#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oq3 s LEU 2 N 0.00 -0.06 0.04 4.03 1.43 -1.26 -5.16 118.68 117.70 1oq3 s LEU 2 Ca 0.00 -0.14 -0.00 0.00 -1.03 0.00 0.00 54.13 52.96 1oq3 s LEU 2 Cb 0.00 1.39 -0.04 0.00 0.03 0.00 0.00 46.19 47.57 1oq3 s LEU 2 CO 0.00 -0.30 0.18 -0.44 0.23 0.00 0.00 176.35 176.02 1oq3 s SER 3 N -3.00 6.22 -0.18 2.29 0.01 -1.26 -5.12 113.70 112.66 1oq3 s SER 3 Ca 0.14 0.25 -0.17 0.00 1.31 0.00 0.00 55.95 57.48 1oq3 s SER 3 Cb 0.05 -1.89 0.05 0.00 0.21 0.00 0.00 66.02 64.43 1oq3 s SER 3 CO -0.04 0.20 0.49 -1.83 0.41 0.00 0.00 173.24 172.47 1oq3 s GLU 4 N -2.32 0.57 0.32 12.44 -1.05 -1.26 -5.17 118.70 122.23 1oq3 s GLU 4 Ca 0.32 0.69 0.07 0.00 -0.15 0.00 0.00 54.97 55.89 1oq3 s GLU 4 Cb -0.13 0.27 -0.01 0.00 -0.44 0.00 0.00 34.13 33.82 1oq3 s GLU 4 CO 0.24 -0.07 0.42 1.14 0.95 0.00 0.00 175.26 177.94 1oq3 s GLN 5 N 0.30 3.08 0.01 -4.83 -2.07 -1.26 -4.51 119.66 110.38 1oq3 s GLN 5 Ca -0.00 -1.03 -0.10 0.00 -1.82 0.00 0.00 55.36 52.40 1oq3 s GLN 5 Cb -0.04 -2.77 0.01 0.00 -1.09 0.00 0.00 33.01 29.13 1oq3 s GLN 5 CO 0.00 0.12 0.21 0.15 -1.32 0.00 0.00 175.29 174.45 1oq3 s LYS 6 N -4.12 0.61 -0.55 9.60 -0.14 -0.09 -4.99 119.74 120.06 1oq3 s LYS 6 Ca 0.43 -0.41 -0.25 0.00 -1.36 0.00 0.00 55.97 54.38 1oq3 s LYS 6 Cb -0.09 0.26 0.04 0.00 -1.68 0.00 0.00 37.83 36.36 1oq3 s LYS 6 CO 0.30 -0.16 1.00 -1.83 -0.76 0.00 0.00 175.35 173.89 1oq3 s GLU 7 N -1.75 3.38 0.19 1.68 -1.05 -1.26 -1.27 118.70 118.62 1oq3 s GLU 7 Ca -0.11 -0.12 -0.11 0.00 -0.15 0.00 0.00 54.97 54.47 1oq3 s GLU 7 Cb -0.05 -4.04 -0.07 0.00 -0.44 0.00 0.00 34.13 29.53 1oq3 s GLU 7 CO 0.01 -1.52 0.53 -1.50 0.95 0.00 0.00 175.26 173.73 1oq3 s ILE 8 N 4.17 4.93 -0.06 1.83 1.10 -0.13 -4.94 121.20 128.11 1oq3 s ILE 8 Ca 0.34 0.55 0.00 0.00 -0.51 0.00 0.00 60.65 61.03 1oq3 s ILE 8 Cb -0.11 -3.65 0.02 0.00 0.15 0.00 0.00 42.46 38.87 1oq3 s ILE 8 CO 0.21 0.04 -0.03 0.00 -2.11 0.00 0.00 174.94 173.05 1oq3 s ALA 9 N -1.69 0.71 0.21 1.50 0.00 -1.26 -0.78 121.76 120.45 1oq3 s ALA 9 Ca 0.44 -0.10 -0.18 0.00 0.00 0.00 0.00 51.96 52.12 1oq3 s ALA 9 Cb -0.12 -0.54 0.03 0.00 0.00 0.00 0.00 23.12 22.48 1oq3 s ALA 9 CO 0.20 -0.17 0.56 0.00 0.00 0.00 0.00 175.76 176.36 1oq3 s MET 10 N 1.27 1.45 0.22 0.00 0.00 -0.30 -4.98 119.30 116.95 1oq3 s MET 10 Ca -0.06 -0.87 -0.00 0.00 0.00 0.00 0.00 55.69 54.76 1oq3 s MET 10 Cb -0.14 0.54 -0.04 0.00 0.00 0.00 0.00 34.83 35.19 1oq3 s MET 10 CO -0.02 -0.63 0.40 -0.65 0.00 0.00 0.00 175.02 174.13 1oq3 s GLN 11 N -3.88 3.52 0.31 3.16 1.11 -1.17 -0.84 119.66 121.86 1oq3 s GLN 11 Ca 0.10 -0.36 0.10 0.00 0.01 0.00 0.00 55.36 55.21 1oq3 s GLN 11 Cb -0.02 -2.83 -0.06 0.00 -1.01 0.00 0.00 33.01 29.10 1oq3 s GLN 11 CO -0.01 0.38 -0.13 0.08 0.01 0.00 0.00 175.29 175.62 1oq3 s VAL 12 N -1.91 2.21 -0.03 1.09 1.01 -1.18 -0.74 120.40 120.85 1oq3 s VAL 12 Ca 0.38 -2.26 0.03 0.00 0.00 0.00 0.00 61.98 60.13 1oq3 s VAL 12 Cb -0.11 -2.48 0.00 0.00 0.00 0.00 0.00 36.38 33.80 1oq3 s VAL 12 CO 0.29 -0.30 -0.12 -0.55 0.00 0.00 0.00 175.10 174.43 1oq3 s SER 13 N -3.54 1.51 0.00 3.32 0.15 0.24 -4.80 113.70 110.58 1oq3 s SER 13 Ca 0.31 -0.24 0.00 0.00 0.70 0.00 0.00 55.95 56.72 1oq3 s SER 13 Cb 0.00 -0.40 0.00 0.00 -1.71 0.00 0.00 66.02 63.91 1oq3 s SER 13 CO 0.15 0.10 0.00 0.61 1.20 0.00 0.00 173.24 175.29 1oq3 n GLY 14 N 3.23 1.31 3.67 9.45 0.00 -1.26 -3.30 105.19 118.29 1oq3 n GLY 14 Ca -0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.49 1oq3 n GLY 14 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1oq3 n MET 15 N -0.97 0.57 -1.91 1.61 0.00 -1.26 -4.97 117.12 110.20 1oq3 n MET 15 Ca 0.00 0.26 0.02 0.00 0.00 0.00 0.00 57.70 57.98 1oq3 n MET 15 Cb 0.00 -2.37 0.04 0.00 0.00 0.00 0.00 33.22 30.89 1oq3 n MET 15 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 1oq3 n THR 16 N -2.59 0.63 -3.44 3.17 -2.24 -1.26 -5.01 114.28 103.54 1oq3 n THR 16 Ca 0.14 -1.87 0.00 0.00 -2.27 0.00 0.00 64.05 60.05 1oq3 n THR 16 Cb 0.49 0.96 0.00 0.00 -2.10 0.00 0.00 70.33 69.68 1oq3 n THR 16 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1oq3 n ALA 18 N 5.69 -1.97 -1.19 0.00 0.00 -1.26 -0.34 120.51 121.44 1oq3 n ALA 18 Ca 0.00 -0.39 -0.07 0.00 0.00 0.00 0.00 53.44 52.98 1oq3 n ALA 18 Cb 0.00 -0.95 -0.03 0.00 0.00 0.00 0.00 19.45 18.47 1oq3 n ALA 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1oq3 n ALA 19 N -4.20 -0.10 0.17 0.00 0.00 -1.26 -4.90 120.51 110.21 1oq3 n ALA 19 Ca -0.25 0.11 -0.08 0.00 0.00 0.00 0.00 53.44 53.22 1oq3 n ALA 19 Cb 0.59 -1.35 -0.04 0.00 0.00 0.00 0.00 19.45 18.65 1oq3 n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1oq3 h ALA 21 N -1.21 1.34 -0.86 0.00 0.00 -1.91 -0.19 119.26 116.43 1oq3 h ALA 21 Ca -0.05 0.09 0.18 0.00 0.00 0.00 0.00 54.91 55.13 1oq3 h ALA 21 Cb 0.38 -0.01 -0.11 0.00 0.00 0.00 0.00 17.79 18.04 1oq3 h ALA 21 CO 0.08 -0.10 0.38 0.00 0.00 0.00 0.00 179.25 179.62 1oq3 h ALA 22 N 1.58 1.31 -0.87 0.00 0.00 -1.91 0.85 119.26 120.22 1oq3 h ALA 22 Ca 0.49 0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.56 1oq3 h ALA 22 Cb 0.71 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.55 1oq3 h ALA 22 CO -0.38 -0.25 0.56 0.00 0.00 0.00 0.00 179.25 179.19 1oq3 h ARG 23 N 0.47 1.06 0.45 0.00 2.47 -0.90 0.93 114.38 118.86 1oq3 h ARG 23 Ca 0.50 -0.06 -0.01 0.00 -1.26 0.00 0.00 59.98 59.15 1oq3 h ARG 23 Cb 0.86 -0.24 -0.03 0.00 -1.65 0.00 0.00 29.97 28.92 1oq3 h ARG 23 CO -0.46 0.70 -0.51 0.82 0.56 0.00 0.00 179.97 181.08 1oq3 h ILE 24 N 1.10 0.02 -0.22 2.04 2.04 -0.80 -0.42 117.51 121.27 1oq3 h ILE 24 Ca 0.34 0.00 -0.15 0.00 1.00 0.00 0.00 64.86 66.06 1oq3 h ILE 24 Cb -0.01 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.09 1oq3 h ILE 24 CO -0.11 0.00 -0.48 -0.08 0.00 0.00 0.00 178.15 177.48 1oq3 h GLU 25 N -0.97 0.57 -0.79 2.37 4.57 -1.24 -1.44 114.58 117.65 1oq3 h GLU 25 Ca -0.05 -0.32 0.10 0.00 -1.18 0.00 0.00 59.36 57.90 1oq3 h GLU 25 Cb 0.86 0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 29.42 1oq3 h GLU 25 CO -0.10 0.92 0.52 0.87 -1.18 0.00 0.00 179.01 180.04 1oq3 h LYS 26 N 0.45 0.69 -0.55 1.92 1.79 -0.69 0.38 116.57 120.57 1oq3 h LYS 26 Ca 0.02 -0.04 0.11 0.00 -2.18 0.00 0.00 60.65 58.56 1oq3 h LYS 26 Cb 1.00 -0.16 -0.09 0.00 -1.58 0.00 0.00 32.23 31.41 1oq3 h LYS 26 CO 0.09 0.46 0.03 0.78 -1.08 0.00 0.00 179.45 179.73 1oq3 h GLY 27 N 0.71 0.61 1.95 3.86 0.00 0.04 -1.46 103.07 108.79 1oq3 h GLY 27 Ca 0.36 0.05 -0.09 0.00 0.00 0.00 0.00 47.33 47.65 1oq3 h GLY 27 CO -0.14 -0.15 -0.39 1.41 0.00 0.00 0.00 176.54 177.27 1oq3 h LEU 28 N 0.15 0.06 -2.69 3.11 3.38 -0.20 -1.70 115.31 117.42 1oq3 h LEU 28 Ca 0.28 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1oq3 h LEU 28 Cb 0.43 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1oq3 h LEU 28 CO -0.44 0.44 0.00 0.50 0.09 0.00 0.00 178.44 179.03 1oq3 h LYS 29 N 0.05 0.00 0.00 1.13 3.64 0.42 0.20 116.57 122.01 1oq3 h LYS 29 Ca 0.00 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.32 1oq3 h LYS 29 Cb 0.71 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.52 1oq3 h LYS 29 CO 0.05 0.00 -0.30 0.00 -2.27 0.00 0.00 179.45 176.93 1oq3 h ARG 30 N 0.00 0.00 -6.63 1.90 -0.00 -0.92 -3.47 114.38 105.26 1oq3 h ARG 30 Ca 0.00 0.00 -0.52 0.00 -0.50 0.00 0.00 59.98 58.96 1oq3 h ARG 30 Cb 0.02 0.00 0.02 0.00 0.00 0.00 0.00 29.97 30.00 1oq3 h ARG 30 CO 0.00 0.30 0.57 -1.64 0.00 0.00 0.00 179.97 179.21 1oq3 s MET 31 N -3.65 4.47 -0.51 0.04 -1.94 0.69 -4.91 119.30 113.49 1oq3 s MET 31 Ca 0.00 1.88 -0.27 0.00 -1.71 0.00 0.00 55.69 55.60 1oq3 s MET 31 Cb 0.11 -3.25 -0.04 0.00 2.01 0.00 0.00 34.83 33.65 1oq3 s MET 31 CO 0.66 -0.14 2.11 -1.25 -0.01 0.00 0.00 175.02 176.39 1oq3 s PRO 32 N 0.03 2.49 0.00 2.03 0.04 -1.26 -1.90 135.00 136.43 1oq3 s PRO 32 Ca 0.54 1.10 0.00 0.00 0.04 0.00 0.00 61.00 62.68 1oq3 s PRO 32 Cb -0.33 -4.45 0.00 0.00 0.04 0.00 0.00 34.50 29.76 1oq3 s PRO 32 CO 0.35 -2.86 0.00 0.41 0.04 0.00 0.00 177.00 174.95 1oq3 n GLY 33 N 5.81 0.98 3.79 0.56 0.00 -1.26 -4.56 105.19 110.51 1oq3 n GLY 33 Ca 0.28 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.97 1oq3 n GLY 33 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1oq3 s VAL 34 N -0.38 3.59 0.04 1.61 0.11 -0.80 -0.67 120.40 123.90 1oq3 s VAL 34 Ca 0.00 0.75 0.00 0.00 -2.93 0.00 0.00 61.98 59.80 1oq3 s VAL 34 Cb 0.00 -3.28 0.00 0.00 -1.53 0.00 0.00 36.38 31.57 1oq3 s VAL 34 CO 0.00 -0.44 0.00 0.41 -3.33 0.00 0.00 175.10 171.74 1oq3 n THR 35 N -2.16 0.45 -3.95 5.04 -1.04 0.11 -4.91 114.28 107.82 1oq3 n THR 35 Ca 0.09 0.15 -0.09 0.00 -2.04 0.00 0.00 64.05 62.16 1oq3 n THR 35 Cb 0.52 -1.50 -0.10 0.00 -1.82 0.00 0.00 70.33 67.43 1oq3 n THR 35 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1oq3 s ASP 36 N -5.37 0.21 -0.09 8.00 2.15 -0.89 -5.01 116.67 115.67 1oq3 s ASP 36 Ca 0.00 -0.53 0.01 0.00 0.43 0.00 0.00 52.55 52.46 1oq3 s ASP 36 Cb 0.00 0.19 0.02 0.00 -0.30 0.00 0.00 42.92 42.82 1oq3 s ASP 36 CO 0.00 -0.44 -0.11 0.00 -0.17 0.00 0.00 175.17 174.45 1oq3 s ALA 37 N -2.28 1.34 -0.19 3.66 0.00 -1.26 -0.25 121.76 122.78 1oq3 s ALA 37 Ca -0.08 -0.51 -0.04 0.00 0.00 0.00 0.00 51.96 51.33 1oq3 s ALA 37 Cb -0.03 -0.74 0.06 0.00 0.00 0.00 0.00 23.12 22.41 1oq3 s ALA 37 CO -0.03 -0.13 0.07 1.21 0.00 0.00 0.00 175.76 176.89 1oq3 s ASN 38 N 1.12 2.60 0.24 0.00 3.84 0.61 -4.96 114.94 118.40 1oq3 s ASN 38 Ca -0.06 -0.73 -0.19 0.00 0.21 0.00 0.00 52.86 52.09 1oq3 s ASN 38 Cb -0.14 -0.37 -0.08 0.00 -0.55 0.00 0.00 41.25 40.10 1oq3 s ASN 38 CO -0.02 -0.34 0.74 0.54 -2.79 0.00 0.00 177.10 175.23 1oq3 s VAL 39 N 2.04 4.56 -0.44 -5.21 0.11 -1.26 -0.67 120.40 119.53 1oq3 s VAL 39 Ca 0.01 1.28 0.08 0.00 -2.93 0.00 0.00 61.98 60.42 1oq3 s VAL 39 Cb -0.16 -3.83 0.27 0.00 -1.53 0.00 0.00 36.38 31.12 1oq3 s VAL 39 CO -0.10 0.15 0.62 -3.20 -3.33 0.00 0.00 175.10 169.23 1oq3 n ASN 40 N 0.56 1.12 0.13 3.54 5.15 0.11 -4.92 115.26 120.95 1oq3 n ASN 40 Ca -0.01 -2.93 0.12 0.00 -0.60 0.00 0.00 54.58 51.16 1oq3 n ASN 40 Cb 0.51 -0.64 0.50 0.00 -0.53 0.00 0.00 39.78 39.63 1oq3 n ASN 40 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1oq3 n LEU 41 N 1.03 0.64 0.14 1.20 4.77 -1.23 -0.89 117.00 122.65 1oq3 n LEU 41 Ca 0.24 0.68 0.08 0.00 -0.03 0.00 0.00 56.01 56.98 1oq3 n LEU 41 Cb 0.53 -0.62 0.43 0.00 -2.33 0.00 0.00 43.42 41.43 1oq3 n LEU 41 CO 0.23 -0.63 0.77 0.00 -1.33 0.00 0.00 177.39 176.43 1oq3 n ALA 42 N -1.77 0.89 -1.81 -1.18 0.00 -1.26 -1.38 120.51 114.00 1oq3 n ALA 42 Ca 0.01 0.15 0.01 0.00 0.00 0.00 0.00 53.44 53.61 1oq3 n ALA 42 Cb 0.19 -1.09 0.02 0.00 0.00 0.00 0.00 19.45 18.57 1oq3 n ALA 42 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1oq3 n THR 43 N -2.07 0.25 -3.67 0.00 -1.04 -0.07 -5.00 114.28 102.67 1oq3 n THR 43 Ca -0.01 -0.30 -0.27 0.00 -2.04 0.00 0.00 64.05 61.43 1oq3 n THR 43 Cb 0.13 0.43 -0.02 0.00 -1.82 0.00 0.00 70.33 69.05 1oq3 n THR 43 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1oq3 n GLU 44 N -0.19 -3.15 -4.20 -2.82 4.71 -0.48 -4.91 120.64 109.60 1oq3 n GLU 44 Ca 0.02 0.39 -0.15 0.00 -0.01 0.00 0.00 57.16 57.41 1oq3 n GLU 44 Cb 0.68 -5.09 -0.11 0.00 -1.01 0.00 0.00 31.44 25.91 1oq3 n GLU 44 CO 0.00 0.00 0.00 0.99 0.09 0.00 0.00 177.13 178.21 1oq3 s THR 45 N -3.01 1.04 0.03 2.62 2.01 -0.49 -3.10 115.64 114.75 1oq3 s THR 45 Ca 0.52 -1.74 0.02 0.00 0.31 0.00 0.00 61.69 60.79 1oq3 s THR 45 Cb -0.28 -1.49 -0.02 0.00 0.01 0.00 0.00 72.50 70.72 1oq3 s THR 45 CO 0.64 -0.58 -0.06 0.54 -0.69 0.00 0.00 174.62 174.47 1oq3 s VAL 46 N -2.60 0.43 -0.05 3.82 0.11 -0.02 0.06 120.40 122.14 1oq3 s VAL 46 Ca 0.08 -0.89 0.05 0.00 -2.93 0.00 0.00 61.98 58.29 1oq3 s VAL 46 Cb -0.02 -0.49 -0.02 0.00 -1.53 0.00 0.00 36.38 34.32 1oq3 s VAL 46 CO 0.00 -0.32 -0.19 0.21 -3.33 0.00 0.00 175.10 171.48 1oq3 s ASN 47 N -1.29 3.63 -0.02 3.54 2.47 0.16 -1.15 114.94 122.27 1oq3 s ASN 47 Ca -0.09 -0.33 0.00 0.00 0.42 0.00 0.00 52.86 52.86 1oq3 s ASN 47 Cb -0.08 -0.80 0.03 0.00 -1.45 0.00 0.00 41.25 38.94 1oq3 s ASN 47 CO 0.00 0.30 0.01 0.54 -3.72 0.00 0.00 177.10 174.24 1oq3 s VAL 48 N -0.50 0.07 -0.34 -5.21 0.11 0.04 -0.28 120.40 114.29 1oq3 s VAL 48 Ca 0.06 0.13 -0.14 0.00 -2.93 0.00 0.00 61.98 59.10 1oq3 s VAL 48 Cb -0.12 -0.17 -0.02 0.00 -1.53 0.00 0.00 36.38 34.55 1oq3 s VAL 48 CO 0.01 0.11 0.28 -0.63 -3.33 0.00 0.00 175.10 171.54 1oq3 s ILE 49 N 0.92 5.24 0.21 7.04 1.09 0.66 -0.95 121.20 135.42 1oq3 s ILE 49 Ca -0.08 -0.08 -0.02 0.00 -1.10 0.00 0.00 60.65 59.37 1oq3 s ILE 49 Cb -0.12 -3.74 -0.03 0.00 -1.06 0.00 0.00 42.46 37.51 1oq3 s ILE 49 CO -0.02 -0.02 0.18 -0.72 -0.10 0.00 0.00 174.94 174.26 1oq3 s TYR 50 N 1.84 1.10 -0.36 3.97 -0.85 -0.40 -0.71 117.35 121.94 1oq3 s TYR 50 Ca 0.08 -1.32 -0.11 0.00 -0.52 0.00 0.00 57.07 55.21 1oq3 s TYR 50 Cb -0.17 -0.47 0.02 0.00 0.38 0.00 0.00 41.96 41.72 1oq3 s TYR 50 CO 0.11 -0.70 0.19 0.34 -1.52 0.00 0.00 175.55 173.97 1oq3 s ASP 51 N -3.16 5.68 0.00 -0.18 -1.08 0.15 -0.91 116.67 117.17 1oq3 s ASP 51 Ca 0.37 -0.89 0.00 0.00 -0.52 0.00 0.00 52.55 51.51 1oq3 s ASP 51 Cb 0.06 -2.01 0.00 0.00 -1.46 0.00 0.00 42.92 39.50 1oq3 s ASP 51 CO 0.13 -0.34 0.51 -0.81 0.52 0.00 0.00 175.17 175.17 1oq3 n PRO 52 N 4.99 0.55 -0.03 4.34 -0.04 -1.06 0.05 135.00 143.80 1oq3 n PRO 52 Ca -0.12 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.17 1oq3 n PRO 52 Cb 0.47 -1.05 -0.13 0.00 -0.04 0.00 0.00 33.50 32.75 1oq3 n PRO 52 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1oq3 h ALA 53 N 2.01 0.02 0.05 0.55 0.00 -1.94 -3.38 119.26 116.58 1oq3 h ALA 53 Ca 0.00 -0.68 -0.17 0.00 0.00 0.00 0.00 54.91 54.07 1oq3 h ALA 53 Cb 0.05 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1oq3 h ALA 53 CO 0.00 0.25 -0.85 0.93 0.00 0.00 0.00 179.25 179.57 1oq3 h GLU 54 N -0.77 0.11 -3.15 0.00 4.39 -1.83 -3.50 114.58 109.83 1oq3 h GLU 54 Ca -0.10 -0.20 -0.24 0.00 0.34 0.00 0.00 59.36 59.16 1oq3 h GLU 54 Cb 1.27 0.07 -0.32 0.00 -0.10 0.00 0.00 28.75 29.67 1oq3 h GLU 54 CO 0.02 1.09 -0.58 0.99 -1.16 0.00 0.00 179.01 179.37 1oq3 s THR 55 N -2.36 -0.12 0.00 1.13 2.01 0.11 -4.99 115.64 111.42 1oq3 s THR 55 Ca -0.21 0.22 0.00 0.00 0.31 0.00 0.00 61.69 62.01 1oq3 s THR 55 Cb 0.02 -0.29 0.00 0.00 0.01 0.00 0.00 72.50 72.24 1oq3 s THR 55 CO 0.71 0.09 0.00 0.61 -0.69 0.00 0.00 174.62 175.34 1oq3 n GLY 56 N 4.53 2.39 0.16 4.40 0.00 -1.26 -2.56 105.19 112.85 1oq3 n GLY 56 Ca -0.20 -0.47 0.04 0.00 0.00 0.00 0.00 46.02 45.39 1oq3 n GLY 56 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1oq3 n THR 57 N 0.00 -0.18 0.00 2.61 5.66 -1.26 -0.38 114.28 120.73 1oq3 n THR 57 Ca 0.00 0.99 -0.11 0.00 -3.05 0.00 0.00 64.05 61.88 1oq3 n THR 57 Cb 0.00 -1.40 -0.04 0.00 -1.55 0.00 0.00 70.33 67.34 1oq3 n THR 57 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1oq3 h ALA 58 N 0.88 -0.41 -0.14 1.79 0.00 -2.00 0.95 119.26 120.33 1oq3 h ALA 58 Ca 0.23 0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.93 1oq3 h ALA 58 Cb 0.40 0.64 0.01 0.00 0.00 0.00 0.00 17.79 18.84 1oq3 h ALA 58 CO -0.44 -0.82 -0.79 0.00 0.00 0.00 0.00 179.25 177.20 1oq3 h ALA 59 N 0.37 0.28 -0.00 0.00 0.00 -1.10 -3.29 119.26 115.52 1oq3 h ALA 59 Ca 0.09 -0.60 -0.00 0.00 0.00 0.00 0.00 54.91 54.40 1oq3 h ALA 59 Cb 0.56 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 1oq3 h ALA 59 CO -0.36 0.66 -0.00 0.82 0.00 0.00 0.00 179.25 180.37 1oq3 h ILE 60 N 0.51 1.30 -0.38 0.00 5.03 -0.83 -1.54 117.51 121.59 1oq3 h ILE 60 Ca -0.06 -0.89 0.08 0.00 -0.12 0.00 0.00 64.86 63.87 1oq3 h ILE 60 Cb 1.42 1.91 -0.08 0.00 -3.03 0.00 0.00 36.82 37.04 1oq3 h ILE 60 CO 0.16 0.23 -0.16 1.56 -0.68 0.00 0.00 178.15 179.27 1oq3 h GLN 61 N -0.38 -0.08 -0.63 2.37 7.50 -0.96 0.23 115.11 123.16 1oq3 h GLN 61 Ca 0.00 0.01 0.11 0.00 0.50 0.00 0.00 58.65 59.27 1oq3 h GLN 61 Cb 0.38 0.02 -0.12 0.00 0.05 0.00 0.00 27.48 27.81 1oq3 h GLN 61 CO 0.00 -0.05 -0.32 1.49 -1.50 0.00 0.00 178.83 178.45 1oq3 h GLU 62 N -0.08 -0.13 -0.24 1.46 4.22 -1.58 0.16 114.58 118.39 1oq3 h GLU 62 Ca 0.19 0.01 -0.11 0.00 0.08 0.00 0.00 59.36 59.53 1oq3 h GLU 62 Cb 0.37 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.65 1oq3 h GLU 62 CO -0.44 -0.08 -0.27 0.87 -2.18 0.00 0.00 179.01 176.90 1oq3 h LYS 63 N -0.13 0.61 -0.60 1.92 6.56 -0.33 -2.93 116.57 121.67 1oq3 h LYS 63 Ca 0.25 -0.33 0.12 0.00 -1.06 0.00 0.00 60.65 59.63 1oq3 h LYS 63 Cb 0.55 0.02 -0.09 0.00 -0.57 0.00 0.00 32.23 32.14 1oq3 h LYS 63 CO -0.71 0.94 0.08 0.82 -2.06 0.00 0.00 179.45 178.52 1oq3 h ILE 64 N 0.32 0.58 -0.53 1.86 1.08 0.21 0.29 117.51 121.33 1oq3 h ILE 64 Ca 0.03 -0.07 0.10 0.00 -0.39 0.00 0.00 64.86 64.54 1oq3 h ILE 64 Cb 0.84 0.37 -0.08 0.00 -3.07 0.00 0.00 36.82 34.87 1oq3 h ILE 64 CO 0.07 0.04 0.04 -0.33 -0.69 0.00 0.00 178.15 177.27 1oq3 h GLU 65 N 0.20 0.16 -0.20 2.37 4.39 -0.90 -2.15 114.58 118.44 1oq3 h GLU 65 Ca 0.32 -0.01 -0.12 0.00 0.34 0.00 0.00 59.36 59.89 1oq3 h GLU 65 Cb 0.49 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.10 1oq3 h GLU 65 CO -0.45 0.10 -0.39 -0.22 -1.16 0.00 0.00 179.01 176.89 1oq3 h LYS 66 N 0.16 0.44 -0.10 2.33 1.63 -0.52 0.05 116.57 120.56 1oq3 h LYS 66 Ca 0.27 -0.21 0.03 0.00 -0.85 0.00 0.00 60.65 59.88 1oq3 h LYS 66 Cb 0.40 -0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.02 1oq3 h LYS 66 CO -0.41 0.77 0.27 -0.07 -3.45 0.00 0.00 179.45 176.56 1oq3 h LEU 67 N 0.37 0.00 0.00 5.20 -0.00 0.05 -3.45 115.31 117.48 1oq3 h LEU 67 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.92 1oq3 h LEU 67 Cb 0.85 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.51 1oq3 h LEU 67 CO 0.07 0.00 0.00 0.61 -0.00 0.00 0.00 178.44 179.12 1oq3 n GLY 68 N -1.27 1.65 3.26 0.83 0.00 0.00 -5.01 105.19 104.65 1oq3 n GLY 68 Ca -0.00 -0.19 -0.15 0.00 0.00 0.00 0.00 46.02 45.69 1oq3 n GLY 68 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1oq3 s TYR 69 N -2.00 1.36 -0.09 1.61 1.51 -0.96 -5.04 117.35 113.75 1oq3 s TYR 69 Ca 0.00 -1.32 0.02 0.00 -1.01 0.00 0.00 57.07 54.76 1oq3 s TYR 69 Cb 0.00 -0.71 0.01 0.00 -0.11 0.00 0.00 41.96 41.15 1oq3 s TYR 69 CO 0.00 -0.54 -0.14 -3.38 -1.11 0.00 0.00 175.55 170.39 1oq3 s HIS 70 N -3.93 1.73 0.24 2.71 -3.43 -1.21 -3.02 115.29 108.38 1oq3 s HIS 70 Ca 0.38 -0.73 -0.12 0.00 -0.80 0.00 0.00 55.06 53.80 1oq3 s HIS 70 Cb 0.07 -1.26 -0.08 0.00 -1.43 0.00 0.00 32.58 29.88 1oq3 s HIS 70 CO 0.14 -0.37 0.60 0.54 -2.00 0.00 0.00 174.74 173.64 1oq3 s VAL 71 N 0.82 4.85 -0.07 -5.38 0.11 -1.26 -0.59 120.40 118.88 1oq3 s VAL 71 Ca -0.11 0.64 0.05 0.00 -2.93 0.00 0.00 61.98 59.63 1oq3 s VAL 71 Cb -0.15 -3.63 -0.01 0.00 -1.53 0.00 0.00 36.38 31.05 1oq3 s VAL 71 CO 0.02 -0.06 -0.22 0.68 -3.33 0.00 0.00 175.10 172.18 1oq3 s VAL 72 N -1.82 2.32 -0.68 2.04 -7.23 0.08 -4.94 120.40 110.17 1oq3 s VAL 72 Ca 0.48 -0.96 -0.08 0.00 -1.81 0.00 0.00 61.98 59.61 1oq3 s VAL 72 Cb -0.11 -1.88 0.18 0.00 0.56 0.00 0.00 36.38 35.13 1oq3 s VAL 72 CO 0.20 0.56 0.55 -0.63 -0.31 0.00 0.00 175.10 175.48 1oq3 s ILE 73 N -0.07 4.48 0.02 -0.62 -1.09 -1.26 -3.04 121.20 119.62 1oq3 s ILE 73 Ca -0.05 -2.65 -0.00 0.00 -2.23 0.00 0.00 60.65 55.72 1oq3 s ILE 73 Cb -0.14 -3.85 -0.02 0.00 -1.58 0.00 0.00 42.46 36.86 1oq3 s ILE 73 CO 0.04 -0.92 -0.02 -0.70 -1.23 0.00 0.00 174.94 172.11 1oq3 s GLU 74 N 0.18 0.29 0.00 2.79 2.12 -1.26 -4.99 118.70 117.82 1oq3 s GLU 74 Ca 0.16 -0.56 0.00 0.00 0.36 0.00 0.00 54.97 54.93 1oq3 s GLU 74 Cb -0.17 0.10 0.00 0.00 0.26 0.00 0.00 34.13 34.32 1oq3 s GLU 74 CO -0.05 -0.05 0.00 0.41 -0.54 0.00 0.00 175.26 175.03 1oq3 n GLY 75 N 1.71 2.05 0.00 -1.50 0.00 -1.26 -4.78 105.19 101.41 1oq3 n GLY 75 Ca -0.23 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.49 1oq3 n GLY 75 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36