#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 2.54 0.00 -0.14 3.76 -1.26 -4.98 115.29 115.21 1oqk s HIS 10 Ca 0.00 0.03 0.00 0.00 -0.15 0.00 0.00 55.06 54.94 1oqk s HIS 10 Cb 0.00 -2.94 0.00 0.00 1.11 0.00 0.00 32.58 30.75 1oqk s HIS 10 CO 0.00 -1.24 0.00 -1.91 -0.85 0.00 0.00 174.74 170.74 1oqk n GLU 11 N -2.62 0.00 -0.23 1.40 2.13 -1.26 -4.96 120.64 115.10 1oqk n GLU 11 Ca 0.10 0.00 0.09 0.00 0.66 0.00 0.00 57.16 58.00 1oqk n GLU 11 Cb 0.60 0.00 0.17 0.00 0.27 0.00 0.00 31.44 32.48 1oqk n GLU 11 CO 0.00 0.00 0.00 1.47 -0.41 0.00 0.00 177.13 178.19 1oqk n LEU 12 N -0.64 2.64 -4.91 4.31 -0.00 -1.26 -5.04 117.00 112.10 1oqk n LEU 12 Ca 0.00 -3.25 -0.28 0.00 -0.00 0.00 0.00 56.01 52.48 1oqk n LEU 12 Cb 0.00 -0.47 -0.02 0.00 -0.00 0.00 0.00 43.42 42.93 1oqk n LEU 12 CO 0.00 0.85 0.27 -0.63 -0.00 0.00 0.00 177.39 177.88 1oqk s ILE 13 N -2.95 4.99 0.00 1.47 1.01 -1.26 -4.24 121.20 120.21 1oqk s ILE 13 Ca 0.35 0.06 0.00 0.00 0.00 0.00 0.00 60.65 61.05 1oqk s ILE 13 Cb 0.31 -3.78 0.00 0.00 0.01 0.00 0.00 42.46 39.00 1oqk s ILE 13 CO 0.02 -0.47 0.00 0.61 0.00 0.00 0.00 174.94 175.09 1oqk n GLY 14 N -1.35 3.13 3.91 6.18 0.00 -1.26 -5.05 105.19 110.75 1oqk n GLY 14 Ca -0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.73 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 3.02 0.33 0.99 0.05 -1.26 -4.82 118.68 116.98 1oqk s LEU 15 Ca 0.00 0.77 -0.02 0.00 0.05 0.00 0.00 54.13 54.94 1oqk s LEU 15 Cb 0.00 -3.53 -0.04 0.00 -2.05 0.00 0.00 46.19 40.57 1oqk s LEU 15 CO 0.00 -1.30 0.56 -0.55 -0.55 0.00 0.00 176.35 174.51 1oqk s SER 16 N -4.38 6.34 0.23 1.48 0.15 0.35 -3.00 113.70 114.88 1oqk s SER 16 Ca 0.57 0.56 0.10 0.00 0.70 0.00 0.00 55.95 57.88 1oqk s SER 16 Cb -0.11 -2.08 -0.05 0.00 -1.71 0.00 0.00 66.02 62.08 1oqk s SER 16 CO 0.47 -0.27 -0.18 -0.69 1.20 0.00 0.00 173.24 173.77 1oqk s VAL 17 N -2.25 2.15 -0.12 4.45 1.01 0.88 -0.00 120.40 126.52 1oqk s VAL 17 Ca 0.42 -2.26 -0.04 0.00 0.00 0.00 0.00 61.98 60.10 1oqk s VAL 17 Cb -0.10 -2.15 0.06 0.00 0.00 0.00 0.00 36.38 34.19 1oqk s VAL 17 CO 0.34 -0.43 0.21 -0.60 0.00 0.00 0.00 175.10 174.62 1oqk s ARG 18 N -3.40 0.10 0.05 2.72 3.00 -0.11 -1.49 118.95 119.82 1oqk s ARG 18 Ca 0.25 0.58 -0.22 0.00 -1.00 0.00 0.00 55.73 55.34 1oqk s ARG 18 Cb -0.04 -0.32 -0.06 0.00 0.00 0.00 0.00 34.95 34.53 1oqk s ARG 18 CO 0.11 -0.35 0.67 0.42 0.00 0.00 0.00 175.30 176.15 1oqk s ILE 19 N 2.35 4.74 -0.06 4.11 -1.09 -1.15 -0.95 121.20 129.14 1oqk s ILE 19 Ca 0.03 1.42 0.05 0.00 -2.23 0.00 0.00 60.65 59.92 1oqk s ILE 19 Cb -0.13 -4.01 -0.07 0.00 -1.58 0.00 0.00 42.46 36.67 1oqk s ILE 19 CO -0.08 0.45 0.01 0.00 -1.23 0.00 0.00 174.94 174.09 1oqk n ALA 20 N 2.36 1.85 -3.63 9.38 0.00 -0.99 -3.37 120.51 126.10 1oqk n ALA 20 Ca -0.06 -0.40 -0.09 0.00 0.00 0.00 0.00 53.44 52.88 1oqk n ALA 20 Cb 0.50 0.14 -0.08 0.00 0.00 0.00 0.00 19.45 20.01 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 0.65 0.12 0.00 0.52 -1.16 -4.39 118.95 112.54 1oqk s ARG 21 Ca -0.04 1.06 -0.00 0.00 -0.52 0.00 0.00 55.73 56.22 1oqk s ARG 21 Cb 0.02 0.15 -0.04 0.00 0.52 0.00 0.00 34.95 35.60 1oqk s ARG 21 CO 0.25 -0.14 0.03 -1.12 0.02 0.00 0.00 175.30 174.34 1oqk s SER 22 N 1.30 0.54 0.44 0.23 0.01 -1.26 -0.52 113.70 114.43 1oqk s SER 22 Ca -0.08 -1.16 0.11 0.00 1.31 0.00 0.00 55.95 56.14 1oqk s SER 22 Cb -0.06 0.24 0.96 0.00 0.21 0.00 0.00 66.02 67.37 1oqk s SER 22 CO -0.14 -0.67 2.02 1.62 0.41 0.00 0.00 173.24 176.48 1oqk h VAL 23 N 2.89 1.11 -4.25 3.43 3.04 -1.75 -3.42 116.25 117.30 1oqk h VAL 23 Ca -0.35 -0.42 -0.69 0.00 -1.01 0.00 0.00 66.70 64.23 1oqk h VAL 23 Cb 1.19 1.02 -0.31 0.00 -2.01 0.00 0.00 31.29 31.18 1oqk h VAL 23 CO 0.61 0.14 -0.88 -1.00 -1.01 0.00 0.00 177.57 175.43 1oqk s HIS 24 N -4.97 2.35 -0.23 3.17 3.76 -1.26 -5.01 115.29 113.10 1oqk s HIS 24 Ca -0.06 -0.60 0.26 0.00 -0.15 0.00 0.00 55.06 54.52 1oqk s HIS 24 Cb 0.16 -1.53 1.21 0.00 1.11 0.00 0.00 32.58 33.53 1oqk s HIS 24 CO 0.71 -0.14 1.79 0.00 -0.85 0.00 0.00 174.74 176.24 1oqk h ARG 25 N 5.84 0.00 0.00 1.40 3.08 -1.93 -2.42 114.38 120.35 1oqk h ARG 25 Ca -0.36 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.69 1oqk h ARG 25 Cb 1.15 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.20 1oqk h ARG 25 CO 0.47 0.00 0.00 -0.40 -1.07 0.00 0.00 179.97 178.97 1oqk n ASP 26 N -2.43 0.64 -0.09 7.04 5.68 -1.26 -2.67 116.55 123.47 1oqk n ASP 26 Ca 0.00 0.70 0.01 0.00 -0.50 0.00 0.00 54.79 55.00 1oqk n ASP 26 Cb 0.17 -0.82 0.01 0.00 -1.14 0.00 0.00 41.12 39.33 1oqk n ASP 26 CO 0.00 0.00 0.00 2.30 -1.33 0.00 0.00 177.20 178.17 1oqk n ILE 27 N -2.26 0.28 -3.01 2.12 -0.00 -0.93 -5.00 119.36 110.56 1oqk n ILE 27 Ca 0.01 -0.30 -0.41 0.00 -0.00 0.00 0.00 62.75 62.05 1oqk n ILE 27 Cb 0.16 0.76 -0.05 0.00 -0.00 0.00 0.00 39.64 40.51 1oqk n ILE 27 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.55 174.97 1oqk s GLN 28 N -0.33 4.21 0.00 6.28 0.74 -1.07 -3.74 119.66 125.75 1oqk s GLN 28 Ca 0.02 0.78 0.00 0.00 0.05 0.00 0.00 55.36 56.20 1oqk s GLN 28 Cb 0.01 -3.60 0.00 0.00 1.10 0.00 0.00 33.01 30.52 1oqk s GLN 28 CO 0.00 -0.35 0.00 0.41 -0.55 0.00 0.00 175.29 174.80 1oqk n GLY 29 N 3.77 0.52 3.62 2.59 0.00 -1.22 -4.97 105.19 109.51 1oqk n GLY 29 Ca 0.02 -0.36 -0.38 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.00 5.30 0.15 -0.61 1.09 -1.25 -4.85 121.20 119.05 1oqk s ILE 30 Ca 0.00 0.26 -0.09 0.00 -1.10 0.00 0.00 60.65 59.71 1oqk s ILE 30 Cb 0.00 -3.55 -0.06 0.00 -1.06 0.00 0.00 42.46 37.78 1oqk s ILE 30 CO 0.00 0.27 0.46 -0.55 -0.10 0.00 0.00 174.94 175.03 1oqk s SER 31 N 1.45 6.62 0.00 3.58 0.15 -1.26 -2.93 113.70 121.31 1oqk s SER 31 Ca 0.09 0.82 0.00 0.00 0.70 0.00 0.00 55.95 57.56 1oqk s SER 31 Cb -0.15 -2.19 0.00 0.00 -1.71 0.00 0.00 66.02 61.97 1oqk s SER 31 CO 0.08 0.05 0.00 0.61 1.20 0.00 0.00 173.24 175.18 1oqk n GLY 32 N 0.34 2.96 3.77 9.45 0.00 -0.56 -4.98 105.19 116.16 1oqk n GLY 32 Ca -0.03 -0.84 -0.25 0.00 0.00 0.00 0.00 46.02 44.90 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 0.50 2.24 0.12 1.61 3.52 -1.26 -0.09 118.95 125.60 1oqk s ARG 33 Ca 0.00 -1.88 0.03 0.00 -0.13 0.00 0.00 55.73 53.74 1oqk s ARG 33 Cb 0.00 -1.99 -0.04 0.00 -1.56 0.00 0.00 34.95 31.37 1oqk s ARG 33 CO 0.00 -0.19 0.19 0.54 -0.81 0.00 0.00 175.30 175.03 1oqk s VAL 34 N -2.63 4.98 0.00 7.11 0.11 0.18 -2.04 120.40 128.11 1oqk s VAL 34 Ca 0.38 -0.73 0.00 0.00 -2.93 0.00 0.00 61.98 58.70 1oqk s VAL 34 Cb 0.03 -3.50 0.00 0.00 -1.53 0.00 0.00 36.38 31.38 1oqk s VAL 34 CO 0.21 -0.00 0.00 0.55 -3.33 0.00 0.00 175.10 172.53 1oqk n VAL 35 N -0.12 0.00 -3.68 2.04 3.14 -0.67 -1.53 118.33 117.51 1oqk n VAL 35 Ca -0.07 0.00 -0.09 0.00 -2.96 0.00 0.00 64.34 61.22 1oqk n VAL 35 Cb 0.53 -0.51 -0.02 0.00 -1.06 0.00 0.00 33.84 32.78 1oqk n VAL 35 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1oqk s ASP 36 N -4.73 -0.38 -0.08 6.55 2.15 -0.97 -4.90 116.67 114.31 1oqk s ASP 36 Ca 0.00 -0.36 0.02 0.00 0.43 0.00 0.00 52.55 52.64 1oqk s ASP 36 Cb 0.00 0.67 0.01 0.00 -0.30 0.00 0.00 42.92 43.30 1oqk s ASP 36 CO 0.00 -1.19 -0.15 -0.70 -0.17 0.00 0.00 175.17 172.97 1oqk s GLU 37 N -3.85 2.06 0.10 4.34 2.12 -1.26 -0.64 118.70 121.57 1oqk s GLU 37 Ca 0.07 -0.53 0.10 0.00 0.36 0.00 0.00 54.97 54.97 1oqk s GLU 37 Cb -0.04 -1.68 -0.04 0.00 0.26 0.00 0.00 34.13 32.63 1oqk s GLU 37 CO -0.01 0.03 -0.24 0.99 -0.54 0.00 0.00 175.26 175.49 1oqk s THR 38 N 0.70 2.45 0.64 -1.70 2.01 0.14 -4.97 115.64 114.91 1oqk s THR 38 Ca -0.13 -1.56 0.28 0.00 0.31 0.00 0.00 61.69 60.58 1oqk s THR 38 Cb -0.16 -2.07 0.31 0.00 0.01 0.00 0.00 72.50 70.59 1oqk s THR 38 CO 0.03 0.17 1.86 0.08 -0.69 0.00 0.00 174.62 176.07 1oqk h ARG 39 N 4.08 0.00 0.00 4.92 -0.00 -2.01 -2.32 114.38 119.06 1oqk h ARG 39 Ca -0.50 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.48 1oqk h ARG 39 Cb 1.16 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.13 1oqk h ARG 39 CO 0.43 0.00 -0.17 0.27 -0.00 0.00 0.00 179.97 180.49 1oqk n ASN 40 N -3.10 0.18 -3.56 0.08 2.04 -1.26 -4.21 115.26 105.43 1oqk n ASN 40 Ca 0.01 -1.47 -0.17 0.00 -0.44 0.00 0.00 54.58 52.51 1oqk n ASN 40 Cb 0.50 -0.08 -0.06 0.00 -2.53 0.00 0.00 39.78 37.61 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 -0.14 0.01 -0.19 5.53 -4.23 -0.87 -3.36 115.64 112.39 1oqk s THR 41 Ca 0.01 -0.08 -0.06 0.00 -1.18 0.00 0.00 61.69 60.38 1oqk s THR 41 Cb 0.01 -0.94 -0.03 0.00 1.34 0.00 0.00 72.50 72.88 1oqk s THR 41 CO 0.00 -0.05 0.03 -0.76 -0.54 0.00 0.00 174.62 173.31 1oqk s LEU 42 N -1.23 3.56 -0.18 4.79 1.43 0.13 0.27 118.68 127.44 1oqk s LEU 42 Ca -0.11 -0.04 -0.07 0.00 -1.03 0.00 0.00 54.13 52.87 1oqk s LEU 42 Cb -0.01 -1.90 -0.04 0.00 0.03 0.00 0.00 46.19 44.27 1oqk s LEU 42 CO 0.09 0.13 0.06 -0.60 0.23 0.00 0.00 176.35 176.25 1oqk s ARG 43 N 0.62 3.96 -0.18 1.70 3.52 0.18 -0.23 118.95 128.52 1oqk s ARG 43 Ca 0.01 -0.35 -0.01 0.00 -0.13 0.00 0.00 55.73 55.25 1oqk s ARG 43 Cb -0.13 -3.20 -0.00 0.00 -1.56 0.00 0.00 34.95 30.05 1oqk s ARG 43 CO 0.02 0.27 -0.11 0.42 -0.81 0.00 0.00 175.30 175.08 1oqk s ILE 44 N 0.37 2.91 -0.00 4.11 1.01 0.26 -1.66 121.20 128.20 1oqk s ILE 44 Ca 0.03 -0.67 0.04 0.00 0.00 0.00 0.00 60.65 60.04 1oqk s ILE 44 Cb -0.12 -2.27 -0.01 0.00 0.01 0.00 0.00 42.46 40.07 1oqk s ILE 44 CO 0.00 0.49 -0.12 -0.70 0.00 0.00 0.00 174.94 174.61 1oqk s GLU 45 N 1.05 0.91 -0.16 2.79 2.12 -0.58 0.44 118.70 125.26 1oqk s GLU 45 Ca -0.00 -0.46 -0.03 0.00 0.36 0.00 0.00 54.97 54.84 1oqk s GLU 45 Cb -0.15 -0.88 -0.02 0.00 0.26 0.00 0.00 34.13 33.34 1oqk s GLU 45 CO -0.02 0.24 -0.06 -1.64 -0.54 0.00 0.00 175.26 173.24 1oqk s MET 46 N -0.40 3.55 0.58 4.30 -1.94 -0.51 0.47 119.30 125.36 1oqk s MET 46 Ca 0.04 -0.58 0.33 0.00 -1.71 0.00 0.00 55.69 53.77 1oqk s MET 46 Cb -0.05 -2.87 1.32 0.00 2.01 0.00 0.00 34.83 35.24 1oqk s MET 46 CO -0.00 0.15 1.60 0.22 -0.01 0.00 0.00 175.02 176.98 1oqk h ASP 47 N 6.96 0.00 0.16 3.03 1.82 -1.90 0.92 116.42 127.42 1oqk h ASP 47 Ca -0.31 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.33 1oqk h ASP 47 Cb 1.19 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.20 1oqk h ASP 47 CO 0.60 0.00 0.00 0.47 -1.61 0.00 0.00 179.24 178.70 1oqk n ASP 48 N -3.64 0.21 0.00 2.28 8.00 -1.26 -4.78 116.55 117.36 1oqk n ASP 48 Ca 0.23 0.59 0.00 0.00 0.71 0.00 0.00 54.79 56.31 1oqk n ASP 48 Cb 1.32 -0.62 0.00 0.00 -0.02 0.00 0.00 41.12 41.80 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 -1.04 1.28 3.87 0.44 0.00 0.31 -5.11 105.19 104.94 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 -0.21 2.97 -0.14 1.61 1.81 -0.89 -4.96 118.95 119.15 1oqk s ARG 50 Ca 0.00 -1.07 -0.15 0.00 -1.72 0.00 0.00 55.73 52.79 1oqk s ARG 50 Cb 0.00 -2.62 0.04 0.00 -0.45 0.00 0.00 34.95 31.92 1oqk s ARG 50 CO 0.00 0.30 0.42 -1.21 -0.68 0.00 0.00 175.30 174.12 1oqk s GLU 51 N -3.93 0.53 0.04 3.54 2.02 -1.26 -1.42 118.70 118.22 1oqk s GLU 51 Ca 0.36 0.49 -0.26 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 34.47 1oqk s GLU 51 CO 0.27 -0.08 0.62 -1.50 0.02 0.00 0.00 175.26 174.58 1oqk s ILE 52 N 0.00 0.01 0.18 -1.63 1.10 0.17 -5.00 121.20 116.03 1oqk s ILE 52 Ca -0.02 -0.06 0.09 0.00 -0.51 0.00 0.00 60.65 60.16 1oqk s ILE 52 Cb -0.03 -0.99 -0.04 0.00 0.15 0.00 0.00 42.46 41.54 1oqk s ILE 52 CO 0.01 -0.03 -0.13 -0.89 -2.11 0.00 0.00 174.94 171.79 1oqk s THR 53 N -2.34 2.98 -0.08 4.00 2.01 -1.26 0.91 115.64 121.86 1oqk s THR 53 Ca -0.06 -1.74 -0.06 0.00 0.31 0.00 0.00 61.69 60.14 1oqk s THR 53 Cb -0.01 -2.46 0.03 0.00 0.01 0.00 0.00 72.50 70.07 1oqk s THR 53 CO -0.00 -0.11 0.20 -0.69 -0.69 0.00 0.00 174.62 173.33 1oqk s VAL 54 N -1.68 -0.02 -0.26 3.82 1.01 0.68 -4.93 120.40 119.02 1oqk s VAL 54 Ca 0.24 0.06 -0.29 0.00 0.00 0.00 0.00 61.98 61.99 1oqk s VAL 54 Cb -0.09 -0.30 -0.00 0.00 0.00 0.00 0.00 36.38 35.99 1oqk s VAL 54 CO 0.14 0.02 1.30 -2.84 0.00 0.00 0.00 175.10 173.73 1oqk s PRO 55 N 0.53 3.99 0.00 2.72 0.02 -1.26 0.19 135.00 141.19 1oqk s PRO 55 Ca -0.03 1.38 0.22 0.00 0.02 0.00 0.00 61.00 62.58 1oqk s PRO 55 Cb -0.05 -3.86 0.09 0.00 0.02 0.00 0.00 34.50 30.71 1oqk s PRO 55 CO -0.03 -1.02 1.14 0.36 -0.33 0.00 0.00 177.00 177.13 1oqk n LYS 56 N 7.14 1.76 0.01 5.54 2.85 -1.25 -4.50 118.16 129.70 1oqk n LYS 56 Ca 0.15 -1.44 0.23 0.00 -1.05 0.00 0.00 58.31 56.19 1oqk n LYS 56 Cb 0.46 -1.44 0.65 0.00 -0.65 0.00 0.00 35.03 34.05 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 4.55 0.00 -5.45 2.58 0.00 -1.73 -2.76 103.07 100.26 1oqk h GLY 57 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 46.98 1oqk h GLY 57 CO 0.00 0.00 -0.79 1.39 0.00 0.00 0.00 176.54 177.14 1oqk n ILE 58 N -3.51 -0.06 -3.73 2.60 -0.00 -1.17 -4.57 119.36 108.92 1oqk n ILE 58 Ca 0.12 -2.92 -0.13 0.00 -0.00 0.00 0.00 62.75 59.82 1oqk n ILE 58 Cb 0.90 0.68 -0.10 0.00 -0.00 0.00 0.00 39.64 41.13 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 -1.01 -0.97 -0.04 -1.39 0.00 -1.00 -2.34 121.76 115.01 1oqk s ALA 59 Ca 0.30 0.98 -0.05 0.00 0.00 0.00 0.00 51.96 53.20 1oqk s ALA 59 Cb 0.32 -0.50 -0.04 0.00 0.00 0.00 0.00 23.12 22.91 1oqk s ALA 59 CO -0.06 -0.21 0.19 0.54 0.00 0.00 0.00 175.76 176.22 1oqk s VAL 60 N -0.12 5.43 0.15 0.00 0.11 0.32 0.23 120.40 126.52 1oqk s VAL 60 Ca -0.03 0.01 -0.19 0.00 -2.93 0.00 0.00 61.98 58.84 1oqk s VAL 60 Cb -0.03 -3.51 0.05 0.00 -1.53 0.00 0.00 36.38 31.36 1oqk s VAL 60 CO 0.02 0.42 0.49 0.72 -3.33 0.00 0.00 175.10 173.42 1oqk s PHE 61 N -1.23 -0.31 -0.06 1.54 -0.12 -0.61 -2.36 117.98 114.82 1oqk s PHE 61 Ca 0.24 0.03 0.03 0.00 -0.05 0.00 0.00 56.93 57.17 1oqk s PHE 61 Cb -0.13 0.39 0.01 0.00 -0.63 0.00 0.00 43.02 42.67 1oqk s PHE 61 CO 0.14 -0.79 -0.13 -1.01 -0.05 0.00 0.00 175.22 173.38 1oqk s HIS 62 N -3.79 1.53 -0.23 3.49 3.76 -0.13 0.07 115.29 119.99 1oqk s HIS 62 Ca 0.03 -0.55 -0.17 0.00 -0.15 0.00 0.00 55.06 54.22 1oqk s HIS 62 Cb 0.00 -1.10 -0.03 0.00 1.11 0.00 0.00 32.58 32.56 1oqk s HIS 62 CO -0.11 -0.27 0.47 -0.06 -0.85 0.00 0.00 174.74 173.92 1oqk s PHE 63 N 0.57 3.32 -0.21 1.40 0.40 0.26 -0.93 117.98 122.79 1oqk s PHE 63 Ca -0.14 0.65 -0.01 0.00 -0.60 0.00 0.00 56.93 56.83 1oqk s PHE 63 Cb -0.15 -2.64 0.01 0.00 0.51 0.00 0.00 43.02 40.75 1oqk s PHE 63 CO 0.04 -0.16 -0.11 0.50 0.70 0.00 0.00 175.22 176.19 1oqk s ARG 64 N 1.84 3.08 0.04 0.44 3.00 1.00 0.79 118.95 129.13 1oqk s ARG 64 Ca 0.21 -0.80 -0.21 0.00 -1.00 0.00 0.00 55.73 53.93 1oqk s ARG 64 Cb -0.15 -2.82 -0.06 0.00 0.00 0.00 0.00 34.95 31.92 1oqk s ARG 64 CO 0.09 -0.25 0.62 0.99 0.00 0.00 0.00 175.30 176.75 1oqk s THR 65 N 1.36 4.79 0.53 4.11 2.01 -0.57 -0.50 115.64 127.38 1oqk s THR 65 Ca 0.04 1.32 0.34 0.00 0.31 0.00 0.00 61.69 63.70 1oqk s THR 65 Cb -0.14 -3.96 0.52 0.00 0.01 0.00 0.00 72.50 68.93 1oqk s THR 65 CO -0.08 0.46 1.83 -0.65 -0.69 0.00 0.00 174.62 175.50 1oqk h PRO 66 N 5.22 0.02 0.00 4.92 0.11 -1.89 0.34 132.00 140.73 1oqk h PRO 66 Ca -0.46 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1oqk h PRO 66 Cb 1.21 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1oqk h PRO 66 CO 0.68 0.02 0.00 0.00 -0.21 0.00 0.00 178.00 178.48 1oqk n GLN 67 N -4.24 0.07 0.00 1.05 10.64 -1.26 -4.81 117.38 118.84 1oqk n GLN 67 Ca 0.23 0.47 0.00 0.00 -1.83 0.00 0.00 57.00 55.87 1oqk n GLN 67 Cb 1.12 -1.69 0.00 0.00 -0.86 0.00 0.00 30.24 28.82 1oqk n GLN 67 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1oqk n GLY 68 N -0.85 0.59 3.24 2.61 0.00 0.11 -5.14 105.19 105.76 1oqk n GLY 68 Ca 0.01 -0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.79 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 0.81 1.19 -0.15 1.61 0.41 -0.93 -4.97 118.70 116.67 1oqk s GLU 69 Ca 0.00 -0.97 0.00 0.00 -0.41 0.00 0.00 54.97 53.59 1oqk s GLU 69 Cb 0.00 -1.33 0.02 0.00 -1.78 0.00 0.00 34.13 31.05 1oqk s GLU 69 CO 0.00 0.33 -0.14 -1.17 -0.49 0.00 0.00 175.26 173.78 1oqk s LEU 70 N -1.41 1.70 0.01 1.80 2.96 -1.26 -1.51 118.68 120.97 1oqk s LEU 70 Ca 0.05 -0.50 0.08 0.00 -0.22 0.00 0.00 54.13 53.55 1oqk s LEU 70 Cb -0.09 -1.19 -0.02 0.00 0.50 0.00 0.00 46.19 45.39 1oqk s LEU 70 CO 0.02 -0.06 -0.24 -0.69 -1.32 0.00 0.00 176.35 174.07 1oqk s VAL 71 N 1.48 1.92 -0.09 1.68 1.01 0.24 -4.97 120.40 121.67 1oqk s VAL 71 Ca 0.05 -1.15 0.05 0.00 0.00 0.00 0.00 61.98 60.92 1oqk s VAL 71 Cb -0.13 -1.62 -0.00 0.00 0.00 0.00 0.00 36.38 34.63 1oqk s VAL 71 CO -0.11 0.43 -0.24 -1.83 0.00 0.00 0.00 175.10 173.35 1oqk s GLU 72 N -0.85 2.90 0.03 2.72 1.03 -1.26 0.91 118.70 124.18 1oqk s GLU 72 Ca 0.10 -0.88 0.04 0.00 0.03 0.00 0.00 54.97 54.25 1oqk s GLU 72 Cb -0.09 -2.26 -0.02 0.00 -0.80 0.00 0.00 34.13 30.95 1oqk s GLU 72 CO 0.00 0.24 -0.11 0.42 -1.33 0.00 0.00 175.26 174.49 1oqk s ILE 73 N 0.18 0.83 -0.48 1.83 1.09 0.11 -4.95 121.20 119.81 1oqk s ILE 73 Ca -0.14 -0.83 -0.10 0.00 -1.10 0.00 0.00 60.65 58.48 1oqk s ILE 73 Cb -0.17 -0.77 0.12 0.00 -1.06 0.00 0.00 42.46 40.58 1oqk s ILE 73 CO 0.07 -0.04 0.36 -1.81 -0.10 0.00 0.00 174.94 173.42 1oqk s ASP 74 N -0.98 5.75 0.05 3.58 1.01 -1.26 -1.58 116.67 123.23 1oqk s ASP 74 Ca -0.01 -1.94 0.24 0.00 0.71 0.00 0.00 52.55 51.55 1oqk s ASP 74 Cb -0.07 -2.03 0.22 0.00 1.01 0.00 0.00 42.92 42.06 1oqk s ASP 74 CO 0.01 -0.70 1.19 0.61 0.21 0.00 0.00 175.17 176.49 1oqk n GLY 75 N 4.89 -1.25 0.12 0.21 0.00 0.13 -2.65 105.19 106.64 1oqk n GLY 75 Ca -0.08 -0.37 -0.17 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.84 0.71 0.00 1.61 1.85 0.77 -2.37 116.66 117.39 1oqk n ARG 76 Ca 0.03 0.25 0.11 0.00 -1.00 0.00 0.00 57.85 57.24 1oqk n ARG 76 Cb 0.40 -1.70 0.04 0.00 -1.05 0.00 0.00 32.46 30.15 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 -2.90 2.99 -2.49 2.89 0.00 -1.26 -4.48 120.51 115.26 1oqk n ALA 77 Ca -0.29 -0.65 -0.14 0.00 0.00 0.00 0.00 53.44 52.35 1oqk n ALA 77 Cb 1.05 -0.75 0.03 0.00 0.00 0.00 0.00 19.45 19.77 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 0.60 3.16 -4.55 0.00 4.77 -1.08 -5.04 117.00 114.85 1oqk n LEU 78 Ca 0.11 -4.11 -0.40 0.00 -0.03 0.00 0.00 56.01 51.59 1oqk n LEU 78 Cb 0.50 0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.60 1oqk n LEU 78 CO 0.21 1.70 1.45 0.54 -1.33 0.00 0.00 177.39 179.96 1oqk s VAL 79 N -4.25 3.50 -0.39 4.08 0.11 -1.26 -4.85 120.40 117.34 1oqk s VAL 79 Ca 0.38 0.31 -0.07 0.00 -2.93 0.00 0.00 61.98 59.67 1oqk s VAL 79 Cb 0.39 -4.25 0.07 0.00 -1.53 0.00 0.00 36.38 31.06 1oqk s VAL 79 CO -0.03 -1.19 0.20 0.00 -3.33 0.00 0.00 175.10 170.75 1oqk s ALA 80 N 7.83 3.18 -0.03 1.54 0.00 -1.26 -4.77 121.76 128.25 1oqk s ALA 80 Ca 0.57 -2.09 0.06 0.00 0.00 0.00 0.00 51.96 50.50 1oqk s ALA 80 Cb -0.11 -2.48 -0.02 0.00 0.00 0.00 0.00 23.12 20.51 1oqk s ALA 80 CO 0.20 -1.58 -0.20 1.03 0.00 0.00 0.00 175.76 175.21 1oqk s ARG 81 N 1.36 2.29 0.26 0.00 0.52 -1.26 -4.65 118.95 117.47 1oqk s ARG 81 Ca 0.02 -0.82 0.26 0.00 -0.52 0.00 0.00 55.73 54.67 1oqk s ARG 81 Cb -0.22 -2.20 0.76 0.00 0.52 0.00 0.00 34.95 33.81 1oqk s ARG 81 CO 0.01 0.59 1.75 -1.00 0.02 0.00 0.00 175.30 176.67 1oqk h PRO 82 N 5.40 0.00 0.00 3.54 0.13 -1.93 -1.31 132.00 137.82 1oqk h PRO 82 Ca -0.45 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.55 1oqk h PRO 82 Cb 1.14 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.24 1oqk h PRO 82 CO 0.49 0.00 -1.38 0.39 -0.23 0.00 0.00 178.00 177.27 1oqk n GLU 83 N -2.42 0.62 -0.01 0.86 1.02 -1.26 -4.10 120.64 115.35 1oqk n GLU 83 Ca 0.05 0.18 0.11 0.00 -0.02 0.00 0.00 57.16 57.48 1oqk n GLU 83 Cb 0.43 -1.79 -0.16 0.00 -0.02 0.00 0.00 31.44 29.89 1oqk n GLU 83 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1oqk n GLU 84 N -2.82 0.53 -2.80 3.49 4.07 -1.21 -5.03 120.64 116.87 1oqk n GLU 84 Ca -0.08 -0.16 -0.03 0.00 -0.06 0.00 0.00 57.16 56.83 1oqk n GLU 84 Cb 0.78 -1.52 0.02 0.00 -0.06 0.00 0.00 31.44 30.66 1oqk n GLU 84 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 1oqk n ARG 85 N -2.11 -1.26 0.00 5.31 1.74 -0.50 -5.02 116.66 114.81 1oqk n ARG 85 Ca -0.02 1.14 0.01 0.00 -0.77 0.00 0.00 57.85 58.21 1oqk n ARG 85 Cb 0.52 -4.96 0.01 0.00 -1.02 0.00 0.00 32.46 27.02 1oqk n ARG 85 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22