#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 -4.56 0.00 7.83 7.64 -1.26 -4.72 113.62 118.55 1dt7 n SER 1 Ca 0.00 0.24 0.11 0.00 1.01 0.00 0.00 58.87 60.23 1dt7 n SER 1 Cb 0.00 -3.52 0.60 0.00 -1.01 0.00 0.00 64.21 60.28 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 -0.88 0.52 0.18 1.43 1.02 -1.26 -3.63 120.64 118.02 1dt7 n GLU 2 Ca -0.10 0.04 0.15 0.00 -0.02 0.00 0.00 57.16 57.23 1dt7 n GLU 2 Cb 0.49 -1.50 0.52 0.00 -0.02 0.00 0.00 31.44 30.92 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 0.00 0.00 -0.56 -4.62 5.85 -2.00 1.35 115.31 115.33 1dt7 h LEU 3 Ca 0.00 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.57 1dt7 h LEU 3 Cb 0.09 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 1dt7 h LEU 3 CO 0.00 0.00 -0.46 1.05 -0.34 0.00 0.00 178.44 178.69 1dt7 h GLU 4 N 0.00 0.63 -0.38 1.25 4.11 -1.97 -2.21 114.58 116.01 1dt7 h GLU 4 Ca 0.14 -0.35 -0.16 0.00 0.07 0.00 0.00 59.36 59.05 1dt7 h GLU 4 Cb 1.54 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.80 1dt7 h GLU 4 CO -0.00 0.96 -0.39 -0.22 0.07 0.00 0.00 179.01 179.42 1dt7 h LYS 5 N 0.50 0.94 -0.46 1.06 3.64 0.15 -2.84 116.57 119.56 1dt7 h LYS 5 Ca 0.03 -0.50 -0.14 0.00 -1.27 0.00 0.00 60.65 58.77 1dt7 h LYS 5 Cb 1.00 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.83 1dt7 h LYS 5 CO 0.09 1.16 -0.27 0.00 -2.27 0.00 0.00 179.45 178.16 1dt7 h ALA 6 N 0.78 0.65 -0.67 5.00 0.00 -1.35 -2.01 119.26 121.66 1dt7 h ALA 6 Ca 0.06 -0.41 -0.08 0.00 0.00 0.00 0.00 54.91 54.47 1dt7 h ALA 6 Cb 0.99 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 1dt7 h ALA 6 CO 0.10 0.68 0.09 0.52 0.00 0.00 0.00 179.25 180.64 1dt7 h MET 7 N 0.84 1.12 -0.53 0.00 2.86 -1.41 -2.09 114.93 115.72 1dt7 h MET 7 Ca 0.10 -0.31 -0.10 0.00 -2.06 0.00 0.00 59.70 57.33 1dt7 h MET 7 Cb 0.86 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 32.37 1dt7 h MET 7 CO 0.08 1.03 -0.07 0.28 1.06 0.00 0.00 176.91 179.29 1dt7 h VAL 8 N 1.04 1.26 -0.48 -2.22 2.07 -1.43 -3.05 116.25 113.45 1dt7 h VAL 8 Ca 0.20 -1.19 -0.10 0.00 0.82 0.00 0.00 66.70 66.43 1dt7 h VAL 8 Cb 0.46 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 1dt7 h VAL 8 CO 0.02 0.42 -0.10 0.00 0.02 0.00 0.00 177.57 177.93 1dt7 h ALA 9 N 1.05 0.92 -1.01 1.67 0.00 -1.06 -2.21 119.26 118.64 1dt7 h ALA 9 Ca 0.14 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 54.74 1dt7 h ALA 9 Cb 0.60 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 1dt7 h ALA 9 CO 0.04 0.63 0.67 -0.07 0.00 0.00 0.00 179.25 180.51 1dt7 h LEU 10 N 0.79 1.15 -0.43 0.00 4.07 -1.28 -2.11 115.31 117.51 1dt7 h LEU 10 Ca 0.13 -0.03 -0.16 0.00 0.08 0.00 0.00 57.88 57.90 1dt7 h LEU 10 Cb 0.61 -0.29 -0.01 0.00 1.08 0.00 0.00 40.66 42.06 1dt7 h LEU 10 CO 0.04 0.83 -0.42 0.40 -1.08 0.00 0.00 178.44 178.21 1dt7 h ILE 11 N 1.36 1.28 -0.53 1.22 2.04 -1.47 -2.29 117.51 119.12 1dt7 h ILE 11 Ca 0.37 -1.60 0.00 0.00 1.00 0.00 0.00 64.86 64.63 1dt7 h ILE 11 Cb -0.15 1.46 -0.03 0.00 -0.74 0.00 0.00 36.82 37.36 1dt7 h ILE 11 CO -0.08 0.53 0.33 0.44 0.00 0.00 0.00 178.15 179.37 1dt7 h ASP 12 N 0.69 0.63 0.14 1.72 3.32 -0.77 -2.50 116.42 119.66 1dt7 h ASP 12 Ca 0.05 -0.04 -0.16 0.00 0.02 0.00 0.00 57.03 56.90 1dt7 h ASP 12 Cb 1.00 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.39 1dt7 h ASP 12 CO 0.10 0.48 -0.57 1.62 -1.72 0.00 0.00 179.24 179.15 1dt7 h VAL 13 N 0.72 1.34 -1.00 -1.35 3.04 -1.46 -2.97 116.25 114.57 1dt7 h VAL 13 Ca 0.19 -1.85 0.05 0.00 -1.01 0.00 0.00 66.70 64.07 1dt7 h VAL 13 Cb -0.04 1.85 -0.06 0.00 -2.01 0.00 0.00 31.29 31.03 1dt7 h VAL 13 CO -0.04 0.57 0.65 0.15 -1.01 0.00 0.00 177.57 177.89 1dt7 h PHE 14 N 0.34 1.22 0.00 3.17 3.57 -1.06 0.23 116.94 124.40 1dt7 h PHE 14 Ca 0.00 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.52 1dt7 h PHE 14 Cb 1.10 -0.40 -0.00 0.00 2.79 0.00 0.00 35.95 39.43 1dt7 h PHE 14 CO 0.04 0.68 -0.08 0.45 -2.23 0.00 0.00 178.31 177.17 1dt7 h HIS 15 N 1.24 0.00 -0.54 0.41 3.86 -1.31 -2.14 115.15 116.67 1dt7 h HIS 15 Ca 0.41 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.62 1dt7 h HIS 15 Cb 0.05 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.49 1dt7 h HIS 15 CO -0.00 0.08 0.36 0.37 0.86 0.00 0.00 177.93 179.60 1dt7 h GLN 16 N 0.00 0.71 0.03 2.45 4.15 -0.40 -2.69 115.11 119.37 1dt7 h GLN 16 Ca -0.00 -0.04 -0.37 0.00 0.77 0.00 0.00 58.65 59.01 1dt7 h GLN 16 Cb 0.56 -0.16 -0.05 0.00 0.21 0.00 0.00 27.48 28.04 1dt7 h GLN 16 CO 0.01 0.47 -2.23 0.66 -1.93 0.00 0.00 178.83 175.81 1dt7 n TYR 17 N -4.71 0.48 -0.24 3.99 4.02 -1.17 -3.97 117.16 115.56 1dt7 n TYR 17 Ca 0.03 0.12 -0.05 0.00 -0.01 0.00 0.00 57.90 57.99 1dt7 n TYR 17 Cb 0.02 -1.07 0.05 0.00 -0.02 0.00 0.00 39.34 38.32 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 0.02 0.77 1.11 7.72 4.64 -1.46 -1.47 113.55 124.88 1dt7 h SER 18 Ca -0.49 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 1dt7 h SER 18 Cb 2.02 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 63.91 1dt7 h SER 18 CO 0.00 0.56 0.00 1.23 -0.87 0.00 0.00 176.83 177.75 1dt7 h GLY 19 N 0.91 0.00 1.00 -0.77 0.00 -1.69 -3.11 103.07 99.41 1dt7 h GLY 19 Ca 0.25 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.57 1dt7 h GLY 19 CO -0.05 0.00 0.37 -0.09 0.00 0.00 0.00 176.54 176.76 1dt7 h ARG 20 N 0.00 0.86 -6.32 4.80 2.43 -1.39 -3.43 114.38 111.33 1dt7 h ARG 20 Ca 0.00 -0.09 -0.59 0.00 -0.81 0.00 0.00 59.98 58.49 1dt7 h ARG 20 Cb 0.55 -0.18 -0.12 0.00 -0.42 0.00 0.00 29.97 29.81 1dt7 h ARG 20 CO 0.00 0.63 -0.68 -2.00 -1.51 0.00 0.00 179.97 176.41 1dt7 s GLU 21 N -5.94 2.20 0.54 0.20 2.12 -1.18 -5.01 118.70 111.64 1dt7 s GLU 21 Ca -0.13 -1.33 0.31 0.00 0.36 0.00 0.00 54.97 54.18 1dt7 s GLU 21 Cb 0.13 -2.18 1.47 0.00 0.26 0.00 0.00 34.13 33.82 1dt7 s GLU 21 CO 0.77 0.40 1.89 0.78 -0.54 0.00 0.00 175.26 178.57 1dt7 h GLY 22 N 2.42 0.00 -5.11 -1.50 0.00 -1.84 -3.11 103.07 93.94 1dt7 h GLY 22 Ca -0.45 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 46.59 1dt7 h GLY 22 CO 0.58 0.00 1.75 1.22 0.00 0.00 0.00 176.54 180.08 1dt7 n ASP 23 N -4.20 4.27 -0.28 0.19 8.00 -1.26 -4.49 116.55 118.78 1dt7 n ASP 23 Ca 0.17 -2.23 -0.03 0.00 0.71 0.00 0.00 54.79 53.40 1dt7 n ASP 23 Cb 0.90 -1.00 0.12 0.00 -0.02 0.00 0.00 41.12 41.13 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 5.66 1.16 0.00 -1.24 3.64 -1.53 -2.41 116.57 121.85 1dt7 h LYS 24 Ca 0.37 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 1dt7 h LYS 24 Cb 0.39 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 1dt7 h LYS 24 CO 1.08 0.87 0.00 -2.39 -2.27 0.00 0.00 179.45 176.74 1dt7 n HIS 25 N -4.32 0.02 -3.86 1.91 1.44 -1.26 -4.75 115.22 104.39 1dt7 n HIS 25 Ca 0.08 0.01 -0.10 0.00 -2.01 0.00 0.00 57.72 55.70 1dt7 n HIS 25 Cb 0.12 -0.51 -0.08 0.00 0.12 0.00 0.00 29.99 29.64 1dt7 n HIS 25 CO 0.00 0.00 0.00 -1.59 -2.81 0.00 0.00 176.34 171.94 1dt7 s LYS 26 N -3.00 0.73 -0.25 -1.40 -2.85 -0.91 -4.20 119.74 107.86 1dt7 s LYS 26 Ca 0.13 -0.76 -0.06 0.00 -1.00 0.00 0.00 55.97 54.29 1dt7 s LYS 26 Cb 0.18 0.30 -0.01 0.00 -2.06 0.00 0.00 37.83 36.23 1dt7 s LYS 26 CO 0.50 -0.22 0.02 -0.51 0.10 0.00 0.00 175.35 175.24 1dt7 s LEU 27 N -2.36 3.28 0.25 2.77 2.01 -0.73 -4.67 118.68 119.23 1dt7 s LEU 27 Ca -0.02 -0.38 -0.10 0.00 0.01 0.00 0.00 54.13 53.64 1dt7 s LEU 27 Cb 0.01 -1.83 -0.07 0.00 0.01 0.00 0.00 46.19 44.31 1dt7 s LEU 27 CO -0.06 -0.06 0.58 -0.75 1.01 0.00 0.00 176.35 177.07 1dt7 s LYS 28 N 1.53 3.81 0.62 1.70 2.20 -1.26 -0.88 119.74 127.46 1dt7 s LYS 28 Ca 0.05 0.31 0.21 0.00 -0.36 0.00 0.00 55.97 56.18 1dt7 s LYS 28 Cb -0.15 -2.61 0.87 0.00 -1.51 0.00 0.00 37.83 34.43 1dt7 s LYS 28 CO 0.00 0.27 1.40 1.57 -0.36 0.00 0.00 175.35 178.24 1dt7 h LYS 29 N 2.37 0.00 -0.00 4.03 2.10 -1.91 1.33 116.57 124.49 1dt7 h LYS 29 Ca -0.47 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.13 1dt7 h LYS 29 Cb 1.17 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.51 1dt7 h LYS 29 CO 0.68 0.00 -0.18 1.03 -2.00 0.00 0.00 179.45 178.98 1dt7 h SER 30 N 0.00 0.17 -0.42 7.07 0.87 -1.90 -2.42 113.55 116.92 1dt7 h SER 30 Ca 0.27 -0.77 -0.09 0.00 -1.23 0.00 0.00 61.79 59.97 1dt7 h SER 30 Cb 2.15 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 64.04 1dt7 h SER 30 CO -0.00 0.91 -0.06 -0.33 -0.53 0.00 0.00 176.83 176.82 1dt7 h GLU 31 N -0.56 0.85 -0.98 2.24 5.08 0.12 -2.72 114.58 118.61 1dt7 h GLU 31 Ca -0.02 -0.27 0.01 0.00 -1.00 0.00 0.00 59.36 58.08 1dt7 h GLU 31 Cb 0.94 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 30.06 1dt7 h GLU 31 CO 0.04 0.89 0.65 1.25 -1.00 0.00 0.00 179.01 180.83 1dt7 h LEU 32 N 0.78 1.12 -1.01 1.33 5.85 -0.62 -2.05 115.31 120.71 1dt7 h LEU 32 Ca 0.14 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.84 1dt7 h LEU 32 Cb 0.55 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 41.25 1dt7 h LEU 32 CO 0.03 0.81 0.67 0.50 -0.34 0.00 0.00 178.44 180.11 1dt7 h LYS 33 N 1.32 1.33 -0.27 1.25 3.64 -1.11 -2.10 116.57 120.64 1dt7 h LYS 33 Ca 0.36 -0.08 -0.14 0.00 -1.27 0.00 0.00 60.65 59.52 1dt7 h LYS 33 Cb -0.15 -0.30 -0.01 0.00 -0.41 0.00 0.00 32.23 31.36 1dt7 h LYS 33 CO -0.08 0.88 -0.40 0.93 -2.27 0.00 0.00 179.45 178.50 1dt7 h GLU 34 N 1.37 0.65 -0.00 1.90 5.08 -1.33 0.25 114.58 122.48 1dt7 h GLU 34 Ca 0.37 -0.33 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1dt7 h GLU 34 Cb -0.16 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.10 1dt7 h GLU 34 CO -0.08 0.94 0.00 1.25 -1.00 0.00 0.00 179.01 180.12 1dt7 h LEU 35 N 0.53 0.00 -0.01 1.33 6.46 -0.90 -1.03 115.31 121.70 1dt7 h LEU 35 Ca 0.04 -0.13 -0.01 0.00 -0.12 0.00 0.00 57.88 57.67 1dt7 h LEU 35 Cb 0.93 -0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.86 1dt7 h LEU 35 CO 0.08 0.13 -0.02 0.40 -0.62 0.00 0.00 178.44 178.42 1dt7 h ILE 36 N -0.13 1.45 -0.95 4.05 2.04 -1.31 0.39 117.51 123.06 1dt7 h ILE 36 Ca 0.00 -1.37 -0.01 0.00 1.00 0.00 0.00 64.86 64.49 1dt7 h ILE 36 Cb 0.13 2.36 -0.05 0.00 -0.74 0.00 0.00 36.82 38.52 1dt7 h ILE 36 CO -0.00 0.36 0.57 -1.13 0.00 0.00 0.00 178.15 177.94 1dt7 h ASN 37 N -0.54 1.14 0.04 1.72 -0.73 -0.54 -0.81 115.58 115.86 1dt7 h ASN 37 Ca 0.00 -0.07 -0.37 0.00 1.87 0.00 0.00 56.30 57.72 1dt7 h ASN 37 Cb 0.59 -0.29 -0.07 0.00 0.27 0.00 0.00 38.32 38.83 1dt7 h ASN 37 CO 0.00 0.88 -2.37 0.59 -0.37 0.00 0.00 177.43 176.17 1dt7 n ASN 38 N -4.35 1.04 0.06 1.15 5.03 -0.39 -3.67 115.26 114.13 1dt7 n ASN 38 Ca 0.11 -0.02 0.08 0.00 0.87 0.00 0.00 54.58 55.61 1dt7 n ASN 38 Cb 0.06 0.21 -0.05 0.00 -1.02 0.00 0.00 39.78 38.99 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 -3.03 0.62 -1.55 3.52 2.13 0.14 -4.18 120.64 118.27 1dt7 n GLU 39 Ca -0.38 0.09 -0.13 0.00 0.66 0.00 0.00 57.16 57.41 1dt7 n GLU 39 Cb 1.07 -1.77 0.08 0.00 0.27 0.00 0.00 31.44 31.10 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 -2.67 4.06 0.00 4.31 4.77 -0.32 -4.77 117.00 122.38 1dt7 n LEU 40 Ca -0.04 -4.39 0.00 0.00 -0.03 0.00 0.00 56.01 51.55 1dt7 n LEU 40 Cb 0.64 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 1dt7 n LEU 40 CO 0.42 1.83 0.30 -1.54 -1.33 0.00 0.00 177.39 177.06 1dt7 n SER 41 N -0.83 0.00 0.14 -1.43 3.41 -1.17 -3.34 113.62 110.41 1dt7 n SER 41 Ca 0.34 0.74 0.13 0.00 -0.26 0.00 0.00 58.87 59.82 1dt7 n SER 41 Cb 0.87 -0.42 0.31 0.00 -0.26 0.00 0.00 64.21 64.71 1dt7 n SER 41 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 1dt7 h HIS 42 N 0.00 0.00 -0.42 7.33 -0.00 -1.89 -3.30 115.15 116.86 1dt7 h HIS 42 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 1dt7 h HIS 42 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 27.39 1dt7 h HIS 42 CO 0.13 0.00 0.28 0.35 -0.00 0.00 0.00 177.93 178.68 1dt7 h PHE 43 N 0.00 0.53 -0.69 5.26 3.04 -1.86 -3.48 116.94 119.75 1dt7 h PHE 43 Ca 0.00 0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.96 1dt7 h PHE 43 Cb 0.83 -0.18 0.00 0.00 2.56 0.00 0.00 35.95 39.16 1dt7 h PHE 43 CO 0.00 0.34 0.00 1.47 -2.02 0.00 0.00 178.31 178.10 1dt7 n LEU 44 N -4.79 0.00 -4.53 0.59 -0.00 -1.21 -5.05 117.00 102.00 1dt7 n LEU 44 Ca 0.01 0.00 -0.23 0.00 -0.00 0.00 0.00 56.01 55.79 1dt7 n LEU 44 Cb 0.02 0.00 -0.13 0.00 -0.00 0.00 0.00 43.42 43.31 1dt7 n LEU 44 CO 0.35 0.00 1.76 1.21 -0.00 0.00 0.00 177.39 180.71 1dt7 n GLU 45 N 0.00 0.37 -1.92 1.47 0.00 -1.26 -4.71 120.64 114.59 1dt7 n GLU 45 Ca 0.00 -0.33 -0.37 0.00 0.00 0.00 0.00 57.16 56.46 1dt7 n GLU 45 Cb 0.00 -2.47 0.04 0.00 0.00 0.00 0.00 31.44 29.01 1dt7 n GLU 45 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.13 175.13 1dt7 s GLU 46 N 8.20 3.05 0.06 5.31 2.12 -1.25 -4.96 118.70 131.22 1dt7 s GLU 46 Ca 1.13 2.00 -0.22 0.00 0.36 0.00 0.00 54.97 58.23 1dt7 s GLU 46 Cb -0.53 -2.08 -0.06 0.00 0.26 0.00 0.00 34.13 31.72 1dt7 s GLU 46 CO 0.33 -1.19 0.67 0.42 -0.54 0.00 0.00 175.26 174.95 1dt7 s ILE 47 N -1.45 4.70 -0.05 -3.70 -1.09 -1.26 -4.94 121.20 113.41 1dt7 s ILE 47 Ca 0.75 1.44 0.10 0.00 -2.23 0.00 0.00 60.65 60.71 1dt7 s ILE 47 Cb -0.35 -4.02 -0.15 0.00 -1.58 0.00 0.00 42.46 36.36 1dt7 s ILE 47 CO 0.39 0.46 0.15 0.29 -1.23 0.00 0.00 174.94 175.00 1dt7 n LYS 48 N 2.28 1.23 -4.41 2.79 4.76 -1.26 -4.87 118.16 118.67 1dt7 n LYS 48 Ca -0.06 -0.06 -0.20 0.00 -2.87 0.00 0.00 58.31 55.12 1dt7 n LYS 48 Cb 0.50 -1.26 -0.14 0.00 -1.84 0.00 0.00 35.03 32.30 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 -2.53 0.97 0.51 1.97 2.02 -1.26 -5.01 118.70 115.38 1dt7 s GLU 49 Ca -0.04 -0.70 0.33 0.00 0.02 0.00 0.00 54.97 54.58 1dt7 s GLU 49 Cb 0.05 -0.97 1.46 0.00 0.10 0.00 0.00 34.13 34.77 1dt7 s GLU 49 CO 0.44 0.25 1.99 -0.56 0.02 0.00 0.00 175.26 177.39 1dt7 h GLN 50 N 5.12 0.00 -0.97 1.61 -0.00 -2.00 -2.73 115.11 116.14 1dt7 h GLN 50 Ca -0.37 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.28 1dt7 h GLN 50 Cb 1.18 0.00 -0.05 0.00 -0.00 0.00 0.00 27.48 28.61 1dt7 h GLN 50 CO 0.45 0.00 0.61 1.05 -0.00 0.00 0.00 178.83 180.94 1dt7 h GLU 51 N 0.00 1.30 -0.96 0.06 -0.00 -2.00 -1.57 114.58 111.42 1dt7 h GLU 51 Ca 0.00 -0.10 -0.00 0.00 -0.00 0.00 0.00 59.36 59.25 1dt7 h GLU 51 Cb 0.40 -0.28 -0.05 0.00 -0.00 0.00 0.00 28.75 28.82 1dt7 h GLU 51 CO 0.00 0.89 0.58 0.28 -0.00 0.00 0.00 179.01 180.76 1dt7 h VAL 52 N 1.33 1.26 -0.87 -1.06 2.07 -1.91 -1.10 116.25 115.97 1dt7 h VAL 52 Ca 0.35 -0.56 -0.03 0.00 0.82 0.00 0.00 66.70 67.28 1dt7 h VAL 52 Cb -0.10 -0.09 -0.04 0.00 -1.52 0.00 0.00 31.29 29.54 1dt7 h VAL 52 CO -0.07 0.27 0.43 0.58 0.02 0.00 0.00 177.57 178.80 1dt7 h VAL 53 N 1.32 1.26 -0.97 2.57 2.07 -1.43 -1.83 116.25 119.24 1dt7 h VAL 53 Ca 0.34 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 67.15 1dt7 h VAL 53 Cb -0.06 0.14 -0.05 0.00 -1.52 0.00 0.00 31.29 29.80 1dt7 h VAL 53 CO -0.07 0.31 0.61 -0.78 0.02 0.00 0.00 177.57 177.67 1dt7 h ASP 54 N 1.23 1.15 -0.84 0.57 1.82 -0.37 0.61 116.42 120.58 1dt7 h ASP 54 Ca 0.30 -0.05 -0.03 0.00 -0.39 0.00 0.00 57.03 56.86 1dt7 h ASP 54 Cb 0.10 -0.29 -0.04 0.00 0.68 0.00 0.00 39.33 39.78 1dt7 h ASP 54 CO -0.04 0.86 0.42 0.50 -1.61 0.00 0.00 179.24 179.38 1dt7 h LYS 55 N 1.33 1.20 -0.08 0.28 3.64 -0.63 -0.21 116.57 122.11 1dt7 h LYS 55 Ca 0.35 -0.16 -0.08 0.00 -1.27 0.00 0.00 60.65 59.49 1dt7 h LYS 55 Cb -0.10 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.49 1dt7 h LYS 55 CO -0.07 0.91 -0.30 0.28 -2.27 0.00 0.00 179.45 177.99 1dt7 h VAL 56 N 1.19 1.25 -0.06 2.00 2.07 -0.51 -2.35 116.25 119.83 1dt7 h VAL 56 Ca 0.29 -1.18 -0.12 0.00 0.82 0.00 0.00 66.70 66.52 1dt7 h VAL 56 Cb 0.09 1.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 1dt7 h VAL 56 CO -0.04 0.35 -0.48 0.24 0.02 0.00 0.00 177.57 177.65 1dt7 h MET 57 N 0.13 0.16 -0.99 1.57 2.86 0.83 0.55 114.93 120.03 1dt7 h MET 57 Ca 0.02 -0.09 0.03 0.00 -2.06 0.00 0.00 59.70 57.60 1dt7 h MET 57 Cb 0.61 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.22 1dt7 h MET 57 CO 0.04 0.61 0.65 1.49 1.06 0.00 0.00 176.91 180.77 1dt7 h GLU 58 N 0.13 1.25 0.08 1.72 4.57 -0.72 3.00 114.58 124.61 1dt7 h GLU 58 Ca 0.01 -0.08 -0.12 0.00 -1.18 0.00 0.00 59.36 57.99 1dt7 h GLU 58 Cb 0.91 -0.28 0.01 0.00 -0.16 0.00 0.00 28.75 29.23 1dt7 h GLU 58 CO 0.07 0.83 -0.53 1.15 -1.18 0.00 0.00 179.01 179.35 1dt7 h THR 59 N 1.29 1.59 0.00 0.32 2.02 -1.38 -3.35 112.91 113.39 1dt7 h THR 59 Ca 0.39 -2.41 0.00 0.00 0.77 0.00 0.00 66.41 65.16 1dt7 h THR 59 Cb -0.04 3.19 0.00 0.00 -1.74 0.00 0.00 68.15 69.55 1dt7 h THR 59 CO -0.11 0.67 -0.54 0.18 0.37 0.00 0.00 175.52 176.08 1dt7 n LEU 60 N -4.30 0.56 -3.43 2.58 7.99 0.19 -4.27 117.00 116.32 1dt7 n LEU 60 Ca -0.12 0.12 -0.40 0.00 -0.01 0.00 0.00 56.01 55.60 1dt7 n LEU 60 Cb 0.69 -0.23 -0.02 0.00 -0.11 0.00 0.00 43.42 43.75 1dt7 n LEU 60 CO 0.44 0.04 3.17 -0.67 -1.51 0.00 0.00 177.39 178.85 1dt7 n ASP 61 N -1.77 7.53 -0.36 -1.43 -0.08 1.00 -4.57 116.55 116.87 1dt7 n ASP 61 Ca 0.05 -2.67 0.01 0.00 -1.51 0.00 0.00 54.79 50.66 1dt7 n ASP 61 Cb 0.38 -1.57 0.16 0.00 2.34 0.00 0.00 41.12 42.43 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 5.23 1.19 0.00 -0.67 5.08 -1.80 0.25 114.58 123.86 1dt7 h GLU 62 Ca 0.79 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 59.08 1dt7 h GLU 62 Cb 0.37 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1dt7 h GLU 62 CO 1.79 0.79 0.00 -0.25 -1.00 0.00 0.00 179.01 180.34 1dt7 n ASP 63 N -4.45 0.34 -2.51 1.42 8.00 -1.26 -4.88 116.55 113.21 1dt7 n ASP 63 Ca 0.14 0.55 -0.20 0.00 0.71 0.00 0.00 54.79 55.99 1dt7 n ASP 63 Cb 0.12 -0.64 0.01 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 0.82 -0.45 0.90 0.44 0.00 0.87 -4.86 105.19 102.90 1dt7 n GLY 64 Ca 0.05 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.16 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 -2.00 3.10 0.00 1.61 5.68 -1.26 -4.93 116.55 118.75 1dt7 n ASP 65 Ca -0.18 -1.90 0.00 0.00 -0.50 0.00 0.00 54.79 52.21 1dt7 n ASP 65 Cb 0.65 -0.23 0.00 0.00 -1.14 0.00 0.00 41.12 40.40 1dt7 n ASP 65 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1dt7 n GLY 66 N 1.05 1.11 2.88 6.12 0.00 -1.26 -5.00 105.19 110.09 1dt7 n GLY 66 Ca 0.15 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.20 0.02 -0.18 1.61 4.04 -1.26 -2.82 118.70 119.91 1dt7 s GLU 67 Ca 0.00 0.06 -0.12 0.00 0.04 0.00 0.00 54.97 54.95 1dt7 s GLU 67 Cb 0.00 -0.03 -0.05 0.00 0.02 0.00 0.00 34.13 34.07 1dt7 s GLU 67 CO 0.00 -0.03 0.23 0.00 -1.84 0.00 0.00 175.26 173.62 1dt7 s ASP 69 N 0.48 3.99 0.30 0.00 1.01 -1.26 -1.77 116.67 119.41 1dt7 s ASP 69 Ca 0.13 0.98 0.06 0.00 0.71 0.00 0.00 52.55 54.42 1dt7 s ASP 69 Cb -0.12 -1.57 0.73 0.00 1.01 0.00 0.00 42.92 42.97 1dt7 s ASP 69 CO 0.02 -2.25 1.78 0.15 0.21 0.00 0.00 175.17 175.08 1dt7 h PHE 70 N -1.29 1.07 0.00 4.23 3.57 -1.94 0.22 116.94 122.81 1dt7 h PHE 70 Ca -0.49 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.05 1dt7 h PHE 70 Cb 1.32 -0.32 -0.00 0.00 2.79 0.00 0.00 35.95 39.73 1dt7 h PHE 70 CO 0.33 0.24 -0.00 0.37 -2.23 0.00 0.00 178.31 177.02 1dt7 h GLN 71 N 0.77 -0.01 -0.83 1.11 4.15 -1.93 -0.45 115.11 117.92 1dt7 h GLN 71 Ca 0.58 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.96 1dt7 h GLN 71 Cb 0.89 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.54 1dt7 h GLN 71 CO -0.38 -0.01 0.36 0.93 -1.93 0.00 0.00 178.83 177.81 1dt7 h GLU 72 N -0.01 1.21 -0.13 1.69 5.08 -1.08 -2.13 114.58 119.21 1dt7 h GLU 72 Ca 0.00 -0.20 -0.07 0.00 -1.00 0.00 0.00 59.36 58.09 1dt7 h GLU 72 Cb 0.01 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.04 1dt7 h GLU 72 CO -0.00 0.96 -0.22 0.35 -1.00 0.00 0.00 179.01 179.09 1dt7 h PHE 73 N 1.19 0.24 -0.78 4.33 3.57 -0.41 -2.56 116.94 122.52 1dt7 h PHE 73 Ca 0.28 -0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.75 1dt7 h PHE 73 Cb 0.17 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 38.81 1dt7 h PHE 73 CO 0.02 0.44 0.52 0.52 -2.23 0.00 0.00 178.31 177.58 1dt7 h MET 74 N 0.21 1.03 -0.12 1.11 2.86 -0.39 -1.95 114.93 117.67 1dt7 h MET 74 Ca 0.04 -0.06 -0.12 0.00 -2.06 0.00 0.00 59.70 57.49 1dt7 h MET 74 Cb 0.52 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 1dt7 h MET 74 CO 0.04 0.68 -0.46 0.00 1.06 0.00 0.00 176.91 178.23 1dt7 h ALA 75 N 1.51 0.99 -0.77 6.32 0.00 -1.37 -2.95 119.26 122.99 1dt7 h ALA 75 Ca 0.29 -0.45 0.01 0.00 0.00 0.00 0.00 54.91 54.75 1dt7 h ALA 75 Cb -0.12 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 1dt7 h ALA 75 CO -0.06 0.63 0.51 0.35 0.00 0.00 0.00 179.25 180.68 1dt7 h PHE 76 N 0.25 0.97 -0.26 0.00 3.57 -1.30 -1.68 116.94 118.49 1dt7 h PHE 76 Ca 0.02 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.44 1dt7 h PHE 76 Cb 0.91 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 39.30 1dt7 h PHE 76 CO 0.02 0.61 -0.27 0.28 -2.23 0.00 0.00 178.31 176.72 1dt7 h VAL 77 N 1.05 1.27 -0.70 1.41 2.07 -1.40 -2.35 116.25 117.60 1dt7 h VAL 77 Ca 0.28 -1.32 -0.04 0.00 0.82 0.00 0.00 66.70 66.45 1dt7 h VAL 77 Cb -0.12 1.37 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 1dt7 h VAL 77 CO -0.06 0.42 0.29 -1.28 0.02 0.00 0.00 177.57 176.95 1dt7 h SER 78 N 0.44 0.97 0.12 0.57 0.87 -1.22 -2.15 113.55 113.14 1dt7 h SER 78 Ca 0.06 -0.17 -0.29 0.00 -1.23 0.00 0.00 61.79 60.16 1dt7 h SER 78 Cb 0.70 -0.25 0.03 0.00 -0.44 0.00 0.00 62.40 62.44 1dt7 h SER 78 CO 0.05 0.87 -1.20 0.24 -0.53 0.00 0.00 176.83 176.26 1dt7 h MET 79 N 1.00 0.61 -0.95 2.24 2.07 -1.38 -3.14 114.93 115.38 1dt7 h MET 79 Ca 0.24 -0.81 -0.00 0.00 -2.07 0.00 0.00 59.70 57.05 1dt7 h MET 79 Cb 0.20 0.27 -0.05 0.00 -1.87 0.00 0.00 31.60 30.15 1dt7 h MET 79 CO -0.02 1.37 0.58 0.28 1.07 0.00 0.00 176.91 180.19 1dt7 h VAL 80 N 0.23 1.26 -0.85 -2.22 2.07 -1.39 -1.20 116.25 114.15 1dt7 h VAL 80 Ca -0.18 -0.54 0.01 0.00 0.82 0.00 0.00 66.70 66.80 1dt7 h VAL 80 Cb 1.88 -0.09 -0.04 0.00 -1.52 0.00 0.00 31.29 31.52 1dt7 h VAL 80 CO 0.23 0.27 0.57 0.74 0.02 0.00 0.00 177.57 179.39 1dt7 h THR 81 N 1.30 1.22 -1.00 2.57 2.02 -1.45 -0.38 112.91 117.19 1dt7 h THR 81 Ca 0.34 -0.40 0.09 0.00 0.77 0.00 0.00 66.41 67.21 1dt7 h THR 81 Cb -0.07 -0.04 -0.07 0.00 -1.74 0.00 0.00 68.15 66.23 1dt7 h THR 81 CO -0.07 0.21 0.64 0.74 0.37 0.00 0.00 175.52 177.41 1dt7 h THR 82 N 1.15 1.02 -0.93 3.16 2.02 -1.17 0.11 112.91 118.26 1dt7 h THR 82 Ca 0.31 -0.37 0.01 0.00 0.77 0.00 0.00 66.41 67.13 1dt7 h THR 82 Cb -0.13 -0.17 -0.05 0.00 -1.74 0.00 0.00 68.15 66.06 1dt7 h THR 82 CO -0.07 0.20 0.62 0.00 0.37 0.00 0.00 175.52 176.64 1dt7 h ALA 83 N 1.50 1.34 -0.60 6.16 0.00 -0.83 -1.58 119.26 125.24 1dt7 h ALA 83 Ca 0.46 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.31 1dt7 h ALA 83 Cb 0.31 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1dt7 h ALA 83 CO -0.21 0.62 0.40 0.00 0.00 0.00 0.00 179.25 180.05 1dt7 h HIS 85 N 0.81 1.18 -0.94 0.00 6.17 -0.87 2.58 115.15 124.08 1dt7 h HIS 85 Ca 0.22 0.03 0.01 0.00 0.71 0.00 0.00 60.37 61.34 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 0.62 1.49 0.71 0.00 0.00 177.93 181.49 1dt7 h GLU 86 N 1.27 1.23 0.00 5.26 4.81 -1.26 -2.75 114.58 123.14 1dt7 h GLU 86 Ca 0.34 -0.07 -0.16 0.00 -0.13 0.00 0.00 59.36 59.34 1dt7 h GLU 86 Cb -0.15 -0.28 -0.03 0.00 0.63 0.00 0.00 28.75 28.93 1dt7 h GLU 86 CO -0.08 0.82 -1.64 1.19 -0.73 0.00 0.00 179.01 178.57 1dt7 n PHE 87 N -4.39 0.64 -2.45 0.92 3.72 -0.65 -4.40 117.46 110.86 1dt7 n PHE 87 Ca 0.11 0.21 -0.42 0.00 -0.05 0.00 0.00 57.45 57.30 1dt7 n PHE 87 Cb 0.02 -0.96 0.01 0.00 -0.94 0.00 0.00 39.48 37.60 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 -2.73 2.69 -2.67 1.38 -0.00 0.86 -4.93 117.46 112.05 1dt7 n PHE 88 Ca -0.12 -2.73 -0.42 0.00 -0.00 0.00 0.00 57.45 54.19 1dt7 n PHE 88 Cb 0.82 -1.73 -0.03 0.00 -0.00 0.00 0.00 39.48 38.54 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 -0.84 3.21 0.18 -4.13 0.41 -1.24 -4.70 118.70 111.60 1dt7 s GLU 89 Ca 0.40 -0.57 -0.09 0.00 -0.41 0.00 0.00 54.97 54.30 1dt7 s GLU 89 Cb 0.10 -4.32 0.08 0.00 -1.78 0.00 0.00 34.13 28.21 1dt7 s GLU 89 CO 0.01 -2.03 1.65 1.25 -0.49 0.00 0.00 175.26 175.65 1dt7 h HIS 90 N 9.81 1.18 0.00 1.61 2.76 -1.92 -3.53 115.15 125.06 1dt7 h HIS 90 Ca -0.23 -0.20 0.00 0.00 -2.20 0.00 0.00 60.37 57.74 1dt7 h HIS 90 Cb 1.05 -0.31 0.00 0.00 1.55 0.00 0.00 27.41 29.70 1dt7 h HIS 90 CO 1.09 1.03 0.00 0.39 -1.30 0.00 0.00 177.93 179.14