#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 -6.08 -0.67 7.83 7.64 -1.26 -4.80 113.62 116.27 1dt7 n SER 1 Ca 0.00 -0.16 0.00 0.00 1.01 0.00 0.00 58.87 59.72 1dt7 n SER 1 Cb 0.00 -4.98 0.00 0.00 -1.01 0.00 0.00 64.21 58.22 1dt7 n SER 1 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1dt7 n GLU 2 N -3.58 0.80 0.27 1.43 1.02 -1.26 -3.93 120.64 115.40 1dt7 n GLU 2 Ca -0.18 0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.09 1dt7 n GLU 2 Cb 0.65 -1.30 0.82 0.00 -0.02 0.00 0.00 31.44 31.60 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 0.54 0.00 -0.66 -4.62 5.85 -2.00 -0.59 115.31 113.82 1dt7 h LEU 3 Ca 0.00 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.63 1dt7 h LEU 3 Cb 0.53 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.54 1dt7 h LEU 3 CO 0.00 0.00 0.08 -0.33 -0.34 0.00 0.00 178.44 177.85 1dt7 h GLU 4 N 0.00 1.11 -0.48 1.25 5.08 -1.98 -2.25 114.58 117.31 1dt7 h GLU 4 Ca 0.01 -0.32 -0.13 0.00 -1.00 0.00 0.00 59.36 57.92 1dt7 h GLU 4 Cb 0.06 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 1dt7 h GLU 4 CO -0.00 1.03 -0.23 -0.22 -1.00 0.00 0.00 179.01 178.60 1dt7 h LYS 5 N 1.03 1.00 -0.36 2.33 3.64 -1.44 -2.66 116.57 120.12 1dt7 h LYS 5 Ca 0.20 -0.44 -0.17 0.00 -1.27 0.00 0.00 60.65 58.97 1dt7 h LYS 5 Cb 0.48 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.27 1dt7 h LYS 5 CO 0.02 1.12 -0.43 0.00 -2.27 0.00 0.00 179.45 177.88 1dt7 h ALA 6 N 0.86 0.54 -0.60 5.00 0.00 -1.33 -2.02 119.26 121.71 1dt7 h ALA 6 Ca 0.11 -0.47 -0.10 0.00 0.00 0.00 0.00 54.91 54.44 1dt7 h ALA 6 Cb 0.81 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1dt7 h ALA 6 CO 0.07 0.68 -0.02 0.52 0.00 0.00 0.00 179.25 180.50 1dt7 h MET 7 N 0.74 1.07 -0.39 0.00 2.86 -1.41 -2.29 114.93 115.51 1dt7 h MET 7 Ca 0.05 -0.35 -0.10 0.00 -2.06 0.00 0.00 59.70 57.23 1dt7 h MET 7 Cb 1.03 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.59 1dt7 h MET 7 CO 0.10 1.06 -0.18 0.28 1.06 0.00 0.00 176.91 179.23 1dt7 h VAL 8 N 0.98 1.26 -0.57 -2.22 2.07 -1.44 -3.06 116.25 113.27 1dt7 h VAL 8 Ca 0.17 -1.26 -0.11 0.00 0.82 0.00 0.00 66.70 66.32 1dt7 h VAL 8 Cb 0.58 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.49 1dt7 h VAL 8 CO 0.03 0.42 -0.06 0.00 0.02 0.00 0.00 177.57 177.98 1dt7 h ALA 9 N 1.14 0.81 -1.01 1.67 0.00 -1.06 -1.74 119.26 119.06 1dt7 h ALA 9 Ca 0.10 -0.34 0.01 0.00 0.00 0.00 0.00 54.91 54.69 1dt7 h ALA 9 Cb 0.67 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 1dt7 h ALA 9 CO 0.05 0.67 0.67 -0.07 0.00 0.00 0.00 179.25 180.57 1dt7 h LEU 10 N 0.94 1.16 -0.55 0.00 3.38 -1.32 -1.89 115.31 117.03 1dt7 h LEU 10 Ca 0.15 -0.03 -0.15 0.00 0.09 0.00 0.00 57.88 57.95 1dt7 h LEU 10 Cb 0.63 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1dt7 h LEU 10 CO 0.04 0.84 -0.43 0.40 0.09 0.00 0.00 178.44 179.38 1dt7 h ILE 11 N 1.36 1.29 -0.57 1.22 2.04 -1.47 -2.95 117.51 118.43 1dt7 h ILE 11 Ca 0.37 -1.61 -0.02 0.00 1.00 0.00 0.00 64.86 64.60 1dt7 h ILE 11 Cb -0.16 1.54 -0.03 0.00 -0.74 0.00 0.00 36.82 37.44 1dt7 h ILE 11 CO -0.08 0.52 0.29 0.44 0.00 0.00 0.00 178.15 179.32 1dt7 h ASP 12 N 0.56 0.74 -0.43 1.72 3.32 -0.52 -2.53 116.42 119.27 1dt7 h ASP 12 Ca 0.04 -0.12 -0.15 0.00 0.02 0.00 0.00 57.03 56.83 1dt7 h ASP 12 Cb 0.97 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.32 1dt7 h ASP 12 CO 0.09 0.64 -0.30 1.62 -1.72 0.00 0.00 179.24 179.57 1dt7 h VAL 13 N 0.77 1.27 -0.97 -1.35 3.04 -1.48 -2.69 116.25 114.84 1dt7 h VAL 13 Ca 0.20 -1.47 0.11 0.00 -1.01 0.00 0.00 66.70 64.53 1dt7 h VAL 13 Cb 0.09 1.25 -0.08 0.00 -2.01 0.00 0.00 31.29 30.54 1dt7 h VAL 13 CO -0.03 0.50 0.62 0.15 -1.01 0.00 0.00 177.57 177.80 1dt7 h PHE 14 N 0.81 1.08 -0.50 3.17 3.04 -1.33 0.46 116.94 123.67 1dt7 h PHE 14 Ca 0.09 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.07 1dt7 h PHE 14 Cb 0.89 -0.34 -0.02 0.00 2.56 0.00 0.00 35.95 39.03 1dt7 h PHE 14 CO 0.06 0.45 0.33 1.25 -2.02 0.00 0.00 178.31 178.38 1dt7 h HIS 15 N 0.96 0.63 -1.01 0.41 2.76 -1.11 -1.08 115.15 116.72 1dt7 h HIS 15 Ca 0.47 0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.67 1dt7 h HIS 15 Cb 0.47 -0.21 -0.05 0.00 1.55 0.00 0.00 27.41 29.16 1dt7 h HIS 15 CO -0.00 0.40 0.67 1.96 -1.30 0.00 0.00 177.93 179.66 1dt7 h GLN 16 N 0.68 1.33 0.00 5.26 4.20 -0.87 -3.12 115.11 122.59 1dt7 h GLN 16 Ca 0.18 -0.08 -0.16 0.00 0.06 0.00 0.00 58.65 58.65 1dt7 h GLN 16 Cb -0.08 -0.30 -0.03 0.00 0.30 0.00 0.00 27.48 27.37 1dt7 h GLN 16 CO -0.04 0.88 -1.67 0.66 -0.67 0.00 0.00 178.83 177.98 1dt7 n TYR 17 N -4.38 0.61 -0.37 2.96 4.02 -1.00 -4.09 117.16 114.91 1dt7 n TYR 17 Ca 0.12 0.20 -0.02 0.00 -0.01 0.00 0.00 57.90 58.19 1dt7 n TYR 17 Cb 0.01 -0.95 0.11 0.00 -0.02 0.00 0.00 39.34 38.49 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 0.00 1.15 -0.18 7.72 4.64 -1.15 -0.45 113.55 125.28 1dt7 h SER 18 Ca -0.19 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 1dt7 h SER 18 Cb 1.55 -0.29 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1dt7 h SER 18 CO 0.03 0.84 0.00 0.61 -0.87 0.00 0.00 176.83 177.44 1dt7 n GLY 19 N -1.35 -0.12 0.04 -0.77 0.00 -1.19 -2.55 105.19 99.25 1dt7 n GLY 19 Ca 0.12 -0.22 -0.12 0.00 0.00 0.00 0.00 46.02 45.79 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 1.14 -0.01 0.00 1.61 9.65 -1.22 -3.31 114.38 122.24 1dt7 h ARG 20 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1dt7 h ARG 20 Cb 0.26 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.84 1dt7 h ARG 20 CO 0.00 -0.01 -0.59 0.39 2.80 0.00 0.00 179.97 182.56 1dt7 n GLU 21 N -5.10 3.50 0.00 0.20 -0.58 -1.26 -5.00 120.64 112.40 1dt7 n GLU 21 Ca -0.07 -0.02 0.00 0.00 -0.42 0.00 0.00 57.16 56.65 1dt7 n GLU 21 Cb 0.04 -0.94 0.00 0.00 -0.57 0.00 0.00 31.44 29.96 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 1.37 1.91 2.67 0.62 0.00 -1.25 -5.00 105.19 105.52 1dt7 n GLY 22 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 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 4.96 -0.26 1.61 8.00 -1.21 -4.55 116.55 125.10 1dt7 n ASP 23 Ca 0.00 -2.46 -0.00 0.00 0.71 0.00 0.00 54.79 53.03 1dt7 n ASP 23 Cb 0.00 -1.21 0.21 0.00 -0.02 0.00 0.00 41.12 40.10 1dt7 n ASP 23 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1dt7 h LYS 24 N 6.41 1.08 0.00 -1.24 3.64 -1.87 -2.24 116.57 122.34 1dt7 h LYS 24 Ca 0.54 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.82 1dt7 h LYS 24 Cb 0.31 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 1dt7 h LYS 24 CO 1.63 0.72 -0.17 0.45 -2.27 0.00 0.00 179.45 179.81 1dt7 h HIS 25 N 1.11 0.00 -3.69 1.91 3.86 -1.86 -3.46 115.15 113.02 1dt7 h HIS 25 Ca 0.30 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.43 1dt7 h HIS 25 Cb -0.12 0.00 -0.14 0.00 1.06 0.00 0.00 27.41 28.21 1dt7 h HIS 25 CO 0.00 0.17 -0.30 -1.59 0.86 0.00 0.00 177.93 177.07 1dt7 s LYS 26 N -3.31 0.89 -0.10 2.45 -2.85 -0.84 -4.25 119.74 111.73 1dt7 s LYS 26 Ca 0.04 -0.88 -0.02 0.00 -1.00 0.00 0.00 55.97 54.11 1dt7 s LYS 26 Cb 0.07 0.37 -0.03 0.00 -2.06 0.00 0.00 37.83 36.18 1dt7 s LYS 26 CO 0.66 -0.30 -0.02 -0.51 0.10 0.00 0.00 175.35 175.29 1dt7 s LEU 27 N -2.80 3.45 0.18 2.77 1.43 -0.78 -4.53 118.68 118.40 1dt7 s LEU 27 Ca 0.04 0.06 -0.00 0.00 -1.03 0.00 0.00 54.13 53.19 1dt7 s LEU 27 Cb 0.04 -1.79 -0.04 0.00 0.03 0.00 0.00 46.19 44.42 1dt7 s LEU 27 CO -0.11 0.32 0.36 -0.54 0.23 0.00 0.00 176.35 176.61 1dt7 s LYS 28 N -0.56 3.50 0.62 1.70 1.02 -1.26 -0.80 119.74 123.97 1dt7 s LYS 28 Ca 0.09 -0.39 0.26 0.00 0.02 0.00 0.00 55.97 55.95 1dt7 s LYS 28 Cb -0.12 -2.88 1.28 0.00 -0.52 0.00 0.00 37.83 35.59 1dt7 s LYS 28 CO 0.02 0.44 1.71 1.57 -0.92 0.00 0.00 175.35 178.18 1dt7 h LYS 29 N 2.14 0.00 0.01 1.68 2.10 -1.90 0.66 116.57 121.26 1dt7 h LYS 29 Ca -0.48 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.10 1dt7 h LYS 29 Cb 1.19 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.52 1dt7 h LYS 29 CO 0.69 0.00 -0.30 0.66 -2.00 0.00 0.00 179.45 178.50 1dt7 h SER 30 N 0.00 0.25 -0.07 7.07 4.64 -1.91 -2.49 113.55 121.04 1dt7 h SER 30 Ca 0.16 -0.80 -0.12 0.00 -0.47 0.00 0.00 61.79 60.56 1dt7 h SER 30 Cb 1.37 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 63.37 1dt7 h SER 30 CO -0.00 1.02 -0.35 -0.33 -0.87 0.00 0.00 176.83 176.30 1dt7 h GLU 31 N -0.49 0.56 -0.98 4.77 5.08 -0.28 -2.65 114.58 120.59 1dt7 h GLU 31 Ca -0.04 -0.26 0.01 0.00 -1.00 0.00 0.00 59.36 58.07 1dt7 h GLU 31 Cb 1.07 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.26 1dt7 h GLU 31 CO 0.06 0.83 0.65 1.25 -1.00 0.00 0.00 179.01 180.80 1dt7 h LEU 32 N 0.47 1.13 -0.99 1.33 5.85 -0.32 -1.63 115.31 121.15 1dt7 h LEU 32 Ca 0.05 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.75 1dt7 h LEU 32 Cb 0.83 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 41.53 1dt7 h LEU 32 CO 0.07 0.82 0.65 0.50 -0.34 0.00 0.00 178.44 180.14 1dt7 h LYS 33 N 1.33 1.31 -0.95 1.25 3.64 -1.08 -1.92 116.57 120.16 1dt7 h LYS 33 Ca 0.36 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.65 1dt7 h LYS 33 Cb -0.16 -0.29 -0.05 0.00 -0.41 0.00 0.00 32.23 31.33 1dt7 h LYS 33 CO -0.08 0.88 0.57 0.93 -2.27 0.00 0.00 179.45 179.48 1dt7 h GLU 34 N 1.35 1.29 0.01 1.90 4.39 -1.16 0.53 114.58 122.88 1dt7 h GLU 34 Ca 0.36 -0.12 -0.00 0.00 0.34 0.00 0.00 59.36 59.94 1dt7 h GLU 34 Cb -0.14 -0.27 0.00 0.00 -0.10 0.00 0.00 28.75 28.24 1dt7 h GLU 34 CO -0.08 0.91 -0.00 1.25 -1.16 0.00 0.00 179.01 179.92 1dt7 h LEU 35 N 1.31 -0.01 -0.19 1.33 6.46 -0.98 -0.42 115.31 122.81 1dt7 h LEU 35 Ca 0.34 -0.16 -0.06 0.00 -0.12 0.00 0.00 57.88 57.88 1dt7 h LEU 35 Cb -0.05 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 39.88 1dt7 h LEU 35 CO -0.06 0.16 -0.10 0.40 -0.62 0.00 0.00 178.44 178.21 1dt7 h ILE 36 N -0.17 1.31 -0.30 4.05 2.04 -0.92 0.51 117.51 124.03 1dt7 h ILE 36 Ca -0.00 -1.17 -0.19 0.00 1.00 0.00 0.00 64.86 64.50 1dt7 h ILE 36 Cb 0.17 1.67 0.00 0.00 -0.74 0.00 0.00 36.82 37.93 1dt7 h ILE 36 CO 0.00 0.35 -0.54 0.78 0.00 0.00 0.00 178.15 178.75 1dt7 h ASN 37 N 0.09 0.99 0.00 1.72 -0.26 0.02 -3.22 115.58 114.92 1dt7 h ASN 37 Ca 0.04 -0.53 -0.37 0.00 -0.56 0.00 0.00 56.30 54.88 1dt7 h ASN 37 Cb 0.59 -0.28 -0.07 0.00 -1.06 0.00 0.00 38.32 37.50 1dt7 h ASN 37 CO 0.03 1.33 -2.40 0.59 -1.06 0.00 0.00 177.43 175.93 1dt7 n ASN 38 N -4.01 0.64 0.13 5.81 5.03 -0.17 -4.38 115.26 118.31 1dt7 n ASN 38 Ca -0.04 -0.04 0.13 0.00 0.87 0.00 0.00 54.58 55.50 1dt7 n ASN 38 Cb 0.63 0.58 0.36 0.00 -1.02 0.00 0.00 39.78 40.33 1dt7 n ASN 38 CO 0.00 0.00 0.00 -0.08 -1.83 0.00 0.00 177.26 175.35 1dt7 h GLU 39 N 0.00 0.00 -2.29 3.52 4.81 0.05 -3.30 114.58 117.37 1dt7 h GLU 39 Ca -0.55 0.00 -0.63 0.00 -0.13 0.00 0.00 59.36 58.05 1dt7 h GLU 39 Cb 2.13 0.00 -0.39 0.00 0.63 0.00 0.00 28.75 31.12 1dt7 h GLU 39 CO -0.01 0.00 -0.32 1.28 -0.73 0.00 0.00 179.01 179.23 1dt7 n LEU 40 N -2.42 4.97 0.00 1.64 4.77 -1.19 -4.91 117.00 119.86 1dt7 n LEU 40 Ca 0.05 -5.61 -0.12 0.00 -0.03 0.00 0.00 56.01 50.30 1dt7 n LEU 40 Cb 0.45 -0.69 -0.06 0.00 -2.33 0.00 0.00 43.42 40.79 1dt7 n LEU 40 CO 0.31 2.27 0.58 0.77 -1.33 0.00 0.00 177.39 179.99 1dt7 h SER 41 N 3.34 -1.32 0.00 -1.43 4.64 -1.76 -3.38 113.55 113.64 1dt7 h SER 41 Ca 0.21 0.17 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 1dt7 h SER 41 Cb 0.49 0.54 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 1dt7 h SER 41 CO 0.89 -0.43 0.00 0.00 -0.87 0.00 0.00 176.83 176.43 1dt7 n HIS 42 N -5.44 0.00 -0.03 4.77 -0.00 -1.26 -4.77 115.22 108.49 1dt7 n HIS 42 Ca -0.04 -0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 57.59 1dt7 n HIS 42 Cb 0.36 -0.00 0.06 0.00 -0.00 0.00 0.00 29.99 30.41 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 0.78 -3.74 -1.40 3.57 -1.91 -3.45 116.94 110.78 1dt7 h PHE 43 Ca 0.00 -0.24 -0.25 0.00 3.53 0.00 0.00 57.97 61.01 1dt7 h PHE 43 Cb 0.53 -0.16 -0.15 0.00 2.79 0.00 0.00 35.95 38.96 1dt7 h PHE 43 CO 0.00 0.97 -0.69 -1.17 -2.23 0.00 0.00 178.31 175.19 1dt7 s LEU 44 N -8.55 2.44 -0.14 0.59 2.96 -1.26 -5.08 118.68 109.64 1dt7 s LEU 44 Ca -0.08 -1.04 -0.29 0.00 -0.22 0.00 0.00 54.13 52.51 1dt7 s LEU 44 Cb 0.12 -0.11 -0.06 0.00 0.50 0.00 0.00 46.19 46.63 1dt7 s LEU 44 CO 0.84 -0.46 2.15 -0.70 -1.32 0.00 0.00 176.35 176.86 1dt7 s GLU 45 N -3.83 3.41 1.00 1.98 2.56 -1.26 -4.79 118.70 117.77 1dt7 s GLU 45 Ca 0.15 2.20 -0.12 0.00 0.00 0.00 0.00 54.97 57.20 1dt7 s GLU 45 Cb 0.05 -4.32 0.19 0.00 2.00 0.00 0.00 34.13 32.05 1dt7 s GLU 45 CO -0.02 -1.78 1.08 -1.21 -0.56 0.00 0.00 175.26 172.76 1dt7 s GLU 46 N 5.82 0.39 -0.17 4.30 2.02 -1.26 -5.02 118.70 124.78 1dt7 s GLU 46 Ca 0.97 0.78 -0.05 0.00 0.02 0.00 0.00 54.97 56.69 1dt7 s GLU 46 Cb -0.36 -1.71 -0.03 0.00 0.10 0.00 0.00 34.13 32.13 1dt7 s GLU 46 CO 0.37 -2.83 0.01 0.42 0.02 0.00 0.00 175.26 173.25 1dt7 s ILE 47 N -2.80 4.32 -0.05 -1.63 1.01 -1.26 -4.98 121.20 115.80 1dt7 s ILE 47 Ca 0.66 -0.20 0.17 0.00 0.00 0.00 0.00 60.65 61.27 1dt7 s ILE 47 Cb -0.20 -2.92 -0.25 0.00 0.01 0.00 0.00 42.46 39.09 1dt7 s ILE 47 CO 0.59 0.48 0.31 0.29 0.00 0.00 0.00 174.94 176.61 1dt7 n LYS 48 N 3.54 0.72 -5.16 2.79 4.76 -1.26 -4.78 118.16 118.76 1dt7 n LYS 48 Ca -0.17 -0.12 -0.32 0.00 -2.87 0.00 0.00 58.31 54.83 1dt7 n LYS 48 Cb 0.52 -1.41 -0.15 0.00 -1.84 0.00 0.00 35.03 32.15 1dt7 n LYS 48 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1dt7 s GLU 49 N -3.02 2.25 0.59 1.97 2.02 -1.26 -4.99 118.70 116.26 1dt7 s GLU 49 Ca -0.07 -0.85 0.38 0.00 0.02 0.00 0.00 54.97 54.45 1dt7 s GLU 49 Cb 0.10 -2.16 1.74 0.00 0.10 0.00 0.00 34.13 33.90 1dt7 s GLU 49 CO 0.70 0.58 2.12 -0.56 0.02 0.00 0.00 175.26 178.12 1dt7 h GLN 50 N 5.44 0.00 -0.98 1.61 -0.00 -2.01 -2.74 115.11 116.43 1dt7 h GLN 50 Ca -0.44 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.21 1dt7 h GLN 50 Cb 1.13 0.00 -0.05 0.00 -0.00 0.00 0.00 27.48 28.56 1dt7 h GLN 50 CO 0.48 0.00 0.62 1.05 -0.00 0.00 0.00 178.83 180.98 1dt7 h GLU 51 N 0.00 1.30 -0.93 0.06 -0.00 -2.00 -1.17 114.58 111.85 1dt7 h GLU 51 Ca 0.00 -0.10 0.01 0.00 -0.00 0.00 0.00 59.36 59.27 1dt7 h GLU 51 Cb 0.33 -0.29 -0.05 0.00 -0.00 0.00 0.00 28.75 28.75 1dt7 h GLU 51 CO 0.00 0.88 0.61 0.28 -0.00 0.00 0.00 179.01 180.79 1dt7 h VAL 52 N 1.34 1.24 -0.58 -1.06 2.07 -1.92 -0.48 116.25 116.86 1dt7 h VAL 52 Ca 0.35 -0.44 -0.05 0.00 0.82 0.00 0.00 66.70 67.38 1dt7 h VAL 52 Cb -0.11 -0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 29.51 1dt7 h VAL 52 CO -0.07 0.23 0.16 0.58 0.02 0.00 0.00 177.57 178.49 1dt7 h VAL 53 N 1.26 1.23 -0.87 2.57 2.07 -1.37 -1.72 116.25 119.42 1dt7 h VAL 53 Ca 0.34 -0.81 -0.02 0.00 0.82 0.00 0.00 66.70 67.03 1dt7 h VAL 53 Cb -0.14 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 30.21 1dt7 h VAL 53 CO -0.07 0.31 0.47 -0.78 0.02 0.00 0.00 177.57 177.52 1dt7 h ASP 54 N 0.85 1.10 -0.52 0.57 1.82 -0.14 0.15 116.42 120.25 1dt7 h ASP 54 Ca 0.19 -0.10 -0.13 0.00 -0.39 0.00 0.00 57.03 56.60 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 -0.00 0.88 -0.17 0.50 -1.61 0.00 0.00 179.24 178.84 1dt7 h LYS 55 N 1.23 1.03 0.00 0.28 3.64 -0.90 -2.11 116.57 119.73 1dt7 h LYS 55 Ca 0.31 -0.41 -0.06 0.00 -1.27 0.00 0.00 60.65 59.21 1dt7 h LYS 55 Cb 0.04 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 1dt7 h LYS 55 CO -0.05 1.10 -0.30 0.28 -2.27 0.00 0.00 179.45 178.21 1dt7 h VAL 56 N 0.90 0.96 -0.59 2.00 2.07 -0.71 -2.45 116.25 118.42 1dt7 h VAL 56 Ca 0.13 -1.12 -0.10 0.00 0.82 0.00 0.00 66.70 66.43 1dt7 h VAL 56 Cb 0.74 1.65 -0.02 0.00 -1.52 0.00 0.00 31.29 32.14 1dt7 h VAL 56 CO 0.06 0.29 -0.02 0.24 0.02 0.00 0.00 177.57 178.16 1dt7 h MET 57 N 0.00 1.06 -1.00 1.57 2.86 -0.04 0.27 114.93 119.65 1dt7 h MET 57 Ca -0.00 -0.34 0.06 0.00 -2.06 0.00 0.00 59.70 57.36 1dt7 h MET 57 Cb 0.62 -0.09 -0.07 0.00 0.06 0.00 0.00 31.60 32.13 1dt7 h MET 57 CO 0.04 1.04 0.65 1.49 1.06 0.00 0.00 176.91 181.19 1dt7 h GLU 58 N 0.96 1.15 0.03 1.72 4.81 -1.09 3.05 114.58 125.22 1dt7 h GLU 58 Ca 0.17 -0.07 -0.14 0.00 -0.13 0.00 0.00 59.36 59.19 1dt7 h GLU 58 Cb 0.58 -0.26 0.01 0.00 0.63 0.00 0.00 28.75 29.72 1dt7 h GLU 58 CO 0.03 0.76 -0.56 1.15 -0.73 0.00 0.00 179.01 179.66 1dt7 h THR 59 N 1.18 1.48 0.00 0.32 2.02 -1.40 -3.34 112.91 113.17 1dt7 h THR 59 Ca 0.43 -2.17 0.00 0.00 0.77 0.00 0.00 66.41 65.44 1dt7 h THR 59 Cb 0.16 2.80 0.00 0.00 -1.74 0.00 0.00 68.15 69.37 1dt7 h THR 59 CO -0.17 0.62 -0.82 0.18 0.37 0.00 0.00 175.52 175.70 1dt7 n LEU 60 N -4.27 0.71 -3.48 2.58 4.77 0.91 -4.30 117.00 113.93 1dt7 n LEU 60 Ca -0.11 0.20 -0.40 0.00 -0.03 0.00 0.00 56.01 55.66 1dt7 n LEU 60 Cb 0.67 -0.13 -0.02 0.00 -2.33 0.00 0.00 43.42 41.61 1dt7 n LEU 60 CO 0.45 -0.06 3.01 -0.67 -1.33 0.00 0.00 177.39 178.79 1dt7 n ASP 61 N -2.21 7.16 -0.38 -1.43 -0.08 1.02 -4.61 116.55 116.02 1dt7 n ASP 61 Ca 0.02 -2.75 -0.02 0.00 -1.51 0.00 0.00 54.79 50.54 1dt7 n ASP 61 Cb 0.47 -1.56 0.11 0.00 2.34 0.00 0.00 41.12 42.48 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 5.26 1.33 -0.00 -0.67 5.08 -1.79 -0.18 114.58 123.60 1dt7 h GLU 62 Ca 0.75 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 59.02 1dt7 h GLU 62 Cb 0.40 -0.30 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1dt7 h GLU 62 CO 1.77 0.88 -0.07 -0.40 -1.00 0.00 0.00 179.01 180.19 1dt7 n ASP 63 N -4.38 0.17 -2.87 1.42 5.75 -1.26 -4.91 116.55 110.47 1dt7 n ASP 63 Ca 0.12 -0.14 -0.20 0.00 -0.01 0.00 0.00 54.79 54.56 1dt7 n ASP 63 Cb 0.01 -0.23 0.05 0.00 -1.03 0.00 0.00 41.12 39.92 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 1.34 -0.33 0.75 6.12 0.00 -0.08 -4.89 105.19 108.11 1dt7 n GLY 64 Ca 0.12 0.06 0.08 0.00 0.00 0.00 0.00 46.02 46.28 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 -2.11 2.70 0.00 1.61 5.75 -1.26 -4.93 116.55 118.31 1dt7 n ASP 65 Ca -0.04 -1.79 0.00 0.00 -0.01 0.00 0.00 54.79 52.95 1dt7 n ASP 65 Cb 0.58 -0.11 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 0.95 0.70 2.84 6.12 0.00 -1.26 -4.99 105.19 109.54 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 -0.00 -0.01 -0.21 1.61 2.02 -1.26 -2.78 118.70 118.07 1dt7 s GLU 67 Ca 0.00 0.07 -0.09 0.00 0.02 0.00 0.00 54.97 54.97 1dt7 s GLU 67 Cb 0.00 -0.09 -0.05 0.00 0.10 0.00 0.00 34.13 34.10 1dt7 s GLU 67 CO 0.00 -0.06 0.11 0.00 0.02 0.00 0.00 175.26 175.33 1dt7 s ASP 69 N 0.61 4.26 0.43 0.00 1.01 -1.26 -1.86 116.67 119.85 1dt7 s ASP 69 Ca 0.06 1.74 0.18 0.00 0.71 0.00 0.00 52.55 55.25 1dt7 s ASP 69 Cb -0.12 -2.44 1.11 0.00 1.01 0.00 0.00 42.92 42.48 1dt7 s ASP 69 CO 0.01 -2.18 1.87 2.19 0.21 0.00 0.00 175.17 177.27 1dt7 h PHE 70 N -1.23 0.48 -0.28 4.23 -0.00 -1.93 0.28 116.94 118.48 1dt7 h PHE 70 Ca -0.45 0.01 -0.15 0.00 -0.00 0.00 0.00 57.97 57.38 1dt7 h PHE 70 Cb 1.24 -0.15 -0.01 0.00 -0.00 0.00 0.00 35.95 37.04 1dt7 h PHE 70 CO 0.54 0.14 -0.43 -0.56 -0.00 0.00 0.00 178.31 177.99 1dt7 h GLN 71 N 0.37 0.71 -0.40 6.09 3.07 -1.93 -0.10 115.11 122.92 1dt7 h GLN 71 Ca 0.45 -0.39 -0.07 0.00 0.09 0.00 0.00 58.65 58.73 1dt7 h GLN 71 Cb 1.15 0.02 -0.01 0.00 0.08 0.00 0.00 27.48 28.71 1dt7 h GLN 71 CO -0.15 1.00 -0.01 0.93 0.09 0.00 0.00 178.83 180.69 1dt7 h GLU 72 N 0.57 0.71 0.00 0.06 5.08 -0.82 -2.04 114.58 118.15 1dt7 h GLU 72 Ca 0.04 -0.23 -0.05 0.00 -1.00 0.00 0.00 59.36 58.12 1dt7 h GLU 72 Cb 0.98 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.16 1dt7 h GLU 72 CO 0.09 0.81 -0.23 0.35 -1.00 0.00 0.00 179.01 179.03 1dt7 h PHE 73 N 0.54 0.00 -0.92 4.33 3.57 -1.19 -2.60 116.94 120.67 1dt7 h PHE 73 Ca 0.11 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.62 1dt7 h PHE 73 Cb 0.50 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.19 1dt7 h PHE 73 CO 0.04 0.23 0.61 1.98 -2.23 0.00 0.00 178.31 178.94 1dt7 h MET 74 N 0.00 1.21 -0.23 1.11 4.05 -0.27 -1.61 114.93 119.18 1dt7 h MET 74 Ca -0.00 -0.07 -0.12 0.00 -0.28 0.00 0.00 59.70 59.22 1dt7 h MET 74 Cb 0.68 -0.27 -0.01 0.00 -0.80 0.00 0.00 31.60 31.20 1dt7 h MET 74 CO 0.03 0.80 -0.37 0.00 0.23 0.00 0.00 176.91 177.60 1dt7 h ALA 75 N 1.43 0.93 -0.93 0.39 0.00 -1.24 -3.02 119.26 116.82 1dt7 h ALA 75 Ca 0.34 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1dt7 h ALA 75 Cb -0.14 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.49 1dt7 h ALA 75 CO -0.07 0.62 0.53 0.35 0.00 0.00 0.00 179.25 180.68 1dt7 h PHE 76 N 0.42 1.25 -0.77 0.00 3.57 -1.29 -2.48 116.94 117.64 1dt7 h PHE 76 Ca 0.04 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.51 1dt7 h PHE 76 Cb 0.84 -0.40 -0.04 0.00 2.79 0.00 0.00 35.95 39.14 1dt7 h PHE 76 CO 0.03 0.85 0.42 0.28 -2.23 0.00 0.00 178.31 177.65 1dt7 h VAL 77 N 1.29 1.23 -0.75 1.41 2.07 -1.35 -1.95 116.25 118.19 1dt7 h VAL 77 Ca 0.33 -0.57 -0.06 0.00 0.82 0.00 0.00 66.70 67.22 1dt7 h VAL 77 Cb -0.01 0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 29.91 1dt7 h VAL 77 CO -0.06 0.26 0.24 0.77 0.02 0.00 0.00 177.57 178.80 1dt7 h SER 78 N 1.08 1.10 -0.44 0.57 4.64 -1.44 -2.23 113.55 116.84 1dt7 h SER 78 Ca 0.27 -0.21 -0.14 0.00 -0.47 0.00 0.00 61.79 61.24 1dt7 h SER 78 Cb 0.03 -0.29 -0.01 0.00 -0.31 0.00 0.00 62.40 61.82 1dt7 h SER 78 CO -0.04 1.01 -0.28 0.24 -0.87 0.00 0.00 176.83 176.89 1dt7 h MET 79 N 1.12 0.96 -0.52 4.77 2.07 -1.28 -2.80 114.93 119.25 1dt7 h MET 79 Ca 0.24 -0.45 -0.11 0.00 -2.07 0.00 0.00 59.70 57.32 1dt7 h MET 79 Cb 0.31 -0.01 -0.02 0.00 -1.87 0.00 0.00 31.60 30.01 1dt7 h MET 79 CO -0.01 1.11 -0.10 0.28 1.07 0.00 0.00 176.91 179.27 1dt7 h VAL 80 N 0.79 1.26 -0.99 -2.22 2.07 -1.23 -2.66 116.25 113.28 1dt7 h VAL 80 Ca 0.09 -1.23 0.01 0.00 0.82 0.00 0.00 66.70 66.39 1dt7 h VAL 80 Cb 0.86 0.97 -0.05 0.00 -1.52 0.00 0.00 31.29 31.55 1dt7 h VAL 80 CO 0.08 0.43 0.65 0.74 0.02 0.00 0.00 177.57 179.48 1dt7 h THR 81 N 0.86 1.26 -0.96 2.57 2.02 -1.35 -0.44 112.91 116.87 1dt7 h THR 81 Ca 0.14 -0.48 0.20 0.00 0.77 0.00 0.00 66.41 67.03 1dt7 h THR 81 Cb 0.64 -0.19 -0.09 0.00 -1.74 0.00 0.00 68.15 66.77 1dt7 h THR 81 CO 0.04 0.25 0.61 0.74 0.37 0.00 0.00 175.52 177.54 1dt7 h THR 82 N 1.35 0.70 -0.51 3.16 2.02 -1.20 0.89 112.91 119.31 1dt7 h THR 82 Ca 0.36 -0.21 -0.06 0.00 0.77 0.00 0.00 66.41 67.27 1dt7 h THR 82 Cb -0.14 0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 66.29 1dt7 h THR 82 CO -0.08 0.11 0.07 0.00 0.37 0.00 0.00 175.52 175.99 1dt7 h ALA 83 N 1.62 1.16 -0.86 6.16 0.00 -1.06 -2.44 119.26 123.84 1dt7 h ALA 83 Ca 0.53 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 55.21 1dt7 h ALA 83 Cb 1.03 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.57 1dt7 h ALA 83 CO -0.28 0.55 0.57 0.00 0.00 0.00 0.00 179.25 180.09 1dt7 h HIS 85 N 1.17 1.27 -0.69 0.00 6.17 -0.90 2.05 115.15 124.22 1dt7 h HIS 85 Ca 0.31 0.03 -0.00 0.00 0.71 0.00 0.00 60.37 61.42 1dt7 h HIS 85 Cb -0.13 -0.43 -0.03 0.00 2.52 0.00 0.00 27.41 29.34 1dt7 h HIS 85 CO 0.00 0.80 0.43 0.93 0.71 0.00 0.00 177.93 180.79 1dt7 h GLU 86 N 1.37 0.93 0.00 5.26 4.39 -1.27 -2.25 114.58 123.00 1dt7 h GLU 86 Ca 0.37 -0.07 -0.12 0.00 0.34 0.00 0.00 59.36 59.88 1dt7 h GLU 86 Cb -0.16 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 28.27 1dt7 h GLU 86 CO -0.08 0.64 -1.21 0.35 -1.16 0.00 0.00 179.01 177.55 1dt7 h PHE 87 N 0.95 0.00 -1.28 4.33 3.04 -0.84 -3.37 116.94 119.76 1dt7 h PHE 87 Ca 0.25 0.00 -0.75 0.00 3.98 0.00 0.00 57.97 61.45 1dt7 h PHE 87 Cb -0.05 0.00 -0.14 0.00 2.56 0.00 0.00 35.95 38.32 1dt7 h PHE 87 CO 0.00 0.43 2.24 0.34 -2.02 0.00 0.00 178.31 179.30 1dt7 n PHE 88 N -2.87 2.70 -2.68 0.41 -0.00 0.68 -4.92 117.46 110.78 1dt7 n PHE 88 Ca -0.06 -2.80 -0.42 0.00 -0.00 0.00 0.00 57.45 54.17 1dt7 n PHE 88 Cb 0.76 -1.86 -0.03 0.00 -0.00 0.00 0.00 39.48 38.34 1dt7 n PHE 88 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.76 175.55 1dt7 s GLU 89 N -0.63 3.17 0.19 -4.13 2.02 -1.25 -4.82 118.70 113.26 1dt7 s GLU 89 Ca 0.48 -0.53 0.21 0.00 0.02 0.00 0.00 54.97 55.16 1dt7 s GLU 89 Cb 0.15 -4.24 0.89 0.00 0.10 0.00 0.00 34.13 31.03 1dt7 s GLU 89 CO -0.05 -2.01 1.65 -2.39 0.02 0.00 0.00 175.26 172.48 1dt7 n HIS 90 N 8.65 0.61 0.00 1.61 1.44 -1.26 -5.19 115.22 121.08 1dt7 n HIS 90 Ca 0.01 0.24 0.00 0.00 -2.01 0.00 0.00 57.72 55.96 1dt7 n HIS 90 Cb 0.48 -0.89 0.00 0.00 0.12 0.00 0.00 29.99 29.70 1dt7 n HIS 90 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92