#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 2.39 0.54 4.03 2.34 -1.26 -5.03 118.68 121.70 1oq3 s LEU 2 Ca 0.00 0.58 -0.21 0.00 0.06 0.00 0.00 54.13 54.56 1oq3 s LEU 2 Cb 0.00 -2.80 -0.06 0.00 -0.56 0.00 0.00 46.19 42.77 1oq3 s LEU 2 CO 0.00 -2.52 1.06 -1.20 -1.06 0.00 0.00 176.35 172.63 1oq3 n SER 3 N -3.68 1.33 -4.10 1.48 7.64 -1.26 -5.04 113.62 109.99 1oq3 n SER 3 Ca 0.11 0.90 -0.07 0.00 1.01 0.00 0.00 58.87 60.82 1oq3 n SER 3 Cb 0.60 -1.42 -0.10 0.00 -1.01 0.00 0.00 64.21 62.28 1oq3 n SER 3 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 1oq3 s GLU 4 N -2.59 0.64 0.41 1.43 -1.05 -1.26 -5.18 118.70 111.10 1oq3 s GLU 4 Ca 0.71 -1.24 0.07 0.00 -0.15 0.00 0.00 54.97 54.37 1oq3 s GLU 4 Cb -0.45 0.21 -0.05 0.00 -0.44 0.00 0.00 34.13 33.40 1oq3 s GLU 4 CO 0.50 -0.12 0.20 1.14 0.95 0.00 0.00 175.26 177.93 1oq3 s GLN 5 N -3.93 2.27 0.06 -4.83 -2.07 -1.26 -4.44 119.66 105.46 1oq3 s GLN 5 Ca 0.08 -1.79 -0.08 0.00 -1.82 0.00 0.00 55.36 51.75 1oq3 s GLN 5 Cb 0.08 -2.04 -0.00 0.00 -1.09 0.00 0.00 33.01 29.96 1oq3 s GLN 5 CO -0.09 -0.11 0.16 0.21 -1.32 0.00 0.00 175.29 174.14 1oq3 s LYS 6 N -3.93 0.72 0.34 9.60 2.20 -0.16 -4.99 119.74 123.53 1oq3 s LYS 6 Ca 0.42 -0.81 -0.24 0.00 -0.36 0.00 0.00 55.97 54.98 1oq3 s LYS 6 Cb 0.03 0.29 -0.10 0.00 -1.51 0.00 0.00 37.83 36.54 1oq3 s LYS 6 CO 0.23 -0.21 0.92 -1.83 -0.36 0.00 0.00 175.35 174.10 1oq3 s GLU 7 N -3.12 4.46 0.16 4.03 -1.05 -1.26 -1.01 118.70 120.91 1oq3 s GLU 7 Ca -0.01 1.22 0.07 0.00 -0.15 0.00 0.00 54.97 56.11 1oq3 s GLU 7 Cb 0.02 -2.66 -0.04 0.00 -0.44 0.00 0.00 34.13 31.00 1oq3 s GLU 7 CO -0.07 0.22 -0.15 -1.50 0.95 0.00 0.00 175.26 174.72 1oq3 s ILE 8 N -1.74 1.54 -0.13 1.83 1.10 0.43 -4.97 121.20 119.27 1oq3 s ILE 8 Ca 0.52 -1.96 -0.05 0.00 -0.51 0.00 0.00 60.65 58.65 1oq3 s ILE 8 Cb -0.16 -1.80 0.06 0.00 0.15 0.00 0.00 42.46 40.71 1oq3 s ILE 8 CO 0.21 -0.49 0.27 0.00 -2.11 0.00 0.00 174.94 172.82 1oq3 s ALA 9 N -2.53 -0.58 0.24 1.50 0.00 -1.26 -1.56 121.76 117.57 1oq3 s ALA 9 Ca 0.16 0.97 -0.18 0.00 0.00 0.00 0.00 51.96 52.90 1oq3 s ALA 9 Cb -0.03 -0.98 0.02 0.00 0.00 0.00 0.00 23.12 22.13 1oq3 s ALA 9 CO 0.05 -0.59 0.60 0.00 0.00 0.00 0.00 175.76 175.82 1oq3 s MET 10 N 2.27 1.58 0.33 0.00 0.23 -0.21 -4.42 119.30 119.08 1oq3 s MET 10 Ca -0.00 -0.99 -0.03 0.00 -1.03 0.00 0.00 55.69 53.64 1oq3 s MET 10 Cb -0.12 0.55 -0.04 0.00 -1.53 0.00 0.00 34.83 33.69 1oq3 s MET 10 CO -0.09 -0.69 0.57 -0.65 -2.03 0.00 0.00 175.02 172.13 1oq3 s GLN 11 N -3.92 3.57 -0.08 3.16 1.11 -1.26 -0.68 119.66 121.56 1oq3 s GLN 11 Ca 0.13 -0.10 0.05 0.00 0.01 0.00 0.00 55.36 55.45 1oq3 s GLN 11 Cb -0.03 -2.63 -0.00 0.00 -1.01 0.00 0.00 33.01 29.34 1oq3 s GLN 11 CO 0.03 0.15 -0.23 0.08 0.01 0.00 0.00 175.29 175.33 1oq3 s VAL 12 N -2.22 1.97 -0.16 1.09 1.01 -1.22 -1.00 120.40 119.87 1oq3 s VAL 12 Ca 0.43 -1.00 -0.25 0.00 0.00 0.00 0.00 61.98 61.16 1oq3 s VAL 12 Cb -0.10 -1.69 -0.02 0.00 0.00 0.00 0.00 36.38 34.57 1oq3 s VAL 12 CO 0.33 0.55 0.83 -0.55 0.00 0.00 0.00 175.10 176.26 1oq3 s SER 13 N 0.12 6.97 0.00 3.32 0.15 0.31 -4.47 113.70 120.09 1oq3 s SER 13 Ca -0.11 1.19 0.00 0.00 0.70 0.00 0.00 55.95 57.72 1oq3 s SER 13 Cb -0.16 -2.45 0.00 0.00 -1.71 0.00 0.00 66.02 61.70 1oq3 s SER 13 CO 0.06 -0.38 0.00 0.61 1.20 0.00 0.00 173.24 174.73 1oq3 n GLY 14 N 3.43 2.09 3.72 9.45 0.00 -1.26 -3.72 105.19 118.90 1oq3 n GLY 14 Ca 0.04 -0.58 -0.24 0.00 0.00 0.00 0.00 46.02 45.25 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 0.00 -1.45 -0.07 1.61 0.00 -1.26 -4.84 117.12 111.11 1oq3 n MET 15 Ca 0.00 0.70 0.01 0.00 0.00 0.00 0.00 57.70 58.40 1oq3 n MET 15 Cb 0.00 -2.07 0.03 0.00 0.00 0.00 0.00 33.22 31.19 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 -2.49 0.21 -3.34 1.12 -2.24 -1.26 -5.00 114.28 101.28 1oq3 n THR 16 Ca -0.31 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 1oq3 n THR 16 Cb 0.65 -0.39 0.00 0.00 -2.10 0.00 0.00 70.33 68.49 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 8.25 0.00 -1.85 0.00 0.00 -1.26 -0.64 120.51 125.01 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 2.50 1.66 0.16 0.00 0.00 -1.26 -5.02 120.51 118.55 1oq3 n ALA 19 Ca 0.00 -0.37 -0.07 0.00 0.00 0.00 0.00 53.44 53.00 1oq3 n ALA 19 Cb 0.00 -0.15 -0.03 0.00 0.00 0.00 0.00 19.45 19.27 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 -1.18 1.50 0.04 0.00 0.00 -1.96 0.21 119.26 117.87 1oq3 h ALA 21 Ca -0.05 0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.91 1oq3 h ALA 21 Cb 0.36 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1oq3 h ALA 21 CO 0.08 0.18 -0.19 0.00 0.00 0.00 0.00 179.25 179.32 1oq3 h ALA 22 N 1.54 -0.27 -0.21 0.00 0.00 -1.91 -0.25 119.26 118.16 1oq3 h ALA 22 Ca 0.50 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.43 1oq3 h ALA 22 Cb 0.53 0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 1oq3 h ALA 22 CO -0.28 -0.70 0.00 0.00 0.00 0.00 0.00 179.25 178.28 1oq3 h ARG 23 N -0.33 0.07 -0.19 0.00 2.47 0.97 0.11 114.38 117.49 1oq3 h ARG 23 Ca 0.04 -0.00 0.04 0.00 -1.26 0.00 0.00 59.98 58.80 1oq3 h ARG 23 Cb 0.38 -0.02 -0.07 0.00 -1.65 0.00 0.00 29.97 28.61 1oq3 h ARG 23 CO -0.15 0.05 -0.52 0.82 0.56 0.00 0.00 179.97 180.73 1oq3 h ILE 24 N 0.07 0.03 -0.21 2.04 2.04 -0.44 0.17 117.51 121.22 1oq3 h ILE 24 Ca 0.10 0.00 -0.14 0.00 1.00 0.00 0.00 64.86 65.82 1oq3 h ILE 24 Cb 0.12 0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.22 1oq3 h ILE 24 CO -0.17 0.00 -0.46 -0.08 0.00 0.00 0.00 178.15 177.45 1oq3 h GLU 25 N -0.53 0.52 0.00 2.37 4.57 -0.84 -0.46 114.58 120.21 1oq3 h GLU 25 Ca 0.05 -0.29 -0.01 0.00 -1.18 0.00 0.00 59.36 57.94 1oq3 h GLU 25 Cb 0.66 0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 29.26 1oq3 h GLU 25 CO -0.46 0.87 -0.04 0.87 -1.18 0.00 0.00 179.01 179.07 1oq3 h LYS 26 N 0.42 0.00 0.02 1.92 1.79 -0.38 0.32 116.57 120.66 1oq3 h LYS 26 Ca 0.03 0.00 0.02 0.00 -2.18 0.00 0.00 60.65 58.52 1oq3 h LYS 26 Cb 0.96 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.58 1oq3 h LYS 26 CO 0.09 0.04 -0.17 0.78 -1.08 0.00 0.00 179.45 179.11 1oq3 h GLY 27 N 0.17 -0.24 1.83 3.86 0.00 0.10 -3.11 103.07 105.69 1oq3 h GLY 27 Ca -0.00 0.20 -0.04 0.00 0.00 0.00 0.00 47.33 47.49 1oq3 h GLY 27 CO 0.00 -0.16 -0.09 1.41 0.00 0.00 0.00 176.54 177.71 1oq3 h LEU 28 N -0.28 0.20 -1.54 3.11 3.38 -0.10 0.13 115.31 120.21 1oq3 h LEU 28 Ca 0.05 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1oq3 h LEU 28 Cb 0.34 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1oq3 h LEU 28 CO -0.14 0.32 0.43 0.50 0.09 0.00 0.00 178.44 179.63 1oq3 h LYS 29 N 0.21 0.00 -0.00 1.13 1.63 -0.77 0.11 116.57 118.88 1oq3 h LYS 29 Ca 0.05 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.85 1oq3 h LYS 29 Cb 0.29 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.92 1oq3 h LYS 29 CO 0.01 0.00 -0.41 -2.13 -3.45 0.00 0.00 179.45 173.48 1oq3 n ARG 30 N -2.70 0.48 -2.56 1.90 0.63 0.03 -4.89 116.66 109.56 1oq3 n ARG 30 Ca -0.02 -0.30 -0.40 0.00 -0.92 0.00 0.00 57.85 56.21 1oq3 n ARG 30 Cb 0.46 -1.49 -0.05 0.00 0.45 0.00 0.00 32.46 31.83 1oq3 n ARG 30 CO 0.00 0.00 0.00 -1.64 -2.51 0.00 0.00 177.63 173.48 1oq3 s MET 31 N -2.72 4.70 -0.96 -0.14 -1.94 0.39 -4.94 119.30 113.69 1oq3 s MET 31 Ca 0.18 1.71 -0.24 0.00 -1.71 0.00 0.00 55.69 55.62 1oq3 s MET 31 Cb 0.18 -3.22 -0.03 0.00 2.01 0.00 0.00 34.83 33.77 1oq3 s MET 31 CO 0.61 0.29 1.85 -1.25 -0.01 0.00 0.00 175.02 176.51 1oq3 s PRO 32 N -1.27 2.77 0.00 2.03 0.04 -1.26 -1.89 135.00 135.42 1oq3 s PRO 32 Ca 0.44 -0.55 0.00 0.00 0.04 0.00 0.00 61.00 60.93 1oq3 s PRO 32 Cb -0.30 -5.14 0.00 0.00 0.04 0.00 0.00 34.50 29.10 1oq3 s PRO 32 CO 0.38 -3.20 0.00 0.41 0.04 0.00 0.00 177.00 174.63 1oq3 n GLY 33 N 6.74 0.59 3.74 0.56 0.00 -1.26 -4.55 105.19 111.02 1oq3 n GLY 33 Ca 0.39 0.00 -0.34 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 2.69 0.00 1.61 0.11 -0.79 -0.35 120.40 123.67 1oq3 s VAL 34 Ca 0.00 0.33 -0.04 0.00 -2.93 0.00 0.00 61.98 59.34 1oq3 s VAL 34 Cb 0.00 -2.87 -0.01 0.00 -1.53 0.00 0.00 36.38 31.97 1oq3 s VAL 34 CO 0.00 -0.19 -0.07 0.41 -3.33 0.00 0.00 175.10 171.92 1oq3 n THR 35 N -2.60 0.81 -3.73 5.04 -1.04 0.67 -4.87 114.28 108.55 1oq3 n THR 35 Ca 0.12 0.26 -0.12 0.00 -2.04 0.00 0.00 64.05 62.27 1oq3 n THR 35 Cb 0.51 -1.58 -0.11 0.00 -1.82 0.00 0.00 70.33 67.33 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 -5.46 -0.41 0.08 8.00 1.01 -1.02 -5.00 116.67 113.87 1oq3 s ASP 36 Ca -0.06 0.78 0.02 0.00 0.71 0.00 0.00 52.55 54.00 1oq3 s ASP 36 Cb 0.01 0.76 -0.04 0.00 1.01 0.00 0.00 42.92 44.65 1oq3 s ASP 36 CO 0.09 -0.15 0.14 0.00 0.21 0.00 0.00 175.17 175.47 1oq3 s ALA 37 N 0.51 3.75 -0.26 5.23 0.00 -1.26 -0.24 121.76 129.49 1oq3 s ALA 37 Ca -0.02 -0.97 -0.01 0.00 0.00 0.00 0.00 51.96 50.96 1oq3 s ALA 37 Cb -0.04 -1.59 0.13 0.00 0.00 0.00 0.00 23.12 21.62 1oq3 s ALA 37 CO -0.03 0.75 0.35 -0.80 0.00 0.00 0.00 175.76 176.03 1oq3 s ASN 38 N -2.54 0.74 0.12 0.00 0.02 0.75 -4.97 114.94 109.06 1oq3 s ASN 38 Ca 0.32 -0.18 -0.25 0.00 -1.02 0.00 0.00 52.86 51.72 1oq3 s ASN 38 Cb -0.12 0.88 -0.07 0.00 0.02 0.00 0.00 41.25 41.96 1oq3 s ASN 38 CO 0.25 -0.33 0.77 0.54 0.02 0.00 0.00 177.10 178.34 1oq3 s VAL 39 N 2.48 4.52 -0.48 1.60 0.11 -1.26 -0.51 120.40 126.85 1oq3 s VAL 39 Ca 0.10 1.67 0.08 0.00 -2.93 0.00 0.00 61.98 60.91 1oq3 s VAL 39 Cb -0.14 -4.13 0.28 0.00 -1.53 0.00 0.00 36.38 30.86 1oq3 s VAL 39 CO -0.22 0.46 0.69 -3.20 -3.33 0.00 0.00 175.10 169.49 1oq3 n ASN 40 N 2.09 1.89 0.27 3.54 5.15 0.90 -4.93 115.26 124.16 1oq3 n ASN 40 Ca -0.04 -3.10 0.18 0.00 -0.60 0.00 0.00 54.58 51.01 1oq3 n ASN 40 Cb 0.49 -0.63 0.80 0.00 -0.53 0.00 0.00 39.78 39.91 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 3.70 0.00 -0.48 1.20 3.38 -1.93 0.39 115.31 121.58 1oq3 h LEU 41 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1oq3 h LEU 41 Cb 0.78 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1oq3 h LEU 41 CO 0.62 0.00 0.00 0.00 0.09 0.00 0.00 178.44 179.15 1oq3 n ALA 42 N -2.03 1.06 -1.56 1.53 0.00 -1.26 -1.38 120.51 116.87 1oq3 n ALA 42 Ca -0.00 0.06 0.02 0.00 0.00 0.00 0.00 53.44 53.52 1oq3 n ALA 42 Cb 0.22 -1.12 0.03 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 -1.76 0.40 -4.23 0.00 -1.04 -0.00 -5.01 114.28 102.63 1oq3 n THR 43 Ca -0.00 -0.47 -0.37 0.00 -2.04 0.00 0.00 64.05 61.17 1oq3 n THR 43 Cb 0.03 0.45 -0.04 0.00 -1.82 0.00 0.00 70.33 68.94 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 -0.29 -2.49 -4.15 -2.82 4.71 -0.48 -4.92 120.64 110.21 1oq3 n GLU 44 Ca 0.03 0.30 -0.13 0.00 -0.01 0.00 0.00 57.16 57.35 1oq3 n GLU 44 Cb 0.63 -4.99 -0.11 0.00 -1.01 0.00 0.00 31.44 25.96 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 -3.22 0.79 0.01 2.62 2.01 -0.44 -3.42 115.64 113.99 1oq3 s THR 45 Ca 0.74 -1.59 0.04 0.00 0.31 0.00 0.00 61.69 61.19 1oq3 s THR 45 Cb -0.41 -1.27 -0.01 0.00 0.01 0.00 0.00 72.50 70.81 1oq3 s THR 45 CO 0.91 -0.60 -0.11 0.54 -0.69 0.00 0.00 174.62 174.67 1oq3 s VAL 46 N -2.50 0.87 -0.04 3.82 0.11 0.14 -0.07 120.40 122.74 1oq3 s VAL 46 Ca 0.04 -0.70 0.02 0.00 -2.93 0.00 0.00 61.98 58.40 1oq3 s VAL 46 Cb -0.02 -0.77 -0.03 0.00 -1.53 0.00 0.00 36.38 34.02 1oq3 s VAL 46 CO -0.01 0.08 -0.06 0.21 -3.33 0.00 0.00 175.10 171.98 1oq3 s ASN 47 N -0.70 4.68 -0.07 3.54 3.84 0.33 -1.04 114.94 125.52 1oq3 s ASN 47 Ca 0.02 -0.06 -0.12 0.00 0.21 0.00 0.00 52.86 52.91 1oq3 s ASN 47 Cb -0.06 -1.15 0.02 0.00 -0.55 0.00 0.00 41.25 39.51 1oq3 s ASN 47 CO 0.00 0.33 0.29 0.54 -2.79 0.00 0.00 177.10 175.47 1oq3 s VAL 48 N -0.89 0.03 -0.21 -5.21 0.11 -0.60 -0.18 120.40 113.45 1oq3 s VAL 48 Ca 0.14 -0.22 -0.03 0.00 -2.93 0.00 0.00 61.98 58.94 1oq3 s VAL 48 Cb -0.11 -0.49 -0.01 0.00 -1.53 0.00 0.00 36.38 34.24 1oq3 s VAL 48 CO 0.04 -0.12 -0.05 -0.63 -3.33 0.00 0.00 175.10 171.01 1oq3 s ILE 49 N -0.47 3.34 0.16 7.04 1.01 0.66 -0.43 121.20 132.52 1oq3 s ILE 49 Ca -0.06 -0.51 -0.06 0.00 0.00 0.00 0.00 60.65 60.03 1oq3 s ILE 49 Cb -0.04 -2.51 -0.02 0.00 0.01 0.00 0.00 42.46 39.90 1oq3 s ILE 49 CO 0.02 0.44 0.20 -0.72 0.00 0.00 0.00 174.94 174.87 1oq3 s TYR 50 N 1.34 0.64 -0.43 3.97 -0.85 -0.18 -0.24 117.35 121.60 1oq3 s TYR 50 Ca 0.04 -0.99 -0.18 0.00 -0.52 0.00 0.00 57.07 55.42 1oq3 s TYR 50 Cb -0.14 -0.24 0.02 0.00 0.38 0.00 0.00 41.96 41.98 1oq3 s TYR 50 CO -0.03 -0.66 0.50 0.34 -1.52 0.00 0.00 175.55 174.18 1oq3 s ASP 51 N -3.02 6.23 0.00 -0.18 -1.08 0.52 -0.98 116.67 118.16 1oq3 s ASP 51 Ca 0.22 -0.61 0.00 0.00 -0.52 0.00 0.00 52.55 51.64 1oq3 s ASP 51 Cb 0.05 -2.25 0.00 0.00 -1.46 0.00 0.00 42.92 39.26 1oq3 s ASP 51 CO 0.02 -0.65 0.48 -0.81 0.52 0.00 0.00 175.17 174.73 1oq3 n PRO 52 N 5.80 0.56 -0.06 4.34 -0.04 -1.09 -0.03 135.00 144.48 1oq3 n PRO 52 Ca -0.06 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.22 1oq3 n PRO 52 Cb 0.47 -1.08 -0.13 0.00 -0.04 0.00 0.00 33.50 32.72 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 1.96 0.09 0.13 0.55 0.00 -1.93 -3.39 119.26 116.67 1oq3 h ALA 53 Ca 0.00 -0.82 -0.36 0.00 0.00 0.00 0.00 54.91 53.74 1oq3 h ALA 53 Cb 0.08 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1oq3 h ALA 53 CO 0.00 0.37 -1.94 0.93 0.00 0.00 0.00 179.25 178.61 1oq3 h GLU 54 N -0.83 0.28 -3.18 0.00 5.08 -1.80 -3.50 114.58 110.64 1oq3 h GLU 54 Ca -0.16 -0.48 -0.25 0.00 -1.00 0.00 0.00 59.36 57.47 1oq3 h GLU 54 Cb 1.27 0.18 -0.33 0.00 0.50 0.00 0.00 28.75 30.37 1oq3 h GLU 54 CO -0.04 1.23 -0.60 0.99 -1.00 0.00 0.00 179.01 179.59 1oq3 s THR 55 N -2.56 -0.12 0.00 1.13 2.01 0.96 -4.95 115.64 112.11 1oq3 s THR 55 Ca -0.22 0.23 0.00 0.00 0.31 0.00 0.00 61.69 62.02 1oq3 s THR 55 Cb 0.06 -0.27 0.00 0.00 0.01 0.00 0.00 72.50 72.30 1oq3 s THR 55 CO 0.78 0.10 0.00 0.61 -0.69 0.00 0.00 174.62 175.41 1oq3 n GLY 56 N 4.57 2.84 0.23 4.40 0.00 -1.26 -2.68 105.19 113.28 1oq3 n GLY 56 Ca -0.20 -0.73 0.17 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.29 -0.08 2.61 5.66 -1.26 -0.43 114.28 120.49 1oq3 n THR 57 Ca 0.00 1.44 -0.10 0.00 -3.05 0.00 0.00 64.05 62.34 1oq3 n THR 57 Cb 0.00 -2.24 -0.04 0.00 -1.55 0.00 0.00 70.33 66.50 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 1.37 -0.42 -0.04 1.79 0.00 -2.00 0.19 119.26 120.15 1oq3 h ALA 58 Ca 0.51 0.05 -0.21 0.00 0.00 0.00 0.00 54.91 55.26 1oq3 h ALA 58 Cb 1.24 0.80 0.00 0.00 0.00 0.00 0.00 17.79 19.83 1oq3 h ALA 58 CO -0.58 -0.85 -0.85 0.00 0.00 0.00 0.00 179.25 176.97 1oq3 h ALA 59 N 0.41 0.45 0.42 0.00 0.00 -1.12 -3.29 119.26 116.13 1oq3 h ALA 59 Ca 0.12 -0.66 -0.02 0.00 0.00 0.00 0.00 54.91 54.35 1oq3 h ALA 59 Cb 0.58 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1oq3 h ALA 59 CO -0.50 0.78 -0.20 0.82 0.00 0.00 0.00 179.25 180.15 1oq3 h ILE 60 N 0.28 0.54 -0.52 0.00 2.04 -0.74 -2.47 117.51 116.63 1oq3 h ILE 60 Ca -0.06 -0.40 0.10 0.00 1.00 0.00 0.00 64.86 65.51 1oq3 h ILE 60 Cb 1.46 0.71 -0.10 0.00 -0.74 0.00 0.00 36.82 38.15 1oq3 h ILE 60 CO 0.15 0.07 -0.12 1.56 0.00 0.00 0.00 178.15 179.81 1oq3 h GLN 61 N -0.82 0.01 -0.94 2.37 7.50 -0.77 0.27 115.11 122.73 1oq3 h GLN 61 Ca -0.06 -0.00 0.11 0.00 0.50 0.00 0.00 58.65 59.20 1oq3 h GLN 61 Cb 0.55 -0.00 -0.13 0.00 0.05 0.00 0.00 27.48 27.95 1oq3 h GLN 61 CO 0.10 0.01 -0.47 -1.91 -1.50 0.00 0.00 178.83 175.05 1oq3 n GLU 62 N -5.36 -0.33 -0.06 1.46 0.00 -1.16 -0.23 120.64 114.96 1oq3 n GLU 62 Ca 0.05 1.43 -0.15 0.00 0.00 0.00 0.00 57.16 58.49 1oq3 n GLU 62 Cb 0.28 -2.12 -0.06 0.00 0.00 0.00 0.00 31.44 29.54 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 0.74 -0.62 5.31 6.56 -0.54 -2.42 116.57 125.60 1oq3 h LYS 63 Ca 0.23 -0.50 0.08 0.00 -1.06 0.00 0.00 60.65 59.40 1oq3 h LYS 63 Cb 0.47 0.07 -0.06 0.00 -0.57 0.00 0.00 32.23 32.13 1oq3 h LYS 63 CO -0.91 1.12 0.28 0.82 -2.06 0.00 0.00 179.45 178.70 1oq3 h ILE 64 N 0.46 0.85 -0.12 1.86 1.08 0.37 0.21 117.51 122.23 1oq3 h ILE 64 Ca -0.00 -0.17 0.05 0.00 -0.39 0.00 0.00 64.86 64.34 1oq3 h ILE 64 Cb 1.12 0.30 -0.06 0.00 -3.07 0.00 0.00 36.82 35.11 1oq3 h ILE 64 CO 0.11 0.09 -0.28 -0.33 -0.69 0.00 0.00 178.15 177.06 1oq3 h GLU 65 N 0.51 -0.34 -0.48 2.37 4.39 -0.31 -1.50 114.58 119.22 1oq3 h GLU 65 Ca 0.30 0.02 0.04 0.00 0.34 0.00 0.00 59.36 60.06 1oq3 h GLU 65 Cb 0.30 0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 28.99 1oq3 h GLU 65 CO -0.25 -0.23 0.25 -0.22 -1.16 0.00 0.00 179.01 177.40 1oq3 h LYS 66 N -0.35 0.48 0.00 2.33 1.63 -0.60 0.12 116.57 120.18 1oq3 h LYS 66 Ca 0.10 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.87 1oq3 h LYS 66 Cb 0.50 -0.11 0.00 0.00 -0.60 0.00 0.00 32.23 32.02 1oq3 h LYS 66 CO -0.32 0.32 0.24 -0.07 -3.45 0.00 0.00 179.45 176.16 1oq3 h LEU 67 N 0.49 0.00 0.00 5.20 4.07 -0.34 -3.45 115.31 121.29 1oq3 h LEU 67 Ca 0.20 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.16 1oq3 h LEU 67 Cb 0.09 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.83 1oq3 h LEU 67 CO -0.13 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 177.84 1oq3 n GLY 68 N -1.20 1.56 3.27 0.83 0.00 0.43 -5.04 105.19 105.04 1oq3 n GLY 68 Ca -0.02 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.83 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 1.54 -0.09 1.61 1.51 -0.64 -5.01 117.35 114.27 1oq3 s TYR 69 Ca 0.00 -1.52 0.00 0.00 -1.01 0.00 0.00 57.07 54.54 1oq3 s TYR 69 Cb 0.00 -0.69 0.02 0.00 -0.11 0.00 0.00 41.96 41.18 1oq3 s TYR 69 CO 0.00 -0.73 -0.06 -1.58 -1.11 0.00 0.00 175.55 172.06 1oq3 s HIS 70 N -3.71 1.21 0.20 2.71 5.65 -1.24 -2.53 115.29 117.58 1oq3 s HIS 70 Ca 0.39 -0.51 -0.16 0.00 0.25 0.00 0.00 55.06 55.02 1oq3 s HIS 70 Cb 0.04 -1.04 -0.08 0.00 -1.18 0.00 0.00 32.58 30.33 1oq3 s HIS 70 CO 0.21 -0.39 0.64 0.54 -0.65 0.00 0.00 174.74 175.09 1oq3 s VAL 71 N 1.47 4.72 0.53 0.89 0.11 -1.26 -0.53 120.40 126.34 1oq3 s VAL 71 Ca -0.01 1.02 -0.01 0.00 -2.93 0.00 0.00 61.98 60.05 1oq3 s VAL 71 Cb -0.13 -3.77 0.02 0.00 -1.53 0.00 0.00 36.38 30.96 1oq3 s VAL 71 CO -0.04 0.18 0.78 0.68 -3.33 0.00 0.00 175.10 173.36 1oq3 s VAL 72 N -1.55 3.31 -0.47 2.04 -7.23 -0.17 -4.93 120.40 111.40 1oq3 s VAL 72 Ca 0.42 -0.45 0.03 0.00 -1.81 0.00 0.00 61.98 60.17 1oq3 s VAL 72 Cb -0.15 -3.26 0.14 0.00 0.56 0.00 0.00 36.38 33.66 1oq3 s VAL 72 CO 0.20 -0.21 0.26 -0.63 -0.31 0.00 0.00 175.10 174.41 1oq3 s ILE 73 N -2.77 1.75 -0.38 -0.62 -1.09 -1.26 -4.21 121.20 112.62 1oq3 s ILE 73 Ca 0.53 -2.84 0.03 0.00 -2.23 0.00 0.00 60.65 56.14 1oq3 s ILE 73 Cb -0.10 -2.22 0.16 0.00 -1.58 0.00 0.00 42.46 38.72 1oq3 s ILE 73 CO 0.40 -0.89 0.38 -1.61 -1.23 0.00 0.00 174.94 171.99 1oq3 s GLU 74 N 0.08 0.68 0.00 2.79 2.02 -1.26 -4.99 118.70 118.03 1oq3 s GLU 74 Ca 0.18 -1.02 0.00 0.00 0.02 0.00 0.00 54.97 54.16 1oq3 s GLU 74 Cb -0.23 -0.79 0.00 0.00 0.10 0.00 0.00 34.13 33.21 1oq3 s GLU 74 CO -0.01 -1.22 0.00 0.41 0.02 0.00 0.00 175.26 174.46 1oq3 n GLY 75 N 4.04 -0.10 4.00 -1.39 0.00 -1.26 -4.74 105.19 105.73 1oq3 n GLY 75 Ca 0.13 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1oq3 n GLY 75 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19