#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dt7 n SER 1 N 0.00 -5.33 -0.15 7.83 7.64 -1.26 -4.78 113.62 117.57 1dt7 n SER 1 Ca 0.00 0.27 0.00 0.00 1.01 0.00 0.00 58.87 60.15 1dt7 n SER 1 Cb 0.00 -4.60 0.00 0.00 -1.01 0.00 0.00 64.21 58.60 1dt7 n SER 1 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1dt7 n GLU 2 N -2.61 0.80 -0.10 1.43 0.28 -1.26 -3.84 120.64 115.35 1dt7 n GLU 2 Ca -0.21 0.00 0.06 0.00 -0.16 0.00 0.00 57.16 56.84 1dt7 n GLU 2 Cb 0.66 -1.12 0.39 0.00 1.43 0.00 0.00 31.44 32.80 1dt7 n GLU 2 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 1dt7 h LEU 3 N 0.06 0.57 -1.00 -1.84 5.85 -2.00 -1.37 115.31 115.57 1dt7 h LEU 3 Ca 0.00 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.72 1dt7 h LEU 3 Cb 0.12 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 40.97 1dt7 h LEU 3 CO 0.00 0.39 0.66 -0.08 -0.34 0.00 0.00 178.44 179.06 1dt7 h GLU 4 N 0.66 1.32 -0.61 1.25 4.81 -1.98 -1.90 114.58 118.12 1dt7 h GLU 4 Ca 0.24 -0.09 -0.10 0.00 -0.13 0.00 0.00 59.36 59.28 1dt7 h GLU 4 Cb 0.13 -0.30 -0.02 0.00 0.63 0.00 0.00 28.75 29.19 1dt7 h GLU 4 CO -0.07 0.88 -0.01 -0.22 -0.73 0.00 0.00 179.01 178.87 1dt7 h LYS 5 N 1.36 1.08 -0.41 1.92 3.64 -1.56 -2.74 116.57 119.86 1dt7 h LYS 5 Ca 0.37 -0.35 -0.15 0.00 -1.27 0.00 0.00 60.65 59.24 1dt7 h LYS 5 Cb -0.15 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.57 1dt7 h LYS 5 CO -0.08 1.06 -0.35 0.00 -2.27 0.00 0.00 179.45 177.81 1dt7 h ALA 6 N 0.99 0.60 -0.46 5.00 0.00 -1.06 -1.89 119.26 122.43 1dt7 h ALA 6 Ca 0.17 -0.44 -0.11 0.00 0.00 0.00 0.00 54.91 54.53 1dt7 h ALA 6 Cb 0.57 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1dt7 h ALA 6 CO 0.03 0.68 -0.15 0.52 0.00 0.00 0.00 179.25 180.33 1dt7 h MET 7 N 0.80 0.87 -0.29 0.00 2.86 -1.35 -2.35 114.93 115.48 1dt7 h MET 7 Ca 0.07 -0.33 -0.13 0.00 -2.06 0.00 0.00 59.70 57.25 1dt7 h MET 7 Cb 0.94 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.54 1dt7 h MET 7 CO 0.09 0.97 -0.37 0.28 1.06 0.00 0.00 176.91 178.94 1dt7 h VAL 8 N 0.77 1.29 -0.39 -2.22 2.07 -1.44 -3.16 116.25 113.17 1dt7 h VAL 8 Ca 0.12 -1.52 -0.15 0.00 0.82 0.00 0.00 66.70 65.96 1dt7 h VAL 8 Cb 0.68 1.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.91 1dt7 h VAL 8 CO 0.05 0.49 -0.36 0.00 0.02 0.00 0.00 177.57 177.77 1dt7 h ALA 9 N 1.05 0.61 -1.00 1.67 0.00 -1.11 -2.02 119.26 118.46 1dt7 h ALA 9 Ca 0.05 -0.45 0.01 0.00 0.00 0.00 0.00 54.91 54.53 1dt7 h ALA 9 Cb 0.88 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.49 1dt7 h ALA 9 CO 0.08 0.68 0.66 -0.07 0.00 0.00 0.00 179.25 180.60 1dt7 h LEU 10 N 0.76 1.15 -0.51 0.00 3.38 -1.41 -1.93 115.31 116.75 1dt7 h LEU 10 Ca 0.07 -0.03 -0.15 0.00 0.09 0.00 0.00 57.88 57.86 1dt7 h LEU 10 Cb 0.95 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 1dt7 h LEU 10 CO 0.09 0.83 -0.37 0.40 0.09 0.00 0.00 178.44 179.48 1dt7 h ILE 11 N 1.36 1.28 -0.54 1.22 2.04 -1.50 -2.62 117.51 118.74 1dt7 h ILE 11 Ca 0.37 -1.54 0.00 0.00 1.00 0.00 0.00 64.86 64.69 1dt7 h ILE 11 Cb -0.16 1.41 -0.03 0.00 -0.74 0.00 0.00 36.82 37.31 1dt7 h ILE 11 CO -0.08 0.51 0.35 -0.78 0.00 0.00 0.00 178.15 178.15 1dt7 h ASP 12 N 0.67 0.62 -0.37 1.72 1.82 -0.60 -2.70 116.42 117.59 1dt7 h ASP 12 Ca 0.06 -0.02 -0.14 0.00 -0.39 0.00 0.00 57.03 56.53 1dt7 h ASP 12 Cb 0.93 -0.16 -0.01 0.00 0.68 0.00 0.00 39.33 40.78 1dt7 h ASP 12 CO 0.09 0.46 -0.32 0.58 -1.61 0.00 0.00 179.24 178.44 1dt7 h VAL 13 N 0.73 1.27 -1.00 2.25 2.07 -1.45 -2.85 116.25 117.28 1dt7 h VAL 13 Ca 0.20 -1.49 0.16 0.00 0.82 0.00 0.00 66.70 66.39 1dt7 h VAL 13 Cb -0.07 1.30 -0.10 0.00 -1.52 0.00 0.00 31.29 30.90 1dt7 h VAL 13 CO -0.04 0.50 0.62 0.15 0.02 0.00 0.00 177.57 178.82 1dt7 h PHE 14 N 0.75 1.08 0.00 1.57 3.57 -1.15 0.82 116.94 123.58 1dt7 h PHE 14 Ca 0.08 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.60 1dt7 h PHE 14 Cb 0.89 -0.33 -0.00 0.00 2.79 0.00 0.00 35.95 39.30 1dt7 h PHE 14 CO 0.05 0.33 -0.07 0.45 -2.23 0.00 0.00 178.31 176.84 1dt7 h HIS 15 N 0.85 0.00 -0.47 0.41 3.86 -1.27 -1.62 115.15 116.91 1dt7 h HIS 15 Ca 0.54 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.75 1dt7 h HIS 15 Cb 0.73 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.18 1dt7 h HIS 15 CO -0.00 0.07 0.31 0.37 0.86 0.00 0.00 177.93 179.54 1dt7 h GLN 16 N 0.00 0.62 0.02 2.45 4.15 0.78 -2.65 115.11 120.47 1dt7 h GLN 16 Ca -0.00 -0.04 -0.36 0.00 0.77 0.00 0.00 58.65 59.02 1dt7 h GLN 16 Cb 0.55 -0.14 -0.06 0.00 0.21 0.00 0.00 27.48 28.04 1dt7 h GLN 16 CO 0.01 0.41 -2.27 0.66 -1.93 0.00 0.00 178.83 175.70 1dt7 n TYR 17 N -4.76 0.30 -0.24 3.99 4.02 -1.17 -4.10 117.16 115.20 1dt7 n TYR 17 Ca 0.02 0.08 -0.06 0.00 -0.01 0.00 0.00 57.90 57.93 1dt7 n TYR 17 Cb 0.02 -1.05 0.05 0.00 -0.02 0.00 0.00 39.34 38.34 1dt7 n TYR 17 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 1dt7 h SER 18 N 0.01 0.79 0.80 7.72 0.87 -1.36 -1.41 113.55 120.97 1dt7 h SER 18 Ca -0.51 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 59.99 1dt7 h SER 18 Cb 2.07 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 63.83 1dt7 h SER 18 CO 0.00 0.62 0.00 0.61 -0.53 0.00 0.00 176.83 177.53 1dt7 n GLY 19 N -1.17 -1.28 0.27 5.77 0.00 -1.00 -3.18 105.19 104.61 1dt7 n GLY 19 Ca 0.05 -0.04 -0.05 0.00 0.00 0.00 0.00 46.02 45.98 1dt7 n GLY 19 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1dt7 h ARG 20 N 0.00 0.91 -5.93 1.61 2.43 -1.40 -3.44 114.38 108.56 1dt7 h ARG 20 Ca 0.00 -0.06 -0.56 0.00 -0.81 0.00 0.00 59.98 58.55 1dt7 h ARG 20 Cb 0.40 -0.21 -0.08 0.00 -0.42 0.00 0.00 29.97 29.66 1dt7 h ARG 20 CO 0.00 0.60 -0.50 -1.21 -1.51 0.00 0.00 179.97 177.36 1dt7 s GLU 21 N -6.14 2.24 0.47 0.20 2.02 -1.19 -5.02 118.70 111.29 1dt7 s GLU 21 Ca -0.13 -1.81 0.16 0.00 0.02 0.00 0.00 54.97 53.22 1dt7 s GLU 21 Cb 0.14 -2.01 1.15 0.00 0.10 0.00 0.00 34.13 33.52 1dt7 s GLU 21 CO 0.77 -0.10 2.03 0.78 0.02 0.00 0.00 175.26 178.76 1dt7 h GLY 22 N 1.43 0.32 -6.10 -1.39 0.00 -1.85 -3.26 103.07 92.21 1dt7 h GLY 22 Ca -0.43 -0.10 -0.63 0.00 0.00 0.00 0.00 47.33 46.17 1dt7 h GLY 22 CO 0.69 0.07 2.69 1.34 0.00 0.00 0.00 176.54 181.32 1dt7 n ASP 23 N -4.46 3.63 -0.12 0.19 2.03 -1.26 -4.59 116.55 111.97 1dt7 n ASP 23 Ca 0.07 -2.67 -0.13 0.00 0.52 0.00 0.00 54.79 52.57 1dt7 n ASP 23 Cb 0.34 -1.30 -0.03 0.00 -0.72 0.00 0.00 41.12 39.42 1dt7 n ASP 23 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 1dt7 h LYS 24 N 6.94 0.94 0.00 -0.67 3.64 -1.62 -3.09 116.57 122.72 1dt7 h LYS 24 Ca 0.50 -0.51 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1dt7 h LYS 24 Cb 0.57 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 1dt7 h LYS 24 CO 1.86 1.16 -0.07 -2.39 -2.27 0.00 0.00 179.45 177.74 1dt7 n HIS 25 N -4.06 0.72 -4.03 1.91 1.44 -1.26 -4.69 115.22 105.26 1dt7 n HIS 25 Ca -0.02 0.21 -0.09 0.00 -2.01 0.00 0.00 57.72 55.80 1dt7 n HIS 25 Cb 0.56 -0.83 -0.11 0.00 0.12 0.00 0.00 29.99 29.73 1dt7 n HIS 25 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 1dt7 s LYS 26 N -3.09 0.44 -0.17 -1.40 1.02 -1.17 -3.93 119.74 111.44 1dt7 s LYS 26 Ca 0.11 -0.81 -0.02 0.00 0.02 0.00 0.00 55.97 55.26 1dt7 s LYS 26 Cb 0.14 0.07 -0.01 0.00 -0.52 0.00 0.00 37.83 37.50 1dt7 s LYS 26 CO 0.60 -0.05 -0.08 -0.51 -0.92 0.00 0.00 175.35 174.39 1dt7 s LEU 27 N -1.91 2.90 0.22 3.17 1.43 -0.83 -4.61 118.68 119.04 1dt7 s LEU 27 Ca -0.08 -0.31 -0.06 0.00 -1.03 0.00 0.00 54.13 52.64 1dt7 s LEU 27 Cb -0.05 -1.70 -0.06 0.00 0.03 0.00 0.00 46.19 44.41 1dt7 s LEU 27 CO -0.03 0.09 0.48 -0.75 0.23 0.00 0.00 176.35 176.37 1dt7 s LYS 28 N 0.81 3.68 0.63 1.70 2.20 -1.26 -0.58 119.74 126.91 1dt7 s LYS 28 Ca -0.03 0.04 0.18 0.00 -0.36 0.00 0.00 55.97 55.81 1dt7 s LYS 28 Cb -0.15 -2.72 0.77 0.00 -1.51 0.00 0.00 37.83 34.22 1dt7 s LYS 28 CO 0.01 0.34 1.36 1.57 -0.36 0.00 0.00 175.35 178.28 1dt7 h LYS 29 N 2.36 0.00 -0.03 4.03 2.10 -1.92 0.79 116.57 123.90 1dt7 h LYS 29 Ca -0.47 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.17 1dt7 h LYS 29 Cb 1.17 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.50 1dt7 h LYS 29 CO 0.69 0.00 -0.03 1.03 -2.00 0.00 0.00 179.45 179.15 1dt7 h SER 30 N 0.00 0.07 0.17 7.07 0.87 -1.90 -1.92 113.55 117.92 1dt7 h SER 30 Ca 0.21 -0.50 -0.12 0.00 -1.23 0.00 0.00 61.79 60.15 1dt7 h SER 30 Cb 2.04 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 63.97 1dt7 h SER 30 CO -0.00 0.55 -0.45 -0.33 -0.53 0.00 0.00 176.83 176.07 1dt7 h GLU 31 N -0.41 0.34 -0.92 2.24 5.08 0.20 -2.70 114.58 118.42 1dt7 h GLU 31 Ca 0.00 -0.18 0.01 0.00 -1.00 0.00 0.00 59.36 58.19 1dt7 h GLU 31 Cb 0.53 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.74 1dt7 h GLU 31 CO 0.01 0.73 0.61 1.25 -1.00 0.00 0.00 179.01 180.61 1dt7 h LEU 32 N 0.28 1.06 -1.00 1.33 5.85 -1.21 -1.71 115.31 119.90 1dt7 h LEU 32 Ca 0.02 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.72 1dt7 h LEU 32 Cb 0.91 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 41.62 1dt7 h LEU 32 CO 0.08 0.76 0.66 0.50 -0.34 0.00 0.00 178.44 180.10 1dt7 h LYS 33 N 1.25 1.32 -0.32 1.25 1.63 -1.00 -1.90 116.57 118.80 1dt7 h LYS 33 Ca 0.34 -0.08 -0.17 0.00 -0.85 0.00 0.00 60.65 59.89 1dt7 h LYS 33 Cb -0.14 -0.30 -0.00 0.00 -0.60 0.00 0.00 32.23 31.19 1dt7 h LYS 33 CO -0.07 0.88 -0.47 0.93 -3.45 0.00 0.00 179.45 177.26 1dt7 h GLU 34 N 1.36 0.85 0.05 1.90 4.39 -1.29 0.20 114.58 122.04 1dt7 h GLU 34 Ca 0.37 -0.50 -0.00 0.00 0.34 0.00 0.00 59.36 59.57 1dt7 h GLU 34 Cb -0.16 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.53 1dt7 h GLU 34 CO -0.08 1.13 -0.03 1.25 -1.16 0.00 0.00 179.01 180.13 1dt7 h LEU 35 N 0.68 -0.06 -0.12 1.33 6.46 -1.06 -0.89 115.31 121.65 1dt7 h LEU 35 Ca 0.03 -0.18 -0.16 0.00 -0.12 0.00 0.00 57.88 57.46 1dt7 h LEU 35 Cb 1.06 0.02 0.01 0.00 -0.73 0.00 0.00 40.66 41.02 1dt7 h LEU 35 CO 0.11 0.14 -0.54 0.40 -0.62 0.00 0.00 178.44 177.93 1dt7 h ILE 36 N -0.26 1.35 -0.33 4.05 2.04 -1.37 0.19 117.51 123.17 1dt7 h ILE 36 Ca -0.01 -1.83 -0.15 0.00 1.00 0.00 0.00 64.86 63.87 1dt7 h ILE 36 Cb 0.23 2.12 -0.01 0.00 -0.74 0.00 0.00 36.82 38.43 1dt7 h ILE 36 CO 0.01 0.56 -0.40 -1.13 0.00 0.00 0.00 178.15 177.19 1dt7 h ASN 37 N 0.21 0.86 0.03 1.72 -0.00 -0.64 -3.17 115.58 114.59 1dt7 h ASN 37 Ca -0.03 -0.39 -0.38 0.00 -0.00 0.00 0.00 56.30 55.50 1dt7 h ASN 37 Cb 1.18 -0.24 -0.07 0.00 -0.00 0.00 0.00 38.32 39.19 1dt7 h ASN 37 CO 0.11 1.15 -2.39 -3.20 -0.00 0.00 0.00 177.43 173.11 1dt7 n ASN 38 N -4.04 1.01 0.02 1.15 4.05 -0.34 -4.37 115.26 112.74 1dt7 n ASN 38 Ca -0.02 -0.04 0.14 0.00 0.45 0.00 0.00 54.58 55.11 1dt7 n ASN 38 Cb 0.54 0.25 0.58 0.00 1.23 0.00 0.00 39.78 42.37 1dt7 n ASN 38 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 177.26 175.42 1dt7 n GLU 39 N -3.02 0.05 -2.25 1.20 2.13 0.66 -3.51 120.64 115.90 1dt7 n GLU 39 Ca -0.38 0.04 -0.28 0.00 0.66 0.00 0.00 57.16 57.21 1dt7 n GLU 39 Cb 1.07 -1.56 0.01 0.00 0.27 0.00 0.00 31.44 31.24 1dt7 n GLU 39 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1dt7 n LEU 40 N -1.65 5.15 -0.38 4.31 4.77 -1.20 -4.80 117.00 123.21 1dt7 n LEU 40 Ca 0.07 -5.01 -0.02 0.00 -0.03 0.00 0.00 56.01 51.02 1dt7 n LEU 40 Cb 0.36 -0.50 0.11 0.00 -2.33 0.00 0.00 43.42 41.06 1dt7 n LEU 40 CO 0.28 2.13 1.30 0.28 -1.33 0.00 0.00 177.39 180.04 1dt7 h SER 41 N 2.47 1.15 0.00 -1.43 0.02 -1.76 -3.31 113.55 110.70 1dt7 h SER 41 Ca 0.36 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.28 1dt7 h SER 41 Cb 1.02 -0.29 0.00 0.00 0.14 0.00 0.00 62.40 63.27 1dt7 h SER 41 CO 0.91 0.83 0.00 1.57 -1.14 0.00 0.00 176.83 179.00 1dt7 n HIS 42 N -4.38 0.00 -0.01 3.45 -0.00 -1.26 -4.76 115.22 108.25 1dt7 n HIS 42 Ca 0.12 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.73 1dt7 n HIS 42 Cb 0.01 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 29.95 1dt7 n HIS 42 CO 0.00 0.00 0.00 0.35 -0.00 0.00 0.00 176.34 176.69 1dt7 h PHE 43 N 0.00 0.14 -2.54 1.57 3.04 -1.87 -3.47 116.94 113.81 1dt7 h PHE 43 Ca 0.00 -0.00 0.01 0.00 3.98 0.00 0.00 57.97 61.96 1dt7 h PHE 43 Cb 0.05 -0.05 -0.00 0.00 2.56 0.00 0.00 35.95 38.52 1dt7 h PHE 43 CO 0.00 0.18 0.24 1.47 -2.02 0.00 0.00 178.31 178.18 1dt7 n LEU 44 N -4.96 0.00 -4.54 0.59 -0.00 -1.25 -5.07 117.00 101.77 1dt7 n LEU 44 Ca -0.05 -1.51 -0.35 0.00 -0.00 0.00 0.00 56.01 54.10 1dt7 n LEU 44 Cb 0.07 2.36 -0.07 0.00 -0.00 0.00 0.00 43.42 45.79 1dt7 n LEU 44 CO 0.34 -0.50 2.00 1.21 -0.00 0.00 0.00 177.39 180.44 1dt7 n GLU 45 N -0.39 0.71 -0.84 1.47 4.07 -1.26 -4.78 120.64 119.62 1dt7 n GLU 45 Ca -0.05 -0.09 -0.30 0.00 -0.06 0.00 0.00 57.16 56.66 1dt7 n GLU 45 Cb 0.39 -2.93 0.17 0.00 -0.06 0.00 0.00 31.44 29.00 1dt7 n GLU 45 CO 0.00 0.00 0.00 -1.83 -0.06 0.00 0.00 177.13 175.24 1dt7 s GLU 46 N 8.48 0.90 0.23 5.31 -1.05 -1.26 -4.96 118.70 126.35 1dt7 s GLU 46 Ca 1.08 1.24 -0.30 0.00 -0.15 0.00 0.00 54.97 56.84 1dt7 s GLU 46 Cb -0.45 -1.74 -0.09 0.00 -0.44 0.00 0.00 34.13 31.42 1dt7 s GLU 46 CO 0.31 -2.61 0.94 0.42 0.95 0.00 0.00 175.26 175.27 1dt7 s ILE 47 N -2.70 4.10 -0.04 1.83 -1.09 -1.26 -4.93 121.20 117.09 1dt7 s ILE 47 Ca 0.66 2.09 0.06 0.00 -2.23 0.00 0.00 60.65 61.23 1dt7 s ILE 47 Cb -0.21 -4.33 -0.09 0.00 -1.58 0.00 0.00 42.46 36.25 1dt7 s ILE 47 CO 0.59 0.49 0.07 0.29 -1.23 0.00 0.00 174.94 175.14 1dt7 n LYS 48 N 1.57 2.01 -4.60 2.79 4.01 -1.26 -4.77 118.16 117.92 1dt7 n LYS 48 Ca -0.02 -0.02 -0.28 0.00 -0.51 0.00 0.00 58.31 57.48 1dt7 n LYS 48 Cb 0.47 -1.16 -0.14 0.00 -0.51 0.00 0.00 35.03 33.69 1dt7 n LYS 48 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 1dt7 s GLU 49 N -2.27 1.51 0.52 1.97 0.41 -1.26 -5.01 118.70 114.58 1dt7 s GLU 49 Ca -0.03 -1.19 0.31 0.00 -0.41 0.00 0.00 54.97 53.65 1dt7 s GLU 49 Cb 0.03 -1.82 1.28 0.00 -1.78 0.00 0.00 34.13 31.84 1dt7 s GLU 49 CO 0.27 0.45 1.96 0.37 -0.49 0.00 0.00 175.26 177.82 1dt7 h GLN 50 N 4.36 0.00 -0.99 1.61 5.75 -2.01 -3.05 115.11 120.78 1dt7 h GLN 50 Ca -0.48 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.03 1dt7 h GLN 50 Cb 1.16 0.00 -0.05 0.00 1.07 0.00 0.00 27.48 29.66 1dt7 h GLN 50 CO 0.41 0.07 0.64 1.05 -2.65 0.00 0.00 178.83 178.35 1dt7 h GLU 51 N 0.00 1.32 -1.01 1.69 4.11 -2.00 -1.51 114.58 117.19 1dt7 h GLU 51 Ca -0.00 -0.09 0.01 0.00 0.07 0.00 0.00 59.36 59.35 1dt7 h GLU 51 Cb 0.55 -0.29 -0.05 0.00 0.50 0.00 0.00 28.75 29.46 1dt7 h GLU 51 CO 0.01 0.89 0.67 0.28 0.07 0.00 0.00 179.01 180.92 1dt7 h VAL 52 N 1.35 1.26 -0.68 -1.06 2.07 -1.97 -0.88 116.25 116.35 1dt7 h VAL 52 Ca 0.36 -0.47 -0.04 0.00 0.82 0.00 0.00 66.70 67.37 1dt7 h VAL 52 Cb -0.13 -0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 29.39 1dt7 h VAL 52 CO -0.07 0.25 0.28 0.58 0.02 0.00 0.00 177.57 178.62 1dt7 h VAL 53 N 1.37 1.23 -0.86 2.57 2.07 -1.43 -1.73 116.25 119.46 1dt7 h VAL 53 Ca 0.37 -0.72 -0.02 0.00 0.82 0.00 0.00 66.70 67.15 1dt7 h VAL 53 Cb -0.16 0.42 -0.04 0.00 -1.52 0.00 0.00 31.29 29.99 1dt7 h VAL 53 CO -0.08 0.29 0.45 -0.78 0.02 0.00 0.00 177.57 177.47 1dt7 h ASP 54 N 0.97 1.10 -0.69 0.57 1.82 -0.39 0.18 116.42 119.99 1dt7 h ASP 54 Ca 0.23 -0.11 -0.08 0.00 -0.39 0.00 0.00 57.03 56.68 1dt7 h ASP 54 Cb 0.17 -0.28 -0.03 0.00 0.68 0.00 0.00 39.33 39.88 1dt7 h ASP 54 CO -0.02 0.90 0.12 0.50 -1.61 0.00 0.00 179.24 179.13 1dt7 h LYS 55 N 1.22 1.13 0.00 0.28 3.64 -0.79 -1.28 116.57 120.77 1dt7 h LYS 55 Ca 0.30 -0.30 -0.07 0.00 -1.27 0.00 0.00 60.65 59.32 1dt7 h LYS 55 Cb 0.07 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 1dt7 h LYS 55 CO -0.04 1.02 -0.32 0.28 -2.27 0.00 0.00 179.45 178.12 1dt7 h VAL 56 N 1.06 1.20 -0.36 2.00 2.07 -0.50 -1.83 116.25 119.88 1dt7 h VAL 56 Ca 0.21 -1.11 -0.06 0.00 0.82 0.00 0.00 66.70 66.56 1dt7 h VAL 56 Cb 0.43 1.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.79 1dt7 h VAL 56 CO 0.01 0.31 -0.04 0.24 0.02 0.00 0.00 177.57 178.12 1dt7 h MET 57 N 0.00 0.59 -0.99 1.57 2.86 0.50 0.41 114.93 119.86 1dt7 h MET 57 Ca -0.00 -0.15 0.09 0.00 -2.06 0.00 0.00 59.70 57.57 1dt7 h MET 57 Cb 0.58 -0.07 -0.07 0.00 0.06 0.00 0.00 31.60 32.09 1dt7 h MET 57 CO 0.04 0.64 0.64 1.49 1.06 0.00 0.00 176.91 180.78 1dt7 h GLU 58 N 0.56 1.06 0.11 1.72 4.81 -0.89 3.07 114.58 125.03 1dt7 h GLU 58 Ca 0.11 -0.06 -0.17 0.00 -0.13 0.00 0.00 59.36 59.11 1dt7 h GLU 58 Cb 0.42 -0.24 0.02 0.00 0.63 0.00 0.00 28.75 29.58 1dt7 h GLU 58 CO 0.02 0.70 -0.72 1.15 -0.73 0.00 0.00 179.01 179.43 1dt7 h THR 59 N 1.09 1.52 0.00 0.32 2.02 -1.17 -3.36 112.91 113.34 1dt7 h THR 59 Ca 0.45 -2.44 0.00 0.00 0.77 0.00 0.00 66.41 65.19 1dt7 h THR 59 Cb 0.29 3.11 0.00 0.00 -1.74 0.00 0.00 68.15 69.81 1dt7 h THR 59 CO -0.20 0.69 -0.80 -0.07 0.37 0.00 0.00 175.52 175.51 1dt7 h LEU 60 N -0.37 0.00 -5.23 2.58 3.38 0.16 -3.37 115.31 112.46 1dt7 h LEU 60 Ca -0.12 -0.07 -0.68 0.00 0.09 0.00 0.00 57.88 57.09 1dt7 h LEU 60 Cb 1.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.29 1dt7 h LEU 60 CO 0.14 0.04 3.58 -0.67 0.09 0.00 0.00 178.44 181.61 1dt7 n ASP 61 N -2.52 8.01 -0.38 -0.43 -0.08 1.02 -4.60 116.55 117.56 1dt7 n ASP 61 Ca 0.01 -2.68 -0.02 0.00 -1.51 0.00 0.00 54.79 50.59 1dt7 n ASP 61 Cb 0.51 -1.55 0.11 0.00 2.34 0.00 0.00 41.12 42.53 1dt7 n ASP 61 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1dt7 h GLU 62 N 5.10 1.33 -0.01 -0.67 5.08 -1.78 -1.23 114.58 122.39 1dt7 h GLU 62 Ca 0.81 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 59.09 1dt7 h GLU 62 Cb 0.34 -0.30 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1dt7 h GLU 62 CO 1.76 0.88 -0.04 -0.40 -1.00 0.00 0.00 179.01 180.22 1dt7 n ASP 63 N -4.38 1.41 -2.93 1.42 5.75 -1.26 -4.93 116.55 111.63 1dt7 n ASP 63 Ca 0.12 -1.40 -0.19 0.00 -0.01 0.00 0.00 54.79 53.31 1dt7 n ASP 63 Cb 0.01 0.02 0.06 0.00 -1.03 0.00 0.00 41.12 40.18 1dt7 n ASP 63 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1dt7 n GLY 64 N 1.20 -0.24 0.73 6.12 0.00 -0.46 -4.90 105.19 107.63 1dt7 n GLY 64 Ca 0.18 0.06 0.10 0.00 0.00 0.00 0.00 46.02 46.36 1dt7 n GLY 64 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1dt7 n ASP 65 N -2.06 2.50 0.00 1.61 5.75 -1.26 -4.94 116.55 118.14 1dt7 n ASP 65 Ca 0.00 -1.75 0.00 0.00 -0.01 0.00 0.00 54.79 53.03 1dt7 n ASP 65 Cb 0.55 0.10 0.00 0.00 -1.03 0.00 0.00 41.12 40.74 1dt7 n ASP 65 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1dt7 n GLY 66 N 1.16 1.13 2.85 6.12 0.00 -1.26 -4.97 105.19 110.22 1dt7 n GLY 66 Ca 0.11 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.00 1dt7 n GLY 66 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1dt7 s GLU 67 N -0.07 -0.01 -0.21 1.61 -1.05 -1.26 -3.05 118.70 114.66 1dt7 s GLU 67 Ca 0.00 0.05 -0.11 0.00 -0.15 0.00 0.00 54.97 54.77 1dt7 s GLU 67 Cb 0.00 -0.06 -0.05 0.00 -0.44 0.00 0.00 34.13 33.58 1dt7 s GLU 67 CO 0.00 -0.04 0.16 0.00 0.95 0.00 0.00 175.26 176.32 1dt7 s ASP 69 N 0.57 2.80 0.32 0.00 1.01 -1.26 -1.97 116.67 118.14 1dt7 s ASP 69 Ca 0.09 1.08 0.09 0.00 0.71 0.00 0.00 52.55 54.52 1dt7 s ASP 69 Cb -0.12 -1.71 0.87 0.00 1.01 0.00 0.00 42.92 42.97 1dt7 s ASP 69 CO 0.00 -3.01 1.74 0.15 0.21 0.00 0.00 175.17 174.26 1dt7 h PHE 70 N -1.81 1.02 -0.04 4.23 3.57 -1.94 0.08 116.94 122.06 1dt7 h PHE 70 Ca -0.53 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.00 1dt7 h PHE 70 Cb 1.33 -0.30 -0.00 0.00 2.79 0.00 0.00 35.95 39.78 1dt7 h PHE 70 CO 0.24 0.09 0.01 0.37 -2.23 0.00 0.00 178.31 176.79 1dt7 h GLN 71 N 0.61 0.07 -0.86 1.11 4.15 -1.93 -0.78 115.11 117.48 1dt7 h GLN 71 Ca 0.64 -0.02 0.01 0.00 0.77 0.00 0.00 58.65 60.05 1dt7 h GLN 71 Cb 1.18 -0.01 -0.04 0.00 0.21 0.00 0.00 27.48 28.82 1dt7 h GLN 71 CO -0.46 0.30 0.57 0.93 -1.93 0.00 0.00 178.83 178.23 1dt7 h GLU 72 N -0.17 1.14 0.00 1.69 5.08 -1.34 -0.58 114.58 120.40 1dt7 h GLU 72 Ca 0.01 -0.07 -0.08 0.00 -1.00 0.00 0.00 59.36 58.22 1dt7 h GLU 72 Cb 0.26 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1dt7 h GLU 72 CO 0.00 0.75 -0.38 0.35 -1.00 0.00 0.00 179.01 178.74 1dt7 h PHE 73 N 1.17 0.00 -1.00 4.33 3.57 -1.19 -2.83 116.94 120.98 1dt7 h PHE 73 Ca 0.32 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.83 1dt7 h PHE 73 Cb -0.13 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 38.56 1dt7 h PHE 73 CO -0.01 0.38 0.66 1.98 -2.23 0.00 0.00 178.31 179.09 1dt7 h MET 74 N 0.00 1.32 -0.08 1.11 4.05 0.44 -1.76 114.93 120.01 1dt7 h MET 74 Ca -0.00 -0.08 -0.12 0.00 -0.28 0.00 0.00 59.70 59.21 1dt7 h MET 74 Cb 0.83 -0.30 -0.01 0.00 -0.80 0.00 0.00 31.60 31.33 1dt7 h MET 74 CO 0.05 0.87 -0.50 0.00 0.23 0.00 0.00 176.91 177.56 1dt7 h ALA 75 N 1.38 1.01 -0.99 0.39 0.00 -1.22 -3.06 119.26 116.75 1dt7 h ALA 75 Ca 0.37 -0.47 0.01 0.00 0.00 0.00 0.00 54.91 54.82 1dt7 h ALA 75 Cb -0.15 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.50 1dt7 h ALA 75 CO -0.08 0.66 0.66 0.35 0.00 0.00 0.00 179.25 180.83 1dt7 h PHE 76 N 0.17 1.25 -0.38 0.00 3.57 -1.30 -1.29 116.94 118.96 1dt7 h PHE 76 Ca 0.01 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.48 1dt7 h PHE 76 Cb 0.95 -0.42 -0.02 0.00 2.79 0.00 0.00 35.95 39.25 1dt7 h PHE 76 CO 0.02 0.78 -0.01 0.28 -2.23 0.00 0.00 178.31 177.15 1dt7 h VAL 77 N 1.35 1.22 -0.49 1.41 2.07 -1.42 -2.51 116.25 117.87 1dt7 h VAL 77 Ca 0.37 -0.89 -0.00 0.00 0.82 0.00 0.00 66.70 66.99 1dt7 h VAL 77 Cb -0.15 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 1dt7 h VAL 77 CO -0.08 0.31 0.30 -1.28 0.02 0.00 0.00 177.57 176.84 1dt7 h SER 78 N 0.58 0.59 -0.36 0.57 0.87 -1.19 -1.57 113.55 113.05 1dt7 h SER 78 Ca 0.12 -0.05 -0.15 0.00 -1.23 0.00 0.00 61.79 60.47 1dt7 h SER 78 Cb 0.39 -0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 62.20 1dt7 h SER 78 CO 0.02 0.47 -0.38 0.24 -0.53 0.00 0.00 176.83 176.65 1dt7 h MET 79 N 0.66 0.88 -0.08 2.24 2.07 -1.13 -3.09 114.93 116.49 1dt7 h MET 79 Ca 0.18 -0.48 -0.12 0.00 -2.07 0.00 0.00 59.70 57.21 1dt7 h MET 79 Cb -0.01 0.02 -0.01 0.00 -1.87 0.00 0.00 31.60 29.73 1dt7 h MET 79 CO -0.03 1.12 -0.48 0.28 1.07 0.00 0.00 176.91 178.87 1dt7 h VAL 80 N 0.69 1.34 -1.01 -2.22 2.07 -1.34 -2.90 116.25 112.88 1dt7 h VAL 80 Ca 0.05 -1.68 0.01 0.00 0.82 0.00 0.00 66.70 65.90 1dt7 h VAL 80 Cb 0.97 1.81 -0.05 0.00 -1.52 0.00 0.00 31.29 32.51 1dt7 h VAL 80 CO 0.09 0.50 0.67 0.74 0.02 0.00 0.00 177.57 179.59 1dt7 h THR 81 N 0.16 1.26 -1.00 2.57 2.02 -1.21 -0.70 112.91 116.01 1dt7 h THR 81 Ca 0.01 -0.47 0.03 0.00 0.77 0.00 0.00 66.41 66.75 1dt7 h THR 81 Cb 0.91 -0.23 -0.06 0.00 -1.74 0.00 0.00 68.15 67.03 1dt7 h THR 81 CO 0.07 0.25 0.66 0.74 0.37 0.00 0.00 175.52 177.61 1dt7 h THR 82 N 1.37 1.19 -0.58 3.16 2.02 -1.44 0.15 112.91 118.79 1dt7 h THR 82 Ca 0.37 -0.44 0.01 0.00 0.77 0.00 0.00 66.41 67.12 1dt7 h THR 82 Cb -0.16 -0.20 -0.03 0.00 -1.74 0.00 0.00 68.15 66.02 1dt7 h THR 82 CO -0.08 0.23 0.38 0.00 0.37 0.00 0.00 175.52 176.43 1dt7 h ALA 83 N 1.41 1.59 -0.40 6.16 0.00 -1.12 -0.28 119.26 126.62 1dt7 h ALA 83 Ca 0.39 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1dt7 h ALA 83 Cb -0.04 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1dt7 h ALA 83 CO -0.11 0.38 0.27 0.00 0.00 0.00 0.00 179.25 179.79 1dt7 h HIS 85 N 0.55 0.78 -0.83 0.00 6.17 -0.70 0.52 115.15 121.63 1dt7 h HIS 85 Ca 0.15 0.02 -0.04 0.00 0.71 0.00 0.00 60.37 61.21 1dt7 h HIS 85 Cb -0.06 -0.26 -0.04 0.00 2.52 0.00 0.00 27.41 29.57 1dt7 h HIS 85 CO 0.00 0.47 0.38 0.93 0.71 0.00 0.00 177.93 180.41 1dt7 h GLU 86 N 0.83 1.22 -0.51 5.26 5.08 -1.30 -2.64 114.58 122.52 1dt7 h GLU 86 Ca 0.25 -0.20 -0.13 0.00 -1.00 0.00 0.00 59.36 58.29 1dt7 h GLU 86 Cb -0.04 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 28.99 1dt7 h GLU 86 CO -0.08 0.95 -0.17 0.35 -1.00 0.00 0.00 179.01 179.06 1dt7 h PHE 87 N 1.20 1.16 -0.51 4.33 3.04 -0.71 -3.11 116.94 122.33 1dt7 h PHE 87 Ca 0.28 -0.27 -0.31 0.00 3.98 0.00 0.00 57.97 61.66 1dt7 h PHE 87 Cb 0.16 -0.28 -0.12 0.00 2.56 0.00 0.00 35.95 38.27 1dt7 h PHE 87 CO 0.02 1.10 0.22 0.34 -2.02 0.00 0.00 178.31 177.96 1dt7 n PHE 88 N -4.13 1.09 -3.09 0.41 -0.00 0.17 -4.77 117.46 107.14 1dt7 n PHE 88 Ca 0.01 -1.75 -0.44 0.00 -0.00 0.00 0.00 57.45 55.27 1dt7 n PHE 88 Cb 0.44 -1.13 0.00 0.00 -0.00 0.00 0.00 39.48 38.79 1dt7 n PHE 88 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 1dt7 n GLU 89 N 1.02 3.44 0.01 -4.13 1.02 -1.18 -4.75 120.64 116.07 1dt7 n GLU 89 Ca 0.34 -4.07 0.13 0.00 -0.02 0.00 0.00 57.16 53.54 1dt7 n GLU 89 Cb 0.61 -2.86 0.52 0.00 -0.02 0.00 0.00 31.44 29.69 1dt7 n GLU 89 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1dt7 n HIS 90 N 4.54 0.07 -0.08 -0.32 8.25 -1.26 -5.14 115.22 121.28 1dt7 n HIS 90 Ca 0.32 0.02 0.00 0.00 -0.26 0.00 0.00 57.72 57.80 1dt7 n HIS 90 Cb 0.41 -0.47 0.00 0.00 1.12 0.00 0.00 29.99 31.05 1dt7 n HIS 90 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07