#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 4.41 -0.05 4.03 2.34 -1.26 -5.07 118.68 123.08 1oq3 s LEU 2 Ca 0.00 2.03 -0.14 0.00 0.06 0.00 0.00 54.13 56.08 1oq3 s LEU 2 Cb 0.00 -3.87 0.03 0.00 -0.56 0.00 0.00 46.19 41.79 1oq3 s LEU 2 CO 0.00 -0.14 0.31 -0.44 -1.06 0.00 0.00 176.35 175.02 1oq3 s SER 3 N -1.31 -0.23 -0.08 1.48 0.01 -1.26 -5.17 113.70 107.14 1oq3 s SER 3 Ca 0.49 0.26 -0.26 0.00 1.31 0.00 0.00 55.95 57.74 1oq3 s SER 3 Cb -0.25 0.43 0.06 0.00 0.21 0.00 0.00 66.02 66.47 1oq3 s SER 3 CO 0.31 -0.34 0.60 -1.83 0.41 0.00 0.00 173.24 172.39 1oq3 s GLU 4 N -0.86 0.93 0.72 12.44 1.03 -1.26 -5.18 118.70 126.53 1oq3 s GLU 4 Ca -0.09 0.28 -0.06 0.00 0.03 0.00 0.00 54.97 55.13 1oq3 s GLU 4 Cb -0.04 0.44 0.09 0.00 -0.80 0.00 0.00 34.13 33.81 1oq3 s GLU 4 CO 0.03 -0.26 1.02 1.14 -1.33 0.00 0.00 175.26 175.86 1oq3 s GLN 5 N -0.95 1.96 0.15 -4.83 -2.07 -1.26 -4.52 119.66 108.13 1oq3 s GLN 5 Ca -0.10 -0.48 -0.12 0.00 -1.82 0.00 0.00 55.36 52.84 1oq3 s GLN 5 Cb -0.02 -2.20 0.01 0.00 -1.09 0.00 0.00 33.01 29.72 1oq3 s GLN 5 CO 0.07 -1.36 0.34 0.15 -1.32 0.00 0.00 175.29 173.18 1oq3 s LYS 6 N -5.25 1.12 0.42 9.60 1.02 -0.53 -5.00 119.74 121.12 1oq3 s LYS 6 Ca 0.63 -0.97 -0.14 0.00 0.02 0.00 0.00 55.97 55.51 1oq3 s LYS 6 Cb -0.09 0.42 -0.08 0.00 -0.52 0.00 0.00 37.83 37.56 1oq3 s LYS 6 CO 0.45 -0.42 0.84 -1.83 -0.92 0.00 0.00 175.35 173.47 1oq3 s GLU 7 N -3.89 3.91 0.11 1.68 -1.05 -1.26 -1.39 118.70 116.81 1oq3 s GLU 7 Ca 0.10 0.71 0.05 0.00 -0.15 0.00 0.00 54.97 55.67 1oq3 s GLU 7 Cb 0.02 -2.31 -0.04 0.00 -0.44 0.00 0.00 34.13 31.37 1oq3 s GLU 7 CO -0.05 -0.07 -0.12 -1.50 0.95 0.00 0.00 175.26 174.47 1oq3 s ILE 8 N -2.35 1.11 -0.02 1.83 1.10 0.35 -4.97 121.20 118.24 1oq3 s ILE 8 Ca 0.55 -1.67 0.00 0.00 -0.51 0.00 0.00 60.65 59.02 1oq3 s ILE 8 Cb -0.10 -1.43 0.02 0.00 0.15 0.00 0.00 42.46 41.10 1oq3 s ILE 8 CO 0.27 -0.50 -0.00 0.00 -2.11 0.00 0.00 174.94 172.60 1oq3 s ALA 9 N -2.32 0.27 0.26 1.50 0.00 -1.26 -0.83 121.76 119.37 1oq3 s ALA 9 Ca 0.07 0.13 -0.18 0.00 0.00 0.00 0.00 51.96 51.99 1oq3 s ALA 9 Cb -0.04 -0.26 0.01 0.00 0.00 0.00 0.00 23.12 22.84 1oq3 s ALA 9 CO 0.01 -0.05 0.61 0.00 0.00 0.00 0.00 175.76 176.34 1oq3 s MET 10 N 0.81 1.66 0.02 0.00 0.23 -0.09 -4.98 119.30 116.95 1oq3 s MET 10 Ca -0.08 -1.08 0.02 0.00 -1.03 0.00 0.00 55.69 53.52 1oq3 s MET 10 Cb -0.11 0.55 -0.04 0.00 -1.53 0.00 0.00 34.83 33.70 1oq3 s MET 10 CO -0.02 -0.73 0.01 -0.65 -2.03 0.00 0.00 175.02 171.60 1oq3 s GLN 11 N -3.95 2.76 0.24 3.16 1.11 -1.20 -1.01 119.66 120.76 1oq3 s GLN 11 Ca 0.15 -0.65 0.09 0.00 0.01 0.00 0.00 55.36 54.96 1oq3 s GLN 11 Cb -0.04 -2.66 -0.05 0.00 -1.01 0.00 0.00 33.01 29.26 1oq3 s GLN 11 CO 0.07 0.61 -0.15 0.08 0.01 0.00 0.00 175.29 175.90 1oq3 s VAL 12 N -1.15 1.99 0.58 1.09 1.01 -1.25 -0.65 120.40 122.02 1oq3 s VAL 12 Ca 0.21 -2.27 -0.03 0.00 0.00 0.00 0.00 61.98 59.89 1oq3 s VAL 12 Cb -0.12 -2.19 0.03 0.00 0.00 0.00 0.00 36.38 34.10 1oq3 s VAL 12 CO 0.13 -0.49 0.86 -0.55 0.00 0.00 0.00 175.10 175.05 1oq3 s SER 13 N -3.40 5.36 -1.16 3.32 0.15 0.16 -4.57 113.70 113.56 1oq3 s SER 13 Ca 0.26 0.40 -0.05 0.00 0.70 0.00 0.00 55.95 57.26 1oq3 s SER 13 Cb -0.02 -1.33 0.04 0.00 -1.71 0.00 0.00 66.02 63.01 1oq3 s SER 13 CO 0.10 -1.15 0.30 0.61 1.20 0.00 0.00 173.24 174.31 1oq3 n GLY 14 N -2.52 -0.49 0.00 9.45 0.00 -1.26 -4.73 105.19 105.63 1oq3 n GLY 14 Ca 0.06 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -3.37 3.23 -1.39 1.61 3.85 -1.26 -4.77 117.12 115.01 1oq3 n MET 15 Ca -0.06 0.00 -0.13 0.00 -1.00 0.00 0.00 57.70 56.50 1oq3 n MET 15 Cb 0.57 0.00 -0.06 0.00 -1.05 0.00 0.00 33.22 32.68 1oq3 n MET 15 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 175.97 173.60 1oq3 n THR 16 N -0.06 -0.00 -0.10 3.17 5.66 -1.26 -4.76 114.28 116.93 1oq3 n THR 16 Ca 0.00 0.00 -0.21 0.00 -3.05 0.00 0.00 64.05 60.79 1oq3 n THR 16 Cb 0.00 -1.28 -0.08 0.00 -1.55 0.00 0.00 70.33 67.42 1oq3 n THR 16 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1oq3 n ALA 18 N -3.80 0.00 -1.38 0.00 0.00 -1.26 -5.01 120.51 109.07 1oq3 n ALA 18 Ca -0.40 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 52.91 1oq3 n ALA 18 Cb 0.81 0.00 0.19 0.00 0.00 0.00 0.00 19.45 20.45 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 -3.00 4.87 0.17 0.00 0.00 -1.26 -4.76 120.51 116.53 1oq3 n ALA 19 Ca 0.00 -3.07 -0.07 0.00 0.00 0.00 0.00 53.44 50.30 1oq3 n ALA 19 Cb 0.00 -1.02 -0.03 0.00 0.00 0.00 0.00 19.45 18.39 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 -1.41 1.89 0.45 0.00 0.00 -1.86 0.11 119.26 118.43 1oq3 h ALA 21 Ca -0.05 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1oq3 h ALA 21 Cb 0.36 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1oq3 h ALA 21 CO 0.08 -0.09 -0.27 0.00 0.00 0.00 0.00 179.25 178.96 1oq3 h ALA 22 N 1.62 -0.68 0.01 0.00 0.00 -1.88 0.97 119.26 119.29 1oq3 h ALA 22 Ca 0.39 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.19 1oq3 h ALA 22 Cb 0.65 0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 1oq3 h ALA 22 CO -0.15 -0.90 -0.17 0.00 0.00 0.00 0.00 179.25 178.03 1oq3 h ARG 23 N -0.68 -0.27 -0.45 0.00 2.47 -0.02 0.81 114.38 116.24 1oq3 h ARG 23 Ca -0.05 0.02 0.05 0.00 -1.26 0.00 0.00 59.98 58.74 1oq3 h ARG 23 Cb 0.56 0.06 -0.08 0.00 -1.65 0.00 0.00 29.97 28.86 1oq3 h ARG 23 CO 0.05 -0.18 -0.53 0.82 0.56 0.00 0.00 179.97 180.70 1oq3 h ILE 24 N -0.28 0.00 -0.18 2.04 2.04 -0.73 0.08 117.51 120.49 1oq3 h ILE 24 Ca 0.05 0.00 -0.17 0.00 1.00 0.00 0.00 64.86 65.75 1oq3 h ILE 24 Cb 0.34 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.42 1oq3 h ILE 24 CO -0.15 0.00 -0.57 -0.08 0.00 0.00 0.00 178.15 177.34 1oq3 h GLU 25 N -0.33 0.57 -0.75 2.37 4.57 -0.67 -1.84 114.58 118.51 1oq3 h GLU 25 Ca 0.08 -0.37 0.10 0.00 -1.18 0.00 0.00 59.36 57.99 1oq3 h GLU 25 Cb 0.54 0.05 -0.05 0.00 -0.16 0.00 0.00 28.75 29.13 1oq3 h GLU 25 CO -0.60 0.98 0.49 0.87 -1.18 0.00 0.00 179.01 179.58 1oq3 h LYS 26 N 0.43 0.62 -0.44 1.92 1.79 -0.45 0.34 116.57 120.79 1oq3 h LYS 26 Ca 0.00 -0.04 0.09 0.00 -2.18 0.00 0.00 60.65 58.52 1oq3 h LYS 26 Cb 1.12 -0.14 -0.08 0.00 -1.58 0.00 0.00 32.23 31.55 1oq3 h LYS 26 CO 0.11 0.41 -0.08 0.78 -1.08 0.00 0.00 179.45 179.59 1oq3 h GLY 27 N 0.64 0.36 1.93 3.86 0.00 -0.12 -1.97 103.07 107.78 1oq3 h GLY 27 Ca 0.35 0.12 -0.06 0.00 0.00 0.00 0.00 47.33 47.73 1oq3 h GLY 27 CO -0.12 -0.15 -0.27 1.41 0.00 0.00 0.00 176.54 177.41 1oq3 h LEU 28 N 0.03 0.08 -2.03 3.11 3.38 -0.28 -0.60 115.31 119.00 1oq3 h LEU 28 Ca 0.22 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1oq3 h LEU 28 Cb 0.33 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1oq3 h LEU 28 CO -0.43 0.35 0.11 0.50 0.09 0.00 0.00 178.44 179.06 1oq3 h LYS 29 N 0.08 0.00 -0.01 1.13 3.64 0.01 0.14 116.57 121.56 1oq3 h LYS 29 Ca 0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1oq3 h LYS 29 Cb 0.52 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 1oq3 h LYS 29 CO 0.04 0.00 -0.15 0.54 -2.27 0.00 0.00 179.45 177.60 1oq3 n ARG 30 N -2.65 0.97 -2.96 1.90 1.74 -0.23 -4.90 116.66 110.53 1oq3 n ARG 30 Ca -0.02 -0.50 -0.40 0.00 -0.77 0.00 0.00 57.85 56.16 1oq3 n ARG 30 Cb 0.16 -1.49 -0.05 0.00 -1.02 0.00 0.00 32.46 30.05 1oq3 n ARG 30 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 1oq3 s MET 31 N -2.37 4.53 -0.61 5.56 -1.94 0.49 -4.97 119.30 119.98 1oq3 s MET 31 Ca 0.29 1.11 -0.26 0.00 -1.71 0.00 0.00 55.69 55.12 1oq3 s MET 31 Cb 0.20 -3.34 -0.03 0.00 2.01 0.00 0.00 34.83 33.67 1oq3 s MET 31 CO 0.46 0.34 1.97 -1.25 -0.01 0.00 0.00 175.02 176.54 1oq3 s PRO 32 N -0.30 2.51 0.00 2.03 0.04 -1.26 -2.20 135.00 135.83 1oq3 s PRO 32 Ca 0.39 0.71 0.00 0.00 0.04 0.00 0.00 61.00 62.13 1oq3 s PRO 32 Cb -0.21 -4.46 0.00 0.00 0.04 0.00 0.00 34.50 29.87 1oq3 s PRO 32 CO 0.24 -2.88 0.00 0.41 0.04 0.00 0.00 177.00 174.81 1oq3 n GLY 33 N 5.82 0.80 3.76 0.56 0.00 -1.26 -4.29 105.19 110.58 1oq3 n GLY 33 Ca 0.25 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.28 3.04 0.03 1.61 0.11 -0.93 -0.44 120.40 123.54 1oq3 s VAL 34 Ca 0.00 0.53 -0.04 0.00 -2.93 0.00 0.00 61.98 59.53 1oq3 s VAL 34 Cb 0.00 -3.08 -0.01 0.00 -1.53 0.00 0.00 36.38 31.76 1oq3 s VAL 34 CO 0.00 -0.26 -0.09 0.41 -3.33 0.00 0.00 175.10 171.83 1oq3 n THR 35 N -2.22 1.28 -3.79 5.04 -1.04 0.20 -4.90 114.28 108.85 1oq3 n THR 35 Ca 0.11 0.34 -0.13 0.00 -2.04 0.00 0.00 64.05 62.33 1oq3 n THR 35 Cb 0.51 -1.77 -0.11 0.00 -1.82 0.00 0.00 70.33 67.14 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 -5.96 -0.22 -0.06 8.00 1.01 -1.13 -5.01 116.67 113.31 1oq3 s ASP 36 Ca -0.07 0.36 0.05 0.00 0.71 0.00 0.00 52.55 53.60 1oq3 s ASP 36 Cb 0.01 0.46 -0.02 0.00 1.01 0.00 0.00 42.92 44.38 1oq3 s ASP 36 CO 0.11 -0.19 -0.22 0.00 0.21 0.00 0.00 175.17 175.08 1oq3 s ALA 37 N -0.31 2.31 -0.16 5.23 0.00 -1.26 -0.16 121.76 127.42 1oq3 s ALA 37 Ca -0.04 -1.03 -0.04 0.00 0.00 0.00 0.00 51.96 50.86 1oq3 s ALA 37 Cb -0.03 -0.78 0.05 0.00 0.00 0.00 0.00 23.12 22.37 1oq3 s ALA 37 CO 0.01 0.44 0.06 -0.80 0.00 0.00 0.00 175.76 175.47 1oq3 s ASN 38 N -0.26 2.34 0.23 0.00 0.01 0.47 -4.99 114.94 112.74 1oq3 s ASN 38 Ca -0.00 -0.56 -0.26 0.00 -0.71 0.00 0.00 52.86 51.33 1oq3 s ASN 38 Cb -0.13 -0.37 -0.09 0.00 0.41 0.00 0.00 41.25 41.07 1oq3 s ASN 38 CO 0.03 -0.31 0.85 0.54 -1.51 0.00 0.00 177.10 176.70 1oq3 s VAL 39 N 2.03 4.27 -0.42 1.60 0.11 -1.26 -0.89 120.40 125.84 1oq3 s VAL 39 Ca 0.02 1.78 0.09 0.00 -2.93 0.00 0.00 61.98 60.94 1oq3 s VAL 39 Cb -0.16 -4.12 0.29 0.00 -1.53 0.00 0.00 36.38 30.87 1oq3 s VAL 39 CO -0.08 0.38 0.65 -3.20 -3.33 0.00 0.00 175.10 169.53 1oq3 n ASN 40 N 1.20 1.09 0.30 3.54 5.15 0.21 -4.93 115.26 121.81 1oq3 n ASN 40 Ca -0.02 -2.96 0.17 0.00 -0.60 0.00 0.00 54.58 51.17 1oq3 n ASN 40 Cb 0.49 -0.63 1.00 0.00 -0.53 0.00 0.00 39.78 40.11 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 3.56 0.00 -2.45 1.20 3.38 -1.94 0.18 115.31 119.24 1oq3 h LEU 41 Ca 0.10 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.09 1oq3 h LEU 41 Cb 0.86 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.61 1oq3 h LEU 41 CO 0.54 0.00 0.15 0.00 0.09 0.00 0.00 178.44 179.21 1oq3 h ALA 42 N 1.97 1.42 0.00 1.53 0.00 -1.92 -0.36 119.26 121.90 1oq3 h ALA 42 Ca 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1oq3 h ALA 42 Cb 0.05 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1oq3 h ALA 42 CO -0.00 -0.18 -0.03 2.41 0.00 0.00 0.00 179.25 181.45 1oq3 n THR 43 N -3.38 1.40 -4.22 0.00 -1.04 -0.01 -5.00 114.28 102.03 1oq3 n THR 43 Ca -0.01 -1.61 -0.32 0.00 -2.04 0.00 0.00 64.05 60.07 1oq3 n THR 43 Cb 0.23 0.11 -0.06 0.00 -1.82 0.00 0.00 70.33 68.80 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 -0.97 -2.12 -3.87 -2.82 1.02 -0.15 -4.93 120.64 106.81 1oq3 n GLU 44 Ca 0.09 0.26 -0.10 0.00 -0.02 0.00 0.00 57.16 57.38 1oq3 n GLU 44 Cb 0.50 -4.38 -0.09 0.00 -0.02 0.00 0.00 31.44 27.44 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 -3.84 0.11 0.07 2.62 2.01 -0.82 -3.92 115.64 111.88 1oq3 s THR 45 Ca 0.30 -0.92 0.04 0.00 0.31 0.00 0.00 61.69 61.41 1oq3 s THR 45 Cb -0.17 -0.86 -0.03 0.00 0.01 0.00 0.00 72.50 71.45 1oq3 s THR 45 CO 0.95 -0.51 -0.11 0.54 -0.69 0.00 0.00 174.62 174.80 1oq3 s VAL 46 N -2.45 0.92 0.11 3.82 0.11 -0.18 -0.62 120.40 122.11 1oq3 s VAL 46 Ca -0.06 -1.37 0.08 0.00 -2.93 0.00 0.00 61.98 57.70 1oq3 s VAL 46 Cb -0.02 -1.07 -0.04 0.00 -1.53 0.00 0.00 36.38 33.73 1oq3 s VAL 46 CO -0.03 -0.38 -0.20 0.54 -3.33 0.00 0.00 175.10 171.70 1oq3 s ASN 47 N -1.96 2.49 -0.06 3.54 4.22 -0.07 -0.91 114.94 122.19 1oq3 s ASN 47 Ca -0.01 -0.71 -0.14 0.00 -2.14 0.00 0.00 52.86 49.86 1oq3 s ASN 47 Cb -0.07 -0.13 0.03 0.00 1.28 0.00 0.00 41.25 42.35 1oq3 s ASN 47 CO 0.01 0.03 0.33 0.54 -2.04 0.00 0.00 177.10 175.98 1oq3 s VAL 48 N -1.30 0.03 -0.16 3.54 0.11 -0.01 -0.39 120.40 122.22 1oq3 s VAL 48 Ca 0.07 -0.29 -0.01 0.00 -2.93 0.00 0.00 61.98 58.82 1oq3 s VAL 48 Cb -0.09 -0.58 -0.01 0.00 -1.53 0.00 0.00 36.38 34.17 1oq3 s VAL 48 CO 0.04 -0.16 -0.12 -0.63 -3.33 0.00 0.00 175.10 170.90 1oq3 s ILE 49 N -0.76 2.93 0.25 7.04 1.01 0.77 -0.50 121.20 131.94 1oq3 s ILE 49 Ca -0.09 -0.68 -0.13 0.00 0.00 0.00 0.00 60.65 59.75 1oq3 s ILE 49 Cb -0.04 -2.25 -0.00 0.00 0.01 0.00 0.00 42.46 40.17 1oq3 s ILE 49 CO 0.03 0.50 0.50 -0.72 0.00 0.00 0.00 174.94 175.25 1oq3 s TYR 50 N 0.78 0.33 -0.28 3.97 -0.85 -0.49 -0.63 117.35 120.18 1oq3 s TYR 50 Ca -0.05 -0.70 -0.06 0.00 -0.52 0.00 0.00 57.07 55.74 1oq3 s TYR 50 Cb -0.15 0.23 0.01 0.00 0.38 0.00 0.00 41.96 42.42 1oq3 s TYR 50 CO 0.01 -1.01 0.05 0.34 -1.52 0.00 0.00 175.55 173.42 1oq3 s ASP 51 N -3.01 4.97 0.00 -0.18 -1.08 0.42 -1.46 116.67 116.32 1oq3 s ASP 51 Ca 0.22 -0.65 0.02 0.00 -0.52 0.00 0.00 52.55 51.61 1oq3 s ASP 51 Cb -0.01 -1.85 0.12 0.00 -1.46 0.00 0.00 42.92 39.72 1oq3 s ASP 51 CO 0.09 -0.16 0.54 -0.81 0.52 0.00 0.00 175.17 175.35 1oq3 n PRO 52 N 4.84 0.42 0.00 4.34 -0.04 -0.98 -0.32 135.00 143.26 1oq3 n PRO 52 Ca -0.15 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.14 1oq3 n PRO 52 Cb 0.48 -1.07 -0.11 0.00 -0.04 0.00 0.00 33.50 32.76 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 1.98 0.06 0.00 0.55 0.00 -1.94 -3.39 119.26 116.53 1oq3 h ALA 53 Ca 0.00 -0.56 -0.35 0.00 0.00 0.00 0.00 54.91 54.00 1oq3 h ALA 53 Cb 0.00 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.76 1oq3 h ALA 53 CO 0.00 0.31 -2.31 0.39 0.00 0.00 0.00 179.25 177.64 1oq3 n GLU 54 N -4.26 0.66 -3.78 0.00 1.02 -0.93 -5.07 120.64 108.28 1oq3 n GLU 54 Ca -0.10 0.11 -0.13 0.00 -0.02 0.00 0.00 57.16 57.02 1oq3 n GLU 54 Cb 0.65 -1.47 -0.14 0.00 -0.02 0.00 0.00 31.44 30.47 1oq3 n GLU 54 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1oq3 s THR 55 N -2.46 -0.03 0.00 2.62 2.01 0.57 -4.93 115.64 113.42 1oq3 s THR 55 Ca -0.28 0.11 0.00 0.00 0.31 0.00 0.00 61.69 61.83 1oq3 s THR 55 Cb 0.08 -0.22 0.00 0.00 0.01 0.00 0.00 72.50 72.37 1oq3 s THR 55 CO 0.57 0.04 0.00 0.61 -0.69 0.00 0.00 174.62 175.16 1oq3 n GLY 56 N 3.74 2.38 0.46 4.40 0.00 -1.26 -2.33 105.19 112.58 1oq3 n GLY 56 Ca -0.21 -0.36 0.33 0.00 0.00 0.00 0.00 46.02 45.77 1oq3 n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oq3 h THR 57 N 0.00 0.27 0.00 2.61 1.03 -2.00 0.87 112.91 115.70 1oq3 h THR 57 Ca 0.00 -0.06 0.03 0.00 -0.01 0.00 0.00 66.41 66.37 1oq3 h THR 57 Cb 0.00 0.08 -0.05 0.00 -1.07 0.00 0.00 68.15 67.11 1oq3 h THR 57 CO 0.00 0.03 -0.31 0.00 -0.01 0.00 0.00 175.52 175.23 1oq3 h ALA 58 N 1.57 -0.45 -0.08 0.00 0.00 -2.00 -2.05 119.26 116.25 1oq3 h ALA 58 Ca 0.73 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 55.42 1oq3 h ALA 58 Cb 2.24 0.55 0.01 0.00 0.00 0.00 0.00 17.79 20.59 1oq3 h ALA 58 CO -0.33 -0.82 -0.73 0.00 0.00 0.00 0.00 179.25 177.37 1oq3 h ALA 59 N 0.28 0.19 0.22 0.00 0.00 -1.26 -3.32 119.26 115.38 1oq3 h ALA 59 Ca 0.06 -0.59 -0.01 0.00 0.00 0.00 0.00 54.91 54.37 1oq3 h ALA 59 Cb 0.55 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1oq3 h ALA 59 CO -0.26 0.54 -0.11 0.82 0.00 0.00 0.00 179.25 180.24 1oq3 h ILE 60 N 0.28 0.83 -0.44 0.00 2.04 -1.16 -1.53 117.51 117.52 1oq3 h ILE 60 Ca -0.07 -0.29 0.06 0.00 1.00 0.00 0.00 64.86 65.56 1oq3 h ILE 60 Cb 1.38 1.00 -0.05 0.00 -0.74 0.00 0.00 36.82 38.41 1oq3 h ILE 60 CO 0.15 0.06 0.15 1.56 0.00 0.00 0.00 178.15 180.08 1oq3 h GLN 61 N -0.44 0.31 -0.73 2.37 7.50 -1.53 0.17 115.11 122.75 1oq3 h GLN 61 Ca -0.03 -0.02 0.07 0.00 0.50 0.00 0.00 58.65 59.17 1oq3 h GLN 61 Cb 0.34 -0.07 -0.10 0.00 0.05 0.00 0.00 27.48 27.69 1oq3 h GLN 61 CO 0.05 0.21 -0.57 1.49 -1.50 0.00 0.00 178.83 178.50 1oq3 h GLU 62 N 0.32 -0.17 -0.37 1.46 4.22 -1.60 -0.37 114.58 118.07 1oq3 h GLU 62 Ca 0.21 0.01 -0.12 0.00 0.08 0.00 0.00 59.36 59.54 1oq3 h GLU 62 Cb 0.20 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 1oq3 h GLU 62 CO -0.21 -0.11 -0.26 -0.22 -2.18 0.00 0.00 179.01 176.03 1oq3 h LYS 63 N -0.18 0.76 -0.67 1.92 1.63 -0.61 -3.01 116.57 116.42 1oq3 h LYS 63 Ca 0.12 -0.32 0.07 0.00 -0.85 0.00 0.00 60.65 59.66 1oq3 h LYS 63 Cb 0.49 -0.03 -0.06 0.00 -0.60 0.00 0.00 32.23 32.03 1oq3 h LYS 63 CO -0.78 0.94 0.36 0.82 -3.45 0.00 0.00 179.45 177.34 1oq3 h ILE 64 N 0.66 0.94 -0.63 2.00 1.08 0.13 0.20 117.51 121.89 1oq3 h ILE 64 Ca 0.09 -0.23 0.13 0.00 -0.39 0.00 0.00 64.86 64.46 1oq3 h ILE 64 Cb 0.77 0.22 -0.11 0.00 -3.07 0.00 0.00 36.82 34.63 1oq3 h ILE 64 CO 0.06 0.12 -0.09 -0.33 -0.69 0.00 0.00 178.15 177.23 1oq3 h GLU 65 N 0.66 0.04 -0.03 2.37 4.39 -0.96 -2.14 114.58 118.91 1oq3 h GLU 65 Ca 0.31 -0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.87 1oq3 h GLU 65 Cb 0.23 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.86 1oq3 h GLU 65 CO -0.20 0.03 -0.60 -0.22 -1.16 0.00 0.00 179.01 176.86 1oq3 h LYS 66 N 0.05 0.11 -0.28 2.33 3.64 -0.72 0.64 116.57 122.33 1oq3 h LYS 66 Ca 0.32 -0.08 0.08 0.00 -1.27 0.00 0.00 60.65 59.70 1oq3 h LYS 66 Cb 0.51 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 1oq3 h LYS 66 CO -0.60 0.67 0.39 -0.07 -2.27 0.00 0.00 179.45 177.57 1oq3 h LEU 67 N 0.08 0.00 0.00 5.20 -0.00 -0.11 -3.45 115.31 117.03 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 1.07 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.73 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 -1.41 1.95 3.22 0.83 0.00 0.21 -4.98 105.19 105.01 1oq3 n GLY 68 Ca 0.04 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.97 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 0.08 0.02 1.61 1.51 -1.17 -5.03 117.35 112.37 1oq3 s TYR 69 Ca 0.00 -0.47 -0.00 0.00 -1.01 0.00 0.00 57.07 55.59 1oq3 s TYR 69 Cb 0.00 -0.00 -0.04 0.00 -0.11 0.00 0.00 41.96 41.81 1oq3 s TYR 69 CO 0.00 -0.56 0.13 -3.38 -1.11 0.00 0.00 175.55 170.63 1oq3 s HIS 70 N -3.74 3.37 0.22 2.71 -3.43 -1.26 -3.14 115.29 110.02 1oq3 s HIS 70 Ca 0.04 0.23 0.08 0.00 -0.80 0.00 0.00 55.06 54.60 1oq3 s HIS 70 Cb 0.04 -1.74 -0.04 0.00 -1.43 0.00 0.00 32.58 29.41 1oq3 s HIS 70 CO -0.11 0.58 0.03 0.54 -2.00 0.00 0.00 174.74 173.78 1oq3 s VAL 71 N -1.32 3.73 -0.03 -5.38 0.11 -1.26 -0.67 120.40 115.58 1oq3 s VAL 71 Ca 0.27 -1.61 0.05 0.00 -2.93 0.00 0.00 61.98 57.76 1oq3 s VAL 71 Cb -0.12 -2.94 -0.01 0.00 -1.53 0.00 0.00 36.38 31.78 1oq3 s VAL 71 CO 0.19 -0.25 -0.17 0.68 -3.33 0.00 0.00 175.10 172.22 1oq3 s VAL 72 N -2.02 1.42 -0.70 2.04 -7.23 0.18 -4.97 120.40 109.12 1oq3 s VAL 72 Ca 0.30 -0.73 -0.12 0.00 -1.81 0.00 0.00 61.98 59.61 1oq3 s VAL 72 Cb -0.08 -1.21 0.18 0.00 0.56 0.00 0.00 36.38 35.83 1oq3 s VAL 72 CO 0.20 0.41 0.62 -0.63 -0.31 0.00 0.00 175.10 175.39 1oq3 s ILE 73 N -0.14 5.12 0.03 -0.62 -1.09 -1.26 -3.28 121.20 119.96 1oq3 s ILE 73 Ca 0.00 -2.24 -0.30 0.00 -2.23 0.00 0.00 60.65 55.88 1oq3 s ILE 73 Cb -0.10 -4.23 -0.06 0.00 -1.58 0.00 0.00 42.46 36.50 1oq3 s ILE 73 CO 0.01 -0.95 1.32 -0.70 -1.23 0.00 0.00 174.94 173.39 1oq3 s GLU 74 N 0.59 4.34 -1.05 2.79 2.12 -1.26 -4.92 118.70 121.31 1oq3 s GLU 74 Ca 0.13 1.89 -0.17 0.00 0.36 0.00 0.00 54.97 57.18 1oq3 s GLU 74 Cb -0.18 -3.45 -0.08 0.00 0.26 0.00 0.00 34.13 30.68 1oq3 s GLU 74 CO -0.05 -0.45 2.09 0.41 -0.54 0.00 0.00 175.26 176.73 1oq3 n GLY 75 N 3.46 3.32 0.00 -1.50 0.00 -1.26 -5.13 105.19 104.08 1oq3 n GLY 75 Ca 0.11 -1.35 0.10 0.00 0.00 0.00 0.00 46.02 44.88 1oq3 n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86