#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dvn n HIS 0 N 0.00 1.54 -4.24 1.43 -0.00 -1.26 -4.75 115.22 107.94 3dvn n HIS 0 Ca 0.00 0.48 -0.14 0.00 -0.00 0.00 0.00 57.72 58.06 3dvn n HIS 0 Cb 0.00 -2.27 -0.10 0.00 -0.00 0.00 0.00 29.99 27.62 3dvn n HIS 0 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3dvn s MET 1 N -2.45 1.02 0.10 -0.41 0.23 0.23 -4.90 119.30 113.12 3dvn s MET 1 Ca 0.68 -1.40 -0.20 0.00 -1.03 0.00 0.00 55.69 53.74 3dvn s MET 1 Cb -0.47 -0.61 -0.07 0.00 -1.53 0.00 0.00 34.83 32.15 3dvn s MET 1 CO 0.53 0.08 0.60 -0.65 -2.03 0.00 0.00 175.02 173.54 3dvn s GLN 2 N -3.58 4.23 0.15 3.16 -0.21 -1.26 -0.30 119.66 121.85 3dvn s GLN 2 Ca 0.15 0.78 0.01 0.00 0.02 0.00 0.00 55.36 56.31 3dvn s GLN 2 Cb 0.02 -3.20 -0.04 0.00 1.00 0.00 0.00 33.01 30.78 3dvn s GLN 2 CO 0.00 0.61 0.00 0.96 -2.12 0.00 0.00 175.29 174.75 3dvn s ILE 3 N -1.16 0.54 0.00 1.08 -4.36 -1.00 0.36 121.20 116.66 3dvn s ILE 3 Ca 0.31 -1.95 0.07 0.00 -0.26 0.00 0.00 60.65 58.82 3dvn s ILE 3 Cb -0.19 -2.02 -0.03 0.00 1.25 0.00 0.00 42.46 41.47 3dvn s ILE 3 CO 0.20 -0.55 -0.23 -0.36 0.24 0.00 0.00 174.94 174.24 3dvn s PHE 4 N -3.75 2.43 -0.24 1.37 0.40 0.14 -2.72 117.98 115.62 3dvn s PHE 4 Ca 0.22 -0.35 0.02 0.00 -0.60 0.00 0.00 56.93 56.21 3dvn s PHE 4 Cb 0.06 -1.49 0.05 0.00 0.51 0.00 0.00 43.02 42.16 3dvn s PHE 4 CO 0.02 0.09 -0.11 0.08 0.70 0.00 0.00 175.22 176.00 3dvn s VAL 5 N -0.74 1.95 -0.18 -0.44 1.01 0.02 0.40 120.40 122.43 3dvn s VAL 5 Ca 0.11 -1.40 -0.12 0.00 0.00 0.00 0.00 61.98 60.57 3dvn s VAL 5 Cb -0.10 -2.06 -0.05 0.00 0.00 0.00 0.00 36.38 34.17 3dvn s VAL 5 CO 0.01 0.04 0.23 -0.54 0.00 0.00 0.00 175.10 174.83 3dvn s LYS 6 N 1.22 4.23 0.01 2.72 1.02 0.13 -1.12 119.74 127.94 3dvn s LYS 6 Ca -0.06 -0.04 -0.00 0.00 0.02 0.00 0.00 55.97 55.89 3dvn s LYS 6 Cb -0.19 -3.43 0.00 0.00 -0.52 0.00 0.00 37.83 33.70 3dvn s LYS 6 CO -0.06 0.25 0.02 0.25 -0.92 0.00 0.00 175.35 174.89 3dvn n THR 7 N 3.59 0.00 0.04 2.17 -2.24 -0.88 -2.40 114.28 114.56 3dvn n THR 7 Ca -0.14 -0.03 -0.13 0.00 -2.27 0.00 0.00 64.05 61.49 3dvn n THR 7 Cb 0.52 -1.54 -0.09 0.00 -2.10 0.00 0.00 70.33 67.12 3dvn n THR 7 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3dvn h LEU 8 N 0.00 -0.10 0.00 3.22 5.85 -1.93 -3.25 115.31 119.11 3dvn h LEU 8 Ca -0.01 -0.31 0.00 0.00 0.84 0.00 0.00 57.88 58.40 3dvn h LEU 8 Cb 0.02 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.08 3dvn h LEU 8 CO 0.01 0.27 0.00 0.35 -0.34 0.00 0.00 178.44 178.72 3dvn n THR 9 N -4.97 0.59 -0.49 1.05 -2.24 -1.26 -4.87 114.28 102.08 3dvn n THR 9 Ca -0.08 0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 3dvn n THR 9 Cb 0.21 -0.81 0.00 0.00 -2.10 0.00 0.00 70.33 67.63 3dvn n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dvn n GLY 10 N 0.47 1.33 3.78 3.38 0.00 -1.23 -5.09 105.19 107.84 3dvn n GLY 10 Ca 0.06 -0.17 -0.36 0.00 0.00 0.00 0.00 46.02 45.54 3dvn n GLY 10 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3dvn s LYS 11 N -1.39 3.96 -0.24 1.61 2.20 -1.26 -4.84 119.74 119.78 3dvn s LYS 11 Ca 0.00 -0.05 -0.13 0.00 -0.36 0.00 0.00 55.97 55.44 3dvn s LYS 11 Cb 0.00 -3.34 -0.05 0.00 -1.51 0.00 0.00 37.83 32.94 3dvn s LYS 11 CO 0.00 0.46 0.26 0.99 -0.36 0.00 0.00 175.35 176.70 3dvn s THR 12 N -0.15 5.28 -0.12 3.43 2.01 -1.26 -2.06 115.64 122.78 3dvn s THR 12 Ca 0.14 0.37 0.02 0.00 0.31 0.00 0.00 61.69 62.53 3dvn s THR 12 Cb -0.12 -3.59 -0.01 0.00 0.01 0.00 0.00 72.50 68.79 3dvn s THR 12 CO 0.03 0.28 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.42 3dvn s ILE 13 N 1.41 2.53 -0.18 1.82 1.01 -0.28 -4.92 121.20 122.59 3dvn s ILE 13 Ca 0.11 -0.85 -0.05 0.00 0.00 0.00 0.00 60.65 59.87 3dvn s ILE 13 Cb -0.15 -2.02 -0.03 0.00 0.01 0.00 0.00 42.46 40.28 3dvn s ILE 13 CO 0.07 0.54 -0.01 -0.89 0.00 0.00 0.00 174.94 174.65 3dvn s THR 14 N 0.36 3.98 0.06 2.92 2.01 -1.26 -0.80 115.64 122.91 3dvn s THR 14 Ca -0.15 -0.32 0.08 0.00 0.31 0.00 0.00 61.69 61.62 3dvn s THR 14 Cb -0.17 -2.77 -0.03 0.00 0.01 0.00 0.00 72.50 69.54 3dvn s THR 14 CO 0.07 0.46 -0.22 -0.76 -0.69 0.00 0.00 174.62 173.48 3dvn s LEU 15 N 0.68 2.20 -0.49 4.42 1.43 -1.10 -5.00 118.68 120.82 3dvn s LEU 15 Ca -0.01 -0.58 -0.19 0.00 -1.03 0.00 0.00 54.13 52.32 3dvn s LEU 15 Cb -0.14 -1.04 0.05 0.00 0.03 0.00 0.00 46.19 45.09 3dvn s LEU 15 CO 0.02 0.16 0.62 -1.61 0.23 0.00 0.00 176.35 175.77 3dvn s GLU 16 N -1.39 3.14 0.14 1.70 0.41 -1.26 -2.37 118.70 119.07 3dvn s GLU 16 Ca 0.09 -0.82 0.09 0.00 -0.41 0.00 0.00 54.97 53.92 3dvn s GLU 16 Cb -0.09 -4.07 -0.04 0.00 -1.78 0.00 0.00 34.13 28.15 3dvn s GLU 16 CO 0.03 -1.17 -0.21 0.14 -0.49 0.00 0.00 175.26 173.56 3dvn s VAL 17 N 2.63 1.87 -0.06 2.63 -7.23 0.59 -4.84 120.40 115.99 3dvn s VAL 17 Ca 0.16 -1.76 -0.03 0.00 -1.81 0.00 0.00 61.98 58.54 3dvn s VAL 17 Cb -0.18 -1.77 -0.04 0.00 0.56 0.00 0.00 36.38 34.95 3dvn s VAL 17 CO 0.13 -0.15 0.10 -1.61 -0.31 0.00 0.00 175.10 173.26 3dvn s GLU 18 N -2.34 3.24 0.65 4.82 2.02 -1.26 0.74 118.70 126.57 3dvn s GLU 18 Ca 0.12 -0.32 0.41 0.00 0.02 0.00 0.00 54.97 55.20 3dvn s GLU 18 Cb -0.08 -3.00 2.25 0.00 0.10 0.00 0.00 34.13 33.40 3dvn s GLU 18 CO 0.06 0.71 2.31 -1.35 0.02 0.00 0.00 175.26 177.01 3dvn h PRO 19 N 4.61 0.00 -0.31 0.39 0.11 -1.94 0.25 132.00 135.12 3dvn h PRO 19 Ca -0.52 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3dvn h PRO 19 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3dvn h PRO 19 CO 0.60 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.26 3dvn n SER 20 N -3.23 1.86 -4.73 -2.05 3.41 -1.26 -0.30 113.62 107.32 3dvn n SER 20 Ca -0.03 -1.92 -0.41 0.00 -0.26 0.00 0.00 58.87 56.25 3dvn n SER 20 Cb 0.11 -0.20 -0.04 0.00 -0.26 0.00 0.00 64.21 63.81 3dvn n SER 20 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3dvn s ASP 21 N -1.16 7.30 0.68 4.04 1.01 0.88 -4.85 116.67 124.57 3dvn s ASP 21 Ca 0.26 2.02 -0.14 0.00 0.71 0.00 0.00 52.55 55.41 3dvn s ASP 21 Cb 0.14 -2.60 0.01 0.00 1.01 0.00 0.00 42.92 41.48 3dvn s ASP 21 CO 0.19 -0.21 1.11 0.42 0.21 0.00 0.00 175.17 176.89 3dvn s THR 22 N -0.09 3.22 0.37 -1.27 -4.23 -1.26 -1.41 115.64 110.96 3dvn s THR 22 Ca 0.50 0.53 0.07 0.00 -1.18 0.00 0.00 61.69 61.61 3dvn s THR 22 Cb -0.28 -3.05 0.30 0.00 1.34 0.00 0.00 72.50 70.81 3dvn s THR 22 CO 0.33 -0.38 1.96 0.40 -0.54 0.00 0.00 174.62 176.40 3dvn h ILE 23 N -0.21 1.01 -0.52 2.99 1.08 -0.50 -1.15 117.51 120.21 3dvn h ILE 23 Ca -0.46 -0.24 -0.02 0.00 -0.39 0.00 0.00 64.86 63.75 3dvn h ILE 23 Cb 1.25 0.24 -0.03 0.00 -3.07 0.00 0.00 36.82 35.21 3dvn h ILE 23 CO 0.53 0.13 0.26 -0.33 -0.69 0.00 0.00 178.15 178.05 3dvn h GLU 24 N 0.71 0.72 -0.59 2.37 3.07 -1.80 -2.31 114.58 116.76 3dvn h GLU 24 Ca 0.30 -0.08 0.01 0.00 -0.50 0.00 0.00 59.36 59.09 3dvn h GLU 24 Cb 0.28 -0.14 -0.03 0.00 -0.84 0.00 0.00 28.75 28.01 3dvn h GLU 24 CO -0.10 0.56 0.38 -0.91 -1.40 0.00 0.00 179.01 177.54 3dvn h ASN 25 N 0.73 0.65 0.70 1.42 -0.26 -1.53 -1.79 115.58 115.49 3dvn h ASN 25 Ca 0.18 -0.01 -0.03 0.00 -0.56 0.00 0.00 56.30 55.88 3dvn h ASN 25 Cb 0.06 -0.16 0.01 0.00 -1.06 0.00 0.00 38.32 37.17 3dvn h ASN 25 CO -0.03 0.47 -0.34 0.58 -1.06 0.00 0.00 177.43 177.06 3dvn h VAL 26 N 0.78 0.30 -0.91 2.81 2.07 -1.28 0.64 116.25 120.66 3dvn h VAL 26 Ca 0.22 -0.04 0.17 0.00 0.82 0.00 0.00 66.70 67.87 3dvn h VAL 26 Cb -0.07 0.32 -0.08 0.00 -1.52 0.00 0.00 31.29 29.94 3dvn h VAL 26 CO -0.06 0.00 0.59 0.11 0.02 0.00 0.00 177.57 178.24 3dvn h LYS 27 N -0.96 0.59 -0.18 1.57 1.57 -1.34 0.32 116.57 118.14 3dvn h LYS 27 Ca -0.10 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.62 3dvn h LYS 27 Cb 0.73 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.90 3dvn h LYS 27 CO 0.16 0.39 0.01 0.00 -0.57 0.00 0.00 179.45 179.44 3dvn h ALA 28 N 1.61 0.24 0.00 3.86 0.00 -1.08 -2.23 119.26 121.66 3dvn h ALA 28 Ca 0.48 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 3dvn h ALA 28 Cb 0.91 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 3dvn h ALA 28 CO -0.23 -0.07 -0.08 0.87 0.00 0.00 0.00 179.25 179.75 3dvn h LYS 29 N 0.07 0.00 -0.31 0.00 1.57 0.16 -1.00 116.57 117.06 3dvn h LYS 29 Ca 0.05 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.68 3dvn h LYS 29 Cb 0.36 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 3dvn h LYS 29 CO 0.01 0.08 -0.41 0.82 -0.57 0.00 0.00 179.45 179.37 3dvn h ILE 30 N 0.00 1.29 0.00 1.86 2.04 -0.36 -3.08 117.51 119.26 3dvn h ILE 30 Ca -0.00 -1.59 -0.02 0.00 1.00 0.00 0.00 64.86 64.25 3dvn h ILE 30 Cb 0.16 1.49 -0.00 0.00 -0.74 0.00 0.00 36.82 37.72 3dvn h ILE 30 CO 0.01 0.52 -0.10 -0.61 0.00 0.00 0.00 178.15 177.97 3dvn h GLN 31 N 0.62 0.00 0.00 2.37 4.15 -0.56 -1.64 115.11 120.05 3dvn h GLN 31 Ca 0.05 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.47 3dvn h GLN 31 Cb 0.97 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.66 3dvn h GLN 31 CO 0.09 0.10 0.00 -0.25 -1.93 0.00 0.00 178.83 176.84 3dvn n ASP 32 N -3.51 0.55 0.00 -0.69 8.00 -1.02 -2.49 116.55 117.39 3dvn n ASP 32 Ca -0.02 0.59 0.00 0.00 0.71 0.00 0.00 54.79 56.08 3dvn n ASP 32 Cb 0.24 -0.73 0.00 0.00 -0.02 0.00 0.00 41.12 40.61 3dvn n ASP 32 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3dvn n LYS 33 N -2.06 2.90 -0.02 -1.24 5.02 -0.98 -4.86 118.16 116.92 3dvn n LYS 33 Ca 0.04 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.32 3dvn n LYS 33 Cb 0.30 -0.96 -0.06 0.00 -0.02 0.00 0.00 35.03 34.30 3dvn n LYS 33 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3dvn n GLU 34 N -1.76 1.83 -1.15 1.97 -0.58 -0.66 -5.03 120.64 115.27 3dvn n GLU 34 Ca 0.00 -0.03 0.00 0.00 -0.42 0.00 0.00 57.16 56.71 3dvn n GLU 34 Cb 0.35 -1.18 0.00 0.00 -0.57 0.00 0.00 31.44 30.04 3dvn n GLU 34 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3dvn n GLY 35 N 2.37 0.46 3.65 0.62 0.00 -1.04 -5.03 105.19 106.22 3dvn n GLY 35 Ca -0.08 -0.94 -0.40 0.00 0.00 0.00 0.00 46.02 44.60 3dvn n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dvn s ILE 36 N -2.00 5.03 0.08 -0.61 -1.09 -1.26 -5.02 121.20 116.33 3dvn s ILE 36 Ca 0.00 1.11 -0.31 0.00 -2.23 0.00 0.00 60.65 59.22 3dvn s ILE 36 Cb 0.00 -3.92 -0.08 0.00 -1.58 0.00 0.00 42.46 36.89 3dvn s ILE 36 CO 0.00 0.10 1.48 -2.16 -1.23 0.00 0.00 174.94 173.13 3dvn s PRO 37 N 2.01 4.27 0.34 2.79 0.04 -1.26 -4.17 135.00 139.02 3dvn s PRO 37 Ca 0.27 2.15 0.11 0.00 0.04 0.00 0.00 61.00 63.57 3dvn s PRO 37 Cb -0.16 -3.40 1.04 0.00 0.04 0.00 0.00 34.50 32.02 3dvn s PRO 37 CO 0.10 -0.57 1.59 -1.35 0.04 0.00 0.00 177.00 176.81 3dvn h PRO 38 N 7.43 0.04 0.00 0.56 0.11 -1.96 0.58 132.00 138.75 3dvn h PRO 38 Ca -0.41 -0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.62 3dvn h PRO 38 Cb 1.20 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 3dvn h PRO 38 CO 0.90 0.02 -0.37 0.38 -0.21 0.00 0.00 178.00 178.72 3dvn h ASP 39 N 0.04 0.00 0.17 -2.05 2.03 -1.96 -2.26 116.42 112.39 3dvn h ASP 39 Ca 0.72 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 57.02 3dvn h ASP 39 Cb 1.72 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.22 3dvn h ASP 39 CO -0.82 0.37 -0.02 0.00 -1.03 0.00 0.00 179.24 177.74 3dvn n GLN 40 N -3.73 0.92 -3.72 4.15 6.02 0.19 -4.88 117.38 116.33 3dvn n GLN 40 Ca -0.01 -0.16 -0.30 0.00 -0.01 0.00 0.00 57.00 56.51 3dvn n GLN 40 Cb 0.46 -1.50 -0.04 0.00 1.02 0.00 0.00 30.24 30.18 3dvn n GLN 40 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3dvn s GLN 41 N -2.20 3.56 -0.14 -1.09 -0.21 -0.85 0.02 119.66 118.75 3dvn s GLN 41 Ca 0.39 -0.21 -0.04 0.00 0.02 0.00 0.00 55.36 55.53 3dvn s GLN 41 Cb 0.21 -2.88 0.07 0.00 1.00 0.00 0.00 33.01 31.41 3dvn s GLN 41 CO 0.40 0.47 0.21 0.50 -2.12 0.00 0.00 175.29 174.75 3dvn s ARG 42 N -2.81 0.12 -0.08 2.91 3.52 -0.96 -4.95 118.95 116.71 3dvn s ARG 42 Ca 0.39 0.47 -0.04 0.00 -0.13 0.00 0.00 55.73 56.42 3dvn s ARG 42 Cb -0.12 -0.58 -0.04 0.00 -1.56 0.00 0.00 34.95 32.66 3dvn s ARG 42 CO 0.26 -0.43 0.10 -0.51 -0.81 0.00 0.00 175.30 173.91 3dvn s LEU 43 N 2.34 4.11 -0.10 -0.88 1.43 -1.26 -0.85 118.68 123.46 3dvn s LEU 43 Ca 0.04 0.32 0.01 0.00 -1.03 0.00 0.00 54.13 53.47 3dvn s LEU 43 Cb -0.13 -2.12 0.02 0.00 0.03 0.00 0.00 46.19 43.98 3dvn s LEU 43 CO -0.09 0.36 -0.12 -0.63 0.23 0.00 0.00 176.35 176.10 3dvn s ILE 44 N -1.06 1.28 -0.17 -0.59 -1.09 0.32 -2.95 121.20 116.93 3dvn s ILE 44 Ca 0.18 -0.50 0.00 0.00 -2.23 0.00 0.00 60.65 58.10 3dvn s ILE 44 Cb -0.12 -1.20 0.01 0.00 -1.58 0.00 0.00 42.46 39.57 3dvn s ILE 44 CO 0.07 0.40 -0.16 0.12 -1.23 0.00 0.00 174.94 174.14 3dvn s PHE 45 N 1.16 2.79 -1.49 3.97 5.36 -1.24 0.08 117.98 128.61 3dvn s PHE 45 Ca -0.04 -1.28 -0.09 0.00 -0.96 0.00 0.00 56.93 54.55 3dvn s PHE 45 Cb -0.14 -1.92 0.07 0.00 -0.34 0.00 0.00 43.02 40.68 3dvn s PHE 45 CO -0.03 -0.62 0.79 0.00 -1.46 0.00 0.00 175.22 173.90 3dvn n ALA 46 N 4.36 -1.56 -3.34 11.12 0.00 -1.26 -2.01 120.51 127.82 3dvn n ALA 46 Ca -0.20 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.06 3dvn n ALA 46 Cb 0.51 -3.26 0.06 0.00 0.00 0.00 0.00 19.45 16.77 3dvn n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dvn n GLY 47 N -1.67 -0.21 3.30 0.00 0.00 -1.26 -5.04 105.19 100.32 3dvn n GLY 47 Ca -0.09 0.04 -0.16 0.00 0.00 0.00 0.00 46.02 45.81 3dvn n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dvn s LYS 48 N -5.96 1.21 -0.04 1.61 -0.14 -0.85 -5.13 119.74 110.44 3dvn s LYS 48 Ca 0.43 -1.53 -0.26 0.00 -1.36 0.00 0.00 55.97 53.24 3dvn s LYS 48 Cb -0.19 -0.85 -0.03 0.00 -1.68 0.00 0.00 37.83 35.07 3dvn s LYS 48 CO 0.57 0.11 0.81 -1.14 -0.76 0.00 0.00 175.35 174.94 3dvn s GLN 49 N -3.71 4.49 -0.74 1.68 0.74 -1.26 -3.73 119.66 117.13 3dvn s GLN 49 Ca 0.20 1.10 -0.12 0.00 0.05 0.00 0.00 55.36 56.58 3dvn s GLN 49 Cb 0.01 -3.45 0.19 0.00 1.10 0.00 0.00 33.01 30.87 3dvn s GLN 49 CO 0.04 0.02 0.66 -0.51 -0.55 0.00 0.00 175.29 174.95 3dvn s LEU 50 N 0.87 6.41 0.45 3.68 1.43 -1.15 -4.98 118.68 125.39 3dvn s LEU 50 Ca 0.43 -2.55 -0.24 0.00 -1.03 0.00 0.00 54.13 50.74 3dvn s LEU 50 Cb -0.19 -2.15 -0.08 0.00 0.03 0.00 0.00 46.19 43.81 3dvn s LEU 50 CO 0.22 -0.59 1.24 -1.61 0.23 0.00 0.00 176.35 175.84 3dvn s GLU 51 N 0.39 3.77 0.35 1.70 2.02 -1.26 -4.70 118.70 120.97 3dvn s GLU 51 Ca 0.15 1.99 0.03 0.00 0.02 0.00 0.00 54.97 57.16 3dvn s GLU 51 Cb -0.15 -2.54 0.66 0.00 0.10 0.00 0.00 34.13 32.19 3dvn s GLU 51 CO -0.06 -0.61 1.99 -0.44 0.02 0.00 0.00 175.26 176.16 3dvn h ASP 52 N 2.25 0.65 -0.08 -0.19 3.45 -1.97 -2.83 116.42 117.70 3dvn h ASP 52 Ca -0.50 -0.04 0.00 0.00 0.43 0.00 0.00 57.03 56.93 3dvn h ASP 52 Cb 1.25 -0.16 0.00 0.00 -0.56 0.00 0.00 39.33 39.86 3dvn h ASP 52 CO 0.61 0.52 0.00 0.61 -1.57 0.00 0.00 179.24 179.40 3dvn n GLY 53 N -1.32 -0.24 3.46 2.75 0.00 -1.26 -2.96 105.19 105.61 3dvn n GLY 53 Ca 0.05 -0.09 -0.28 0.00 0.00 0.00 0.00 46.02 45.70 3dvn n GLY 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dvn s ARG 54 N -1.78 1.67 0.47 1.61 0.52 -1.07 -4.97 118.95 115.41 3dvn s ARG 54 Ca 0.06 -1.39 -0.01 0.00 -0.52 0.00 0.00 55.73 53.87 3dvn s ARG 54 Cb 0.03 -1.97 -0.01 0.00 0.52 0.00 0.00 34.95 33.53 3dvn s ARG 54 CO 0.03 0.43 0.71 0.95 0.02 0.00 0.00 175.30 177.44 3dvn s THR 55 N -1.51 4.07 0.32 0.02 -4.23 -1.26 -0.06 115.64 112.99 3dvn s THR 55 Ca 0.20 -0.36 0.01 0.00 -1.18 0.00 0.00 61.69 60.37 3dvn s THR 55 Cb -0.09 -3.52 0.27 0.00 1.34 0.00 0.00 72.50 70.50 3dvn s THR 55 CO 0.11 -0.41 1.96 -0.07 -0.54 0.00 0.00 174.62 175.67 3dvn h LEU 56 N 0.31 0.84 -2.24 4.79 3.38 -1.07 -1.42 115.31 119.90 3dvn h LEU 56 Ca -0.46 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.49 3dvn h LEU 56 Cb 1.25 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.80 3dvn h LEU 56 CO 0.58 0.58 -0.04 0.77 0.09 0.00 0.00 178.44 180.42 3dvn h SER 57 N 0.98 0.00 0.62 -0.43 4.64 -0.92 -2.39 113.55 116.04 3dvn h SER 57 Ca 0.31 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.57 3dvn h SER 57 Cb 0.03 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.11 3dvn h SER 57 CO -0.09 0.04 -0.27 0.44 -0.87 0.00 0.00 176.83 176.08 3dvn h ASP 58 N 0.00 0.00 -0.30 4.97 3.45 -1.52 -2.98 116.42 120.04 3dvn h ASP 58 Ca -0.00 0.00 -0.06 0.00 0.43 0.00 0.00 57.03 57.40 3dvn h ASP 58 Cb 0.23 0.00 -0.04 0.00 -0.56 0.00 0.00 39.33 38.96 3dvn h ASP 58 CO 0.01 0.27 0.00 -1.22 -1.57 0.00 0.00 179.24 176.73 3dvn n TYR 59 N -3.65 1.04 -3.97 4.55 4.02 -1.01 -4.96 117.16 113.17 3dvn n TYR 59 Ca -0.01 -1.09 -0.32 0.00 -0.01 0.00 0.00 57.90 56.47 3dvn n TYR 59 Cb 0.39 -0.38 0.01 0.00 -0.02 0.00 0.00 39.34 39.35 3dvn n TYR 59 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 3dvn n ASN 60 N -0.70 -4.45 -4.70 7.72 2.85 -1.13 -4.93 115.26 109.93 3dvn n ASN 60 Ca 0.25 -0.82 -0.42 0.00 -0.11 0.00 0.00 54.58 53.49 3dvn n ASN 60 Cb 0.95 -3.57 -0.03 0.00 1.24 0.00 0.00 39.78 38.38 3dvn n ASN 60 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 3dvn s ILE 61 N -3.27 4.83 0.00 -1.44 1.01 -0.93 -5.03 121.20 116.35 3dvn s ILE 61 Ca 0.68 2.05 0.00 0.00 0.00 0.00 0.00 60.65 63.38 3dvn s ILE 61 Cb -0.35 -4.32 0.00 0.00 0.01 0.00 0.00 42.46 37.81 3dvn s ILE 61 CO 0.84 0.08 0.00 0.00 0.00 0.00 0.00 174.94 175.86 3dvn n GLN 62 N 4.48 1.09 -1.55 2.79 6.02 -1.26 -4.64 117.38 124.31 3dvn n GLN 62 Ca 0.07 0.00 -0.50 0.00 -0.01 0.00 0.00 57.00 56.57 3dvn n GLN 62 Cb 0.50 0.00 -0.06 0.00 1.02 0.00 0.00 30.24 31.70 3dvn n GLN 62 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3dvn n LYS 63 N 0.00 1.48 -3.25 -1.09 5.02 -1.26 -1.96 118.16 117.09 3dvn n LYS 63 Ca 0.00 0.46 -0.16 0.00 -2.02 0.00 0.00 58.31 56.59 3dvn n LYS 63 Cb 0.00 -2.60 0.06 0.00 -0.02 0.00 0.00 35.03 32.48 3dvn n LYS 63 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3dvn n GLU 64 N 7.68 -5.69 -2.11 1.97 1.02 0.16 -5.03 120.64 118.63 3dvn n GLU 64 Ca 0.34 0.62 -0.28 0.00 -0.02 0.00 0.00 57.16 57.82 3dvn n GLU 64 Cb 0.27 -5.02 0.05 0.00 -0.02 0.00 0.00 31.44 26.72 3dvn n GLU 64 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 3dvn s SER 65 N -3.44 5.35 -0.12 1.62 0.01 -0.83 -4.78 113.70 111.51 3dvn s SER 65 Ca 0.32 0.87 0.02 0.00 1.31 0.00 0.00 55.95 58.48 3dvn s SER 65 Cb -0.14 -1.70 0.00 0.00 0.21 0.00 0.00 66.02 64.39 3dvn s SER 65 CO 0.54 -1.32 -0.21 -0.89 0.41 0.00 0.00 173.24 171.78 3dvn s THR 66 N -3.23 2.30 0.10 1.44 2.01 -1.26 0.28 115.64 117.28 3dvn s THR 66 Ca 0.57 -0.92 0.07 0.00 0.31 0.00 0.00 61.69 61.72 3dvn s THR 66 Cb -0.11 -1.92 -0.04 0.00 0.01 0.00 0.00 72.50 70.45 3dvn s THR 66 CO 0.48 0.54 -0.08 -0.76 -0.69 0.00 0.00 174.62 174.12 3dvn s LEU 67 N 0.55 3.13 -0.32 4.42 1.43 0.16 -4.70 118.68 123.34 3dvn s LEU 67 Ca -0.12 -0.34 -0.06 0.00 -1.03 0.00 0.00 54.13 52.57 3dvn s LEU 67 Cb -0.17 -1.91 0.03 0.00 0.03 0.00 0.00 46.19 44.17 3dvn s LEU 67 CO 0.04 0.18 0.09 -1.00 0.23 0.00 0.00 176.35 175.89 3dvn s HIS 68 N -1.24 3.23 -0.19 0.29 3.76 0.11 -0.70 115.29 120.56 3dvn s HIS 68 Ca 0.22 -1.36 -0.19 0.00 -0.15 0.00 0.00 55.06 53.58 3dvn s HIS 68 Cb -0.11 -2.25 -0.03 0.00 1.11 0.00 0.00 32.58 31.29 3dvn s HIS 68 CO 0.15 -0.70 0.54 -1.17 -0.85 0.00 0.00 174.74 172.70 3dvn s LEU 69 N 1.41 4.17 -0.22 0.89 2.96 -1.01 -0.52 118.68 126.36 3dvn s LEU 69 Ca -0.01 0.73 0.01 0.00 -0.22 0.00 0.00 54.13 54.64 3dvn s LEU 69 Cb -0.19 -2.75 0.03 0.00 0.50 0.00 0.00 46.19 43.79 3dvn s LEU 69 CO 0.02 -0.17 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.05 3dvn s VAL 70 N 1.54 2.34 0.61 1.68 1.01 -0.03 -4.25 120.40 123.28 3dvn s VAL 70 Ca 0.25 -1.12 -0.17 0.00 0.00 0.00 0.00 61.98 60.94 3dvn s VAL 70 Cb -0.15 -2.14 -0.03 0.00 0.00 0.00 0.00 36.38 34.06 3dvn s VAL 70 CO 0.10 0.31 1.14 -0.76 0.00 0.00 0.00 175.10 175.89 3dvn s LEU 71 N 1.26 3.56 -0.03 3.92 1.43 -1.26 -2.27 118.68 125.29 3dvn s LEU 71 Ca 0.00 2.15 0.02 0.00 -1.03 0.00 0.00 54.13 55.28 3dvn s LEU 71 Cb -0.16 -4.57 0.01 0.00 0.03 0.00 0.00 46.19 41.50 3dvn s LEU 71 CO -0.08 -1.52 -0.08 -0.13 0.23 0.00 0.00 176.35 174.77 3dvn s ARG 72 N -3.65 0.88 0.00 1.70 1.81 0.10 -4.94 118.95 114.86 3dvn s ARG 72 Ca 0.71 -0.25 0.00 0.00 -1.72 0.00 0.00 55.73 54.47 3dvn s ARG 72 Cb -0.24 -0.84 0.00 0.00 -0.45 0.00 0.00 34.95 33.43 3dvn s ARG 72 CO 0.35 0.07 0.00 1.28 -0.68 0.00 0.00 175.30 176.32