#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oq3 n LEU 2 N 0.00 -1.09 -4.05 4.03 4.77 -1.26 -4.97 117.00 114.43 1oq3 n LEU 2 Ca 0.00 -0.24 -0.17 0.00 -0.03 0.00 0.00 56.01 55.57 1oq3 n LEU 2 Cb 0.00 -0.78 -0.13 0.00 -2.33 0.00 0.00 43.42 40.17 1oq3 n LEU 2 CO 0.00 0.08 -0.43 -0.55 -1.33 0.00 0.00 177.39 175.16 1oq3 s SER 3 N -1.39 1.10 -0.12 -1.43 0.15 -1.26 -5.15 113.70 105.60 1oq3 s SER 3 Ca 0.12 -0.32 -0.25 0.00 0.70 0.00 0.00 55.95 56.20 1oq3 s SER 3 Cb -0.01 -0.07 0.06 0.00 -1.71 0.00 0.00 66.02 64.29 1oq3 s SER 3 CO 0.44 0.01 0.61 -1.83 1.20 0.00 0.00 173.24 173.67 1oq3 s GLU 4 N -0.77 0.87 0.85 5.44 1.03 -1.26 -5.18 118.70 119.69 1oq3 s GLU 4 Ca -0.00 0.46 -0.10 0.00 0.03 0.00 0.00 54.97 55.35 1oq3 s GLU 4 Cb -0.06 0.41 0.16 0.00 -0.80 0.00 0.00 34.13 33.85 1oq3 s GLU 4 CO 0.00 -0.21 1.18 1.14 -1.33 0.00 0.00 175.26 176.04 1oq3 s GLN 5 N -0.57 1.15 0.13 -4.83 -2.07 -1.26 -4.58 119.66 107.62 1oq3 s GLN 5 Ca -0.07 -0.65 -0.15 0.00 -1.82 0.00 0.00 55.36 52.68 1oq3 s GLN 5 Cb -0.03 -2.05 0.03 0.00 -1.09 0.00 0.00 33.01 29.87 1oq3 s GLN 5 CO 0.05 -1.97 0.37 0.21 -1.32 0.00 0.00 175.29 172.64 1oq3 s LYS 6 N -5.57 1.06 -0.10 9.60 2.20 -0.43 -5.00 119.74 121.50 1oq3 s LYS 6 Ca 0.70 -0.78 -0.25 0.00 -0.36 0.00 0.00 55.97 55.28 1oq3 s LYS 6 Cb -0.05 0.45 -0.03 0.00 -1.51 0.00 0.00 37.83 36.69 1oq3 s LYS 6 CO 0.49 -0.40 0.81 -1.83 -0.36 0.00 0.00 175.35 174.06 1oq3 s GLU 7 N -3.82 4.39 0.19 4.03 -1.05 -1.26 -1.70 118.70 119.48 1oq3 s GLU 7 Ca 0.04 1.04 0.07 0.00 -0.15 0.00 0.00 54.97 55.97 1oq3 s GLU 7 Cb 0.02 -3.51 -0.04 0.00 -0.44 0.00 0.00 34.13 30.16 1oq3 s GLU 7 CO -0.11 -0.14 0.07 -1.50 0.95 0.00 0.00 175.26 174.53 1oq3 s ILE 8 N 1.47 4.03 -0.12 1.83 1.10 0.00 -4.97 121.20 124.54 1oq3 s ILE 8 Ca 0.40 -1.36 -0.11 0.00 -0.51 0.00 0.00 60.65 59.07 1oq3 s ILE 8 Cb -0.18 -3.07 0.03 0.00 0.15 0.00 0.00 42.46 39.40 1oq3 s ILE 8 CO 0.17 -0.16 0.32 0.00 -2.11 0.00 0.00 174.94 173.16 1oq3 s ALA 9 N -1.84 -0.79 0.26 1.50 0.00 -1.26 -0.80 121.76 118.83 1oq3 s ALA 9 Ca 0.30 0.88 -0.19 0.00 0.00 0.00 0.00 51.96 52.95 1oq3 s ALA 9 Cb -0.09 -0.51 0.02 0.00 0.00 0.00 0.00 23.12 22.54 1oq3 s ALA 9 CO 0.21 -0.15 0.65 0.00 0.00 0.00 0.00 175.76 176.46 1oq3 s MET 10 N 0.13 1.69 0.40 0.00 0.23 -0.52 -4.99 119.30 116.24 1oq3 s MET 10 Ca -0.00 -1.03 -0.14 0.00 -1.03 0.00 0.00 55.69 53.49 1oq3 s MET 10 Cb -0.02 0.57 -0.08 0.00 -1.53 0.00 0.00 34.83 33.77 1oq3 s MET 10 CO 0.01 -0.76 0.81 -0.65 -2.03 0.00 0.00 175.02 172.40 1oq3 s GLN 11 N -3.94 3.91 -0.01 3.16 1.11 -1.25 -1.23 119.66 121.41 1oq3 s GLN 11 Ca 0.13 0.67 0.03 0.00 0.01 0.00 0.00 55.36 56.20 1oq3 s GLN 11 Cb -0.04 -2.34 -0.01 0.00 -1.01 0.00 0.00 33.01 29.61 1oq3 s GLN 11 CO 0.06 -0.02 -0.11 0.08 0.01 0.00 0.00 175.29 175.31 1oq3 s VAL 12 N -2.28 0.90 -0.14 1.09 1.01 -1.11 -1.45 120.40 118.42 1oq3 s VAL 12 Ca 0.54 -0.47 -0.07 0.00 0.00 0.00 0.00 61.98 61.98 1oq3 s VAL 12 Cb -0.10 -0.76 -0.04 0.00 0.00 0.00 0.00 36.38 35.47 1oq3 s VAL 12 CO 0.26 0.26 0.11 -0.55 0.00 0.00 0.00 175.10 175.18 1oq3 s SER 13 N -0.17 6.13 0.00 3.32 0.15 0.18 -4.24 113.70 119.08 1oq3 s SER 13 Ca 0.03 0.34 0.00 0.00 0.70 0.00 0.00 55.95 57.01 1oq3 s SER 13 Cb -0.05 -1.99 0.00 0.00 -1.71 0.00 0.00 66.02 62.26 1oq3 s SER 13 CO -0.00 0.33 0.00 0.61 1.20 0.00 0.00 173.24 175.38 1oq3 n GLY 14 N 2.50 0.77 3.45 9.45 0.00 -1.26 -3.28 105.19 116.82 1oq3 n GLY 14 Ca -0.19 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.38 1oq3 n GLY 14 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1oq3 n MET 15 N -1.46 0.43 -0.16 1.61 0.00 -1.26 -4.79 117.12 111.49 1oq3 n MET 15 Ca 0.00 0.06 0.05 0.00 0.00 0.00 0.00 57.70 57.82 1oq3 n MET 15 Cb 0.00 -2.07 0.13 0.00 0.00 0.00 0.00 33.22 31.28 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 7.35 1.40 -3.92 1.12 -2.24 -1.26 -5.07 114.28 111.66 1oq3 n THR 16 Ca 0.53 -1.37 0.00 0.00 -2.27 0.00 0.00 64.05 60.94 1oq3 n THR 16 Cb 0.16 0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.62 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 6.17 0.00 -1.94 0.00 0.00 -1.26 -0.59 120.51 122.89 1oq3 n ALA 18 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1oq3 n ALA 18 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 1.39 1.85 0.19 0.00 0.00 -1.26 -5.00 120.51 117.68 1oq3 n ALA 19 Ca 0.00 -0.34 -0.09 0.00 0.00 0.00 0.00 53.44 53.02 1oq3 n ALA 19 Cb 0.00 -0.15 -0.04 0.00 0.00 0.00 0.00 19.45 19.25 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 -1.09 1.96 -0.31 0.00 0.00 -1.91 0.13 119.26 118.03 1oq3 h ALA 21 Ca -0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1oq3 h ALA 21 Cb 0.45 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1oq3 h ALA 21 CO 0.09 -0.09 0.20 0.00 0.00 0.00 0.00 179.25 179.45 1oq3 h ALA 22 N 1.68 0.39 -0.60 0.00 0.00 -1.88 -2.16 119.26 116.68 1oq3 h ALA 22 Ca 0.29 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.23 1oq3 h ALA 22 Cb 0.50 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 1oq3 h ALA 22 CO -0.08 -0.15 0.33 0.00 0.00 0.00 0.00 179.25 179.35 1oq3 h ARG 23 N 0.41 0.61 -0.28 0.00 3.08 0.82 0.98 114.38 120.00 1oq3 h ARG 23 Ca 0.11 -0.04 0.04 0.00 0.07 0.00 0.00 59.98 60.17 1oq3 h ARG 23 Cb -0.04 -0.14 -0.07 0.00 0.08 0.00 0.00 29.97 29.81 1oq3 h ARG 23 CO -0.03 0.41 -0.49 0.82 -1.07 0.00 0.00 179.97 179.60 1oq3 h ILE 24 N 0.63 0.00 -0.13 2.04 2.04 -0.75 0.54 117.51 121.88 1oq3 h ILE 24 Ca 0.26 0.00 -0.17 0.00 1.00 0.00 0.00 64.86 65.96 1oq3 h ILE 24 Cb 0.14 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.21 1oq3 h ILE 24 CO -0.16 0.00 -0.63 -0.08 0.00 0.00 0.00 178.15 177.28 1oq3 h GLU 25 N -0.41 0.47 -0.69 2.37 4.57 -1.20 -2.40 114.58 117.30 1oq3 h GLU 25 Ca 0.05 -0.33 0.07 0.00 -1.18 0.00 0.00 59.36 57.97 1oq3 h GLU 25 Cb 0.55 0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 29.15 1oq3 h GLU 25 CO -0.48 0.95 0.45 0.87 -1.18 0.00 0.00 179.01 179.62 1oq3 h LYS 26 N 0.34 0.65 -0.44 1.92 1.79 -0.49 0.27 116.57 120.62 1oq3 h LYS 26 Ca -0.01 -0.04 0.09 0.00 -2.18 0.00 0.00 60.65 58.51 1oq3 h LYS 26 Cb 1.18 -0.15 -0.10 0.00 -1.58 0.00 0.00 32.23 31.58 1oq3 h LYS 26 CO 0.11 0.43 -0.29 0.78 -1.08 0.00 0.00 179.45 179.40 1oq3 h GLY 27 N 0.67 -0.12 1.90 3.86 0.00 -0.37 -1.53 103.07 107.49 1oq3 h GLY 27 Ca 0.30 0.37 -0.06 0.00 0.00 0.00 0.00 47.33 47.95 1oq3 h GLY 27 CO -0.10 -0.21 -0.21 1.41 0.00 0.00 0.00 176.54 177.43 1oq3 h LEU 28 N -0.20 0.11 -2.20 3.11 3.38 -0.50 -0.52 115.31 118.50 1oq3 h LEU 28 Ca 0.19 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1oq3 h LEU 28 Cb 0.52 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1oq3 h LEU 28 CO -0.55 0.34 0.05 0.50 0.09 0.00 0.00 178.44 178.87 1oq3 h LYS 29 N 0.11 0.00 0.00 1.13 3.64 0.26 0.20 116.57 121.91 1oq3 h LYS 29 Ca 0.02 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1oq3 h LYS 29 Cb 0.44 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.26 1oq3 h LYS 29 CO 0.03 0.00 -0.02 0.00 -2.27 0.00 0.00 179.45 177.19 1oq3 h ARG 30 N 0.00 0.00 -6.73 1.90 -0.00 -0.76 -3.47 114.38 105.32 1oq3 h ARG 30 Ca 0.00 0.00 -0.51 0.00 -0.50 0.00 0.00 59.98 58.97 1oq3 h ARG 30 Cb 0.10 0.00 0.01 0.00 0.00 0.00 0.00 29.97 30.08 1oq3 h ARG 30 CO 0.00 0.02 0.49 -1.64 0.00 0.00 0.00 179.97 178.85 1oq3 s MET 31 N -3.22 4.59 -0.88 0.04 -1.94 0.69 -4.90 119.30 113.67 1oq3 s MET 31 Ca 0.07 1.79 -0.25 0.00 -1.71 0.00 0.00 55.69 55.59 1oq3 s MET 31 Cb 0.05 -3.23 -0.04 0.00 2.01 0.00 0.00 34.83 33.63 1oq3 s MET 31 CO 0.67 0.10 1.90 -1.25 -0.01 0.00 0.00 175.02 176.43 1oq3 s PRO 32 N -0.83 2.63 0.00 2.03 0.04 -1.26 -1.91 135.00 135.70 1oq3 s PRO 32 Ca 0.48 -0.24 0.00 0.00 0.04 0.00 0.00 61.00 61.27 1oq3 s PRO 32 Cb -0.31 -5.00 0.00 0.00 0.04 0.00 0.00 34.50 29.23 1oq3 s PRO 32 CO 0.38 -3.22 0.00 0.41 0.04 0.00 0.00 177.00 174.61 1oq3 n GLY 33 N 6.72 0.56 3.73 0.56 0.00 -1.26 -4.41 105.19 111.09 1oq3 n GLY 33 Ca 0.37 0.00 -0.31 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 2.83 0.09 1.61 0.11 -0.80 -0.63 120.40 123.61 1oq3 s VAL 34 Ca 0.00 0.28 0.00 0.00 -2.93 0.00 0.00 61.98 59.33 1oq3 s VAL 34 Cb 0.00 -2.60 0.00 0.00 -1.53 0.00 0.00 36.38 32.25 1oq3 s VAL 34 CO 0.00 -0.35 0.00 0.41 -3.33 0.00 0.00 175.10 171.83 1oq3 n THR 35 N -3.73 0.63 -3.94 5.04 -1.04 0.26 -4.88 114.28 106.61 1oq3 n THR 35 Ca 0.10 0.21 -0.09 0.00 -2.04 0.00 0.00 64.05 62.23 1oq3 n THR 35 Cb 0.53 -1.33 -0.09 0.00 -1.82 0.00 0.00 70.33 67.61 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 -5.50 0.23 -0.03 8.00 2.15 -1.09 -5.02 116.67 115.41 1oq3 s ASP 36 Ca 0.00 -0.66 0.01 0.00 0.43 0.00 0.00 52.55 52.33 1oq3 s ASP 36 Cb 0.00 0.25 0.02 0.00 -0.30 0.00 0.00 42.92 42.89 1oq3 s ASP 36 CO 0.00 -0.58 -0.01 0.00 -0.17 0.00 0.00 175.17 174.41 1oq3 s ALA 37 N -3.17 0.35 -0.09 3.66 0.00 -1.26 -0.35 121.76 120.90 1oq3 s ALA 37 Ca -0.00 0.10 -0.02 0.00 0.00 0.00 0.00 51.96 52.04 1oq3 s ALA 37 Cb 0.02 -0.29 0.04 0.00 0.00 0.00 0.00 23.12 22.88 1oq3 s ALA 37 CO -0.07 -0.04 0.03 -0.80 0.00 0.00 0.00 175.76 174.88 1oq3 s ASN 38 N 0.85 1.72 0.17 0.00 0.01 0.10 -4.97 114.94 112.82 1oq3 s ASN 38 Ca -0.09 -0.19 -0.25 0.00 -0.71 0.00 0.00 52.86 51.63 1oq3 s ASN 38 Cb -0.12 -0.36 -0.08 0.00 0.41 0.00 0.00 41.25 41.09 1oq3 s ASN 38 CO -0.01 -0.24 0.77 0.54 -1.51 0.00 0.00 177.10 176.65 1oq3 s VAL 39 N 2.02 4.39 -0.49 1.60 0.11 -1.26 -0.87 120.40 125.91 1oq3 s VAL 39 Ca 0.04 1.65 0.08 0.00 -2.93 0.00 0.00 61.98 60.81 1oq3 s VAL 39 Cb -0.13 -4.10 0.30 0.00 -1.53 0.00 0.00 36.38 30.92 1oq3 s VAL 39 CO -0.05 0.48 0.73 -3.20 -3.33 0.00 0.00 175.10 169.73 1oq3 n ASN 40 N 1.47 2.25 0.17 3.54 5.15 0.11 -4.94 115.26 123.02 1oq3 n ASN 40 Ca -0.05 -3.20 0.12 0.00 -0.60 0.00 0.00 54.58 50.85 1oq3 n ASN 40 Cb 0.49 -0.62 0.59 0.00 -0.53 0.00 0.00 39.78 39.71 1oq3 n ASN 40 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1oq3 h LEU 41 N 3.54 0.00 -1.99 1.20 3.38 -1.92 0.38 115.31 119.89 1oq3 h LEU 41 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1oq3 h LEU 41 Cb 0.76 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.51 1oq3 h LEU 41 CO 0.65 0.00 0.34 0.00 0.09 0.00 0.00 178.44 179.52 1oq3 h ALA 42 N 2.10 1.35 0.00 1.53 0.00 -1.92 -1.26 119.26 121.06 1oq3 h ALA 42 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1oq3 h ALA 42 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1oq3 h ALA 42 CO 0.00 -0.34 -0.31 2.41 0.00 0.00 0.00 179.25 181.01 1oq3 n THR 43 N -2.90 0.49 -3.31 0.00 -1.04 0.07 -5.00 114.28 102.60 1oq3 n THR 43 Ca -0.02 -0.58 -0.21 0.00 -2.04 0.00 0.00 64.05 61.19 1oq3 n THR 43 Cb 0.39 0.37 -0.01 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 -0.36 -2.93 -4.17 -2.82 4.71 -0.48 -4.91 120.64 109.68 1oq3 n GLU 44 Ca 0.04 0.38 -0.16 0.00 -0.01 0.00 0.00 57.16 57.41 1oq3 n GLU 44 Cb 0.65 -5.04 -0.11 0.00 -1.01 0.00 0.00 31.44 25.93 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 -2.81 0.96 0.03 2.62 2.01 -0.89 -2.73 115.64 114.83 1oq3 s THR 45 Ca 0.36 -1.48 0.00 0.00 0.31 0.00 0.00 61.69 60.88 1oq3 s THR 45 Cb -0.20 -1.20 -0.03 0.00 0.01 0.00 0.00 72.50 71.09 1oq3 s THR 45 CO 0.45 -0.44 -0.04 0.54 -0.69 0.00 0.00 174.62 174.44 1oq3 s VAL 46 N -1.97 0.22 0.15 3.82 0.11 -0.37 0.09 120.40 122.46 1oq3 s VAL 46 Ca 0.02 -1.23 0.10 0.00 -2.93 0.00 0.00 61.98 57.94 1oq3 s VAL 46 Cb -0.06 -0.72 -0.04 0.00 -1.53 0.00 0.00 36.38 34.03 1oq3 s VAL 46 CO 0.01 -0.64 -0.21 0.54 -3.33 0.00 0.00 175.10 171.47 1oq3 s ASN 47 N -1.95 3.65 -0.05 3.54 4.22 -0.05 -1.44 114.94 122.85 1oq3 s ASN 47 Ca -0.08 -0.70 -0.03 0.00 -2.14 0.00 0.00 52.86 49.91 1oq3 s ASN 47 Cb -0.04 -0.39 0.02 0.00 1.28 0.00 0.00 41.25 42.11 1oq3 s ASN 47 CO -0.03 0.15 0.12 0.54 -2.04 0.00 0.00 177.10 175.84 1oq3 s VAL 48 N -1.34 -0.02 -0.32 3.54 0.11 0.02 -0.72 120.40 121.67 1oq3 s VAL 48 Ca 0.18 0.07 -0.12 0.00 -2.93 0.00 0.00 61.98 59.19 1oq3 s VAL 48 Cb -0.09 -0.19 -0.02 0.00 -1.53 0.00 0.00 36.38 34.54 1oq3 s VAL 48 CO 0.10 0.03 0.21 -0.63 -3.33 0.00 0.00 175.10 171.47 1oq3 s ILE 49 N 0.50 5.13 0.18 7.04 1.01 0.53 -0.82 121.20 134.77 1oq3 s ILE 49 Ca -0.04 -0.16 -0.06 0.00 0.00 0.00 0.00 60.65 60.40 1oq3 s ILE 49 Cb -0.05 -3.58 -0.02 0.00 0.01 0.00 0.00 42.46 38.81 1oq3 s ILE 49 CO -0.02 0.08 0.22 -0.72 0.00 0.00 0.00 174.94 174.50 1oq3 s TYR 50 N 1.71 0.72 -0.32 3.97 -0.85 -0.69 -0.58 117.35 121.31 1oq3 s TYR 50 Ca 0.06 -1.04 -0.10 0.00 -0.52 0.00 0.00 57.07 55.47 1oq3 s TYR 50 Cb -0.17 -0.25 -0.01 0.00 0.38 0.00 0.00 41.96 41.91 1oq3 s TYR 50 CO 0.10 -0.70 0.17 0.34 -1.52 0.00 0.00 175.55 173.94 1oq3 s ASP 51 N -3.05 5.67 0.00 -0.18 -1.08 0.19 -1.31 116.67 116.91 1oq3 s ASP 51 Ca 0.26 -0.48 0.02 0.00 -0.52 0.00 0.00 52.55 51.83 1oq3 s ASP 51 Cb 0.05 -2.03 0.11 0.00 -1.46 0.00 0.00 42.92 39.58 1oq3 s ASP 51 CO 0.05 -0.20 0.59 -0.81 0.52 0.00 0.00 175.17 175.33 1oq3 n PRO 52 N 5.01 0.50 -0.05 4.34 -0.04 -1.09 -0.28 135.00 143.38 1oq3 n PRO 52 Ca -0.14 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.17 1oq3 n PRO 52 Cb 0.49 -1.06 -0.13 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 2.11 -0.01 0.03 0.55 0.00 -1.94 -3.40 119.26 116.60 1oq3 h ALA 53 Ca 0.00 -0.52 -0.36 0.00 0.00 0.00 0.00 54.91 54.03 1oq3 h ALA 53 Cb 0.00 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 1oq3 h ALA 53 CO 0.00 0.05 -2.22 0.39 0.00 0.00 0.00 179.25 177.47 1oq3 n GLU 54 N -4.54 0.68 -3.75 0.00 -0.58 -1.02 -5.03 120.64 106.41 1oq3 n GLU 54 Ca -0.10 0.16 -0.14 0.00 -0.42 0.00 0.00 57.16 56.66 1oq3 n GLU 54 Cb 0.52 -1.61 -0.15 0.00 -0.57 0.00 0.00 31.44 29.63 1oq3 n GLU 54 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 1oq3 s THR 55 N -2.53 -0.07 0.00 2.62 2.01 0.61 -4.88 115.64 113.39 1oq3 s THR 55 Ca -0.22 0.21 0.00 0.00 0.31 0.00 0.00 61.69 62.00 1oq3 s THR 55 Cb 0.08 -0.19 0.00 0.00 0.01 0.00 0.00 72.50 72.40 1oq3 s THR 55 CO 0.73 0.09 0.00 0.61 -0.69 0.00 0.00 174.62 175.36 1oq3 n GLY 56 N 4.31 2.42 0.22 4.40 0.00 -1.26 -2.67 105.19 112.61 1oq3 n GLY 56 Ca -0.25 -0.76 0.14 0.00 0.00 0.00 0.00 46.02 45.16 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 -0.27 -0.01 2.61 5.66 -1.26 -0.36 114.28 120.65 1oq3 n THR 57 Ca 0.00 1.37 -0.12 0.00 -3.05 0.00 0.00 64.05 62.25 1oq3 n THR 57 Cb 0.00 -2.10 -0.06 0.00 -1.55 0.00 0.00 70.33 66.62 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 1.29 -0.59 -0.13 1.79 0.00 -2.00 0.28 119.26 119.89 1oq3 h ALA 58 Ca 0.46 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 55.13 1oq3 h ALA 58 Cb 1.09 0.80 0.01 0.00 0.00 0.00 0.00 17.79 19.69 1oq3 h ALA 58 CO -0.56 -0.93 -0.82 0.00 0.00 0.00 0.00 179.25 176.94 1oq3 h ALA 59 N 0.12 0.29 0.29 0.00 0.00 -1.09 -3.30 119.26 115.56 1oq3 h ALA 59 Ca 0.08 -0.62 -0.01 0.00 0.00 0.00 0.00 54.91 54.36 1oq3 h ALA 59 Cb 0.63 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1oq3 h ALA 59 CO -0.41 0.69 -0.14 0.82 0.00 0.00 0.00 179.25 180.21 1oq3 h ILE 60 N 0.51 0.75 -0.27 0.00 2.04 -0.76 -1.02 117.51 118.77 1oq3 h ILE 60 Ca -0.07 -0.35 0.06 0.00 1.00 0.00 0.00 64.86 65.50 1oq3 h ILE 60 Cb 1.46 0.95 -0.07 0.00 -0.74 0.00 0.00 36.82 38.42 1oq3 h ILE 60 CO 0.17 0.08 -0.17 1.56 0.00 0.00 0.00 178.15 179.79 1oq3 h GLN 61 N -0.57 -0.14 -0.54 2.37 7.50 -1.10 0.14 115.11 122.77 1oq3 h GLN 61 Ca -0.04 0.01 0.10 0.00 0.50 0.00 0.00 58.65 59.22 1oq3 h GLN 61 Cb 0.42 0.03 -0.11 0.00 0.05 0.00 0.00 27.48 27.87 1oq3 h GLN 61 CO 0.06 -0.09 -0.34 1.49 -1.50 0.00 0.00 178.83 178.45 1oq3 h GLU 62 N -0.14 -0.18 -0.34 1.46 4.22 -1.58 0.30 114.58 118.31 1oq3 h GLU 62 Ca 0.15 0.01 -0.09 0.00 0.08 0.00 0.00 59.36 59.51 1oq3 h GLU 62 Cb 0.36 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 1oq3 h GLU 62 CO -0.36 -0.12 -0.14 -0.22 -2.18 0.00 0.00 179.01 175.99 1oq3 h LYS 63 N -0.19 0.69 -0.64 1.92 1.63 -0.66 -3.15 116.57 116.17 1oq3 h LYS 63 Ca 0.21 -0.29 0.10 0.00 -0.85 0.00 0.00 60.65 59.81 1oq3 h LYS 63 Cb 0.55 -0.02 -0.07 0.00 -0.60 0.00 0.00 32.23 32.08 1oq3 h LYS 63 CO -0.65 0.89 0.26 0.82 -3.45 0.00 0.00 179.45 177.33 1oq3 h ILE 64 N 0.47 0.78 -0.67 2.00 1.08 0.29 0.24 117.51 121.71 1oq3 h ILE 64 Ca 0.08 -0.16 0.14 0.00 -0.39 0.00 0.00 64.86 64.53 1oq3 h ILE 64 Cb 0.67 0.28 -0.11 0.00 -3.07 0.00 0.00 36.82 34.59 1oq3 h ILE 64 CO 0.05 0.08 0.03 -0.33 -0.69 0.00 0.00 178.15 177.29 1oq3 h GLU 65 N 0.46 0.14 -0.00 2.37 4.39 -0.94 -1.31 114.58 119.68 1oq3 h GLU 65 Ca 0.32 -0.01 -0.13 0.00 0.34 0.00 0.00 59.36 59.89 1oq3 h GLU 65 Cb 0.39 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.99 1oq3 h GLU 65 CO -0.30 0.09 -0.60 -0.22 -1.16 0.00 0.00 179.01 176.82 1oq3 h LYS 66 N 0.14 0.00 -0.19 2.33 3.64 -0.65 0.11 116.57 121.95 1oq3 h LYS 66 Ca 0.36 -0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.79 1oq3 h LYS 66 Cb 0.59 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.41 1oq3 h LYS 66 CO -0.55 0.60 0.34 -0.07 -2.27 0.00 0.00 179.45 177.50 1oq3 h LEU 67 N 0.00 0.00 0.00 5.20 -0.00 0.32 -3.45 115.31 117.38 1oq3 h LEU 67 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.87 1oq3 h LEU 67 Cb 1.06 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.72 1oq3 h LEU 67 CO 0.08 0.00 0.00 0.61 -0.00 0.00 0.00 178.44 179.13 1oq3 n GLY 68 N -1.35 1.71 3.14 0.83 0.00 0.02 -4.99 105.19 104.55 1oq3 n GLY 68 Ca 0.02 -0.11 -0.09 0.00 0.00 0.00 0.00 46.02 45.84 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 0.79 -0.15 1.61 1.51 -1.09 -5.02 117.35 112.99 1oq3 s TYR 69 Ca 0.00 -1.20 0.01 0.00 -1.01 0.00 0.00 57.07 54.87 1oq3 s TYR 69 Cb 0.00 -0.46 0.02 0.00 -0.11 0.00 0.00 41.96 41.41 1oq3 s TYR 69 CO 0.00 -0.49 -0.17 -3.38 -1.11 0.00 0.00 175.55 170.40 1oq3 s HIS 70 N -4.02 2.42 0.48 2.71 -3.43 -1.21 -3.20 115.29 109.05 1oq3 s HIS 70 Ca 0.20 -1.35 -0.06 0.00 -0.80 0.00 0.00 55.06 53.05 1oq3 s HIS 70 Cb 0.08 -1.72 -0.04 0.00 -1.43 0.00 0.00 32.58 29.47 1oq3 s HIS 70 CO -0.01 -0.69 0.80 0.54 -2.00 0.00 0.00 174.74 173.38 1oq3 s VAL 71 N 1.28 4.89 -0.36 -5.38 0.11 -1.26 -0.65 120.40 119.03 1oq3 s VAL 71 Ca 0.02 0.29 0.00 0.00 -2.93 0.00 0.00 61.98 59.36 1oq3 s VAL 71 Cb -0.13 -3.85 0.12 0.00 -1.53 0.00 0.00 36.38 30.98 1oq3 s VAL 71 CO -0.09 -0.83 0.16 0.68 -3.33 0.00 0.00 175.10 171.69 1oq3 s VAL 72 N -2.72 0.87 -0.65 2.04 -7.23 -0.53 -4.91 120.40 107.27 1oq3 s VAL 72 Ca 0.48 -1.79 -0.18 0.00 -1.81 0.00 0.00 61.98 58.68 1oq3 s VAL 72 Cb -0.10 -1.64 0.12 0.00 0.56 0.00 0.00 36.38 35.32 1oq3 s VAL 72 CO 0.44 -0.80 0.74 -0.63 -0.31 0.00 0.00 175.10 174.53 1oq3 s ILE 73 N 1.15 4.95 -0.07 -0.62 1.01 -1.26 -3.87 121.20 122.48 1oq3 s ILE 73 Ca 0.14 -1.30 -0.04 0.00 0.00 0.00 0.00 60.65 59.45 1oq3 s ILE 73 Cb -0.20 -4.50 0.04 0.00 0.01 0.00 0.00 42.46 37.80 1oq3 s ILE 73 CO -0.13 -1.13 0.17 -0.70 0.00 0.00 0.00 174.94 173.14 1oq3 s GLU 74 N 2.26 0.13 0.00 2.79 2.12 -1.26 -4.99 118.70 119.74 1oq3 s GLU 74 Ca 0.14 0.37 0.00 0.00 0.36 0.00 0.00 54.97 55.84 1oq3 s GLU 74 Cb -0.21 -0.12 0.00 0.00 0.26 0.00 0.00 34.13 34.06 1oq3 s GLU 74 CO 0.02 -0.14 0.00 0.41 -0.54 0.00 0.00 175.26 175.01 1oq3 n GLY 75 N 4.00 3.44 0.00 -1.50 0.00 -1.26 -5.06 105.19 104.80 1oq3 n GLY 75 Ca -0.24 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.28 1oq3 n GLY 75 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19