#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 1.69 0.22 4.03 0.05 -1.26 -5.08 118.68 118.32 1oq3 s LEU 2 Ca 0.00 1.72 0.09 0.00 0.05 0.00 0.00 54.13 55.99 1oq3 s LEU 2 Cb 0.00 -3.86 -0.05 0.00 -2.05 0.00 0.00 46.19 40.24 1oq3 s LEU 2 CO 0.00 -3.62 -0.16 -0.55 -0.55 0.00 0.00 176.35 171.47 1oq3 s SER 3 N -2.72 2.83 -0.15 1.48 0.15 -1.26 -5.16 113.70 108.88 1oq3 s SER 3 Ca 0.67 -1.01 -0.24 0.00 0.70 0.00 0.00 55.95 56.07 1oq3 s SER 3 Cb -0.23 -0.18 0.06 0.00 -1.71 0.00 0.00 66.02 63.96 1oq3 s SER 3 CO 0.61 -0.11 0.61 -0.70 1.20 0.00 0.00 173.24 174.86 1oq3 s GLU 4 N -3.54 0.84 0.65 5.44 2.12 -1.26 -5.13 118.70 117.81 1oq3 s GLU 4 Ca 0.24 0.55 -0.08 0.00 0.36 0.00 0.00 54.97 56.04 1oq3 s GLU 4 Cb -0.02 0.40 0.02 0.00 0.26 0.00 0.00 34.13 34.79 1oq3 s GLU 4 CO 0.09 -0.18 0.99 1.14 -0.54 0.00 0.00 175.26 176.75 1oq3 s GLN 5 N -0.37 2.71 0.12 4.30 -2.07 -1.26 -4.37 119.66 118.72 1oq3 s GLN 5 Ca -0.05 0.06 -0.16 0.00 -1.82 0.00 0.00 55.36 53.39 1oq3 s GLN 5 Cb -0.03 -2.17 0.03 0.00 -1.09 0.00 0.00 33.01 29.75 1oq3 s GLN 5 CO 0.04 -0.93 0.40 0.15 -1.32 0.00 0.00 175.29 173.63 1oq3 s LYS 6 N -5.16 1.05 -0.15 9.60 1.02 -0.11 -4.99 119.74 121.00 1oq3 s LYS 6 Ca 0.57 -0.68 -0.25 0.00 0.02 0.00 0.00 55.97 55.63 1oq3 s LYS 6 Cb -0.11 0.46 -0.02 0.00 -0.52 0.00 0.00 37.83 37.64 1oq3 s LYS 6 CO 0.47 -0.40 0.80 -1.83 -0.92 0.00 0.00 175.35 173.47 1oq3 s GLU 7 N -3.66 4.32 0.04 1.68 -1.05 -1.26 -1.23 118.70 117.54 1oq3 s GLU 7 Ca 0.02 0.99 0.01 0.00 -0.15 0.00 0.00 54.97 55.84 1oq3 s GLU 7 Cb 0.02 -3.55 -0.04 0.00 -0.44 0.00 0.00 34.13 30.12 1oq3 s GLU 7 CO -0.11 -0.25 0.10 -1.50 0.95 0.00 0.00 175.26 174.45 1oq3 s ILE 8 N 1.87 4.77 -0.05 1.83 1.10 -0.01 -4.97 121.20 125.73 1oq3 s ILE 8 Ca 0.38 -0.54 0.01 0.00 -0.51 0.00 0.00 60.65 59.99 1oq3 s ILE 8 Cb -0.17 -3.25 0.02 0.00 0.15 0.00 0.00 42.46 39.21 1oq3 s ILE 8 CO 0.14 0.23 -0.06 0.00 -2.11 0.00 0.00 174.94 173.14 1oq3 s ALA 9 N -1.32 0.77 0.26 1.50 0.00 -1.26 -0.75 121.76 120.97 1oq3 s ALA 9 Ca 0.27 -0.12 -0.16 0.00 0.00 0.00 0.00 51.96 51.95 1oq3 s ALA 9 Cb -0.12 -0.46 0.01 0.00 0.00 0.00 0.00 23.12 22.55 1oq3 s ALA 9 CO 0.19 -0.01 0.59 0.00 0.00 0.00 0.00 175.76 176.53 1oq3 s MET 10 N 0.91 1.66 0.09 0.00 0.23 -0.57 -4.79 119.30 116.83 1oq3 s MET 10 Ca -0.11 -1.15 -0.04 0.00 -1.03 0.00 0.00 55.69 53.36 1oq3 s MET 10 Cb -0.14 0.53 -0.05 0.00 -1.53 0.00 0.00 34.83 33.64 1oq3 s MET 10 CO 0.00 -0.73 0.31 -0.65 -2.03 0.00 0.00 175.02 171.93 1oq3 s GLN 11 N -3.95 3.57 0.26 3.16 1.11 -1.24 -1.15 119.66 121.42 1oq3 s GLN 11 Ca 0.18 -0.17 0.10 0.00 0.01 0.00 0.00 55.36 55.48 1oq3 s GLN 11 Cb -0.03 -2.95 -0.05 0.00 -1.01 0.00 0.00 33.01 28.97 1oq3 s GLN 11 CO 0.08 0.55 -0.17 0.08 0.01 0.00 0.00 175.29 175.84 1oq3 s VAL 12 N -1.53 2.23 0.15 1.09 1.01 -1.25 -1.00 120.40 121.09 1oq3 s VAL 12 Ca 0.36 -2.33 -0.06 0.00 0.00 0.00 0.00 61.98 59.96 1oq3 s VAL 12 Cb -0.13 -2.26 -0.06 0.00 0.00 0.00 0.00 36.38 33.93 1oq3 s VAL 12 CO 0.24 -0.43 0.40 -0.55 0.00 0.00 0.00 175.10 174.75 1oq3 s SER 13 N -3.46 6.52 -0.18 3.32 0.15 -0.30 -4.83 113.70 114.92 1oq3 s SER 13 Ca 0.28 0.64 -0.06 0.00 0.70 0.00 0.00 55.95 57.52 1oq3 s SER 13 Cb -0.03 -2.11 0.01 0.00 -1.71 0.00 0.00 66.02 62.17 1oq3 s SER 13 CO 0.13 0.04 0.21 0.61 1.20 0.00 0.00 173.24 175.43 1oq3 n GLY 14 N 0.12 -1.52 3.40 9.45 0.00 -1.26 -4.50 105.19 110.87 1oq3 n GLY 14 Ca -0.02 0.40 -0.16 0.00 0.00 0.00 0.00 46.02 46.24 1oq3 n GLY 14 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1oq3 s MET 15 N -1.49 1.81 -1.51 1.61 0.00 -1.26 -4.35 119.30 114.11 1oq3 s MET 15 Ca 0.09 -1.85 -0.06 0.00 0.00 0.00 0.00 55.69 53.87 1oq3 s MET 15 Cb -0.02 0.39 0.02 0.00 0.00 0.00 0.00 34.83 35.21 1oq3 s MET 15 CO 0.34 -0.72 0.60 2.41 0.00 0.00 0.00 175.02 177.66 1oq3 n THR 16 N -0.57 -1.85 -3.12 3.16 -1.04 -1.26 -4.90 114.28 104.70 1oq3 n THR 16 Ca 0.04 0.00 -0.19 0.00 -2.04 0.00 0.00 64.05 61.85 1oq3 n THR 16 Cb 0.62 -3.19 -0.03 0.00 -1.82 0.00 0.00 70.33 65.91 1oq3 n THR 16 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1oq3 n ALA 18 N 0.16 -3.11 -2.62 0.00 0.00 -1.26 -4.23 120.51 109.46 1oq3 n ALA 18 Ca 0.26 0.86 -0.20 0.00 0.00 0.00 0.00 53.44 54.36 1oq3 n ALA 18 Cb 0.62 -2.66 0.00 0.00 0.00 0.00 0.00 19.45 17.41 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 -0.13 -0.76 0.21 0.00 0.00 -1.26 -4.91 120.51 113.66 1oq3 n ALA 19 Ca 0.08 0.18 -0.09 0.00 0.00 0.00 0.00 53.44 53.61 1oq3 n ALA 19 Cb 0.30 -2.53 -0.04 0.00 0.00 0.00 0.00 19.45 17.17 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 -1.29 1.67 -0.08 0.00 0.00 -1.91 0.13 119.26 117.78 1oq3 h ALA 21 Ca -0.06 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.83 1oq3 h ALA 21 Cb 0.45 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1oq3 h ALA 21 CO 0.10 0.24 0.03 0.00 0.00 0.00 0.00 179.25 179.62 1oq3 h ALA 22 N 1.62 0.09 -0.12 0.00 0.00 -1.95 -1.15 119.26 117.75 1oq3 h ALA 22 Ca 0.28 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.20 1oq3 h ALA 22 Cb 0.16 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1oq3 h ALA 22 CO -0.09 -0.43 0.06 0.00 0.00 0.00 0.00 179.25 178.79 1oq3 h ARG 23 N 0.07 0.16 -0.55 0.00 2.47 0.96 0.29 114.38 117.79 1oq3 h ARG 23 Ca 0.04 -0.02 0.05 0.00 -1.26 0.00 0.00 59.98 58.79 1oq3 h ARG 23 Cb 0.02 -0.03 -0.08 0.00 -1.65 0.00 0.00 29.97 28.23 1oq3 h ARG 23 CO -0.03 0.20 -0.41 0.82 0.56 0.00 0.00 179.97 181.10 1oq3 h ILE 24 N 0.09 0.00 -0.04 2.04 2.04 -0.75 -1.23 117.51 119.66 1oq3 h ILE 24 Ca 0.04 0.00 -0.16 0.00 1.00 0.00 0.00 64.86 65.74 1oq3 h ILE 24 Cb 0.08 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.15 1oq3 h ILE 24 CO -0.01 0.00 -0.70 -0.08 0.00 0.00 0.00 178.15 177.36 1oq3 h GLU 25 N -0.12 0.22 -0.84 2.37 4.57 -1.06 -2.99 114.58 116.73 1oq3 h GLU 25 Ca 0.09 -0.18 0.07 0.00 -1.18 0.00 0.00 59.36 58.16 1oq3 h GLU 25 Cb 0.35 0.04 -0.06 0.00 -0.16 0.00 0.00 28.75 28.92 1oq3 h GLU 25 CO -0.58 0.83 0.55 0.87 -1.18 0.00 0.00 179.01 179.51 1oq3 h LYS 26 N 0.15 0.88 -0.21 1.92 1.79 0.10 0.35 116.57 121.54 1oq3 h LYS 26 Ca -0.02 -0.05 0.05 0.00 -2.18 0.00 0.00 60.65 58.45 1oq3 h LYS 26 Cb 1.25 -0.20 -0.05 0.00 -1.58 0.00 0.00 32.23 31.65 1oq3 h LYS 26 CO 0.11 0.58 -0.10 0.78 -1.08 0.00 0.00 179.45 179.74 1oq3 h GLY 27 N 0.90 0.09 1.85 3.86 0.00 -1.09 -2.23 103.07 106.46 1oq3 h GLY 27 Ca 0.37 0.12 -0.02 0.00 0.00 0.00 0.00 47.33 47.80 1oq3 h GLY 27 CO -0.14 -0.12 -0.03 1.41 0.00 0.00 0.00 176.54 177.66 1oq3 h LEU 28 N -0.07 0.18 -1.47 3.11 3.38 -0.73 -0.27 115.31 119.44 1oq3 h LEU 28 Ca 0.11 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1oq3 h LEU 28 Cb 0.24 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1oq3 h LEU 28 CO -0.26 0.24 0.00 0.50 0.09 0.00 0.00 178.44 179.01 1oq3 h LYS 29 N 0.19 0.00 -0.02 1.13 3.64 0.17 0.14 116.57 121.83 1oq3 h LYS 29 Ca 0.05 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1oq3 h LYS 29 Cb 0.19 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 1oq3 h LYS 29 CO 0.01 0.00 -0.26 0.54 -2.27 0.00 0.00 179.45 177.47 1oq3 n ARG 30 N -2.39 1.42 -2.46 1.90 3.00 -0.12 -4.91 116.66 113.11 1oq3 n ARG 30 Ca -0.01 -1.07 -0.40 0.00 -0.01 0.00 0.00 57.85 56.35 1oq3 n ARG 30 Cb 0.09 -1.48 -0.04 0.00 0.00 0.00 0.00 32.46 31.03 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 -2.32 4.61 -0.89 5.56 -1.94 0.51 -4.91 119.30 119.92 1oq3 s MET 31 Ca 0.25 1.81 -0.25 0.00 -1.71 0.00 0.00 55.69 55.79 1oq3 s MET 31 Cb 0.19 -3.20 -0.05 0.00 2.01 0.00 0.00 34.83 33.78 1oq3 s MET 31 CO 0.47 0.15 1.95 -1.25 -0.01 0.00 0.00 175.02 176.33 1oq3 s PRO 32 N -1.18 2.55 0.00 2.03 0.04 -1.26 -1.48 135.00 135.69 1oq3 s PRO 32 Ca 0.46 -0.25 0.00 0.00 0.04 0.00 0.00 61.00 61.26 1oq3 s PRO 32 Cb -0.32 -5.03 0.00 0.00 0.04 0.00 0.00 34.50 29.19 1oq3 s PRO 32 CO 0.40 -3.37 0.00 0.41 0.04 0.00 0.00 177.00 174.49 1oq3 n GLY 33 N 6.81 0.58 3.69 0.56 0.00 -1.26 -4.53 105.19 111.03 1oq3 n GLY 33 Ca 0.39 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.40 2.52 0.04 1.61 0.11 -0.55 -0.41 120.40 123.31 1oq3 s VAL 34 Ca 0.00 0.17 0.00 0.00 -2.93 0.00 0.00 61.98 59.22 1oq3 s VAL 34 Cb 0.00 -2.40 0.00 0.00 -1.53 0.00 0.00 36.38 32.45 1oq3 s VAL 34 CO 0.00 -0.22 0.00 0.41 -3.33 0.00 0.00 175.10 171.96 1oq3 n THR 35 N -4.06 0.44 -3.91 5.04 -1.04 0.42 -4.84 114.28 106.34 1oq3 n THR 35 Ca 0.09 0.15 -0.09 0.00 -2.04 0.00 0.00 64.05 62.15 1oq3 n THR 35 Cb 0.53 -1.52 -0.07 0.00 -1.82 0.00 0.00 70.33 67.45 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 -5.36 0.03 -0.08 8.00 2.15 -1.14 -5.02 116.67 115.25 1oq3 s ASP 36 Ca 0.00 -0.77 -0.09 0.00 0.43 0.00 0.00 52.55 52.12 1oq3 s ASP 36 Cb 0.00 0.42 0.02 0.00 -0.30 0.00 0.00 42.92 43.07 1oq3 s ASP 36 CO 0.00 -0.86 0.25 0.00 -0.17 0.00 0.00 175.17 174.39 1oq3 s ALA 37 N -3.93 -0.63 -0.20 3.66 0.00 -1.26 -0.42 121.76 118.98 1oq3 s ALA 37 Ca 0.13 0.61 -0.07 0.00 0.00 0.00 0.00 51.96 52.63 1oq3 s ALA 37 Cb 0.03 -0.32 0.09 0.00 0.00 0.00 0.00 23.12 22.92 1oq3 s ALA 37 CO -0.03 -0.15 0.42 -0.80 0.00 0.00 0.00 175.76 175.20 1oq3 s ASN 38 N -0.16 -0.24 0.26 0.00 0.01 0.39 -4.98 114.94 110.21 1oq3 s ASN 38 Ca -0.03 0.97 -0.19 0.00 -0.71 0.00 0.00 52.86 52.90 1oq3 s ASN 38 Cb -0.03 1.35 -0.09 0.00 0.41 0.00 0.00 41.25 42.90 1oq3 s ASN 38 CO 0.01 -0.23 0.75 0.54 -1.51 0.00 0.00 177.10 176.66 1oq3 s VAL 39 N 2.61 4.55 -0.46 1.60 0.11 -1.26 -0.65 120.40 126.90 1oq3 s VAL 39 Ca -0.01 1.28 0.07 0.00 -2.93 0.00 0.00 61.98 60.39 1oq3 s VAL 39 Cb -0.12 -3.82 0.25 0.00 -1.53 0.00 0.00 36.38 31.16 1oq3 s VAL 39 CO -0.13 0.11 0.59 -3.20 -3.33 0.00 0.00 175.10 169.14 1oq3 n ASN 40 N 0.46 1.20 0.31 3.54 5.15 0.83 -4.92 115.26 121.83 1oq3 n ASN 40 Ca -0.00 -2.91 0.19 0.00 -0.60 0.00 0.00 54.58 51.25 1oq3 n ASN 40 Cb 0.51 -0.65 1.02 0.00 -0.53 0.00 0.00 39.78 40.13 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 4.04 0.00 -1.90 1.20 3.38 -1.93 -0.48 115.31 119.62 1oq3 h LEU 41 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1oq3 h LEU 41 Cb 0.82 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.57 1oq3 h LEU 41 CO 0.57 0.02 0.02 0.00 0.09 0.00 0.00 178.44 179.13 1oq3 h ALA 42 N 1.98 1.01 0.00 1.53 0.00 -1.92 -1.00 119.26 120.87 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 0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1oq3 h ALA 42 CO 0.00 -0.01 -0.26 2.41 0.00 0.00 0.00 179.25 181.39 1oq3 n THR 43 N -2.51 0.64 -4.24 0.00 -1.04 -0.33 -5.00 114.28 101.79 1oq3 n THR 43 Ca -0.02 -0.75 -0.33 0.00 -2.04 0.00 0.00 64.05 60.91 1oq3 n THR 43 Cb 0.06 0.33 -0.06 0.00 -1.82 0.00 0.00 70.33 68.85 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 -0.47 -2.10 -4.16 -2.82 1.02 -0.38 -4.93 120.64 106.80 1oq3 n GLU 44 Ca 0.05 0.26 -0.10 0.00 -0.02 0.00 0.00 57.16 57.34 1oq3 n GLU 44 Cb 0.63 -4.45 -0.10 0.00 -0.02 0.00 0.00 31.44 27.50 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 -3.77 0.63 0.02 2.62 2.01 -0.37 -3.80 115.64 112.98 1oq3 s THR 45 Ca 0.36 -1.91 0.00 0.00 0.31 0.00 0.00 61.69 60.45 1oq3 s THR 45 Cb -0.20 -1.65 -0.02 0.00 0.01 0.00 0.00 72.50 70.64 1oq3 s THR 45 CO 0.96 -0.89 -0.03 0.54 -0.69 0.00 0.00 174.62 174.51 1oq3 s VAL 46 N -3.65 0.15 -0.04 3.82 0.11 -0.30 -0.12 120.40 120.38 1oq3 s VAL 46 Ca 0.11 -0.89 0.06 0.00 -2.93 0.00 0.00 61.98 58.33 1oq3 s VAL 46 Cb 0.06 -0.29 -0.02 0.00 -1.53 0.00 0.00 36.38 34.60 1oq3 s VAL 46 CO -0.05 -0.47 -0.21 0.21 -3.33 0.00 0.00 175.10 171.24 1oq3 s ASN 47 N -1.42 3.45 -0.02 3.54 2.47 0.18 -1.51 114.94 121.63 1oq3 s ASN 47 Ca -0.15 -0.36 0.01 0.00 0.42 0.00 0.00 52.86 52.78 1oq3 s ASN 47 Cb -0.10 -0.60 0.02 0.00 -1.45 0.00 0.00 41.25 39.12 1oq3 s ASN 47 CO -0.01 0.32 -0.01 0.54 -3.72 0.00 0.00 177.10 174.22 1oq3 s VAL 48 N -0.61 0.24 -0.24 -5.21 0.11 0.07 -0.46 120.40 114.31 1oq3 s VAL 48 Ca 0.09 -0.01 -0.10 0.00 -2.93 0.00 0.00 61.98 59.04 1oq3 s VAL 48 Cb -0.11 -0.29 -0.05 0.00 -1.53 0.00 0.00 36.38 34.41 1oq3 s VAL 48 CO 0.00 0.13 0.15 -0.63 -3.33 0.00 0.00 175.10 171.42 1oq3 s ILE 49 N 0.68 5.24 0.22 7.04 1.01 0.44 -0.83 121.20 135.00 1oq3 s ILE 49 Ca -0.07 0.14 -0.07 0.00 0.00 0.00 0.00 60.65 60.65 1oq3 s ILE 49 Cb -0.10 -3.44 -0.02 0.00 0.01 0.00 0.00 42.46 38.91 1oq3 s ILE 49 CO -0.01 0.35 0.31 -0.72 0.00 0.00 0.00 174.94 174.87 1oq3 s TYR 50 N 1.03 0.72 -0.23 3.97 -0.85 -0.36 -0.44 117.35 121.20 1oq3 s TYR 50 Ca 0.07 -1.02 -0.06 0.00 -0.52 0.00 0.00 57.07 55.54 1oq3 s TYR 50 Cb -0.14 -0.16 -0.02 0.00 0.38 0.00 0.00 41.96 42.02 1oq3 s TYR 50 CO 0.04 -0.82 0.03 0.34 -1.52 0.00 0.00 175.55 173.62 1oq3 s ASP 51 N -3.08 4.92 0.00 -0.18 -1.08 0.45 -0.94 116.67 116.76 1oq3 s ASP 51 Ca 0.30 -0.23 0.00 0.00 -0.52 0.00 0.00 52.55 52.09 1oq3 s ASP 51 Cb 0.03 -1.87 0.00 0.00 -1.46 0.00 0.00 42.92 39.62 1oq3 s ASP 51 CO 0.10 -0.00 0.57 -0.81 0.52 0.00 0.00 175.17 175.55 1oq3 n PRO 52 N 4.70 0.60 -0.06 4.34 -0.04 -1.12 -0.23 135.00 143.19 1oq3 n PRO 52 Ca -0.17 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.16 1oq3 n PRO 52 Cb 0.51 -1.03 -0.12 0.00 -0.04 0.00 0.00 33.50 32.83 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 2.14 -0.00 0.05 0.55 0.00 -1.95 -3.39 119.26 116.66 1oq3 h ALA 53 Ca 0.00 -0.43 -0.38 0.00 0.00 0.00 0.00 54.91 54.10 1oq3 h ALA 53 Cb 0.03 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 1oq3 h ALA 53 CO 0.00 -0.06 -2.28 0.39 0.00 0.00 0.00 179.25 177.30 1oq3 n GLU 54 N -4.67 0.69 -4.07 0.00 -0.58 -1.11 -5.06 120.64 105.85 1oq3 n GLU 54 Ca -0.09 0.20 -0.18 0.00 -0.42 0.00 0.00 57.16 56.66 1oq3 n GLU 54 Cb 0.42 -1.60 -0.16 0.00 -0.57 0.00 0.00 31.44 29.53 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 0.36 0.00 2.62 2.01 0.68 -4.96 115.64 113.82 1oq3 s THR 55 Ca -0.30 -0.05 0.00 0.00 0.31 0.00 0.00 61.69 61.66 1oq3 s THR 55 Cb 0.08 -0.40 0.00 0.00 0.01 0.00 0.00 72.50 72.19 1oq3 s THR 55 CO 0.67 0.17 0.00 0.61 -0.69 0.00 0.00 174.62 175.38 1oq3 n GLY 56 N 3.93 1.96 0.30 4.40 0.00 -1.26 -2.79 105.19 111.73 1oq3 n GLY 56 Ca -0.25 -0.96 0.29 0.00 0.00 0.00 0.00 46.02 45.11 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 -0.39 -0.13 2.61 5.66 -1.26 -0.40 114.28 120.37 1oq3 n THR 57 Ca 0.00 1.91 -0.10 0.00 -3.05 0.00 0.00 64.05 62.81 1oq3 n THR 57 Cb 0.00 -3.08 -0.04 0.00 -1.55 0.00 0.00 70.33 65.66 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 1.87 -0.39 -0.10 1.79 0.00 -2.00 0.14 119.26 120.55 1oq3 h ALA 58 Ca 0.78 0.07 -0.16 0.00 0.00 0.00 0.00 54.91 55.60 1oq3 h ALA 58 Cb 2.05 0.87 -0.01 0.00 0.00 0.00 0.00 17.79 20.70 1oq3 h ALA 58 CO -0.73 -0.84 -0.63 0.00 0.00 0.00 0.00 179.25 177.05 1oq3 h ALA 59 N 0.48 0.72 0.14 0.00 0.00 -1.10 -3.27 119.26 116.22 1oq3 h ALA 59 Ca 0.14 -0.56 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 1oq3 h ALA 59 Cb 0.58 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1oq3 h ALA 59 CO -0.57 0.73 -0.07 0.82 0.00 0.00 0.00 179.25 180.16 1oq3 h ILE 60 N 0.28 1.03 -0.38 0.00 2.04 -0.74 -1.02 117.51 118.71 1oq3 h ILE 60 Ca -0.01 -0.93 0.08 0.00 1.00 0.00 0.00 64.86 65.00 1oq3 h ILE 60 Cb 1.17 1.58 -0.08 0.00 -0.74 0.00 0.00 36.82 38.75 1oq3 h ILE 60 CO 0.11 0.21 -0.14 1.56 0.00 0.00 0.00 178.15 179.89 1oq3 h GLN 61 N -0.65 -0.05 -0.41 2.37 7.50 -0.89 0.22 115.11 123.20 1oq3 h GLN 61 Ca -0.02 0.00 0.08 0.00 0.50 0.00 0.00 58.65 59.22 1oq3 h GLN 61 Cb 0.49 0.01 -0.09 0.00 0.05 0.00 0.00 27.48 27.94 1oq3 h GLN 61 CO 0.03 -0.04 -0.30 1.49 -1.50 0.00 0.00 178.83 178.52 1oq3 h GLU 62 N -0.05 -0.22 -0.44 1.46 4.57 -1.57 0.68 114.58 119.00 1oq3 h GLU 62 Ca 0.19 0.01 -0.09 0.00 -1.18 0.00 0.00 59.36 58.29 1oq3 h GLU 62 Cb 0.34 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.97 1oq3 h GLU 62 CO -0.43 -0.14 -0.09 -0.22 -1.18 0.00 0.00 179.01 176.95 1oq3 h LYS 63 N -0.23 0.85 -0.60 1.92 1.63 -0.72 -3.20 116.57 116.21 1oq3 h LYS 63 Ca 0.18 -0.32 0.08 0.00 -0.85 0.00 0.00 60.65 59.74 1oq3 h LYS 63 Cb 0.52 -0.05 -0.06 0.00 -0.60 0.00 0.00 32.23 32.04 1oq3 h LYS 63 CO -0.54 0.95 0.27 0.82 -3.45 0.00 0.00 179.45 177.50 1oq3 h ILE 64 N 0.68 0.85 -0.69 2.00 1.08 0.77 0.37 117.51 122.58 1oq3 h ILE 64 Ca 0.11 -0.17 0.15 0.00 -0.39 0.00 0.00 64.86 64.56 1oq3 h ILE 64 Cb 0.62 0.32 -0.11 0.00 -3.07 0.00 0.00 36.82 34.58 1oq3 h ILE 64 CO 0.04 0.09 0.08 -0.33 -0.69 0.00 0.00 178.15 177.34 1oq3 h GLU 65 N 0.49 0.18 -0.08 2.37 4.39 -0.80 -1.65 114.58 119.48 1oq3 h GLU 65 Ca 0.29 -0.01 -0.14 0.00 0.34 0.00 0.00 59.36 59.84 1oq3 h GLU 65 Cb 0.29 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 1oq3 h GLU 65 CO -0.25 0.12 -0.56 -0.22 -1.16 0.00 0.00 179.01 176.95 1oq3 h LYS 66 N 0.18 0.24 -0.35 2.33 3.64 -0.44 -0.34 116.57 121.83 1oq3 h LYS 66 Ca 0.38 -0.15 0.10 0.00 -1.27 0.00 0.00 60.65 59.71 1oq3 h LYS 66 Cb 0.63 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.46 1oq3 h LYS 66 CO -0.54 0.73 0.40 -0.07 -2.27 0.00 0.00 179.45 177.70 1oq3 h LEU 67 N 0.19 0.00 0.00 5.20 -0.00 0.32 -3.45 115.31 117.56 1oq3 h LEU 67 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1oq3 h LEU 67 Cb 1.04 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.70 1oq3 h LEU 67 CO 0.09 0.00 0.00 0.61 -0.00 0.00 0.00 178.44 179.14 1oq3 n GLY 68 N -1.46 1.97 3.19 0.83 0.00 -0.14 -4.95 105.19 104.63 1oq3 n GLY 68 Ca 0.06 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.99 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 0.18 -0.09 1.61 1.51 -1.10 -5.04 117.35 112.42 1oq3 s TYR 69 Ca 0.00 -0.61 0.02 0.00 -1.01 0.00 0.00 57.07 55.47 1oq3 s TYR 69 Cb 0.00 -0.09 -0.02 0.00 -0.11 0.00 0.00 41.96 41.74 1oq3 s TYR 69 CO 0.00 -0.52 -0.13 -3.38 -1.11 0.00 0.00 175.55 170.41 1oq3 s HIS 70 N -3.75 2.77 0.12 2.71 -3.43 -1.26 -2.93 115.29 109.51 1oq3 s HIS 70 Ca 0.04 -0.36 0.01 0.00 -0.80 0.00 0.00 55.06 53.95 1oq3 s HIS 70 Cb 0.05 -1.74 -0.04 0.00 -1.43 0.00 0.00 32.58 29.42 1oq3 s HIS 70 CO -0.10 0.02 0.27 0.54 -2.00 0.00 0.00 174.74 173.46 1oq3 s VAL 71 N -0.24 5.33 0.17 -5.38 0.11 -1.26 -1.15 120.40 117.98 1oq3 s VAL 71 Ca 0.01 -0.48 0.09 0.00 -2.93 0.00 0.00 61.98 58.67 1oq3 s VAL 71 Cb -0.13 -3.69 -0.04 0.00 -1.53 0.00 0.00 36.38 30.99 1oq3 s VAL 71 CO 0.03 0.00 -0.13 0.68 -3.33 0.00 0.00 175.10 172.35 1oq3 s VAL 72 N -1.66 3.03 -0.61 2.04 -7.23 -0.17 -4.96 120.40 110.85 1oq3 s VAL 72 Ca 0.36 -1.68 -0.06 0.00 -1.81 0.00 0.00 61.98 58.79 1oq3 s VAL 72 Cb -0.12 -2.48 0.16 0.00 0.56 0.00 0.00 36.38 34.50 1oq3 s VAL 72 CO 0.28 -0.07 0.45 -0.63 -0.31 0.00 0.00 175.10 174.82 1oq3 s ILE 73 N -1.61 4.12 -0.01 -0.62 -1.09 -1.26 -3.68 121.20 117.05 1oq3 s ILE 73 Ca 0.23 -2.52 0.02 0.00 -2.23 0.00 0.00 60.65 56.15 1oq3 s ILE 73 Cb -0.09 -3.67 -0.00 0.00 -1.58 0.00 0.00 42.46 37.12 1oq3 s ILE 73 CO 0.14 -0.86 -0.07 -1.61 -1.23 0.00 0.00 174.94 171.30 1oq3 s GLU 74 N 0.41 0.68 0.00 2.79 0.41 -1.26 -4.93 118.70 116.80 1oq3 s GLU 74 Ca 0.14 -0.26 0.00 0.00 -0.41 0.00 0.00 54.97 54.44 1oq3 s GLU 74 Cb -0.20 -0.66 0.00 0.00 -1.78 0.00 0.00 34.13 31.49 1oq3 s GLU 74 CO -0.04 0.13 0.00 0.41 -0.49 0.00 0.00 175.26 175.27 1oq3 n GLY 75 N 3.08 0.58 2.50 -1.39 0.00 -1.26 -4.58 105.19 104.11 1oq3 n GLY 75 Ca -0.15 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.47 1oq3 n GLY 75 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19