#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 -5.63 -0.72 3.17 2.88 -1.26 -4.77 113.62 107.29 1dt7 n SER 1 Ca 0.00 0.06 0.00 0.00 -1.33 0.00 0.00 58.87 57.60 1dt7 n SER 1 Cb 0.00 -3.34 0.00 0.00 -0.75 0.00 0.00 64.21 60.12 1dt7 n SER 1 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1dt7 n GLU 2 N 0.18 0.83 0.14 -1.46 1.02 -1.26 -3.93 120.64 116.16 1dt7 n GLU 2 Ca -0.02 0.00 0.06 0.00 -0.02 0.00 0.00 57.16 57.18 1dt7 n GLU 2 Cb 0.47 -1.27 0.54 0.00 -0.02 0.00 0.00 31.44 31.16 1dt7 n GLU 2 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1dt7 h LEU 3 N 0.62 0.22 -0.92 -4.62 5.85 -2.01 -1.33 115.31 113.12 1dt7 h LEU 3 Ca 0.00 -0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.65 1dt7 h LEU 3 Cb 0.60 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.55 1dt7 h LEU 3 CO 0.00 0.16 0.05 1.05 -0.34 0.00 0.00 178.44 179.36 1dt7 h GLU 4 N 0.26 0.84 -0.75 1.25 4.11 -1.99 -2.22 114.58 116.08 1dt7 h GLU 4 Ca 0.07 -0.21 -0.06 0.00 0.07 0.00 0.00 59.36 59.23 1dt7 h GLU 4 Cb -0.03 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.08 1dt7 h GLU 4 CO -0.01 0.81 0.23 -0.22 0.07 0.00 0.00 179.01 179.89 1dt7 h LYS 5 N 0.79 1.17 -0.50 1.06 3.64 -1.56 -2.47 116.57 118.69 1dt7 h LYS 5 Ca 0.16 -0.25 -0.13 0.00 -1.27 0.00 0.00 60.65 59.16 1dt7 h LYS 5 Cb 0.41 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 1dt7 h LYS 5 CO 0.01 0.99 -0.19 0.00 -2.27 0.00 0.00 179.45 177.99 1dt7 h ALA 6 N 1.12 0.70 -0.90 5.00 0.00 -1.25 -2.35 119.26 121.59 1dt7 h ALA 6 Ca 0.24 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1dt7 h ALA 6 Cb 0.31 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 1dt7 h ALA 6 CO -0.01 0.68 0.48 0.52 0.00 0.00 0.00 179.25 180.92 1dt7 h MET 7 N 0.88 1.26 -0.64 0.00 2.86 -1.19 -2.18 114.93 115.92 1dt7 h MET 7 Ca 0.12 -0.15 -0.09 0.00 -2.06 0.00 0.00 59.70 57.51 1dt7 h MET 7 Cb 0.77 -0.24 -0.02 0.00 0.06 0.00 0.00 31.60 32.17 1dt7 h MET 7 CO 0.06 0.93 0.04 0.28 1.06 0.00 0.00 176.91 179.28 1dt7 h VAL 8 N 1.26 1.27 -0.82 -2.22 2.07 -1.31 -3.03 116.25 113.46 1dt7 h VAL 8 Ca 0.31 -1.12 -0.04 0.00 0.82 0.00 0.00 66.70 66.67 1dt7 h VAL 8 Cb 0.04 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 30.51 1dt7 h VAL 8 CO -0.05 0.41 0.36 0.00 0.02 0.00 0.00 177.57 178.31 1dt7 h ALA 9 N 1.01 1.07 -1.00 1.67 0.00 -0.85 -2.14 119.26 119.01 1dt7 h ALA 9 Ca 0.19 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1dt7 h ALA 9 Cb 0.52 -0.32 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 1dt7 h ALA 9 CO 0.03 0.67 0.66 -0.07 0.00 0.00 0.00 179.25 180.54 1dt7 h LEU 10 N 1.19 1.15 -0.59 0.00 3.38 -1.31 -2.09 115.31 117.03 1dt7 h LEU 10 Ca 0.28 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 58.11 1dt7 h LEU 10 Cb 0.18 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1dt7 h LEU 10 CO -0.03 0.84 -0.03 0.40 0.09 0.00 0.00 178.44 179.71 1dt7 h ILE 11 N 1.36 1.27 -0.23 1.22 2.04 -1.42 -2.46 117.51 119.28 1dt7 h ILE 11 Ca 0.37 -1.20 0.00 0.00 1.00 0.00 0.00 64.86 65.03 1dt7 h ILE 11 Cb -0.15 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 1dt7 h ILE 11 CO -0.08 0.43 0.15 -0.78 0.00 0.00 0.00 178.15 177.87 1dt7 h ASP 12 N 0.97 0.27 -0.37 1.72 1.82 -0.75 -2.53 116.42 117.56 1dt7 h ASP 12 Ca 0.16 -0.03 -0.16 0.00 -0.39 0.00 0.00 57.03 56.61 1dt7 h ASP 12 Cb 0.60 -0.07 -0.00 0.00 0.68 0.00 0.00 39.33 40.54 1dt7 h ASP 12 CO 0.04 0.22 -0.41 1.62 -1.61 0.00 0.00 179.24 179.09 1dt7 h VAL 13 N 0.30 1.27 -0.95 2.25 3.04 -1.50 -3.11 116.25 117.56 1dt7 h VAL 13 Ca 0.08 -1.59 0.02 0.00 -1.01 0.00 0.00 66.70 64.21 1dt7 h VAL 13 Cb -0.01 1.42 -0.05 0.00 -2.01 0.00 0.00 31.29 30.63 1dt7 h VAL 13 CO -0.02 0.53 0.63 0.15 -1.01 0.00 0.00 177.57 177.85 1dt7 h PHE 14 N 0.76 1.18 0.00 3.17 3.04 -1.34 -0.83 116.94 122.91 1dt7 h PHE 14 Ca 0.05 0.03 -0.04 0.00 3.98 0.00 0.00 57.97 61.99 1dt7 h PHE 14 Cb 1.01 -0.40 -0.01 0.00 2.56 0.00 0.00 35.95 39.12 1dt7 h PHE 14 CO 0.06 0.72 -0.20 0.45 -2.02 0.00 0.00 178.31 177.33 1dt7 h HIS 15 N 1.25 0.00 -0.80 0.41 3.86 -1.39 -1.81 115.15 116.67 1dt7 h HIS 15 Ca 0.36 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.56 1dt7 h HIS 15 Cb -0.09 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.34 1dt7 h HIS 15 CO -0.00 0.20 0.48 1.96 0.86 0.00 0.00 177.93 181.43 1dt7 h GLN 16 N 0.00 1.09 0.09 2.45 1.08 -1.08 -2.46 115.11 116.28 1dt7 h GLN 16 Ca -0.00 -0.10 -0.36 0.00 -1.45 0.00 0.00 58.65 56.73 1dt7 h GLN 16 Cb 0.57 -0.23 -0.03 0.00 -0.05 0.00 0.00 27.48 27.75 1dt7 h GLN 16 CO 0.03 0.77 -2.09 0.66 -0.95 0.00 0.00 178.83 177.25 1dt7 n TYR 17 N -4.46 0.95 -0.36 2.96 4.02 -1.13 -3.50 117.16 115.63 1dt7 n TYR 17 Ca 0.08 0.21 -0.03 0.00 -0.01 0.00 0.00 57.90 58.15 1dt7 n TYR 17 Cb 0.06 -1.13 0.10 0.00 -0.02 0.00 0.00 39.34 38.35 1dt7 n TYR 17 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1dt7 h SER 18 N 0.05 1.14 1.11 7.72 4.64 -1.38 -1.38 113.55 125.45 1dt7 h SER 18 Ca -0.45 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 1dt7 h SER 18 Cb 2.01 -0.29 0.00 0.00 -0.31 0.00 0.00 62.40 63.82 1dt7 h SER 18 CO 0.05 0.85 -0.12 0.61 -0.87 0.00 0.00 176.83 177.35 1dt7 n GLY 19 N -1.30 -1.54 0.15 -0.77 0.00 -0.93 -3.44 105.19 97.35 1dt7 n GLY 19 Ca 0.11 -0.11 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 0.41 0.00 1.61 2.43 -1.28 -3.37 114.38 114.18 1dt7 h ARG 20 Ca 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1dt7 h ARG 20 Cb 0.62 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 1dt7 h ARG 20 CO 0.00 0.27 0.00 -1.91 -1.51 0.00 0.00 179.97 176.82 1dt7 n GLU 21 N -4.87 0.00 0.00 0.20 4.07 -1.24 -5.04 120.64 113.76 1dt7 n GLU 21 Ca -0.01 0.13 0.00 0.00 -0.06 0.00 0.00 57.16 57.22 1dt7 n GLU 21 Cb 0.02 -0.52 0.00 0.00 -0.06 0.00 0.00 31.44 30.88 1dt7 n GLU 21 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1dt7 n GLY 22 N 2.23 0.00 3.54 8.31 0.00 -1.22 -5.05 105.19 113.00 1dt7 n GLY 22 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1dt7 n GLY 22 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1dt7 s ASP 23 N 0.00 6.75 0.14 1.61 1.01 -1.24 -4.77 116.67 120.17 1dt7 s ASP 23 Ca 0.00 -2.20 -0.11 0.00 0.71 0.00 0.00 52.55 50.95 1dt7 s ASP 23 Cb 0.00 -2.52 -0.05 0.00 1.01 0.00 0.00 42.92 41.36 1dt7 s ASP 23 CO 0.00 -1.19 1.47 0.11 0.21 0.00 0.00 175.17 175.77 1dt7 h LYS 24 N 8.31 0.93 0.00 8.23 1.57 -1.95 -3.11 116.57 130.55 1dt7 h LYS 24 Ca 0.32 -0.51 0.00 0.00 -1.87 0.00 0.00 60.65 58.59 1dt7 h LYS 24 Cb 0.93 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.27 1dt7 h LYS 24 CO 1.37 1.16 -0.01 1.25 -0.57 0.00 0.00 179.45 182.65 1dt7 h HIS 25 N 0.75 0.00 -3.70 -1.35 2.76 -1.91 -3.46 115.15 108.24 1dt7 h HIS 25 Ca 0.05 0.00 -0.36 0.00 -2.20 0.00 0.00 60.37 57.86 1dt7 h HIS 25 Cb 1.01 0.00 -0.18 0.00 1.55 0.00 0.00 27.41 29.78 1dt7 h HIS 25 CO 0.06 0.00 -0.75 0.21 -1.30 0.00 0.00 177.93 176.16 1dt7 s LYS 26 N -3.21 0.90 -0.02 5.26 2.20 -1.17 -3.60 119.74 120.09 1dt7 s LYS 26 Ca 0.07 -1.16 0.06 0.00 -0.36 0.00 0.00 55.97 54.58 1dt7 s LYS 26 Cb 0.05 -0.68 -0.01 0.00 -1.51 0.00 0.00 37.83 35.68 1dt7 s LYS 26 CO 0.67 0.12 -0.18 -1.17 -0.36 0.00 0.00 175.35 174.43 1dt7 s LEU 27 N -2.36 2.02 0.07 5.43 2.96 -0.81 -4.49 118.68 121.49 1dt7 s LEU 27 Ca 0.06 -0.34 0.04 0.00 -0.22 0.00 0.00 54.13 53.67 1dt7 s LEU 27 Cb -0.04 -0.96 -0.04 0.00 0.50 0.00 0.00 46.19 45.65 1dt7 s LEU 27 CO 0.01 0.22 -0.00 -0.75 -1.32 0.00 0.00 176.35 174.51 1dt7 s LYS 28 N -0.37 2.61 0.62 1.98 2.20 -1.26 -1.12 119.74 124.39 1dt7 s LYS 28 Ca 0.06 -0.78 0.23 0.00 -0.36 0.00 0.00 55.97 55.12 1dt7 s LYS 28 Cb -0.08 -2.57 0.94 0.00 -1.51 0.00 0.00 37.83 34.61 1dt7 s LYS 28 CO -0.00 0.56 1.42 1.57 -0.36 0.00 0.00 175.35 178.54 1dt7 h LYS 29 N 3.67 0.00 0.05 4.03 2.10 -1.93 0.56 116.57 125.05 1dt7 h LYS 29 Ca -0.48 0.00 -0.00 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 0.59 0.00 -0.03 1.03 -2.00 0.00 0.00 179.45 179.05 1dt7 h SER 30 N 0.00 -0.06 -0.76 7.07 0.87 -1.93 -2.20 113.55 116.54 1dt7 h SER 30 Ca 0.32 -0.57 -0.04 0.00 -1.23 0.00 0.00 61.79 60.27 1dt7 h SER 30 Cb 2.28 0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 64.22 1dt7 h SER 30 CO -0.00 0.58 0.32 -0.33 -0.53 0.00 0.00 176.83 176.87 1dt7 h GLU 31 N -0.76 1.14 -0.98 2.24 5.08 -0.37 -2.56 114.58 118.38 1dt7 h GLU 31 Ca -0.01 -0.20 0.01 0.00 -1.00 0.00 0.00 59.36 58.17 1dt7 h GLU 31 Cb 0.63 -0.19 -0.05 0.00 0.50 0.00 0.00 28.75 29.64 1dt7 h GLU 31 CO 0.01 0.92 0.65 1.25 -1.00 0.00 0.00 179.01 180.84 1dt7 h LEU 32 N 1.12 1.13 -1.00 1.33 5.85 -1.01 -1.99 115.31 120.74 1dt7 h LEU 32 Ca 0.26 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.96 1dt7 h LEU 32 Cb 0.20 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 40.89 1dt7 h LEU 32 CO -0.02 0.82 0.64 0.50 -0.34 0.00 0.00 178.44 180.04 1dt7 h LYS 33 N 1.33 1.32 -0.66 1.25 3.64 -0.97 -1.72 116.57 120.76 1dt7 h LYS 33 Ca 0.36 -0.09 -0.07 0.00 -1.27 0.00 0.00 60.65 59.58 1dt7 h LYS 33 Cb -0.16 -0.29 -0.03 0.00 -0.41 0.00 0.00 32.23 31.35 1dt7 h LYS 33 CO -0.08 0.89 0.12 0.93 -2.27 0.00 0.00 179.45 179.03 1dt7 h GLU 34 N 1.36 1.08 -0.01 1.90 5.08 -1.29 0.65 114.58 123.34 1dt7 h GLU 34 Ca 0.36 -0.28 -0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1dt7 h GLU 34 Cb -0.13 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 28.98 1dt7 h GLU 34 CO -0.08 0.98 0.00 1.25 -1.00 0.00 0.00 179.01 180.17 1dt7 h LEU 35 N 1.01 0.01 -0.05 1.33 6.46 -0.79 -0.96 115.31 122.33 1dt7 h LEU 35 Ca 0.20 -0.05 -0.03 0.00 -0.12 0.00 0.00 57.88 57.88 1dt7 h LEU 35 Cb 0.42 -0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.35 1dt7 h LEU 35 CO 0.01 0.06 -0.10 0.40 -0.62 0.00 0.00 178.44 178.19 1dt7 h ILE 36 N -0.04 1.43 -0.70 4.05 2.04 -1.08 0.13 117.51 123.34 1dt7 h ILE 36 Ca 0.00 -1.42 -0.06 0.00 1.00 0.00 0.00 64.86 64.38 1dt7 h ILE 36 Cb 0.05 2.26 -0.03 0.00 -0.74 0.00 0.00 36.82 38.36 1dt7 h ILE 36 CO -0.00 0.39 0.20 -1.13 0.00 0.00 0.00 178.15 177.61 1dt7 h ASN 37 N -0.37 1.04 0.03 1.72 -0.73 0.31 -2.88 115.58 114.70 1dt7 h ASN 37 Ca 0.00 -0.22 -0.37 0.00 1.87 0.00 0.00 56.30 57.58 1dt7 h ASN 37 Cb 0.68 -0.27 -0.07 0.00 0.27 0.00 0.00 38.32 38.93 1dt7 h ASN 37 CO 0.02 0.99 -2.38 0.59 -0.37 0.00 0.00 177.43 176.28 1dt7 n ASN 38 N -4.28 0.97 -0.00 1.15 5.03 -0.37 -3.74 115.26 114.02 1dt7 n ASN 38 Ca 0.05 -0.03 0.14 0.00 0.87 0.00 0.00 54.58 55.62 1dt7 n ASN 38 Cb 0.24 0.27 0.64 0.00 -1.02 0.00 0.00 39.78 39.91 1dt7 n ASN 38 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.26 176.64 1dt7 n GLU 39 N -3.01 0.07 -2.68 3.52 2.13 0.47 -3.92 120.64 117.22 1dt7 n GLU 39 Ca -0.38 -0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.35 1dt7 n GLU 39 Cb 1.08 -1.50 0.04 0.00 0.27 0.00 0.00 31.44 31.32 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 -1.46 1.15 -0.26 4.31 4.77 -1.09 -4.88 117.00 119.54 1dt7 n LEU 40 Ca 0.08 -3.73 -0.05 0.00 -0.03 0.00 0.00 56.01 52.29 1dt7 n LEU 40 Cb 0.32 0.41 0.06 0.00 -2.33 0.00 0.00 43.42 41.88 1dt7 n LEU 40 CO 0.26 1.61 1.18 -1.28 -1.33 0.00 0.00 177.39 177.83 1dt7 h SER 41 N 2.92 0.84 0.00 -1.43 0.87 -1.68 -3.19 113.55 111.89 1dt7 h SER 41 Ca -0.11 -0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.42 1dt7 h SER 41 Cb 1.18 -0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 62.93 1dt7 h SER 41 CO 0.45 0.61 -1.02 1.41 -0.53 0.00 0.00 176.83 177.76 1dt7 n HIS 42 N -4.57 0.00 -0.34 2.24 8.25 -1.26 -4.15 115.22 115.40 1dt7 n HIS 42 Ca 0.07 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.49 1dt7 n HIS 42 Cb 0.02 -0.01 0.09 0.00 1.12 0.00 0.00 29.99 31.20 1dt7 n HIS 42 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 1dt7 h PHE 43 N 0.00 1.25 -3.41 4.41 3.57 -1.90 -3.44 116.94 117.41 1dt7 h PHE 43 Ca -0.01 -0.03 -0.32 0.00 3.53 0.00 0.00 57.97 61.14 1dt7 h PHE 43 Cb 0.63 -0.40 -0.15 0.00 2.79 0.00 0.00 35.95 38.83 1dt7 h PHE 43 CO 0.00 0.86 -0.71 -1.17 -2.23 0.00 0.00 178.31 175.06 1dt7 s LEU 44 N -9.91 2.53 -0.25 0.59 2.96 -1.20 -5.06 118.68 108.33 1dt7 s LEU 44 Ca -0.13 -1.01 -0.33 0.00 -0.22 0.00 0.00 54.13 52.44 1dt7 s LEU 44 Cb 0.17 -0.33 -0.10 0.00 0.50 0.00 0.00 46.19 46.43 1dt7 s LEU 44 CO 0.83 -0.34 2.12 -1.84 -1.32 0.00 0.00 176.35 175.80 1dt7 n GLU 45 N -0.19 1.58 -1.88 1.98 0.28 -1.26 -4.55 120.64 116.59 1dt7 n GLU 45 Ca -0.10 0.47 -0.38 0.00 -0.16 0.00 0.00 57.16 57.00 1dt7 n GLU 45 Cb 0.61 -2.72 0.04 0.00 1.43 0.00 0.00 31.44 30.79 1dt7 n GLU 45 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 1dt7 s GLU 46 N 5.75 3.15 0.03 3.44 2.12 -1.26 -4.97 118.70 126.96 1dt7 s GLU 46 Ca 1.03 2.09 -0.22 0.00 0.36 0.00 0.00 54.97 58.23 1dt7 s GLU 46 Cb -0.67 -2.19 -0.06 0.00 0.26 0.00 0.00 34.13 31.47 1dt7 s GLU 46 CO 0.46 -1.14 0.66 0.42 -0.54 0.00 0.00 175.26 175.13 1dt7 s ILE 47 N -1.39 4.80 -0.18 -3.70 -1.09 -1.26 -4.95 121.20 113.43 1dt7 s ILE 47 Ca 0.72 1.40 0.14 0.00 -2.23 0.00 0.00 60.65 60.68 1dt7 s ILE 47 Cb -0.37 -4.00 -0.20 0.00 -1.58 0.00 0.00 42.46 36.30 1dt7 s ILE 47 CO 0.43 0.42 0.38 0.29 -1.23 0.00 0.00 174.94 175.23 1dt7 n LYS 48 N 2.59 0.95 -3.90 2.79 4.76 -1.26 -4.87 118.16 119.22 1dt7 n LYS 48 Ca -0.06 -0.10 -0.11 0.00 -2.87 0.00 0.00 58.31 55.17 1dt7 n LYS 48 Cb 0.51 -1.29 -0.13 0.00 -1.84 0.00 0.00 35.03 32.27 1dt7 n LYS 48 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 1dt7 s GLU 49 N -2.81 0.08 0.55 1.97 2.56 -1.26 -5.03 118.70 114.77 1dt7 s GLU 49 Ca -0.03 -0.14 0.24 0.00 0.00 0.00 0.00 54.97 55.05 1dt7 s GLU 49 Cb 0.09 0.03 1.56 0.00 2.00 0.00 0.00 34.13 37.81 1dt7 s GLU 49 CO 0.58 -0.01 2.18 0.37 -0.56 0.00 0.00 175.26 177.82 1dt7 h GLN 50 N 5.78 0.00 -0.73 4.30 5.75 -2.01 -2.55 115.11 125.64 1dt7 h GLN 50 Ca -0.26 0.00 0.01 0.00 -0.15 0.00 0.00 58.65 58.25 1dt7 h GLN 50 Cb 1.21 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 29.72 1dt7 h GLN 50 CO 0.48 0.03 0.48 1.05 -2.65 0.00 0.00 178.83 178.23 1dt7 h GLU 51 N 0.00 0.96 -1.01 1.69 4.11 -1.99 -1.00 114.58 117.34 1dt7 h GLU 51 Ca -0.00 -0.06 0.01 0.00 0.07 0.00 0.00 59.36 59.38 1dt7 h GLU 51 Cb 0.08 -0.22 -0.05 0.00 0.50 0.00 0.00 28.75 29.06 1dt7 h GLU 51 CO 0.00 0.64 0.66 0.28 0.07 0.00 0.00 179.01 180.66 1dt7 h VAL 52 N 0.99 1.26 -0.60 -1.06 2.07 -1.89 -0.62 116.25 116.39 1dt7 h VAL 52 Ca 0.27 -0.47 -0.05 0.00 0.82 0.00 0.00 66.70 67.26 1dt7 h VAL 52 Cb -0.11 -0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 29.41 1dt7 h VAL 52 CO -0.06 0.25 0.17 0.58 0.02 0.00 0.00 177.57 178.54 1dt7 h VAL 53 N 1.37 1.23 -0.91 2.57 2.07 -1.33 -1.87 116.25 119.37 1dt7 h VAL 53 Ca 0.37 -0.82 -0.01 0.00 0.82 0.00 0.00 66.70 67.06 1dt7 h VAL 53 Cb -0.15 0.58 -0.04 0.00 -1.52 0.00 0.00 31.29 30.16 1dt7 h VAL 53 CO -0.08 0.31 0.54 -0.78 0.02 0.00 0.00 177.57 177.58 1dt7 h ASP 54 N 0.89 1.11 -0.58 0.57 1.82 -0.31 0.13 116.42 120.06 1dt7 h ASP 54 Ca 0.20 -0.07 -0.11 0.00 -0.39 0.00 0.00 57.03 56.66 1dt7 h ASP 54 Cb 0.28 -0.28 -0.02 0.00 0.68 0.00 0.00 39.33 39.99 1dt7 h ASP 54 CO -0.01 0.86 -0.07 0.50 -1.61 0.00 0.00 179.24 178.92 1dt7 h LYS 55 N 1.26 1.06 0.00 0.28 3.64 -0.84 -1.65 116.57 120.33 1dt7 h LYS 55 Ca 0.33 -0.37 -0.06 0.00 -1.27 0.00 0.00 60.65 59.28 1dt7 h LYS 55 Cb -0.03 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 1dt7 h LYS 55 CO -0.06 1.07 -0.27 0.28 -2.27 0.00 0.00 179.45 178.21 1dt7 h VAL 56 N 0.95 1.07 -0.30 2.00 2.07 -0.59 -1.90 116.25 119.55 1dt7 h VAL 56 Ca 0.16 -0.96 -0.10 0.00 0.82 0.00 0.00 66.70 66.61 1dt7 h VAL 56 Cb 0.64 1.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.93 1dt7 h VAL 56 CO 0.04 0.26 -0.24 0.24 0.02 0.00 0.00 177.57 177.90 1dt7 h MET 57 N 0.00 0.59 -0.91 1.57 2.86 0.18 0.27 114.93 119.49 1dt7 h MET 57 Ca -0.00 -0.23 0.13 0.00 -2.06 0.00 0.00 59.70 57.54 1dt7 h MET 57 Cb 0.51 -0.03 -0.07 0.00 0.06 0.00 0.00 31.60 32.07 1dt7 h MET 57 CO 0.03 0.78 0.58 0.93 1.06 0.00 0.00 176.91 180.30 1dt7 h GLU 58 N 0.52 0.77 0.04 1.72 4.39 -0.88 3.16 114.58 124.30 1dt7 h GLU 58 Ca 0.07 -0.05 -0.07 0.00 0.34 0.00 0.00 59.36 59.66 1dt7 h GLU 58 Cb 0.69 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 29.17 1dt7 h GLU 58 CO 0.05 0.51 -0.33 1.15 -1.16 0.00 0.00 179.01 179.22 1dt7 h THR 59 N 0.79 1.65 0.00 1.13 2.02 -1.33 -3.37 112.91 113.81 1dt7 h THR 59 Ca 0.45 -2.40 0.00 0.00 0.77 0.00 0.00 66.41 65.23 1dt7 h THR 59 Cb 0.61 3.27 0.00 0.00 -1.74 0.00 0.00 68.15 70.29 1dt7 h THR 59 CO -0.21 0.63 -0.64 0.18 0.37 0.00 0.00 175.52 175.84 1dt7 n LEU 60 N -4.44 0.63 -3.36 2.58 4.77 0.87 -4.31 117.00 113.73 1dt7 n LEU 60 Ca -0.13 0.15 -0.39 0.00 -0.03 0.00 0.00 56.01 55.61 1dt7 n LEU 60 Cb 0.60 -0.19 -0.03 0.00 -2.33 0.00 0.00 43.42 41.47 1dt7 n LEU 60 CO 0.38 -0.00 3.27 -0.67 -1.33 0.00 0.00 177.39 179.03 1dt7 n ASP 61 N -1.95 8.33 -0.38 -1.43 -0.08 1.05 -4.56 116.55 117.53 1dt7 n ASP 61 Ca 0.04 -2.64 -0.01 0.00 -1.51 0.00 0.00 54.79 50.67 1dt7 n ASP 61 Cb 0.42 -1.55 0.13 0.00 2.34 0.00 0.00 41.12 42.45 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 5.05 1.27 0.00 -0.67 5.08 -1.79 0.30 114.58 123.82 1dt7 h GLU 62 Ca 0.84 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 59.12 1dt7 h GLU 62 Cb 0.31 -0.29 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1dt7 h GLU 62 CO 1.77 0.84 0.00 -0.25 -1.00 0.00 0.00 179.01 180.37 1dt7 n ASP 63 N -4.42 0.17 -2.45 1.42 8.00 -1.26 -4.87 116.55 113.14 1dt7 n ASP 63 Ca 0.13 0.53 -0.21 0.00 0.71 0.00 0.00 54.79 55.95 1dt7 n ASP 63 Cb 0.06 -0.57 0.00 0.00 -0.02 0.00 0.00 41.12 40.59 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 0.70 -0.47 0.76 0.44 0.00 0.10 -4.86 105.19 101.87 1dt7 n GLY 64 Ca 0.05 -0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.98 2.90 0.00 1.61 5.75 -1.26 -4.92 116.55 118.64 1dt7 n ASP 65 Ca -0.21 -1.87 0.00 0.00 -0.01 0.00 0.00 54.79 52.70 1dt7 n ASP 65 Cb 0.67 -0.20 0.00 0.00 -1.03 0.00 0.00 41.12 40.55 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 0.84 0.49 2.85 6.12 0.00 -1.26 -4.99 105.19 109.25 1dt7 n GLY 66 Ca 0.13 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.22 -0.01 -0.13 1.61 2.02 -1.26 -3.18 118.70 117.53 1dt7 s GLU 67 Ca 0.00 0.03 -0.01 0.00 0.02 0.00 0.00 54.97 55.01 1dt7 s GLU 67 Cb 0.00 -0.04 -0.02 0.00 0.10 0.00 0.00 34.13 34.17 1dt7 s GLU 67 CO 0.00 -0.03 -0.11 0.00 0.02 0.00 0.00 175.26 175.15 1dt7 s ASP 69 N 0.29 4.62 0.40 0.00 1.01 -1.26 -1.93 116.67 119.79 1dt7 s ASP 69 Ca -0.08 1.79 0.20 0.00 0.71 0.00 0.00 52.55 55.17 1dt7 s ASP 69 Cb -0.15 -2.51 1.14 0.00 1.01 0.00 0.00 42.92 42.41 1dt7 s ASP 69 CO 0.05 -1.96 1.74 0.15 0.21 0.00 0.00 175.17 175.36 1dt7 h PHE 70 N -1.08 0.67 -0.07 4.23 3.57 -1.90 0.50 116.94 122.87 1dt7 h PHE 70 Ca -0.44 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.09 1dt7 h PHE 70 Cb 1.23 -0.19 -0.00 0.00 2.79 0.00 0.00 35.95 39.78 1dt7 h PHE 70 CO 0.58 0.01 0.04 0.37 -2.23 0.00 0.00 178.31 177.08 1dt7 h GLN 71 N 0.35 0.09 -1.00 1.11 4.15 -1.89 -1.50 115.11 116.42 1dt7 h GLN 71 Ca 0.64 -0.01 0.01 0.00 0.77 0.00 0.00 58.65 60.06 1dt7 h GLN 71 Cb 1.67 -0.02 -0.05 0.00 0.21 0.00 0.00 27.48 29.29 1dt7 h GLN 71 CO -0.34 0.06 0.67 0.93 -1.93 0.00 0.00 178.83 178.22 1dt7 h GLU 72 N 0.09 1.32 -0.09 1.69 5.08 -0.34 -1.54 114.58 120.79 1dt7 h GLU 72 Ca 0.02 -0.08 -0.08 0.00 -1.00 0.00 0.00 59.36 58.22 1dt7 h GLU 72 Cb -0.01 -0.30 -0.01 0.00 0.50 0.00 0.00 28.75 28.93 1dt7 h GLU 72 CO -0.01 0.88 -0.33 0.35 -1.00 0.00 0.00 179.01 178.90 1dt7 h PHE 73 N 1.36 0.19 -0.65 4.33 3.57 -1.06 -2.68 116.94 122.00 1dt7 h PHE 73 Ca 0.37 -0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.83 1dt7 h PHE 73 Cb -0.16 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 38.50 1dt7 h PHE 73 CO 0.00 0.48 0.43 0.52 -2.23 0.00 0.00 178.31 177.51 1dt7 h MET 74 N 0.15 0.85 -0.10 1.11 2.86 -0.21 -1.84 114.93 117.74 1dt7 h MET 74 Ca 0.02 -0.05 -0.12 0.00 -2.06 0.00 0.00 59.70 57.48 1dt7 h MET 74 Cb 0.66 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 32.12 1dt7 h MET 74 CO 0.05 0.57 -0.48 0.00 1.06 0.00 0.00 176.91 178.11 1dt7 h ALA 75 N 1.59 1.00 -1.01 6.32 0.00 -1.35 -2.96 119.26 122.85 1dt7 h ALA 75 Ca 0.24 -0.46 0.01 0.00 0.00 0.00 0.00 54.91 54.70 1dt7 h ALA 75 Cb -0.10 -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 0.21 1.27 -0.53 0.00 3.57 -1.32 -1.64 116.94 118.50 1dt7 h PHE 76 Ca 0.01 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.50 1dt7 h PHE 76 Cb 0.92 -0.43 -0.02 0.00 2.79 0.00 0.00 35.95 39.21 1dt7 h PHE 76 CO 0.02 0.80 0.16 0.28 -2.23 0.00 0.00 178.31 177.33 1dt7 h VAL 77 N 1.37 1.21 -0.74 1.41 2.07 -1.38 -2.50 116.25 117.69 1dt7 h VAL 77 Ca 0.37 -0.73 -0.02 0.00 0.82 0.00 0.00 66.70 67.14 1dt7 h VAL 77 Cb -0.15 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.22 1dt7 h VAL 77 CO -0.08 0.28 0.39 -1.28 0.02 0.00 0.00 177.57 176.90 1dt7 h SER 78 N 0.77 0.93 -0.03 0.57 0.87 -1.22 -1.77 113.55 113.68 1dt7 h SER 78 Ca 0.18 -0.11 -0.22 0.00 -1.23 0.00 0.00 61.79 60.41 1dt7 h SER 78 Cb 0.24 -0.24 0.02 0.00 -0.44 0.00 0.00 62.40 61.98 1dt7 h SER 78 CO -0.01 0.77 -0.83 0.24 -0.53 0.00 0.00 176.83 176.48 1dt7 h MET 79 N 1.02 0.61 -0.57 2.24 2.07 -1.33 -3.15 114.93 115.82 1dt7 h MET 79 Ca 0.26 -0.62 -0.05 0.00 -2.07 0.00 0.00 59.70 57.22 1dt7 h MET 79 Cb 0.05 0.17 -0.03 0.00 -1.87 0.00 0.00 31.60 29.93 1dt7 h MET 79 CO -0.04 1.23 0.15 0.28 1.07 0.00 0.00 176.91 179.59 1dt7 h VAL 80 N 0.23 1.23 -1.01 -2.22 2.07 -1.38 -2.33 116.25 112.84 1dt7 h VAL 80 Ca -0.10 -0.82 0.01 0.00 0.82 0.00 0.00 66.70 66.62 1dt7 h VAL 80 Cb 1.50 0.64 -0.05 0.00 -1.52 0.00 0.00 31.29 31.86 1dt7 h VAL 80 CO 0.16 0.31 0.67 0.74 0.02 0.00 0.00 177.57 179.47 1dt7 h THR 81 N 0.84 1.26 -0.92 2.57 2.02 -1.37 -1.03 112.91 116.27 1dt7 h THR 81 Ca 0.18 -0.47 0.08 0.00 0.77 0.00 0.00 66.41 66.98 1dt7 h THR 81 Cb 0.29 -0.23 -0.07 0.00 -1.74 0.00 0.00 68.15 66.40 1dt7 h THR 81 CO -0.00 0.25 0.60 0.74 0.37 0.00 0.00 175.52 177.47 1dt7 h THR 82 N 1.37 1.01 -0.87 3.16 2.02 -1.38 0.78 112.91 119.00 1dt7 h THR 82 Ca 0.37 -0.34 0.01 0.00 0.77 0.00 0.00 66.41 67.22 1dt7 h THR 82 Cb -0.16 -0.06 -0.04 0.00 -1.74 0.00 0.00 68.15 66.15 1dt7 h THR 82 CO -0.08 0.18 0.58 0.00 0.37 0.00 0.00 175.52 176.56 1dt7 h ALA 83 N 1.52 1.37 -0.60 6.16 0.00 -1.09 -1.65 119.26 124.98 1dt7 h ALA 83 Ca 0.42 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.27 1dt7 h ALA 83 Cb 0.31 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1dt7 h ALA 83 CO -0.17 0.58 0.40 0.00 0.00 0.00 0.00 179.25 180.05 1dt7 h HIS 85 N 0.81 1.18 -0.96 0.00 6.17 -1.02 1.98 115.15 123.31 1dt7 h HIS 85 Ca 0.22 0.03 -0.00 0.00 0.71 0.00 0.00 60.37 61.32 1dt7 h HIS 85 Cb -0.09 -0.40 -0.05 0.00 2.52 0.00 0.00 27.41 29.39 1dt7 h HIS 85 CO -0.00 0.74 0.60 1.49 0.71 0.00 0.00 177.93 181.47 1dt7 h GLU 86 N 1.27 1.30 0.03 5.26 4.57 -1.24 -2.85 114.58 122.92 1dt7 h GLU 86 Ca 0.34 -0.11 -0.07 0.00 -1.18 0.00 0.00 59.36 58.35 1dt7 h GLU 86 Cb -0.14 -0.28 0.01 0.00 -0.16 0.00 0.00 28.75 28.18 1dt7 h GLU 86 CO -0.08 0.90 -0.28 0.35 -1.18 0.00 0.00 179.01 178.71 1dt7 h PHE 87 N 1.32 0.22 -2.22 0.92 3.04 -0.79 -3.36 116.94 116.06 1dt7 h PHE 87 Ca 0.35 -0.14 -0.79 0.00 3.98 0.00 0.00 57.97 61.37 1dt7 h PHE 87 Cb -0.08 -0.02 -0.22 0.00 2.56 0.00 0.00 35.95 38.19 1dt7 h PHE 87 CO 0.00 1.05 1.34 0.34 -2.02 0.00 0.00 178.31 179.03 1dt7 n PHE 88 N -4.46 2.53 -2.57 0.41 7.35 0.66 -4.96 117.46 116.42 1dt7 n PHE 88 Ca -0.11 -2.66 -0.42 0.00 -0.76 0.00 0.00 57.45 53.50 1dt7 n PHE 88 Cb 0.57 -1.56 -0.03 0.00 0.35 0.00 0.00 39.48 38.81 1dt7 n PHE 88 CO 0.00 0.00 0.00 -1.21 -0.76 0.00 0.00 176.76 174.79 1dt7 s GLU 89 N -1.40 3.38 -0.79 -4.13 0.41 -1.09 -4.66 118.70 110.42 1dt7 s GLU 89 Ca 0.35 0.04 -0.26 0.00 -0.41 0.00 0.00 54.97 54.69 1dt7 s GLU 89 Cb 0.07 -4.09 0.03 0.00 -1.78 0.00 0.00 34.13 28.37 1dt7 s GLU 89 CO 0.06 -1.88 1.31 -1.58 -0.49 0.00 0.00 175.26 172.68 1dt7 s HIS 90 N 5.30 2.33 -2.00 1.61 5.65 -1.26 -5.14 115.29 121.78 1dt7 s HIS 90 Ca 0.40 -0.21 0.11 0.00 0.25 0.00 0.00 55.06 55.61 1dt7 s HIS 90 Cb -0.08 -4.64 0.66 0.00 -1.18 0.00 0.00 32.58 27.34 1dt7 s HIS 90 CO 0.21 -2.05 1.10 0.39 -0.65 0.00 0.00 174.74 173.74