175.21 1oqk h ASP 47 N 4.57 0.00 0.00 -1.18 1.82 -1.89 0.66 116.42 120.40 1oqk h ASP 47 Ca -0.47 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.17 1oqk h ASP 47 Cb 1.15 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.16 1oqk h ASP 47 CO 0.42 0.00 0.00 0.47 -1.61 0.00 0.00 179.24 178.52 1oqk n ASP 48 N -3.47 0.05 -1.11 2.28 8.00 -1.26 -4.75 116.55 116.30 1oqk n ASP 48 Ca 0.24 -1.02 -0.13 0.00 0.71 0.00 0.00 54.79 54.59 1oqk n ASP 48 Cb 1.44 -0.02 -0.04 0.00 -0.02 0.00 0.00 41.12 42.47 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 0.03 1.00 3.39 0.44 0.00 0.23 -4.98 105.19 105.30 1oqk n GLY 49 Ca 0.00 -0.41 -0.39 0.00 0.00 0.00 0.00 46.02 45.22 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 -3.47 3.06 -0.03 1.61 0.52 -0.97 -4.95 118.95 114.71 1oqk s ARG 50 Ca 0.00 -0.91 0.02 0.00 -0.52 0.00 0.00 55.73 54.33 1oqk s ARG 50 Cb 0.00 -3.60 -0.03 0.00 0.52 0.00 0.00 34.95 31.84 1oqk s ARG 50 CO 0.00 -0.55 -0.09 -1.83 0.02 0.00 0.00 175.30 172.86 1oqk s GLU 51 N 1.56 2.60 0.04 3.54 4.04 -1.26 -1.11 118.70 128.12 1oqk s GLU 51 Ca 0.03 -0.66 -0.24 0.00 0.04 0.00 0.00 54.97 54.14 1oqk s GLU 51 Cb -0.18 -2.50 0.06 0.00 0.02 0.00 0.00 34.13 31.53 1oqk s GLU 51 CO 0.06 0.63 0.56 -1.50 -1.84 0.00 0.00 175.26 173.17 1oqk s ILE 52 N -0.87 0.02 0.21 1.83 2.07 0.23 -4.98 121.20 119.72 1oqk s ILE 52 Ca 0.14 -0.16 -0.05 0.00 -1.41 0.00 0.00 60.65 59.16 1oqk s ILE 52 Cb -0.11 -0.98 -0.06 0.00 0.13 0.00 0.00 42.46 41.44 1oqk s ILE 52 CO 0.04 -0.09 0.47 -0.89 -1.91 0.00 0.00 174.94 172.56 1oqk s THR 53 N -2.39 5.07 -0.27 4.00 2.01 -1.26 0.21 115.64 123.01 1oqk s THR 53 Ca -0.05 0.10 -0.00 0.00 0.31 0.00 0.00 61.69 62.04 1oqk s THR 53 Cb -0.01 -3.67 0.15 0.00 0.01 0.00 0.00 72.50 68.99 1oqk s THR 53 CO -0.01 -0.12 0.40 -0.69 -0.69 0.00 0.00 174.62 173.51 1oqk s VAL 54 N -1.85 -0.63 0.32 3.82 1.01 0.10 -4.79 120.40 118.38 1oqk s VAL 54 Ca 0.43 -0.20 -0.27 0.00 0.00 0.00 0.00 61.98 61.94 1oqk s VAL 54 Cb -0.11 -0.92 -0.13 0.00 0.00 0.00 0.00 36.38 35.22 1oqk s VAL 54 CO 0.26 -0.21 0.98 -2.65 0.00 0.00 0.00 175.10 173.48 1oqk n PRO 55 N 5.36 1.30 0.00 2.72 -0.02 -1.26 -1.26 135.00 141.84 1oqk n PRO 55 Ca -0.01 0.46 0.11 0.00 -2.02 0.00 0.00 63.50 62.04 1oqk n PRO 55 Cb 0.50 -1.85 0.05 0.00 -0.02 0.00 0.00 33.50 32.18 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 0.62 1.84 -0.32 -0.52 5.02 -1.26 -4.37 118.16 119.17 1oqk n LYS 56 Ca 0.10 -1.52 0.13 0.00 -2.02 0.00 0.00 58.31 55.00 1oqk n LYS 56 Cb 0.34 -1.46 0.32 0.00 -0.02 0.00 0.00 35.03 34.20 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 4.72 1.64 -5.22 0.72 0.00 -1.79 -3.32 103.07 99.82 1oqk h GLY 57 Ca 0.00 -0.25 -0.29 0.00 0.00 0.00 0.00 47.33 46.79 1oqk h GLY 57 CO 0.00 -0.19 -0.61 1.39 0.00 0.00 0.00 176.54 177.12 1oqk n ILE 58 N -4.93 -0.07 -3.85 2.60 -0.00 -0.89 -4.39 119.36 107.82 1oqk n ILE 58 Ca 0.23 -2.15 -0.29 0.00 -0.00 0.00 0.00 62.75 60.54 1oqk n ILE 58 Cb 0.63 0.99 -0.16 0.00 -0.00 0.00 0.00 39.64 41.10 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 -0.14 1.56 -0.11 -1.39 0.00 -1.00 -2.14 121.76 118.55 1oqk s ALA 59 Ca 0.28 -1.09 -0.20 0.00 0.00 0.00 0.00 51.96 50.94 1oqk s ALA 59 Cb 0.28 -1.33 -0.04 0.00 0.00 0.00 0.00 23.12 22.02 1oqk s ALA 59 CO -0.11 -1.20 0.57 0.54 0.00 0.00 0.00 175.76 175.56 1oqk s VAL 60 N 1.59 5.13 -0.13 0.00 0.11 0.21 0.99 120.40 128.29 1oqk s VAL 60 Ca -0.04 1.14 -0.18 0.00 -2.93 0.00 0.00 61.98 59.98 1oqk s VAL 60 Cb -0.18 -3.90 0.04 0.00 -1.53 0.00 0.00 36.38 30.81 1oqk s VAL 60 CO -0.07 0.28 0.47 0.72 -3.33 0.00 0.00 175.10 173.17 1oqk s PHE 61 N 0.80 -0.48 -0.14 1.54 -0.12 -0.80 -1.21 117.98 117.57 1oqk s PHE 61 Ca 0.30 1.07 -0.06 0.00 -0.05 0.00 0.00 56.93 58.19 1oqk s PHE 61 Cb -0.16 0.19 -0.04 0.00 -0.63 0.00 0.00 43.02 42.38 1oqk s PHE 61 CO 0.13 -0.32 0.08 -1.01 -0.05 0.00 0.00 175.22 174.05 1oqk s HIS 62 N -0.21 3.36 0.22 3.49 3.76 -0.04 -1.45 115.29 124.41 1oqk s HIS 62 Ca -0.04 0.28 -0.01 0.00 -0.15 0.00 0.00 55.06 55.13 1oqk s HIS 62 Cb -0.03 -1.97 -0.04 0.00 1.11 0.00 0.00 32.58 31.64 1oqk s HIS 62 CO 0.02 0.44 0.42 -0.06 -0.85 0.00 0.00 174.74 174.71 1oqk s PHE 63 N -0.40 3.48 0.01 1.40 0.40 0.23 0.01 117.98 123.11 1oqk s PHE 63 Ca 0.10 0.40 0.03 0.00 -0.60 0.00 0.00 56.93 56.86 1oqk s PHE 63 Cb -0.12 -1.90 -0.01 0.00 0.51 0.00 0.00 43.02 41.50 1oqk s PHE 63 CO 0.02 0.34 -0.11 1.03 0.70 0.00 0.00 175.22 177.20 1oqk s ARG 64 N -3.36 0.82 -0.14 0.44 1.81 0.10 -1.20 118.95 117.41 1oqk s ARG 64 Ca 0.39 -0.46 0.02 0.00 -1.72 0.00 0.00 55.73 53.96 1oqk s ARG 64 Cb -0.11 -0.78 0.01 0.00 -0.45 0.00 0.00 34.95 33.62 1oqk s ARG 64 CO 0.29 0.21 -0.20 0.99 -0.68 0.00 0.00 175.30 175.91 1oqk s THR 65 N -0.43 1.95 0.57 0.02 2.01 -0.01 -0.26 115.64 119.48 1oqk s THR 65 Ca 0.02 -0.90 0.34 0.00 0.31 0.00 0.00 61.69 61.47 1oqk s THR 65 Cb -0.05 -1.74 0.50 0.00 0.01 0.00 0.00 72.50 71.22 1oqk s THR 65 CO -0.00 0.53 1.72 -0.65 -0.69 0.00 0.00 174.62 175.53 1oqk h PRO 66 N 7.48 0.00 0.00 4.92 0.11 -1.87 0.72 132.00 143.36 1oqk h PRO 66 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 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 0.56 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.39 1oqk n GLN 67 N -3.87 0.15 0.00 1.05 6.02 -1.26 -4.81 117.38 114.65 1oqk n GLN 67 Ca 0.23 0.52 0.00 0.00 -0.01 0.00 0.00 57.00 57.74 1oqk n GLN 67 Cb 1.22 -1.88 0.00 0.00 1.02 0.00 0.00 30.24 30.61 1oqk n GLN 67 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1oqk n GLY 68 N -0.72 1.22 3.32 1.08 0.00 0.25 -5.13 105.19 105.22 1oqk n GLY 68 Ca 0.00 0.00 -0.26 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 -0.19 1.25 -0.10 1.61 0.41 -0.94 -4.99 118.70 115.75 1oqk s GLU 69 Ca 0.00 -1.21 0.01 0.00 -0.41 0.00 0.00 54.97 53.36 1oqk s GLU 69 Cb 0.00 -1.59 0.02 0.00 -1.78 0.00 0.00 34.13 30.78 1oqk s GLU 69 CO 0.00 0.38 -0.14 -1.17 -0.49 0.00 0.00 175.26 173.84 1oqk s LEU 70 N -1.90 1.64 0.23 1.80 0.20 -1.26 -0.83 118.68 118.56 1oqk s LEU 70 Ca 0.09 -0.39 0.10 0.00 0.69 0.00 0.00 54.13 54.62 1oqk s LEU 70 Cb -0.10 -1.02 -0.05 0.00 -0.43 0.00 0.00 46.19 44.59 1oqk s LEU 70 CO 0.05 -0.00 -0.18 -0.69 -0.29 0.00 0.00 176.35 175.23 1oqk s VAL 71 N 1.05 2.14 0.09 1.68 1.01 -0.34 -4.99 120.40 121.04 1oqk s VAL 71 Ca -0.06 -2.25 0.08 0.00 0.00 0.00 0.00 61.98 59.75 1oqk s VAL 71 Cb -0.15 -2.14 -0.03 0.00 0.00 0.00 0.00 36.38 34.06 1oqk s VAL 71 CO -0.02 -0.43 -0.20 -1.83 0.00 0.00 0.00 175.10 172.62 1oqk s GLU 72 N -3.40 1.10 -0.27 2.72 4.04 -1.26 0.77 118.70 122.39 1oqk s GLU 72 Ca 0.25 -1.11 -0.02 0.00 0.04 0.00 0.00 54.97 54.13 1oqk s GLU 72 Cb -0.04 -1.31 0.12 0.00 0.02 0.00 0.00 34.13 32.92 1oqk s GLU 72 CO 0.11 0.31 0.27 0.42 -1.84 0.00 0.00 175.26 174.53 1oqk s ILE 73 N -1.15 -0.37 -0.75 1.83 -1.09 -0.53 -4.90 121.20 114.24 1oqk s ILE 73 Ca 0.05 -0.40 -0.27 0.00 -2.23 0.00 0.00 60.65 57.81 1oqk s ILE 73 Cb -0.10 -0.91 0.03 0.00 -1.58 0.00 0.00 42.46 39.90 1oqk s ILE 73 CO 0.04 -0.41 1.32 -1.81 -1.23 0.00 0.00 174.94 172.85 1oqk s ASP 74 N 2.35 6.14 0.14 3.58 1.11 -1.26 -1.91 116.67 126.81 1oqk s ASP 74 Ca 0.09 -0.47 0.14 0.00 0.18 0.00 0.00 52.55 52.49 1oqk s ASP 74 Cb -0.15 -2.56 0.67 0.00 1.07 0.00 0.00 42.92 41.95 1oqk s ASP 74 CO -0.27 -1.85 1.44 0.61 1.18 0.00 0.00 175.17 176.28 1oqk n GLY 75 N 5.48 -0.90 0.13 0.21 0.00 0.28 0.13 105.19 110.53 1oqk n GLY 75 Ca 0.06 0.05 -0.27 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.85 0.60 -0.00 1.61 1.85 -1.26 -2.11 116.66 115.50 1oqk n ARG 76 Ca 0.01 0.28 0.09 0.00 -1.00 0.00 0.00 57.85 57.23 1oqk n ARG 76 Cb 0.11 -1.53 -0.13 0.00 -1.05 0.00 0.00 32.46 29.86 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 -3.94 3.89 -0.10 2.89 0.00 -1.18 -4.56 120.51 117.51 1oqk n ALA 77 Ca -0.50 -0.52 -0.15 0.00 0.00 0.00 0.00 53.44 52.27 1oqk n ALA 77 Cb 0.89 -0.70 -0.14 0.00 0.00 0.00 0.00 19.45 19.51 1oqk n ALA 77 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1oqk n LEU 78 N -1.72 1.65 -4.53 0.00 -0.00 0.35 -4.88 117.00 107.88 1oqk n LEU 78 Ca 0.01 -0.03 -0.39 0.00 -0.00 0.00 0.00 56.01 55.60 1oqk n LEU 78 Cb 0.38 -0.30 -0.08 0.00 -0.00 0.00 0.00 43.42 43.42 1oqk n LEU 78 CO 0.40 0.73 2.09 0.55 -0.00 0.00 0.00 177.39 181.16 1oqk n VAL 79 N -3.06 -0.04 -3.76 1.96 3.14 -0.97 -4.89 118.33 110.71 1oqk n VAL 79 Ca -0.38 -0.48 -0.38 0.00 -2.96 0.00 0.00 64.34 60.14 1oqk n VAL 79 Cb 1.07 -1.91 -0.12 0.00 -1.06 0.00 0.00 33.84 31.81 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 10.81 3.04 -0.44 1.55 0.00 -1.26 -4.99 121.76 130.47 1oqk s ALA 80 Ca 1.13 -1.70 -0.24 0.00 0.00 0.00 0.00 51.96 51.15 1oqk s ALA 80 Cb -0.61 -2.24 0.02 0.00 0.00 0.00 0.00 23.12 20.30 1oqk s ALA 80 CO 0.36 -1.28 0.81 1.03 0.00 0.00 0.00 175.76 176.68 1oqk s ARG 81 N 1.41 3.47 0.11 0.00 0.52 -1.26 -4.91 118.95 118.29 1oqk s ARG 81 Ca -0.01 -0.01 0.21 0.00 -0.52 0.00 0.00 55.73 55.40 1oqk s ARG 81 Cb -0.19 -3.92 0.87 0.00 0.52 0.00 0.00 34.95 32.22 1oqk s ARG 81 CO 0.03 -1.11 1.67 -0.35 0.02 0.00 0.00 175.30 175.55 1oqk n PRO 82 N 6.78 0.10 0.09 3.54 -0.04 -1.26 -1.79 135.00 142.41 1oqk n PRO 82 Ca 0.03 0.26 -0.02 0.00 -0.04 0.00 0.00 63.50 63.73 1oqk n PRO 82 Cb 0.48 -1.66 -0.05 0.00 -0.04 0.00 0.00 33.50 32.23 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 0.00 0.00 -0.01 0.54 4.39 -1.99 -3.30 114.58 114.21 1oqk h GLU 83 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1oqk h GLU 83 Cb 0.40 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 1oqk h GLU 83 CO 0.00 0.68 -0.33 0.39 -1.16 0.00 0.00 179.01 178.58 1oqk n GLU 84 N -3.23 1.84 -1.54 2.33 1.02 -1.12 -5.10 120.64 114.84 1oqk n GLU 84 Ca -0.01 -0.69 0.00 0.00 -0.02 0.00 0.00 57.16 56.44 1oqk n GLU 84 Cb 0.84 -1.22 0.00 0.00 -0.02 0.00 0.00 31.44 31.04 1oqk n GLU 84 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1oqk n ARG 85 N -0.26 -4.33 0.00 3.49 1.74 -0.74 -5.07 116.66 111.48 1oqk n ARG 85 Ca 0.06 3.15 0.15 0.00 -0.77 0.00 0.00 57.85 60.44 1oqk n ARG 85 Cb 0.30 -3.48 0.90 0.00 -1.02 0.00 0.00 32.46 29.15 1oqk n ARG 85 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22