#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 1.78 0.23 4.03 1.02 -1.26 -5.08 118.68 119.41 1oq3 s LEU 2 Ca 0.00 1.55 0.08 0.00 0.02 0.00 0.00 54.13 55.78 1oq3 s LEU 2 Cb 0.00 -3.76 -0.04 0.00 0.02 0.00 0.00 46.19 42.41 1oq3 s LEU 2 CO 0.00 -3.28 0.09 -0.44 0.02 0.00 0.00 176.35 172.73 1oq3 s SER 3 N -3.04 5.06 -0.01 2.29 0.01 -1.26 -5.15 113.70 111.60 1oq3 s SER 3 Ca 0.66 -0.40 -0.10 0.00 1.31 0.00 0.00 55.95 57.43 1oq3 s SER 3 Cb -0.21 -1.15 0.01 0.00 0.21 0.00 0.00 66.02 64.88 1oq3 s SER 3 CO 0.60 0.01 0.20 -1.83 0.41 0.00 0.00 173.24 172.62 1oq3 s GLU 4 N -3.55 0.51 0.44 12.44 1.03 -1.26 -5.18 118.70 123.14 1oq3 s GLU 4 Ca 0.31 -0.26 0.07 0.00 0.03 0.00 0.00 54.97 55.13 1oq3 s GLU 4 Cb -0.08 0.22 -0.01 0.00 -0.80 0.00 0.00 34.13 33.47 1oq3 s GLU 4 CO 0.22 -0.13 0.40 1.14 -1.33 0.00 0.00 175.26 175.57 1oq3 s GLN 5 N -1.20 2.47 0.13 -4.83 -2.07 -1.26 -4.55 119.66 108.35 1oq3 s GLN 5 Ca -0.13 -1.62 -0.17 0.00 -1.82 0.00 0.00 55.36 51.62 1oq3 s GLN 5 Cb -0.06 -2.34 0.04 0.00 -1.09 0.00 0.00 33.01 29.56 1oq3 s GLN 5 CO 0.02 -0.30 0.44 0.15 -1.32 0.00 0.00 175.29 174.28 1oq3 s LYS 6 N -4.18 1.10 0.08 9.60 -0.14 -0.33 -5.00 119.74 120.88 1oq3 s LYS 6 Ca 0.47 -0.66 -0.26 0.00 -1.36 0.00 0.00 55.97 54.16 1oq3 s LYS 6 Cb -0.03 0.49 -0.06 0.00 -1.68 0.00 0.00 37.83 36.55 1oq3 s LYS 6 CO 0.27 -0.44 0.79 -1.83 -0.76 0.00 0.00 175.35 173.38 1oq3 s GLU 7 N -3.76 4.53 0.11 1.68 -1.05 -1.26 -1.39 118.70 117.55 1oq3 s GLU 7 Ca 0.02 1.12 0.06 0.00 -0.15 0.00 0.00 54.97 56.02 1oq3 s GLU 7 Cb 0.01 -3.34 -0.04 0.00 -0.44 0.00 0.00 34.13 30.32 1oq3 s GLU 7 CO -0.12 0.34 -0.00 -1.50 0.95 0.00 0.00 175.26 174.93 1oq3 s ILE 8 N -0.29 3.92 -0.04 1.83 1.10 0.25 -4.97 121.20 122.99 1oq3 s ILE 8 Ca 0.39 -1.10 -0.02 0.00 -0.51 0.00 0.00 60.65 59.41 1oq3 s ILE 8 Cb -0.21 -2.89 0.03 0.00 0.15 0.00 0.00 42.46 39.54 1oq3 s ILE 8 CO 0.24 0.07 0.07 0.00 -2.11 0.00 0.00 174.94 173.21 1oq3 s ALA 9 N -1.39 0.11 0.30 1.50 0.00 -1.26 -0.98 121.76 120.03 1oq3 s ALA 9 Ca 0.26 0.30 -0.17 0.00 0.00 0.00 0.00 51.96 52.35 1oq3 s ALA 9 Cb -0.11 -0.52 0.02 0.00 0.00 0.00 0.00 23.12 22.51 1oq3 s ALA 9 CO 0.18 -0.36 0.67 0.00 0.00 0.00 0.00 175.76 176.25 1oq3 s MET 10 N 1.79 1.83 0.07 0.00 0.23 -0.25 -4.69 119.30 118.29 1oq3 s MET 10 Ca -0.00 -1.17 0.02 0.00 -1.03 0.00 0.00 55.69 53.50 1oq3 s MET 10 Cb -0.12 0.58 -0.04 0.00 -1.53 0.00 0.00 34.83 33.71 1oq3 s MET 10 CO -0.04 -0.83 0.15 -0.65 -2.03 0.00 0.00 175.02 171.62 1oq3 s GLN 11 N -3.58 3.16 0.38 3.16 1.11 -1.24 -0.54 119.66 122.11 1oq3 s GLN 11 Ca 0.15 -0.57 0.08 0.00 0.01 0.00 0.00 55.36 55.04 1oq3 s GLN 11 Cb -0.04 -2.88 -0.07 0.00 -1.01 0.00 0.00 33.01 29.00 1oq3 s GLN 11 CO 0.09 0.59 0.00 0.08 0.01 0.00 0.00 175.29 176.06 1oq3 s VAL 12 N -1.45 2.19 -0.04 1.09 1.01 -1.09 -1.02 120.40 121.09 1oq3 s VAL 12 Ca 0.32 -2.02 0.01 0.00 0.00 0.00 0.00 61.98 60.29 1oq3 s VAL 12 Cb -0.13 -2.87 0.02 0.00 0.00 0.00 0.00 36.38 33.41 1oq3 s VAL 12 CO 0.25 -0.08 -0.02 -0.55 0.00 0.00 0.00 175.10 174.69 1oq3 s SER 13 N -3.71 0.66 0.00 3.32 0.15 0.89 -4.89 113.70 110.13 1oq3 s SER 13 Ca 0.35 -0.08 0.00 0.00 0.70 0.00 0.00 55.95 56.92 1oq3 s SER 13 Cb 0.06 -0.33 0.00 0.00 -1.71 0.00 0.00 66.02 64.04 1oq3 s SER 13 CO 0.18 -0.08 0.00 0.61 1.20 0.00 0.00 173.24 175.16 1oq3 n GLY 14 N 4.07 2.28 3.67 9.45 0.00 -1.26 -3.02 105.19 120.39 1oq3 n GLY 14 Ca -0.26 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.62 1.91 -1.03 1.61 3.85 -1.26 -4.88 117.12 116.70 1oq3 n MET 15 Ca 0.00 0.70 -0.20 0.00 -1.00 0.00 0.00 57.70 57.19 1oq3 n MET 15 Cb 0.00 -2.48 0.15 0.00 -1.05 0.00 0.00 33.22 29.84 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 4.38 2.86 -4.46 3.17 -2.24 -1.26 -5.01 114.28 111.71 1oq3 n THR 16 Ca 0.21 -1.64 0.00 0.00 -2.27 0.00 0.00 64.05 60.36 1oq3 n THR 16 Cb 0.26 -0.59 0.00 0.00 -2.10 0.00 0.00 70.33 67.90 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 2.00 0.00 1.92 0.00 0.00 -1.26 -1.62 120.51 121.55 1oq3 n ALA 18 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 1oq3 n ALA 18 Cb 0.00 0.00 0.19 0.00 0.00 0.00 0.00 19.45 19.64 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 7.12 2.50 0.27 0.00 0.00 -1.26 -4.45 120.51 124.70 1oq3 n ALA 19 Ca 0.00 -0.04 -0.11 0.00 0.00 0.00 0.00 53.44 53.29 1oq3 n ALA 19 Cb 0.00 -1.10 -0.05 0.00 0.00 0.00 0.00 19.45 18.29 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 1.54 -0.19 0.00 0.00 -1.78 0.04 119.26 117.66 1oq3 h ALA 21 Ca -0.08 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 54.75 1oq3 h ALA 21 Cb 0.57 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.29 1oq3 h ALA 21 CO 0.13 0.18 -0.10 0.00 0.00 0.00 0.00 179.25 179.45 1oq3 h ALA 22 N 1.86 0.06 -0.51 0.00 0.00 -1.75 -0.48 119.26 118.44 1oq3 h ALA 22 Ca -0.00 0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1oq3 h ALA 22 Cb 0.30 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 1oq3 h ALA 22 CO 0.02 -0.53 0.32 0.00 0.00 0.00 0.00 179.25 179.06 1oq3 h ARG 23 N -0.08 0.63 -0.30 0.00 3.08 0.88 0.14 114.38 118.73 1oq3 h ARG 23 Ca 0.11 -0.04 0.04 0.00 0.07 0.00 0.00 59.98 60.16 1oq3 h ARG 23 Cb 0.24 -0.14 -0.07 0.00 0.08 0.00 0.00 29.97 30.08 1oq3 h ARG 23 CO -0.25 0.42 -0.55 0.82 -1.07 0.00 0.00 179.97 179.34 1oq3 h ILE 24 N 0.65 0.00 -0.32 2.04 2.04 -0.61 -1.11 117.51 120.20 1oq3 h ILE 24 Ca 0.20 0.00 -0.15 0.00 1.00 0.00 0.00 64.86 65.91 1oq3 h ILE 24 Cb -0.03 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.05 1oq3 h ILE 24 CO -0.07 0.00 -0.37 -0.08 0.00 0.00 0.00 178.15 177.63 1oq3 h GLU 25 N -0.47 0.82 -0.91 2.37 4.22 -0.93 -2.92 114.58 116.76 1oq3 h GLU 25 Ca 0.06 -0.45 0.20 0.00 0.08 0.00 0.00 59.36 59.24 1oq3 h GLU 25 Cb 0.63 0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.84 1oq3 h GLU 25 CO -0.53 1.09 0.60 0.87 -2.18 0.00 0.00 179.01 178.85 1oq3 h LYS 26 N 0.60 0.45 -0.32 1.92 1.79 -0.36 0.74 116.57 121.40 1oq3 h LYS 26 Ca 0.04 -0.03 0.07 0.00 -2.18 0.00 0.00 60.65 58.56 1oq3 h LYS 26 Cb 0.96 -0.10 -0.08 0.00 -1.58 0.00 0.00 32.23 31.44 1oq3 h LYS 26 CO 0.09 0.30 -0.20 0.78 -1.08 0.00 0.00 179.45 179.34 1oq3 h GLY 27 N 0.47 -0.00 2.00 3.86 0.00 -1.01 -2.11 103.07 106.28 1oq3 h GLY 27 Ca 0.48 0.25 -0.06 0.00 0.00 0.00 0.00 47.33 48.00 1oq3 h GLY 27 CO -0.20 -0.19 -0.27 1.41 0.00 0.00 0.00 176.54 177.29 1oq3 h LEU 28 N -0.16 0.00 -2.08 3.11 3.38 0.29 -1.20 115.31 118.64 1oq3 h LEU 28 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1oq3 h LEU 28 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1oq3 h LEU 28 CO -0.41 0.27 0.01 0.50 0.09 0.00 0.00 178.44 178.89 1oq3 h LYS 29 N 0.00 0.00 -0.00 1.13 3.64 0.03 0.15 116.57 121.51 1oq3 h LYS 29 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1oq3 h LYS 29 Cb 0.55 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 1oq3 h LYS 29 CO 0.04 0.00 -0.24 0.54 -2.27 0.00 0.00 179.45 177.52 1oq3 n ARG 30 N -2.60 0.16 -2.34 1.90 3.00 -0.45 -4.88 116.66 111.44 1oq3 n ARG 30 Ca -0.02 -0.06 -0.41 0.00 -0.01 0.00 0.00 57.85 57.35 1oq3 n ARG 30 Cb 0.05 -1.50 -0.03 0.00 0.00 0.00 0.00 32.46 30.98 1oq3 n ARG 30 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.63 175.99 1oq3 s MET 31 N -2.88 4.52 -0.88 5.56 -1.94 0.51 -4.91 119.30 119.27 1oq3 s MET 31 Ca 0.16 1.94 -0.25 0.00 -1.71 0.00 0.00 55.69 55.84 1oq3 s MET 31 Cb 0.19 -3.17 -0.04 0.00 2.01 0.00 0.00 34.83 33.82 1oq3 s MET 31 CO 0.59 0.02 1.91 -1.25 -0.01 0.00 0.00 175.02 176.28 1oq3 s PRO 32 N -1.21 2.61 0.00 2.03 0.04 -1.26 -1.96 135.00 135.25 1oq3 s PRO 32 Ca 0.48 -0.26 0.00 0.00 0.04 0.00 0.00 61.00 61.26 1oq3 s PRO 32 Cb -0.34 -5.02 0.00 0.00 0.04 0.00 0.00 34.50 29.17 1oq3 s PRO 32 CO 0.43 -3.27 0.00 0.41 0.04 0.00 0.00 177.00 174.61 1oq3 n GLY 33 N 6.76 0.64 3.78 0.56 0.00 -1.26 -4.49 105.19 111.18 1oq3 n GLY 33 Ca 0.38 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.08 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 0.00 3.40 0.03 1.61 0.11 -0.83 -0.57 120.40 124.15 1oq3 s VAL 34 Ca 0.00 0.61 -0.03 0.00 -2.93 0.00 0.00 61.98 59.63 1oq3 s VAL 34 Cb 0.00 -3.14 -0.01 0.00 -1.53 0.00 0.00 36.38 31.71 1oq3 s VAL 34 CO 0.00 -0.44 -0.05 0.41 -3.33 0.00 0.00 175.10 171.69 1oq3 n THR 35 N -2.56 0.96 -3.78 5.04 -1.04 -0.06 -4.90 114.28 107.93 1oq3 n THR 35 Ca 0.10 0.29 -0.13 0.00 -2.04 0.00 0.00 64.05 62.27 1oq3 n THR 35 Cb 0.52 -1.57 -0.11 0.00 -1.82 0.00 0.00 70.33 67.36 1oq3 n THR 35 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 1oq3 s ASP 36 N -5.68 -0.25 0.19 8.00 1.01 -1.01 -5.02 116.67 113.92 1oq3 s ASP 36 Ca -0.04 0.43 0.05 0.00 0.71 0.00 0.00 52.55 53.70 1oq3 s ASP 36 Cb 0.01 0.50 -0.03 0.00 1.01 0.00 0.00 42.92 44.40 1oq3 s ASP 36 CO 0.06 -0.17 0.24 0.00 0.21 0.00 0.00 175.17 175.51 1oq3 s ALA 37 N -0.19 3.77 -0.33 5.23 0.00 -1.26 -0.20 121.76 128.77 1oq3 s ALA 37 Ca -0.03 -1.21 0.04 0.00 0.00 0.00 0.00 51.96 50.76 1oq3 s ALA 37 Cb -0.03 -1.55 0.17 0.00 0.00 0.00 0.00 23.12 21.71 1oq3 s ALA 37 CO 0.01 0.40 0.49 -0.80 0.00 0.00 0.00 175.76 175.86 1oq3 s ASN 38 N -3.49 -0.26 0.17 0.00 0.01 0.11 -4.95 114.94 106.54 1oq3 s ASN 38 Ca 0.33 -0.61 -0.25 0.00 -0.71 0.00 0.00 52.86 51.62 1oq3 s ASN 38 Cb -0.10 1.36 -0.08 0.00 0.41 0.00 0.00 41.25 42.85 1oq3 s ASN 38 CO 0.26 -0.28 0.78 0.54 -1.51 0.00 0.00 177.10 176.89 1oq3 s VAL 39 N 2.22 4.37 -0.43 1.60 0.11 -1.26 -0.51 120.40 126.50 1oq3 s VAL 39 Ca 0.13 1.69 0.08 0.00 -2.93 0.00 0.00 61.98 60.94 1oq3 s VAL 39 Cb -0.11 -4.13 0.25 0.00 -1.53 0.00 0.00 36.38 30.87 1oq3 s VAL 39 CO -0.19 0.51 0.56 0.59 -3.33 0.00 0.00 175.10 173.23 1oq3 n ASN 40 N 1.54 0.71 0.20 3.54 3.02 0.85 -4.94 115.26 120.19 1oq3 n ASN 40 Ca -0.05 -2.81 0.14 0.00 -0.03 0.00 0.00 54.58 51.83 1oq3 n ASN 40 Cb 0.49 -0.64 0.67 0.00 -0.61 0.00 0.00 39.78 39.68 1oq3 n ASN 40 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1oq3 h LEU 41 N 4.02 0.00 -2.03 3.41 3.38 -1.93 -0.55 115.31 121.62 1oq3 h LEU 41 Ca 0.09 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.11 1oq3 h LEU 41 Cb 0.85 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 1oq3 h LEU 41 CO 0.52 0.00 0.35 0.00 0.09 0.00 0.00 178.44 179.40 1oq3 h ALA 42 N 2.10 1.64 0.00 1.53 0.00 -1.92 -1.23 119.26 121.38 1oq3 h ALA 42 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1oq3 h ALA 42 Cb 0.24 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1oq3 h ALA 42 CO 0.00 -0.44 -0.39 2.41 0.00 0.00 0.00 179.25 180.83 1oq3 n THR 43 N -3.26 0.67 -3.20 0.00 -1.04 -0.32 -5.00 114.28 102.14 1oq3 n THR 43 Ca 0.02 -0.91 -0.21 0.00 -2.04 0.00 0.00 64.05 60.90 1oq3 n THR 43 Cb 0.45 0.28 -0.00 0.00 -1.82 0.00 0.00 70.33 69.25 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 -0.45 -3.34 -4.24 -2.82 1.02 -0.47 -4.93 120.64 105.42 1oq3 n GLU 44 Ca 0.06 0.51 -0.20 0.00 -0.02 0.00 0.00 57.16 57.52 1oq3 n GLU 44 Cb 0.72 -5.22 -0.12 0.00 -0.02 0.00 0.00 31.44 26.81 1oq3 n GLU 44 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1oq3 s THR 45 N -2.89 1.39 0.01 2.62 2.01 -0.59 -2.68 115.64 115.51 1oq3 s THR 45 Ca 0.33 -1.59 0.02 0.00 0.31 0.00 0.00 61.69 60.76 1oq3 s THR 45 Cb -0.17 -1.44 -0.01 0.00 0.01 0.00 0.00 72.50 70.88 1oq3 s THR 45 CO 0.41 -0.29 -0.07 0.54 -0.69 0.00 0.00 174.62 174.52 1oq3 s VAL 46 N -1.71 0.55 0.06 3.82 0.11 0.30 -0.10 120.40 123.41 1oq3 s VAL 46 Ca 0.06 -0.57 0.09 0.00 -2.93 0.00 0.00 61.98 58.63 1oq3 s VAL 46 Cb -0.07 -0.51 -0.03 0.00 -1.53 0.00 0.00 36.38 34.23 1oq3 s VAL 46 CO 0.03 -0.04 -0.25 0.21 -3.33 0.00 0.00 175.10 171.73 1oq3 s ASN 47 N -0.67 3.31 -0.13 3.54 2.47 0.33 -1.09 114.94 122.70 1oq3 s ASN 47 Ca -0.02 -0.58 -0.12 0.00 0.42 0.00 0.00 52.86 52.57 1oq3 s ASN 47 Cb -0.05 -0.34 0.04 0.00 -1.45 0.00 0.00 41.25 39.44 1oq3 s ASN 47 CO 0.00 0.25 0.36 0.54 -3.72 0.00 0.00 177.10 174.52 1oq3 s VAL 48 N -0.86 -0.00 -0.28 -5.21 0.11 -0.15 0.07 120.40 114.07 1oq3 s VAL 48 Ca 0.13 0.01 -0.11 0.00 -2.93 0.00 0.00 61.98 59.08 1oq3 s VAL 48 Cb -0.10 -0.50 -0.04 0.00 -1.53 0.00 0.00 36.38 34.21 1oq3 s VAL 48 CO 0.03 0.00 0.18 -0.63 -3.33 0.00 0.00 175.10 171.35 1oq3 s ILE 49 N 0.30 5.14 0.21 7.04 1.01 0.72 -0.58 121.20 135.03 1oq3 s ILE 49 Ca -0.01 0.05 -0.07 0.00 0.00 0.00 0.00 60.65 60.61 1oq3 s ILE 49 Cb -0.03 -3.47 -0.02 0.00 0.01 0.00 0.00 42.46 38.95 1oq3 s ILE 49 CO -0.01 0.22 0.30 -0.72 0.00 0.00 0.00 174.94 174.73 1oq3 s TYR 50 N 1.73 0.67 -0.33 3.97 -0.85 -0.49 -0.88 117.35 121.18 1oq3 s TYR 50 Ca 0.07 -0.98 -0.12 0.00 -0.52 0.00 0.00 57.07 55.52 1oq3 s TYR 50 Cb -0.16 -0.15 -0.01 0.00 0.38 0.00 0.00 41.96 42.02 1oq3 s TYR 50 CO 0.10 -0.80 0.21 0.34 -1.52 0.00 0.00 175.55 173.88 1oq3 s ASP 51 N -3.06 5.86 0.00 -0.18 -1.08 0.26 -1.18 116.67 117.29 1oq3 s ASP 51 Ca 0.27 -0.45 0.03 0.00 -0.52 0.00 0.00 52.55 51.89 1oq3 s ASP 51 Cb 0.03 -2.09 0.20 0.00 -1.46 0.00 0.00 42.92 39.60 1oq3 s ASP 51 CO 0.08 -0.21 0.63 -0.81 0.52 0.00 0.00 175.17 175.37 1oq3 n PRO 52 N 5.06 0.43 -0.03 4.34 -0.04 -1.06 -0.06 135.00 143.64 1oq3 n PRO 52 Ca -0.13 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.26 1oq3 n PRO 52 Cb 0.50 -1.12 -0.06 0.00 -0.04 0.00 0.00 33.50 32.77 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 2.10 -0.07 0.01 0.55 0.00 -1.93 -3.38 119.26 116.54 1oq3 h ALA 53 Ca 0.00 -0.22 -0.28 0.00 0.00 0.00 0.00 54.91 54.41 1oq3 h ALA 53 Cb 0.00 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 1oq3 h ALA 53 CO 0.00 -0.08 -1.59 0.93 0.00 0.00 0.00 179.25 178.50 1oq3 h GLU 54 N -0.98 0.02 -2.77 0.00 3.07 -1.80 -3.49 114.58 108.64 1oq3 h GLU 54 Ca -0.01 -0.04 -0.18 0.00 -0.50 0.00 0.00 59.36 58.63 1oq3 h GLU 54 Cb 0.46 0.02 -0.31 0.00 -0.84 0.00 0.00 28.75 28.08 1oq3 h GLU 54 CO 0.01 0.64 -0.47 0.99 -1.40 0.00 0.00 179.01 178.78 1oq3 s THR 55 N -2.62 -0.42 0.00 1.13 2.01 0.91 -4.87 115.64 111.78 1oq3 s THR 55 Ca -0.05 0.23 0.00 0.00 0.31 0.00 0.00 61.69 62.18 1oq3 s THR 55 Cb 0.08 -0.50 0.00 0.00 0.01 0.00 0.00 72.50 72.09 1oq3 s THR 55 CO 0.82 0.10 0.00 0.61 -0.69 0.00 0.00 174.62 175.46 1oq3 n GLY 56 N 5.21 1.98 0.17 4.40 0.00 -1.26 -2.56 105.19 113.12 1oq3 n GLY 56 Ca -0.09 -0.89 0.07 0.00 0.00 0.00 0.00 46.02 45.10 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 -0.20 -0.17 2.61 5.66 -1.26 -0.19 114.28 120.72 1oq3 n THR 57 Ca 0.00 1.06 -0.11 0.00 -3.05 0.00 0.00 64.05 61.95 1oq3 n THR 57 Cb 0.00 -1.54 -0.07 0.00 -1.55 0.00 0.00 70.33 67.16 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 0.96 -0.57 -0.07 1.79 0.00 -2.01 0.79 119.26 120.15 1oq3 h ALA 58 Ca 0.29 0.05 -0.17 0.00 0.00 0.00 0.00 54.91 55.08 1oq3 h ALA 58 Cb 0.59 1.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.43 1oq3 h ALA 58 CO -0.45 -0.95 -0.70 0.00 0.00 0.00 0.00 179.25 177.15 1oq3 h ALA 59 N 0.27 0.67 0.20 0.00 0.00 -0.96 -3.32 119.26 116.10 1oq3 h ALA 59 Ca 0.12 -0.60 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 1oq3 h ALA 59 Cb 0.58 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1oq3 h ALA 59 CO -0.64 0.76 -0.09 0.82 0.00 0.00 0.00 179.25 180.10 1oq3 h ILE 60 N 0.24 0.90 -0.53 0.00 2.04 -0.58 -2.06 117.51 117.52 1oq3 h ILE 60 Ca -0.02 -0.64 0.11 0.00 1.00 0.00 0.00 64.86 65.30 1oq3 h ILE 60 Cb 1.26 1.28 -0.10 0.00 -0.74 0.00 0.00 36.82 38.51 1oq3 h ILE 60 CO 0.12 0.14 -0.14 1.56 0.00 0.00 0.00 178.15 179.83 1oq3 h GLN 61 N -0.59 -0.01 -0.96 2.37 7.50 -1.00 0.21 115.11 122.63 1oq3 h GLN 61 Ca -0.03 0.00 0.09 0.00 0.50 0.00 0.00 58.65 59.21 1oq3 h GLN 61 Cb 0.44 0.00 -0.12 0.00 0.05 0.00 0.00 27.48 27.85 1oq3 h GLN 61 CO 0.04 -0.01 -0.57 -1.91 -1.50 0.00 0.00 178.83 174.89 1oq3 n GLU 62 N -5.38 -0.42 -0.09 1.46 0.00 -1.12 -0.58 120.64 114.51 1oq3 n GLU 62 Ca 0.05 1.48 -0.14 0.00 0.00 0.00 0.00 57.16 58.54 1oq3 n GLU 62 Cb 0.28 -2.17 -0.04 0.00 0.00 0.00 0.00 31.44 29.51 1oq3 n GLU 62 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.13 178.00 1oq3 h LYS 63 N 0.00 0.87 -0.69 5.31 6.56 -0.53 -3.00 116.57 125.10 1oq3 h LYS 63 Ca 0.15 -0.52 0.11 0.00 -1.06 0.00 0.00 60.65 59.34 1oq3 h LYS 63 Cb 0.39 0.05 -0.08 0.00 -0.57 0.00 0.00 32.23 32.02 1oq3 h LYS 63 CO -0.90 1.16 0.29 0.82 -2.06 0.00 0.00 179.45 178.76 1oq3 h ILE 64 N 0.66 0.76 -0.61 1.86 1.08 0.16 0.29 117.51 121.71 1oq3 h ILE 64 Ca 0.03 -0.17 0.09 0.00 -0.39 0.00 0.00 64.86 64.43 1oq3 h ILE 64 Cb 1.07 0.23 -0.07 0.00 -3.07 0.00 0.00 36.82 34.98 1oq3 h ILE 64 CO 0.11 0.09 0.23 -0.33 -0.69 0.00 0.00 178.15 177.56 1oq3 h GLU 65 N 0.48 0.40 -0.64 2.37 4.39 -0.77 -2.17 114.58 118.65 1oq3 h GLU 65 Ca 0.36 -0.02 -0.09 0.00 0.34 0.00 0.00 59.36 59.95 1oq3 h GLU 65 Cb 0.46 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.99 1oq3 h GLU 65 CO -0.33 0.26 0.05 -0.22 -1.16 0.00 0.00 179.01 177.62 1oq3 h LYS 66 N 0.41 1.08 -0.20 2.33 1.63 -0.44 -0.01 116.57 121.37 1oq3 h LYS 66 Ca 0.31 -0.31 0.06 0.00 -0.85 0.00 0.00 60.65 59.85 1oq3 h LYS 66 Cb 0.38 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 31.89 1oq3 h LYS 66 CO -0.31 1.02 0.32 -0.07 -3.45 0.00 0.00 179.45 176.97 1oq3 h LEU 67 N 1.00 0.00 0.00 5.20 -0.00 -0.08 -3.45 115.31 117.98 1oq3 h LEU 67 Ca 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.07 1oq3 h LEU 67 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.16 1oq3 h LEU 67 CO 0.02 0.00 0.00 0.61 -0.00 0.00 0.00 178.44 179.07 1oq3 n GLY 68 N -1.36 1.72 3.39 0.83 0.00 -0.02 -5.01 105.19 104.75 1oq3 n GLY 68 Ca 0.02 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.89 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 1.20 -0.17 1.61 1.51 -0.97 -5.02 117.35 113.52 1oq3 s TYR 69 Ca 0.00 -1.35 0.00 0.00 -1.01 0.00 0.00 57.07 54.71 1oq3 s TYR 69 Cb 0.00 -0.31 0.03 0.00 -0.11 0.00 0.00 41.96 41.57 1oq3 s TYR 69 CO 0.00 -0.96 -0.11 -1.58 -1.11 0.00 0.00 175.55 171.79 1oq3 s HIS 70 N -3.45 2.11 -0.01 2.71 5.65 -1.17 -3.12 115.29 118.02 1oq3 s HIS 70 Ca 0.34 -1.29 -0.10 0.00 0.25 0.00 0.00 55.06 54.27 1oq3 s HIS 70 Cb 0.02 -1.53 -0.05 0.00 -1.18 0.00 0.00 32.58 29.84 1oq3 s HIS 70 CO 0.20 -0.67 0.31 0.54 -0.65 0.00 0.00 174.74 174.46 1oq3 s VAL 71 N 1.50 5.22 0.22 0.89 0.11 -1.26 -0.08 120.40 127.01 1oq3 s VAL 71 Ca 0.02 0.43 0.08 0.00 -2.93 0.00 0.00 61.98 59.58 1oq3 s VAL 71 Cb -0.14 -3.59 -0.04 0.00 -1.53 0.00 0.00 36.38 31.07 1oq3 s VAL 71 CO -0.09 0.46 0.05 0.68 -3.33 0.00 0.00 175.10 172.87 1oq3 s VAL 72 N -1.20 3.83 -0.70 2.04 -7.23 -0.19 -4.99 120.40 111.96 1oq3 s VAL 72 Ca 0.25 -1.57 0.05 0.00 -1.81 0.00 0.00 61.98 58.90 1oq3 s VAL 72 Cb -0.14 -3.00 0.22 0.00 0.56 0.00 0.00 36.38 34.02 1oq3 s VAL 72 CO 0.13 -0.25 0.68 -0.38 -0.31 0.00 0.00 175.10 174.97 1oq3 n ILE 73 N -0.62 2.23 -4.99 -0.62 2.08 -1.26 -3.63 119.36 112.56 1oq3 n ILE 73 Ca -0.08 -5.11 -0.32 0.00 0.56 0.00 0.00 62.75 57.80 1oq3 n ILE 73 Cb 0.57 -2.15 -0.15 0.00 -0.75 0.00 0.00 39.64 37.15 1oq3 n ILE 73 CO 0.00 0.00 0.00 -0.70 0.56 0.00 0.00 176.55 176.41 1oq3 s GLU 74 N -2.03 3.18 0.00 0.38 2.12 -1.26 -4.89 118.70 116.20 1oq3 s GLU 74 Ca 0.33 -0.78 0.00 0.00 0.36 0.00 0.00 54.97 54.88 1oq3 s GLU 74 Cb 0.06 -2.47 0.00 0.00 0.26 0.00 0.00 34.13 31.98 1oq3 s GLU 74 CO -0.08 0.22 0.00 0.41 -0.54 0.00 0.00 175.26 175.27 1oq3 n GLY 75 N 3.46 0.74 3.99 -1.50 0.00 -1.26 -4.59 105.19 106.03 1oq3 n GLY 75 Ca -0.18 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.50 1oq3 n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86