#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 -5.22 0.00 6.12 7.64 -1.26 -4.78 113.62 116.12 1dt7 n SER 1 Ca 0.00 0.29 0.01 0.00 1.01 0.00 0.00 58.87 60.18 1dt7 n SER 1 Cb 0.00 -3.75 0.08 0.00 -1.01 0.00 0.00 64.21 59.54 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 -1.58 0.34 0.06 1.43 0.28 -1.26 -3.41 120.64 116.50 1dt7 n GLU 2 Ca -0.12 0.00 0.05 0.00 -0.16 0.00 0.00 57.16 56.93 1dt7 n GLU 2 Cb 0.52 -1.13 0.47 0.00 1.43 0.00 0.00 31.44 32.73 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 0.00 0.36 -1.02 -1.84 5.85 -2.00 -2.61 115.31 114.05 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 0.00 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 40.89 1dt7 h LEU 3 CO 0.00 0.27 0.66 -0.08 -0.34 0.00 0.00 178.44 178.95 1dt7 h GLU 4 N 0.43 1.31 0.01 1.25 4.22 -1.97 -1.60 114.58 118.23 1dt7 h GLU 4 Ca 0.11 -0.08 -0.19 0.00 0.08 0.00 0.00 59.36 59.29 1dt7 h GLU 4 Cb -0.04 -0.30 -0.02 0.00 0.50 0.00 0.00 28.75 28.89 1dt7 h GLU 4 CO -0.02 0.87 -0.87 1.57 -2.18 0.00 0.00 179.01 178.38 1dt7 h LYS 5 N 1.35 0.11 -0.31 1.92 2.10 -1.77 -3.13 116.57 116.83 1dt7 h LYS 5 Ca 0.37 -0.13 -0.16 0.00 -2.00 0.00 0.00 60.65 58.73 1dt7 h LYS 5 Cb -0.16 0.04 -0.00 0.00 -0.90 0.00 0.00 32.23 31.21 1dt7 h LYS 5 CO -0.08 0.91 -0.45 0.00 -2.00 0.00 0.00 179.45 177.83 1dt7 h ALA 6 N 1.05 0.48 -0.65 0.07 0.00 -1.26 -1.98 119.26 116.97 1dt7 h ALA 6 Ca -0.03 -0.47 -0.09 0.00 0.00 0.00 0.00 54.91 54.32 1dt7 h ALA 6 Cb 1.50 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.18 1dt7 h ALA 6 CO 0.12 0.62 0.06 0.52 0.00 0.00 0.00 179.25 180.57 1dt7 h MET 7 N 0.64 1.11 -0.30 0.00 2.86 -1.38 -2.26 114.93 115.60 1dt7 h MET 7 Ca 0.03 -0.32 -0.09 0.00 -2.06 0.00 0.00 59.70 57.26 1dt7 h MET 7 Cb 1.05 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 32.58 1dt7 h MET 7 CO 0.10 1.04 -0.19 0.28 1.06 0.00 0.00 176.91 179.20 1dt7 h VAL 8 N 1.02 1.26 -0.35 -2.22 2.07 -1.52 -3.02 116.25 113.49 1dt7 h VAL 8 Ca 0.19 -1.19 -0.13 0.00 0.82 0.00 0.00 66.70 66.39 1dt7 h VAL 8 Cb 0.51 1.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 1dt7 h VAL 8 CO 0.02 0.39 -0.31 0.00 0.02 0.00 0.00 177.57 177.69 1dt7 h ALA 9 N 1.30 0.78 -1.01 1.67 0.00 -0.92 -2.26 119.26 118.82 1dt7 h ALA 9 Ca 0.08 -0.41 0.01 0.00 0.00 0.00 0.00 54.91 54.59 1dt7 h ALA 9 Cb 0.61 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.22 1dt7 h ALA 9 CO 0.04 0.65 0.67 -0.07 0.00 0.00 0.00 179.25 180.54 1dt7 h LEU 10 N 0.65 1.16 -0.50 0.00 3.38 -1.29 -2.18 115.31 116.53 1dt7 h LEU 10 Ca 0.07 -0.03 -0.14 0.00 0.09 0.00 0.00 57.88 57.87 1dt7 h LEU 10 Cb 0.85 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 1dt7 h LEU 10 CO 0.07 0.84 -0.28 0.40 0.09 0.00 0.00 178.44 179.56 1dt7 h ILE 11 N 1.37 1.27 -0.61 1.22 2.04 -1.50 -2.58 117.51 118.71 1dt7 h ILE 11 Ca 0.37 -1.45 -0.07 0.00 1.00 0.00 0.00 64.86 64.71 1dt7 h ILE 11 Cb -0.16 1.24 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 1dt7 h ILE 11 CO -0.08 0.49 0.11 0.44 0.00 0.00 0.00 178.15 179.11 1dt7 h ASP 12 N 0.78 0.96 -0.12 1.72 3.32 -0.81 -2.55 116.42 119.74 1dt7 h ASP 12 Ca 0.09 -0.25 -0.23 0.00 0.02 0.00 0.00 57.03 56.65 1dt7 h ASP 12 Cb 0.86 -0.26 0.01 0.00 0.22 0.00 0.00 39.33 40.16 1dt7 h ASP 12 CO 0.08 0.97 -0.84 1.62 -1.72 0.00 0.00 179.24 179.35 1dt7 h VAL 13 N 0.92 1.28 -0.95 -1.35 3.04 -1.47 -3.11 116.25 114.60 1dt7 h VAL 13 Ca 0.19 -2.03 0.01 0.00 -1.01 0.00 0.00 66.70 63.86 1dt7 h VAL 13 Cb 0.41 2.06 -0.05 0.00 -2.01 0.00 0.00 31.29 31.70 1dt7 h VAL 13 CO 0.01 0.64 0.63 0.15 -1.01 0.00 0.00 177.57 177.99 1dt7 h PHE 14 N 0.51 1.19 0.00 3.17 3.57 -1.42 -1.38 116.94 122.59 1dt7 h PHE 14 Ca -0.07 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.40 1dt7 h PHE 14 Cb 1.47 -0.40 -0.01 0.00 2.79 0.00 0.00 35.95 39.80 1dt7 h PHE 14 CO 0.09 0.75 -0.26 1.25 -2.23 0.00 0.00 178.31 177.91 1dt7 h HIS 15 N 1.28 0.00 -0.58 0.41 2.76 -1.45 -1.35 115.15 116.22 1dt7 h HIS 15 Ca 0.35 0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.52 1dt7 h HIS 15 Cb -0.15 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 28.78 1dt7 h HIS 15 CO 0.00 0.26 0.39 1.96 -1.30 0.00 0.00 177.93 179.24 1dt7 h GLN 16 N 0.00 0.77 0.12 5.26 1.08 -1.18 -2.43 115.11 118.73 1dt7 h GLN 16 Ca -0.00 -0.05 -0.37 0.00 -1.45 0.00 0.00 58.65 56.78 1dt7 h GLN 16 Cb 0.61 -0.17 -0.02 0.00 -0.05 0.00 0.00 27.48 27.84 1dt7 h GLN 16 CO 0.03 0.51 -2.03 0.66 -0.95 0.00 0.00 178.83 177.05 1dt7 n TYR 17 N -4.68 1.17 -0.35 2.96 4.02 -1.15 -3.87 117.16 115.25 1dt7 n TYR 17 Ca 0.04 0.25 -0.03 0.00 -0.01 0.00 0.00 57.90 58.15 1dt7 n TYR 17 Cb 0.02 -1.15 0.10 0.00 -0.02 0.00 0.00 39.34 38.29 1dt7 n TYR 17 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 176.86 176.62 1dt7 h SER 18 N 0.07 1.14 0.57 7.72 0.02 -1.29 -1.29 113.55 120.49 1dt7 h SER 18 Ca -0.44 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.44 1dt7 h SER 18 Cb 2.03 -0.29 0.00 0.00 0.14 0.00 0.00 62.40 64.28 1dt7 h SER 18 CO 0.08 0.88 -0.01 0.61 -1.14 0.00 0.00 176.83 177.24 1dt7 n GLY 19 N -1.23 -1.27 0.04 -3.77 0.00 -0.91 -2.48 105.19 95.57 1dt7 n GLY 19 Ca 0.11 -0.15 -0.12 0.00 0.00 0.00 0.00 46.02 45.85 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 0.05 0.00 -0.12 1.61 2.43 -1.34 -3.02 114.38 113.98 1dt7 h ARG 20 Ca 0.00 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1dt7 h ARG 20 Cb 0.30 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 1dt7 h ARG 20 CO 0.00 0.00 0.00 0.39 -1.51 0.00 0.00 179.97 178.85 1dt7 n GLU 21 N -5.09 2.38 0.00 0.20 -0.58 -1.25 -4.94 120.64 111.36 1dt7 n GLU 21 Ca -0.07 -2.02 0.00 0.00 -0.42 0.00 0.00 57.16 54.65 1dt7 n GLU 21 Cb 0.03 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.43 1dt7 n GLU 21 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1dt7 n GLY 22 N 1.39 1.49 3.06 0.62 0.00 -1.14 -4.97 105.19 105.64 1dt7 n GLY 22 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 1dt7 n GLY 22 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1dt7 n ASP 23 N 0.00 4.48 -0.13 1.61 8.00 -1.03 -4.69 116.55 124.78 1dt7 n ASP 23 Ca 0.00 -2.92 -0.12 0.00 0.71 0.00 0.00 54.79 52.46 1dt7 n ASP 23 Cb 0.00 -1.65 -0.02 0.00 -0.02 0.00 0.00 41.12 39.43 1dt7 n ASP 23 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1dt7 h LYS 24 N 6.51 0.82 -0.01 -1.24 1.57 -1.91 -3.03 116.57 119.28 1dt7 h LYS 24 Ca 0.49 -0.37 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1dt7 h LYS 24 Cb 0.72 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.02 1dt7 h LYS 24 CO 1.67 1.00 -0.08 1.58 -0.57 0.00 0.00 179.45 183.06 1dt7 n HIS 25 N -4.23 0.00 -3.88 -1.35 -0.00 -1.26 -4.83 115.22 99.67 1dt7 n HIS 25 Ca -0.02 0.00 -0.11 0.00 0.46 0.00 0.00 57.72 58.05 1dt7 n HIS 25 Cb 0.44 -0.03 -0.11 0.00 -0.12 0.00 0.00 29.99 30.17 1dt7 n HIS 25 CO 0.00 0.00 0.00 0.21 0.46 0.00 0.00 176.34 177.01 1dt7 s LYS 26 N -2.14 0.37 -0.08 1.57 2.20 -1.14 -3.41 119.74 117.10 1dt7 s LYS 26 Ca 0.33 -0.30 0.03 0.00 -0.36 0.00 0.00 55.97 55.67 1dt7 s LYS 26 Cb 0.20 0.15 0.01 0.00 -1.51 0.00 0.00 37.83 36.68 1dt7 s LYS 26 CO 0.38 -0.08 -0.18 -1.17 -0.36 0.00 0.00 175.35 173.95 1dt7 s LEU 27 N -1.04 1.85 0.20 5.43 2.96 -0.73 -4.47 118.68 122.87 1dt7 s LEU 27 Ca -0.11 -0.41 -0.02 0.00 -0.22 0.00 0.00 54.13 53.36 1dt7 s LEU 27 Cb -0.06 -1.08 -0.05 0.00 0.50 0.00 0.00 46.19 45.49 1dt7 s LEU 27 CO 0.01 0.10 0.40 -0.54 -1.32 0.00 0.00 176.35 175.00 1dt7 s LYS 28 N 0.48 3.55 0.63 1.98 1.02 -1.26 -1.13 119.74 125.01 1dt7 s LYS 28 Ca -0.16 -0.25 0.26 0.00 0.02 0.00 0.00 55.97 55.84 1dt7 s LYS 28 Cb -0.16 -2.82 1.30 0.00 -0.52 0.00 0.00 37.83 35.62 1dt7 s LYS 28 CO 0.06 0.40 1.73 1.57 -0.92 0.00 0.00 175.35 178.18 1dt7 h LYS 29 N 2.15 0.00 0.19 1.68 2.10 -1.92 0.29 116.57 121.06 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 1.18 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.52 1dt7 h LYS 29 CO 0.69 0.00 -0.09 0.77 -2.00 0.00 0.00 179.45 178.82 1dt7 h SER 30 N 0.00 -0.21 -0.38 7.07 0.02 -1.91 -2.40 113.55 115.74 1dt7 h SER 30 Ca 0.15 -0.30 -0.01 0.00 -0.84 0.00 0.00 61.79 60.79 1dt7 h SER 30 Cb 1.31 0.05 -0.02 0.00 0.14 0.00 0.00 62.40 63.88 1dt7 h SER 30 CO -0.00 0.33 0.22 -0.33 -1.14 0.00 0.00 176.83 175.91 1dt7 h GLU 31 N -0.91 0.55 -0.90 3.45 5.08 -1.07 -1.80 114.58 118.99 1dt7 h GLU 31 Ca -0.03 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1dt7 h GLU 31 Cb 0.50 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.59 1dt7 h GLU 31 CO 0.04 0.41 0.60 1.25 -1.00 0.00 0.00 179.01 180.31 1dt7 h LEU 32 N 0.56 1.03 -1.01 1.33 5.85 -0.56 -2.36 115.31 120.15 1dt7 h LEU 32 Ca 0.14 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.85 1dt7 h LEU 32 Cb 0.02 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 40.74 1dt7 h LEU 32 CO -0.02 0.75 0.65 0.50 -0.34 0.00 0.00 178.44 179.98 1dt7 h LYS 33 N 1.22 1.32 -0.24 1.25 3.64 -0.78 -1.56 116.57 121.41 1dt7 h LYS 33 Ca 0.33 -0.08 -0.12 0.00 -1.27 0.00 0.00 60.65 59.50 1dt7 h LYS 33 Cb -0.14 -0.29 -0.01 0.00 -0.41 0.00 0.00 32.23 31.37 1dt7 h LYS 33 CO -0.07 0.88 -0.36 0.93 -2.27 0.00 0.00 179.45 178.55 1dt7 h GLU 34 N 1.35 0.53 0.10 1.90 3.07 -1.43 0.15 114.58 120.26 1dt7 h GLU 34 Ca 0.36 -0.25 -0.00 0.00 -0.50 0.00 0.00 59.36 58.97 1dt7 h GLU 34 Cb -0.14 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 27.76 1dt7 h GLU 34 CO -0.08 0.82 -0.05 1.25 -1.40 0.00 0.00 179.01 179.55 1dt7 h LEU 35 N 0.45 -0.12 -0.15 1.33 6.46 -0.96 -1.31 115.31 121.01 1dt7 h LEU 35 Ca 0.05 -0.12 -0.07 0.00 -0.12 0.00 0.00 57.88 57.61 1dt7 h LEU 35 Cb 0.84 0.03 -0.00 0.00 -0.73 0.00 0.00 40.66 40.80 1dt7 h LEU 35 CO 0.07 0.05 -0.19 0.40 -0.62 0.00 0.00 178.44 178.15 1dt7 h ILE 36 N -0.28 1.35 -0.95 4.05 2.04 -1.20 2.02 117.51 124.54 1dt7 h ILE 36 Ca -0.01 -1.39 -0.00 0.00 1.00 0.00 0.00 64.86 64.45 1dt7 h ILE 36 Cb 0.23 1.91 -0.05 0.00 -0.74 0.00 0.00 36.82 38.17 1dt7 h ILE 36 CO 0.02 0.41 0.58 0.78 0.00 0.00 0.00 178.15 179.94 1dt7 h ASN 37 N 0.02 1.14 0.00 1.72 2.35 -0.73 -1.81 115.58 118.28 1dt7 h ASN 37 Ca 0.02 -0.07 -0.36 0.00 -0.55 0.00 0.00 56.30 55.34 1dt7 h ASN 37 Cb 0.75 -0.29 -0.07 0.00 0.05 0.00 0.00 38.32 38.76 1dt7 h ASN 37 CO 0.05 0.87 -2.35 -3.20 -1.65 0.00 0.00 177.43 171.15 1dt7 n ASN 38 N -4.35 0.79 0.04 5.81 4.05 -0.49 -4.04 115.26 117.06 1dt7 n ASN 38 Ca 0.11 -0.04 0.11 0.00 0.45 0.00 0.00 54.58 55.21 1dt7 n ASN 38 Cb 0.06 0.57 0.07 0.00 1.23 0.00 0.00 39.78 41.71 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 -2.87 0.29 -2.57 1.20 2.13 0.68 -4.29 120.64 115.21 1dt7 n GLU 39 Ca -0.35 0.02 -0.17 0.00 0.66 0.00 0.00 57.16 57.32 1dt7 n GLU 39 Cb 1.08 -1.62 0.02 0.00 0.27 0.00 0.00 31.44 31.19 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 -2.00 2.92 0.00 4.31 4.77 -0.68 -4.82 117.00 121.50 1dt7 n LEU 40 Ca 0.02 -4.36 -0.00 0.00 -0.03 0.00 0.00 56.01 51.64 1dt7 n LEU 40 Cb 0.44 0.03 -0.00 0.00 -2.33 0.00 0.00 43.42 41.56 1dt7 n LEU 40 CO 0.39 1.85 0.07 0.77 -1.33 0.00 0.00 177.39 179.14 1dt7 h SER 41 N 2.79 -0.03 0.74 -1.43 4.64 -1.70 -3.31 113.55 115.25 1dt7 h SER 41 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1dt7 h SER 41 Cb 1.08 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 1dt7 h SER 41 CO 0.65 0.05 -0.38 0.00 -0.87 0.00 0.00 176.83 176.28 1dt7 n HIS 42 N -2.47 0.15 -0.09 4.77 -0.00 -1.26 -3.87 115.22 112.45 1dt7 n HIS 42 Ca -0.00 0.04 -0.10 0.00 -0.00 0.00 0.00 57.72 57.66 1dt7 n HIS 42 Cb 0.01 -0.42 -0.03 0.00 -0.00 0.00 0.00 29.99 29.55 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 0.42 -1.80 -1.40 3.04 -1.88 -3.48 116.94 111.84 1dt7 h PHE 43 Ca 0.00 -0.04 0.00 0.00 3.98 0.00 0.00 57.97 61.91 1dt7 h PHE 43 Cb 0.56 -0.12 0.00 0.00 2.56 0.00 0.00 35.95 38.94 1dt7 h PHE 43 CO 0.00 0.44 0.00 1.47 -2.02 0.00 0.00 178.31 178.20 1dt7 n LEU 44 N -4.75 0.00 -4.53 0.59 -0.00 -1.25 -5.06 117.00 102.00 1dt7 n LEU 44 Ca -0.03 0.00 -0.34 0.00 -0.00 0.00 0.00 56.01 55.65 1dt7 n LEU 44 Cb 0.14 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 43.48 1dt7 n LEU 44 CO 0.36 0.00 1.99 1.21 -0.00 0.00 0.00 177.39 180.95 1dt7 n GLU 45 N 0.00 0.60 -1.50 1.47 2.13 -1.26 -4.65 120.64 117.44 1dt7 n GLU 45 Ca 0.00 -0.11 -0.34 0.00 0.66 0.00 0.00 57.16 57.36 1dt7 n GLU 45 Cb 0.00 -2.75 0.09 0.00 0.27 0.00 0.00 31.44 29.05 1dt7 n GLU 45 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 1dt7 s GLU 46 N 8.49 2.24 0.30 5.31 2.12 -1.26 -4.96 118.70 130.95 1dt7 s GLU 46 Ca 1.11 1.76 -0.28 0.00 0.36 0.00 0.00 54.97 57.92 1dt7 s GLU 46 Cb -0.53 -1.85 -0.09 0.00 0.26 0.00 0.00 34.13 31.92 1dt7 s GLU 46 CO 0.33 -1.76 1.00 0.42 -0.54 0.00 0.00 175.26 174.71 1dt7 s ILE 47 N -1.95 3.89 -0.23 -3.70 -1.09 -1.26 -4.94 121.20 111.92 1dt7 s ILE 47 Ca 0.75 1.72 0.05 0.00 -2.23 0.00 0.00 60.65 60.94 1dt7 s ILE 47 Cb -0.29 -4.02 -0.06 0.00 -1.58 0.00 0.00 42.46 36.50 1dt7 s ILE 47 CO 0.44 0.28 0.21 0.29 -1.23 0.00 0.00 174.94 174.93 1dt7 n LYS 48 N 0.87 4.94 -3.45 2.79 4.01 -1.26 -4.91 118.16 121.16 1dt7 n LYS 48 Ca 0.01 -0.00 -0.14 0.00 -0.51 0.00 0.00 58.31 57.67 1dt7 n LYS 48 Cb 0.48 -0.77 -0.03 0.00 -0.51 0.00 0.00 35.03 34.20 1dt7 n LYS 48 CO 0.00 0.00 0.00 -2.00 -1.11 0.00 0.00 177.40 174.29 1dt7 s GLU 49 N -1.55 1.21 0.40 1.97 2.56 -1.26 -5.03 118.70 117.00 1dt7 s GLU 49 Ca 0.02 -0.26 0.06 0.00 0.00 0.00 0.00 54.97 54.79 1dt7 s GLU 49 Cb 0.04 0.56 0.81 0.00 2.00 0.00 0.00 34.13 37.54 1dt7 s GLU 49 CO 0.21 -0.49 2.05 1.96 -0.56 0.00 0.00 175.26 178.43 1dt7 h GLN 50 N 2.29 0.60 -0.68 4.30 1.08 -2.01 -2.58 115.11 118.11 1dt7 h GLN 50 Ca -0.32 -0.04 0.01 0.00 -1.45 0.00 0.00 58.65 56.85 1dt7 h GLN 50 Cb 1.26 -0.14 -0.03 0.00 -0.05 0.00 0.00 27.48 28.52 1dt7 h GLN 50 CO 0.38 0.40 0.45 1.05 -0.95 0.00 0.00 178.83 180.16 1dt7 h GLU 51 N 0.62 0.90 -0.85 1.46 4.11 -2.00 -1.67 114.58 117.16 1dt7 h GLU 51 Ca 0.17 -0.05 -0.03 0.00 0.07 0.00 0.00 59.36 59.51 1dt7 h GLU 51 Cb -0.07 -0.20 -0.04 0.00 0.50 0.00 0.00 28.75 28.94 1dt7 h GLU 51 CO -0.04 0.59 0.40 0.28 0.07 0.00 0.00 179.01 180.31 1dt7 h VAL 52 N 0.92 1.26 -0.72 -1.06 2.07 -1.88 -1.95 116.25 114.90 1dt7 h VAL 52 Ca 0.25 -0.75 -0.06 0.00 0.82 0.00 0.00 66.70 66.96 1dt7 h VAL 52 Cb -0.11 0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 29.81 1dt7 h VAL 52 CO -0.05 0.32 0.22 0.58 0.02 0.00 0.00 177.57 178.65 1dt7 h VAL 53 N 1.22 1.26 -0.63 2.57 2.07 -1.39 -2.05 116.25 119.30 1dt7 h VAL 53 Ca 0.29 -0.90 -0.05 0.00 0.82 0.00 0.00 66.70 66.86 1dt7 h VAL 53 Cb 0.13 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.35 1dt7 h VAL 53 CO -0.03 0.35 0.19 0.44 0.02 0.00 0.00 177.57 178.54 1dt7 h ASP 54 N 1.07 0.89 -0.60 0.57 3.32 -0.75 -0.07 116.42 120.85 1dt7 h ASP 54 Ca 0.23 -0.15 -0.10 0.00 0.02 0.00 0.00 57.03 57.03 1dt7 h ASP 54 Cb 0.31 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 1dt7 h ASP 54 CO -0.01 0.84 -0.02 0.50 -1.72 0.00 0.00 179.24 178.83 1dt7 h LYS 55 N 0.93 1.08 -0.13 3.56 3.64 -0.98 -1.04 116.57 123.63 1dt7 h LYS 55 Ca 0.21 -0.35 -0.07 0.00 -1.27 0.00 0.00 60.65 59.16 1dt7 h LYS 55 Cb 0.27 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 1dt7 h LYS 55 CO -0.01 1.06 -0.24 0.28 -2.27 0.00 0.00 179.45 178.28 1dt7 h VAL 56 N 0.98 1.23 0.00 2.00 2.07 -0.89 -1.73 116.25 119.91 1dt7 h VAL 56 Ca 0.17 -1.07 -0.08 0.00 0.82 0.00 0.00 66.70 66.54 1dt7 h VAL 56 Cb 0.59 1.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 1dt7 h VAL 56 CO 0.04 0.32 -0.38 0.24 0.02 0.00 0.00 177.57 177.81 1dt7 h MET 57 N 0.21 0.00 -1.00 1.57 2.86 -0.01 0.20 114.93 118.75 1dt7 h MET 57 Ca 0.03 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.69 1dt7 h MET 57 Cb 0.54 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.15 1dt7 h MET 57 CO 0.04 0.38 0.67 1.49 1.06 0.00 0.00 176.91 180.55 1dt7 h GLU 58 N 0.00 1.32 0.16 1.72 4.57 -0.27 3.11 114.58 125.19 1dt7 h GLU 58 Ca -0.00 -0.08 -0.23 0.00 -1.18 0.00 0.00 59.36 57.87 1dt7 h GLU 58 Cb 0.85 -0.30 0.03 0.00 -0.16 0.00 0.00 28.75 29.17 1dt7 h GLU 58 CO 0.05 0.87 -0.98 1.15 -1.18 0.00 0.00 179.01 178.92 1dt7 h THR 59 N 1.36 1.45 0.00 0.32 2.02 -1.43 -3.34 112.91 113.28 1dt7 h THR 59 Ca 0.37 -2.55 0.00 0.00 0.77 0.00 0.00 66.41 65.00 1dt7 h THR 59 Cb -0.15 3.12 0.00 0.00 -1.74 0.00 0.00 68.15 69.38 1dt7 h THR 59 CO -0.08 0.74 -0.60 0.25 0.37 0.00 0.00 175.52 176.20 1dt7 h LEU 60 N -0.21 0.00 -5.21 2.58 5.85 -0.29 -3.37 115.31 114.65 1dt7 h LEU 60 Ca -0.17 -0.15 -0.68 0.00 0.84 0.00 0.00 57.88 57.72 1dt7 h LEU 60 Cb 1.77 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.81 1dt7 h LEU 60 CO 0.19 0.07 3.68 -0.67 -0.34 0.00 0.00 178.44 181.37 1dt7 n ASP 61 N -2.28 7.83 -0.25 1.25 2.03 1.03 -4.57 116.55 121.60 1dt7 n ASP 61 Ca 0.03 -2.64 0.04 0.00 0.52 0.00 0.00 54.79 52.74 1dt7 n ASP 61 Cb 0.46 -1.57 0.28 0.00 -0.72 0.00 0.00 41.12 39.57 1dt7 n ASP 61 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1dt7 h GLU 62 N 5.18 0.91 0.00 -0.67 5.08 -1.80 0.53 114.58 123.82 1dt7 h GLU 62 Ca 0.81 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 59.12 1dt7 h GLU 62 Cb 0.35 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1dt7 h GLU 62 CO 1.80 0.60 0.00 -0.25 -1.00 0.00 0.00 179.01 180.16 1dt7 n ASP 63 N -4.48 0.66 -1.68 1.42 8.00 -1.26 -4.87 116.55 114.34 1dt7 n ASP 63 Ca 0.12 0.62 -0.15 0.00 0.71 0.00 0.00 54.79 56.09 1dt7 n ASP 63 Cb 0.19 -0.78 -0.01 0.00 -0.02 0.00 0.00 41.12 40.50 1dt7 n ASP 63 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1dt7 n GLY 64 N 0.52 -0.24 0.75 0.44 0.00 0.19 -4.88 105.19 101.97 1dt7 n GLY 64 Ca 0.04 -0.27 0.08 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.82 2.70 0.00 1.61 5.75 -1.26 -4.93 116.55 119.59 1dt7 n ASP 65 Ca -0.18 -1.79 0.00 0.00 -0.01 0.00 0.00 54.79 52.82 1dt7 n ASP 65 Cb 0.63 -0.11 0.00 0.00 -1.03 0.00 0.00 41.12 40.61 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 0.95 0.91 2.92 6.12 0.00 -1.26 -4.99 105.19 109.85 1dt7 n GLY 66 Ca 0.12 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.01 1dt7 n GLY 66 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1dt7 s GLU 67 N -0.04 0.19 -0.17 1.61 2.02 -1.26 -3.22 118.70 117.85 1dt7 s GLU 67 Ca 0.00 -0.15 -0.04 0.00 0.02 0.00 0.00 54.97 54.80 1dt7 s GLU 67 Cb 0.00 -0.15 -0.03 0.00 0.10 0.00 0.00 34.13 34.06 1dt7 s GLU 67 CO 0.00 0.04 -0.02 0.00 0.02 0.00 0.00 175.26 175.29 1dt7 s ASP 69 N 0.49 4.56 0.32 0.00 1.01 -1.26 -1.78 116.67 120.01 1dt7 s ASP 69 Ca -0.02 1.78 0.09 0.00 0.71 0.00 0.00 52.55 55.10 1dt7 s ASP 69 Cb -0.14 -2.50 0.86 0.00 1.01 0.00 0.00 42.92 42.15 1dt7 s ASP 69 CO 0.02 -1.99 1.74 0.15 0.21 0.00 0.00 175.17 175.30 1dt7 h PHE 70 N -1.10 1.03 -0.50 4.23 3.57 -1.88 0.54 116.94 122.82 1dt7 h PHE 70 Ca -0.44 0.04 -0.12 0.00 3.53 0.00 0.00 57.97 60.98 1dt7 h PHE 70 Cb 1.23 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 39.66 1dt7 h PHE 70 CO 0.58 0.10 -0.14 -0.56 -2.23 0.00 0.00 178.31 176.06 1dt7 h GLN 71 N 0.62 0.97 -0.41 1.11 3.07 -1.90 -1.69 115.11 116.88 1dt7 h GLN 71 Ca 0.63 -0.37 -0.08 0.00 0.09 0.00 0.00 58.65 58.93 1dt7 h GLN 71 Cb 1.16 -0.06 -0.01 0.00 0.08 0.00 0.00 27.48 28.65 1dt7 h GLN 71 CO -0.45 1.04 -0.04 0.93 0.09 0.00 0.00 178.83 180.40 1dt7 h GLU 72 N 0.86 0.76 -0.31 0.06 5.08 -0.38 -2.86 114.58 117.78 1dt7 h GLU 72 Ca 0.13 -0.26 -0.06 0.00 -1.00 0.00 0.00 59.36 58.17 1dt7 h GLU 72 Cb 0.70 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 1dt7 h GLU 72 CO 0.05 0.86 -0.06 0.35 -1.00 0.00 0.00 179.01 179.21 1dt7 h PHE 73 N 0.58 0.53 -0.61 4.33 3.57 -0.71 -2.46 116.94 122.18 1dt7 h PHE 73 Ca 0.11 -0.07 0.01 0.00 3.53 0.00 0.00 57.97 61.55 1dt7 h PHE 73 Cb 0.54 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 39.10 1dt7 h PHE 73 CO 0.04 0.56 0.41 0.52 -2.23 0.00 0.00 178.31 177.61 1dt7 h MET 74 N 0.48 0.80 -0.14 1.11 2.86 -1.07 -1.81 114.93 117.15 1dt7 h MET 74 Ca 0.10 -0.05 -0.13 0.00 -2.06 0.00 0.00 59.70 57.56 1dt7 h MET 74 Cb 0.41 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.87 1dt7 h MET 74 CO 0.02 0.53 -0.46 0.00 1.06 0.00 0.00 176.91 178.06 1dt7 h ALA 75 N 1.62 0.95 -1.01 6.32 0.00 -1.36 -2.97 119.26 122.82 1dt7 h ALA 75 Ca 0.22 -0.46 0.01 0.00 0.00 0.00 0.00 54.91 54.69 1dt7 h ALA 75 Cb -0.09 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.55 1dt7 h ALA 75 CO -0.05 0.64 0.67 0.35 0.00 0.00 0.00 179.25 180.86 1dt7 h PHE 76 N 0.28 1.26 -0.72 0.00 3.04 -1.27 -1.59 116.94 117.95 1dt7 h PHE 76 Ca 0.02 0.03 -0.03 0.00 3.98 0.00 0.00 57.97 61.97 1dt7 h PHE 76 Cb 0.93 -0.43 -0.03 0.00 2.56 0.00 0.00 35.95 38.97 1dt7 h PHE 76 CO 0.02 0.80 0.35 0.28 -2.02 0.00 0.00 178.31 177.74 1dt7 h VAL 77 N 1.36 1.23 -0.90 1.41 2.07 -1.38 -2.01 116.25 118.03 1dt7 h VAL 77 Ca 0.37 -0.64 -0.02 0.00 0.82 0.00 0.00 66.70 67.23 1dt7 h VAL 77 Cb -0.16 0.31 -0.04 0.00 -1.52 0.00 0.00 31.29 29.88 1dt7 h VAL 77 CO -0.08 0.27 0.49 -1.28 0.02 0.00 0.00 177.57 176.99 1dt7 h SER 78 N 1.01 1.13 -0.05 0.57 0.87 -1.20 -1.91 113.55 113.97 1dt7 h SER 78 Ca 0.25 -0.10 -0.20 0.00 -1.23 0.00 0.00 61.79 60.51 1dt7 h SER 78 Cb 0.10 -0.29 0.01 0.00 -0.44 0.00 0.00 62.40 61.79 1dt7 h SER 78 CO -0.03 0.91 -0.75 0.24 -0.53 0.00 0.00 176.83 176.66 1dt7 h MET 79 N 1.26 0.59 -0.92 2.24 2.86 -1.21 -3.01 114.93 116.75 1dt7 h MET 79 Ca 0.32 -0.57 -0.01 0.00 -2.06 0.00 0.00 59.70 57.37 1dt7 h MET 79 Cb 0.03 0.15 -0.04 0.00 0.06 0.00 0.00 31.60 31.79 1dt7 h MET 79 CO -0.05 1.19 0.52 0.28 1.06 0.00 0.00 176.91 179.91 1dt7 h VAL 80 N 0.21 1.26 -0.99 -2.22 2.07 -1.25 -1.37 116.25 113.96 1dt7 h VAL 80 Ca -0.08 -0.63 0.01 0.00 0.82 0.00 0.00 66.70 66.82 1dt7 h VAL 80 Cb 1.42 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 31.14 1dt7 h VAL 80 CO 0.15 0.29 0.65 0.74 0.02 0.00 0.00 177.57 179.42 1dt7 h THR 81 N 1.28 1.25 -1.01 2.57 2.02 -1.39 0.13 112.91 117.77 1dt7 h THR 81 Ca 0.32 -0.46 0.17 0.00 0.77 0.00 0.00 66.41 67.21 1dt7 h THR 81 Cb 0.01 -0.20 -0.10 0.00 -1.74 0.00 0.00 68.15 66.12 1dt7 h THR 81 CO -0.05 0.25 0.62 0.74 0.37 0.00 0.00 175.52 177.44 1dt7 h THR 82 N 1.34 0.78 -1.00 3.16 2.02 -1.11 0.68 112.91 118.79 1dt7 h THR 82 Ca 0.36 -0.29 0.01 0.00 0.77 0.00 0.00 66.41 67.26 1dt7 h THR 82 Cb -0.15 -0.14 -0.05 0.00 -1.74 0.00 0.00 68.15 66.06 1dt7 h THR 82 CO -0.08 0.16 0.66 0.00 0.37 0.00 0.00 175.52 176.63 1dt7 h ALA 83 N 1.61 1.28 -0.01 6.16 0.00 -0.78 -0.19 119.26 127.32 1dt7 h ALA 83 Ca 0.55 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.39 1dt7 h ALA 83 Cb 0.75 -0.41 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1dt7 h ALA 83 CO -0.34 0.67 0.01 0.00 0.00 0.00 0.00 179.25 179.59 1dt7 h HIS 85 N 0.00 1.22 -0.51 0.00 6.17 -0.37 2.81 115.15 124.46 1dt7 h HIS 85 Ca 0.01 0.03 -0.06 0.00 0.71 0.00 0.00 60.37 61.05 1dt7 h HIS 85 Cb 0.03 -0.41 -0.02 0.00 2.52 0.00 0.00 27.41 29.52 1dt7 h HIS 85 CO 0.00 0.77 0.06 0.93 0.71 0.00 0.00 177.93 180.40 1dt7 h GLU 86 N 1.31 0.81 0.00 5.26 3.07 -1.26 -1.88 114.58 121.89 1dt7 h GLU 86 Ca 0.35 -0.19 -0.07 0.00 -0.50 0.00 0.00 59.36 58.95 1dt7 h GLU 86 Cb -0.15 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 27.64 1dt7 h GLU 86 CO -0.08 0.78 -1.45 1.19 -1.40 0.00 0.00 179.01 178.05 1dt7 n PHE 87 N -4.24 0.67 1.06 4.33 3.72 -0.67 -4.08 117.46 118.23 1dt7 n PHE 87 Ca 0.03 0.20 0.13 0.00 -0.05 0.00 0.00 57.45 57.76 1dt7 n PHE 87 Cb 0.27 -0.88 0.38 0.00 -0.94 0.00 0.00 39.48 38.30 1dt7 n PHE 87 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1dt7 n PHE 88 N -2.63 0.00 -1.29 1.38 -0.00 0.93 -4.39 117.46 111.47 1dt7 n PHE 88 Ca -0.06 0.00 -0.37 0.00 -0.00 0.00 0.00 57.45 57.02 1dt7 n PHE 88 Cb 0.67 -0.29 -0.04 0.00 -0.00 0.00 0.00 39.48 39.82 1dt7 n PHE 88 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.76 175.91 1dt7 n GLU 89 N -1.38 3.59 -0.36 -4.13 0.28 -0.72 -4.56 120.64 113.37 1dt7 n GLU 89 Ca 0.07 -2.12 -0.02 0.00 -0.16 0.00 0.00 57.16 54.93 1dt7 n GLU 89 Cb 0.33 -2.75 0.12 0.00 1.43 0.00 0.00 31.44 30.58 1dt7 n GLU 89 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 1dt7 h HIS 90 N 4.90 1.24 0.00 -1.84 2.76 -1.90 -3.51 115.15 116.80 1dt7 h HIS 90 Ca 0.84 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 59.03 1dt7 h HIS 90 Cb 0.35 -0.42 0.00 0.00 1.55 0.00 0.00 27.41 28.89 1dt7 h HIS 90 CO 1.88 0.78 0.00 -1.91 -1.30 0.00 0.00 177.93 177.38