#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 -5.46 0.00 7.83 2.88 -1.26 -4.80 113.62 112.82 1dt7 n SER 1 Ca 0.00 0.41 0.11 0.00 -1.33 0.00 0.00 58.87 58.05 1dt7 n SER 1 Cb 0.00 -4.67 0.55 0.00 -0.75 0.00 0.00 64.21 59.33 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 -2.51 0.26 0.00 -1.46 1.02 -1.26 -3.75 120.64 112.95 1dt7 n GLU 2 Ca -0.21 0.08 0.19 0.00 -0.02 0.00 0.00 57.16 57.21 1dt7 n GLU 2 Cb 0.66 -1.50 0.38 0.00 -0.02 0.00 0.00 31.44 30.96 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 -0.42 -4.62 5.85 -2.00 0.80 115.31 114.92 1dt7 h LEU 3 Ca 0.00 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.56 1dt7 h LEU 3 Cb 0.24 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 1dt7 h LEU 3 CO 0.00 0.00 -0.41 -0.08 -0.34 0.00 0.00 178.44 177.61 1dt7 h GLU 4 N 0.00 0.88 -0.02 1.25 4.81 -1.98 -2.29 114.58 117.23 1dt7 h GLU 4 Ca 0.30 -0.47 -0.18 0.00 -0.13 0.00 0.00 59.36 58.87 1dt7 h GLU 4 Cb 2.32 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 31.71 1dt7 h GLU 4 CO -0.00 1.12 -0.80 1.57 -0.73 0.00 0.00 179.01 180.16 1dt7 h LYS 5 N 0.71 0.22 -0.23 1.92 2.10 0.32 -3.08 116.57 118.54 1dt7 h LYS 5 Ca 0.05 -0.21 -0.07 0.00 -2.00 0.00 0.00 60.65 58.42 1dt7 h LYS 5 Cb 0.99 0.05 -0.01 0.00 -0.90 0.00 0.00 32.23 32.37 1dt7 h LYS 5 CO 0.10 0.91 -0.12 0.00 -2.00 0.00 0.00 179.45 178.34 1dt7 h ALA 6 N 1.02 0.32 -0.93 0.07 0.00 -1.44 -2.04 119.26 116.26 1dt7 h ALA 6 Ca -0.03 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 1dt7 h ALA 6 Cb 1.40 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 19.07 1dt7 h ALA 6 CO 0.12 0.18 0.54 0.52 0.00 0.00 0.00 179.25 180.61 1dt7 h MET 7 N 0.19 1.27 -0.33 0.00 2.86 -1.47 -2.00 114.93 115.46 1dt7 h MET 7 Ca 0.05 -0.13 -0.10 0.00 -2.06 0.00 0.00 59.70 57.46 1dt7 h MET 7 Cb 0.63 -0.26 -0.02 0.00 0.06 0.00 0.00 31.60 32.01 1dt7 h MET 7 CO 0.04 0.91 -0.20 0.28 1.06 0.00 0.00 176.91 178.99 1dt7 h VAL 8 N 1.29 1.26 -0.28 -2.22 2.07 -1.47 -3.02 116.25 113.88 1dt7 h VAL 8 Ca 0.33 -1.24 -0.12 0.00 0.82 0.00 0.00 66.70 66.49 1dt7 h VAL 8 Cb -0.02 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 1dt7 h VAL 8 CO -0.06 0.41 -0.33 0.00 0.02 0.00 0.00 177.57 177.60 1dt7 h ALA 9 N 1.23 0.89 -1.01 1.67 0.00 -0.67 -2.41 119.26 118.97 1dt7 h ALA 9 Ca 0.08 -0.41 0.01 0.00 0.00 0.00 0.00 54.91 54.60 1dt7 h ALA 9 Cb 0.65 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.27 1dt7 h ALA 9 CO 0.05 0.63 0.67 -0.07 0.00 0.00 0.00 179.25 180.52 1dt7 h LEU 10 N 0.52 1.15 -0.48 0.00 3.38 -1.28 -2.06 115.31 116.54 1dt7 h LEU 10 Ca 0.06 -0.03 -0.14 0.00 0.09 0.00 0.00 57.88 57.86 1dt7 h LEU 10 Cb 0.82 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1dt7 h LEU 10 CO 0.07 0.84 -0.24 0.40 0.09 0.00 0.00 178.44 179.59 1dt7 h ILE 11 N 1.36 1.27 -0.11 1.22 2.04 -1.51 -2.86 117.51 118.92 1dt7 h ILE 11 Ca 0.37 -1.41 0.00 0.00 1.00 0.00 0.00 64.86 64.82 1dt7 h ILE 11 Cb -0.16 1.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 1dt7 h ILE 11 CO -0.08 0.49 0.07 -0.78 0.00 0.00 0.00 178.15 177.85 1dt7 h ASP 12 N 0.84 0.13 -0.43 1.72 1.82 -0.88 -2.74 116.42 116.88 1dt7 h ASP 12 Ca 0.10 -0.01 -0.15 0.00 -0.39 0.00 0.00 57.03 56.58 1dt7 h ASP 12 Cb 0.83 -0.03 -0.01 0.00 0.68 0.00 0.00 39.33 40.79 1dt7 h ASP 12 CO 0.07 0.10 -0.32 0.58 -1.61 0.00 0.00 179.24 178.07 1dt7 h VAL 13 N 0.15 1.27 -0.74 2.25 2.07 -1.53 -3.03 116.25 116.69 1dt7 h VAL 13 Ca 0.04 -1.49 0.04 0.00 0.82 0.00 0.00 66.70 66.11 1dt7 h VAL 13 Cb -0.01 1.27 -0.04 0.00 -1.52 0.00 0.00 31.29 30.98 1dt7 h VAL 13 CO -0.01 0.51 0.49 0.15 0.02 0.00 0.00 177.57 178.72 1dt7 h PHE 14 N 0.81 0.86 0.00 1.57 3.57 -1.43 -0.33 116.94 121.99 1dt7 h PHE 14 Ca 0.08 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.54 1dt7 h PHE 14 Cb 0.91 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 39.35 1dt7 h PHE 14 CO 0.06 0.49 -0.29 0.45 -2.23 0.00 0.00 178.31 176.79 1dt7 h HIS 15 N 0.88 0.00 -0.73 0.41 3.86 -1.37 -1.65 115.15 116.55 1dt7 h HIS 15 Ca 0.30 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.52 1dt7 h HIS 15 Cb 0.08 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.51 1dt7 h HIS 15 CO -0.00 0.29 0.48 1.96 0.86 0.00 0.00 177.93 181.53 1dt7 h GLN 16 N 0.00 0.96 0.00 2.45 1.08 -0.99 -3.00 115.11 115.61 1dt7 h GLN 16 Ca -0.00 -0.06 -0.30 0.00 -1.45 0.00 0.00 58.65 56.84 1dt7 h GLN 16 Cb 0.70 -0.22 -0.05 0.00 -0.05 0.00 0.00 27.48 27.86 1dt7 h GLN 16 CO 0.04 0.63 -2.03 0.66 -0.95 0.00 0.00 178.83 177.19 1dt7 n TYR 17 N -4.58 0.46 -0.38 2.96 4.02 -1.17 -4.02 117.16 114.44 1dt7 n TYR 17 Ca 0.07 0.16 -0.02 0.00 -0.01 0.00 0.00 57.90 58.10 1dt7 n TYR 17 Cb 0.02 -1.05 0.11 0.00 -0.02 0.00 0.00 39.34 38.40 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 0.00 1.16 -0.07 7.72 0.02 -1.32 0.06 113.55 121.12 1dt7 h SER 18 Ca -0.39 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.53 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 0.05 0.84 0.00 0.61 -1.14 0.00 0.00 176.83 177.18 1dt7 n GLY 19 N -1.38 -0.44 0.04 -3.77 0.00 -1.14 -2.57 105.19 95.94 1dt7 n GLY 19 Ca 0.12 -0.24 -0.12 0.00 0.00 0.00 0.00 46.02 45.78 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 0.94 0.01 -0.05 1.61 9.65 -1.11 -2.96 114.38 122.47 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 0.21 -0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.79 1dt7 h ARG 20 CO 0.00 0.01 0.00 0.39 2.80 0.00 0.00 179.97 183.17 1dt7 n GLU 21 N -5.08 2.04 -0.05 0.20 -0.58 -1.26 -4.93 120.64 110.98 1dt7 n GLU 21 Ca -0.07 -1.82 0.00 0.00 -0.42 0.00 0.00 57.16 54.85 1dt7 n GLU 21 Cb 0.03 -1.42 0.00 0.00 -0.57 0.00 0.00 31.44 29.48 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 1.23 0.43 2.68 0.62 0.00 -1.12 -4.97 105.19 104.05 1dt7 n GLY 22 Ca 0.13 0.00 -0.42 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 5.01 -0.01 1.61 8.00 -1.06 -4.64 116.55 125.45 1dt7 n ASP 23 Ca 0.00 -2.87 -0.07 0.00 0.71 0.00 0.00 54.79 52.56 1dt7 n ASP 23 Cb 0.00 -1.60 0.10 0.00 -0.02 0.00 0.00 41.12 39.61 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 5.74 0.58 0.00 -1.24 1.57 -1.91 -3.02 116.57 118.29 1dt7 h LYS 24 Ca 0.59 -0.29 -0.00 0.00 -1.87 0.00 0.00 60.65 59.08 1dt7 h LYS 24 Cb 0.57 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.88 1dt7 h LYS 24 CO 1.81 0.88 -0.00 0.45 -0.57 0.00 0.00 179.45 182.01 1dt7 h HIS 25 N 0.48 0.00 -3.97 -1.35 3.86 -1.89 -3.47 115.15 108.82 1dt7 h HIS 25 Ca 0.04 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.15 1dt7 h HIS 25 Cb 0.90 0.00 -0.15 0.00 1.06 0.00 0.00 27.41 29.21 1dt7 h HIS 25 CO 0.04 0.00 -0.51 -1.59 0.86 0.00 0.00 177.93 176.73 1dt7 s LYS 26 N -3.31 0.71 -0.11 2.45 -2.85 -1.14 -4.31 119.74 111.18 1dt7 s LYS 26 Ca 0.06 -1.02 0.03 0.00 -1.00 0.00 0.00 55.97 54.04 1dt7 s LYS 26 Cb 0.06 0.27 -0.00 0.00 -2.06 0.00 0.00 37.83 36.10 1dt7 s LYS 26 CO 0.64 -0.19 -0.21 -1.17 0.10 0.00 0.00 175.35 174.53 1dt7 s LEU 27 N -2.75 2.29 -0.03 2.77 2.96 -0.77 -4.60 118.68 118.56 1dt7 s LEU 27 Ca 0.04 -0.49 -0.05 0.00 -0.22 0.00 0.00 54.13 53.41 1dt7 s LEU 27 Cb 0.05 -1.47 -0.04 0.00 0.50 0.00 0.00 46.19 45.22 1dt7 s LEU 27 CO -0.09 0.16 0.20 -0.75 -1.32 0.00 0.00 176.35 174.55 1dt7 s LYS 28 N 0.33 3.49 0.63 1.98 2.20 -1.26 -0.85 119.74 126.26 1dt7 s LYS 28 Ca -0.16 -0.20 0.16 0.00 -0.36 0.00 0.00 55.97 55.41 1dt7 s LYS 28 Cb -0.17 -3.11 0.60 0.00 -1.51 0.00 0.00 37.83 33.64 1dt7 s LYS 28 CO 0.08 0.69 1.23 1.57 -0.36 0.00 0.00 175.35 178.56 1dt7 h LYS 29 N 4.11 0.00 0.22 4.03 2.10 -1.93 0.48 116.57 125.58 1dt7 h LYS 29 Ca -0.50 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.13 1dt7 h LYS 29 Cb 1.20 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.53 1dt7 h LYS 29 CO 0.66 0.00 -0.11 1.03 -2.00 0.00 0.00 179.45 179.03 1dt7 h SER 30 N 0.00 -0.25 -0.26 7.07 0.87 -1.91 -2.32 113.55 116.74 1dt7 h SER 30 Ca 0.27 -0.26 -0.03 0.00 -1.23 0.00 0.00 61.79 60.53 1dt7 h SER 30 Cb 2.40 0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 64.41 1dt7 h SER 30 CO -0.00 0.26 0.07 -0.33 -0.53 0.00 0.00 176.83 176.30 1dt7 h GLU 31 N -0.90 0.50 -0.53 2.24 5.08 -0.47 -2.35 114.58 118.15 1dt7 h GLU 31 Ca -0.03 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1dt7 h GLU 31 Cb 0.50 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.64 1dt7 h GLU 31 CO 0.05 0.47 0.35 1.25 -1.00 0.00 0.00 179.01 180.13 1dt7 h LEU 32 N 0.49 0.61 -0.83 1.33 5.85 -1.21 -1.78 115.31 119.77 1dt7 h LEU 32 Ca 0.11 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.77 1dt7 h LEU 32 Cb 0.21 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.05 1dt7 h LEU 32 CO -0.00 0.44 0.35 0.50 -0.34 0.00 0.00 178.44 179.39 1dt7 h LYS 33 N 0.71 1.21 0.00 1.25 3.64 -0.88 -2.00 116.57 120.50 1dt7 h LYS 33 Ca 0.19 -0.21 -0.06 0.00 -1.27 0.00 0.00 60.65 59.30 1dt7 h LYS 33 Cb -0.08 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.53 1dt7 h LYS 33 CO -0.04 0.96 -0.30 1.49 -2.27 0.00 0.00 179.45 179.29 1dt7 h GLU 34 N 1.19 0.00 -0.14 1.90 4.57 -1.16 0.13 114.58 121.07 1dt7 h GLU 34 Ca 0.28 0.00 -0.11 0.00 -1.18 0.00 0.00 59.36 58.35 1dt7 h GLU 34 Cb 0.18 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.78 1dt7 h GLU 34 CO -0.03 0.30 -0.34 1.25 -1.18 0.00 0.00 179.01 179.01 1dt7 h LEU 35 N 0.00 0.54 -0.05 1.64 6.46 -0.71 0.51 115.31 123.71 1dt7 h LEU 35 Ca -0.00 -0.58 -0.02 0.00 -0.12 0.00 0.00 57.88 57.16 1dt7 h LEU 35 Cb 0.55 -0.16 -0.00 0.00 -0.73 0.00 0.00 40.66 40.32 1dt7 h LEU 35 CO 0.04 1.02 -0.05 0.40 -0.62 0.00 0.00 178.44 179.23 1dt7 h ILE 36 N 0.09 1.37 0.01 4.05 2.04 -1.01 0.20 117.51 124.25 1dt7 h ILE 36 Ca -0.00 -1.19 -0.19 0.00 1.00 0.00 0.00 64.86 64.47 1dt7 h ILE 36 Cb 0.95 2.05 -0.02 0.00 -0.74 0.00 0.00 36.82 39.06 1dt7 h ILE 36 CO 0.07 0.33 -0.91 0.78 0.00 0.00 0.00 178.15 178.42 1dt7 h ASN 37 N -0.32 0.06 0.02 1.72 2.35 -0.84 -3.04 115.58 115.53 1dt7 h ASN 37 Ca 0.01 -0.05 -0.39 0.00 -0.55 0.00 0.00 56.30 55.32 1dt7 h ASN 37 Cb 0.55 -0.02 -0.06 0.00 0.05 0.00 0.00 38.32 38.84 1dt7 h ASN 37 CO 0.01 0.93 -2.39 -3.20 -1.65 0.00 0.00 177.43 171.14 1dt7 n ASN 38 N -3.51 2.01 0.13 5.81 4.05 0.17 -4.14 115.26 119.77 1dt7 n ASN 38 Ca -0.01 -0.06 0.12 0.00 0.45 0.00 0.00 54.58 55.07 1dt7 n ASN 38 Cb 0.85 -0.51 0.06 0.00 1.23 0.00 0.00 39.78 41.41 1dt7 n ASN 38 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 177.26 174.13 1dt7 h GLU 39 N -0.02 0.00 -1.46 1.20 4.57 -0.60 -3.34 114.58 114.92 1dt7 h GLU 39 Ca -0.55 0.00 -0.61 0.00 -1.18 0.00 0.00 59.36 57.02 1dt7 h GLU 39 Cb 1.91 0.00 -0.40 0.00 -0.16 0.00 0.00 28.75 30.10 1dt7 h GLU 39 CO -0.07 0.00 -0.47 1.28 -1.18 0.00 0.00 179.01 178.57 1dt7 n LEU 40 N -2.72 5.17 -0.36 1.64 4.77 -1.04 -4.84 117.00 119.63 1dt7 n LEU 40 Ca 0.01 -5.09 -0.02 0.00 -0.03 0.00 0.00 56.01 50.88 1dt7 n LEU 40 Cb 0.53 -0.53 0.10 0.00 -2.33 0.00 0.00 43.42 41.19 1dt7 n LEU 40 CO 0.38 2.14 1.28 0.77 -1.33 0.00 0.00 177.39 180.63 1dt7 h SER 41 N 2.57 1.12 0.00 -1.43 4.64 -1.72 -3.32 113.55 115.40 1dt7 h SER 41 Ca 0.35 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 1dt7 h SER 41 Cb 0.89 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 1dt7 h SER 41 CO 0.93 0.82 -0.52 1.57 -0.87 0.00 0.00 176.83 178.76 1dt7 n HIS 42 N -4.40 0.00 -0.18 4.77 -0.00 -1.26 -4.65 115.22 109.50 1dt7 n HIS 42 Ca 0.11 0.00 -0.04 0.00 -0.00 0.00 0.00 57.72 57.79 1dt7 n HIS 42 Cb 0.02 0.00 0.15 0.00 -0.00 0.00 0.00 29.99 30.15 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 0.98 -4.05 1.57 3.57 -1.89 -3.44 116.94 113.68 1dt7 h PHE 43 Ca 0.00 -0.09 -0.18 0.00 3.53 0.00 0.00 57.97 61.24 1dt7 h PHE 43 Cb 0.03 -0.29 -0.18 0.00 2.79 0.00 0.00 35.95 38.31 1dt7 h PHE 43 CO 0.00 0.80 -0.70 -1.17 -2.23 0.00 0.00 178.31 175.01 1dt7 s LEU 44 N -9.46 2.38 -0.13 0.59 2.96 -1.25 -5.08 118.68 108.69 1dt7 s LEU 44 Ca -0.11 -0.78 -0.29 0.00 -0.22 0.00 0.00 54.13 52.74 1dt7 s LEU 44 Cb 0.15 0.07 -0.06 0.00 0.50 0.00 0.00 46.19 46.85 1dt7 s LEU 44 CO 0.82 -0.42 2.08 -0.70 -1.32 0.00 0.00 176.35 176.80 1dt7 s GLU 45 N -2.78 3.53 1.23 1.98 2.12 -1.26 -4.61 118.70 118.91 1dt7 s GLU 45 Ca -0.02 2.19 -0.19 0.00 0.36 0.00 0.00 54.97 57.31 1dt7 s GLU 45 Cb -0.01 -4.27 0.29 0.00 0.26 0.00 0.00 34.13 30.40 1dt7 s GLU 45 CO -0.05 -1.65 1.07 -1.83 -0.54 0.00 0.00 175.26 172.27 1dt7 s GLU 46 N 5.57 -1.41 -0.11 4.30 1.03 -1.26 -5.02 118.70 121.80 1dt7 s GLU 46 Ca 0.94 0.05 -0.02 0.00 0.03 0.00 0.00 54.97 55.97 1dt7 s GLU 46 Cb -0.36 -1.56 -0.03 0.00 -0.80 0.00 0.00 34.13 31.38 1dt7 s GLU 46 CO 0.37 -3.86 -0.04 0.42 -1.33 0.00 0.00 175.26 170.82 1dt7 s ILE 47 N -2.85 3.93 -0.04 1.83 1.01 -1.26 -5.00 121.20 118.82 1dt7 s ILE 47 Ca 0.70 -0.37 0.20 0.00 0.00 0.00 0.00 60.65 61.18 1dt7 s ILE 47 Cb -0.12 -2.67 -0.30 0.00 0.01 0.00 0.00 42.46 39.38 1dt7 s ILE 47 CO 0.57 0.55 0.40 0.29 0.00 0.00 0.00 174.94 176.76 1dt7 n LYS 48 N 2.80 0.64 -5.16 2.79 4.76 -1.26 -4.78 118.16 117.95 1dt7 n LYS 48 Ca -0.18 -0.17 -0.32 0.00 -2.87 0.00 0.00 58.31 54.78 1dt7 n LYS 48 Cb 0.53 -1.47 -0.15 0.00 -1.84 0.00 0.00 35.03 32.09 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 -3.30 2.24 0.48 1.97 2.02 -1.26 -5.00 118.70 115.84 1dt7 s GLU 49 Ca -0.07 -0.85 0.31 0.00 0.02 0.00 0.00 54.97 54.37 1dt7 s GLU 49 Cb 0.12 -2.15 1.20 0.00 0.10 0.00 0.00 34.13 33.40 1dt7 s GLU 49 CO 0.82 0.58 1.90 -0.56 0.02 0.00 0.00 175.26 178.02 1dt7 h GLN 50 N 5.42 0.00 -0.60 1.61 -0.00 -2.01 -3.03 115.11 116.50 1dt7 h GLN 50 Ca -0.44 0.00 -0.09 0.00 -0.00 0.00 0.00 58.65 58.11 1dt7 h GLN 50 Cb 1.13 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 28.59 1dt7 h GLN 50 CO 0.48 0.00 0.01 1.05 -0.00 0.00 0.00 178.83 180.37 1dt7 h GLU 51 N 0.00 1.05 -1.00 0.06 4.11 -2.00 -2.23 114.58 114.57 1dt7 h GLU 51 Ca 0.00 -0.32 0.01 0.00 0.07 0.00 0.00 59.36 59.12 1dt7 h GLU 51 Cb 0.52 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.62 1dt7 h GLU 51 CO 0.00 1.02 0.66 0.28 0.07 0.00 0.00 179.01 181.04 1dt7 h VAL 52 N 0.96 1.26 -0.90 -1.06 2.07 -1.96 -1.10 116.25 115.51 1dt7 h VAL 52 Ca 0.17 -0.47 -0.02 0.00 0.82 0.00 0.00 66.70 67.20 1dt7 h VAL 52 Cb 0.54 -0.21 -0.04 0.00 -1.52 0.00 0.00 31.29 30.06 1dt7 h VAL 52 CO 0.03 0.25 0.49 0.58 0.02 0.00 0.00 177.57 178.94 1dt7 h VAL 53 N 1.36 1.26 -0.90 2.57 2.07 -1.53 -1.74 116.25 119.32 1dt7 h VAL 53 Ca 0.37 -0.65 -0.02 0.00 0.82 0.00 0.00 66.70 67.22 1dt7 h VAL 53 Cb -0.15 0.04 -0.04 0.00 -1.52 0.00 0.00 31.29 29.61 1dt7 h VAL 53 CO -0.08 0.29 0.49 0.44 0.02 0.00 0.00 177.57 178.73 1dt7 h ASP 54 N 1.26 1.13 -0.65 0.57 3.32 -0.65 -0.14 116.42 121.28 1dt7 h ASP 54 Ca 0.32 -0.11 -0.09 0.00 0.02 0.00 0.00 57.03 57.17 1dt7 h ASP 54 Cb 0.03 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 39.27 1dt7 h ASP 54 CO -0.05 0.91 0.06 0.50 -1.72 0.00 0.00 179.24 178.94 1dt7 h LYS 55 N 1.27 1.10 -0.11 3.56 3.64 -0.85 -1.32 116.57 123.85 1dt7 h LYS 55 Ca 0.32 -0.32 -0.06 0.00 -1.27 0.00 0.00 60.65 59.32 1dt7 h LYS 55 Cb 0.04 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 1dt7 h LYS 55 CO -0.05 1.04 -0.18 0.28 -2.27 0.00 0.00 179.45 178.27 1dt7 h VAL 56 N 1.02 1.19 -0.12 2.00 2.07 -0.73 -1.94 116.25 119.74 1dt7 h VAL 56 Ca 0.19 -0.87 -0.12 0.00 0.82 0.00 0.00 66.70 66.72 1dt7 h VAL 56 Cb 0.50 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 1dt7 h VAL 56 CO 0.02 0.26 -0.48 0.24 0.02 0.00 0.00 177.57 177.64 1dt7 h MET 57 N 0.17 0.30 -0.94 1.57 2.86 0.02 -0.85 114.93 118.06 1dt7 h MET 57 Ca 0.03 -0.16 0.06 0.00 -2.06 0.00 0.00 59.70 57.57 1dt7 h MET 57 Cb 0.43 0.01 -0.06 0.00 0.06 0.00 0.00 31.60 32.04 1dt7 h MET 57 CO 0.03 0.72 0.61 1.49 1.06 0.00 0.00 176.91 180.81 1dt7 h GLU 58 N 0.24 1.05 -0.05 1.72 4.81 -0.48 3.95 114.58 125.82 1dt7 h GLU 58 Ca 0.01 -0.06 -0.09 0.00 -0.13 0.00 0.00 59.36 59.09 1dt7 h GLU 58 Cb 0.93 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 30.08 1dt7 h GLU 58 CO 0.08 0.69 -0.31 1.15 -0.73 0.00 0.00 179.01 179.89 1dt7 h THR 59 N 1.08 1.45 0.00 0.32 2.02 -1.41 -3.31 112.91 113.06 1dt7 h THR 59 Ca 0.40 -1.78 0.00 0.00 0.77 0.00 0.00 66.41 65.80 1dt7 h THR 59 Cb 0.19 2.44 0.00 0.00 -1.74 0.00 0.00 68.15 69.04 1dt7 h THR 59 CO -0.15 0.50 -0.62 0.18 0.37 0.00 0.00 175.52 175.80 1dt7 n LEU 60 N -4.45 0.60 -3.12 2.58 4.77 -0.36 -4.28 117.00 112.74 1dt7 n LEU 60 Ca -0.09 0.12 -0.35 0.00 -0.03 0.00 0.00 56.01 55.67 1dt7 n LEU 60 Cb 0.50 -0.20 -0.05 0.00 -2.33 0.00 0.00 43.42 41.34 1dt7 n LEU 60 CO 0.41 0.02 3.14 -0.67 -1.33 0.00 0.00 177.39 178.97 1dt7 n ASP 61 N -1.86 8.22 0.13 -1.43 2.03 1.30 -4.50 116.55 120.44 1dt7 n ASP 61 Ca 0.04 -2.55 0.07 0.00 0.52 0.00 0.00 54.79 52.87 1dt7 n ASP 61 Cb 0.40 -1.53 0.55 0.00 -0.72 0.00 0.00 41.12 39.81 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 4.72 0.24 0.00 -0.67 5.08 -1.80 0.66 114.58 122.82 1dt7 h GLU 62 Ca 0.77 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 59.12 1dt7 h GLU 62 Cb 0.46 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1dt7 h GLU 62 CO 1.56 0.16 0.00 -0.25 -1.00 0.00 0.00 179.01 179.48 1dt7 n ASP 63 N -4.50 0.05 -2.27 1.42 8.00 -1.26 -4.88 116.55 113.11 1dt7 n ASP 63 Ca 0.01 0.51 -0.20 0.00 0.71 0.00 0.00 54.79 55.81 1dt7 n ASP 63 Cb 0.11 -0.52 -0.01 0.00 -0.02 0.00 0.00 41.12 40.68 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 1.17 -0.45 0.78 0.44 0.00 0.23 -4.86 105.19 102.51 1dt7 n GLY 64 Ca 0.06 -0.05 0.07 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.79 3.09 0.00 1.61 5.75 -1.26 -4.92 116.55 119.03 1dt7 n ASP 65 Ca -0.23 -1.98 0.00 0.00 -0.01 0.00 0.00 54.79 52.57 1dt7 n ASP 65 Cb 0.68 -0.27 0.00 0.00 -1.03 0.00 0.00 41.12 40.50 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 0.76 0.38 2.83 6.12 0.00 -1.26 -4.97 105.19 109.05 1dt7 n GLY 66 Ca 0.14 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.52 0.07 -0.19 1.61 2.02 -1.26 -3.13 118.70 117.30 1dt7 s GLU 67 Ca 0.00 0.07 -0.11 0.00 0.02 0.00 0.00 54.97 54.95 1dt7 s GLU 67 Cb 0.00 -0.20 -0.05 0.00 0.10 0.00 0.00 34.13 33.98 1dt7 s GLU 67 CO 0.00 -0.07 0.17 0.00 0.02 0.00 0.00 175.26 175.38 1dt7 s ASP 69 N 0.42 3.39 0.28 0.00 -1.08 -1.26 -1.84 116.67 116.58 1dt7 s ASP 69 Ca 0.10 1.37 0.01 0.00 -0.52 0.00 0.00 52.55 53.51 1dt7 s ASP 69 Cb -0.12 -2.05 0.54 0.00 -1.46 0.00 0.00 42.92 39.83 1dt7 s ASP 69 CO -0.00 -2.68 1.85 0.15 0.52 0.00 0.00 175.17 175.01 1dt7 h PHE 70 N -1.58 1.15 -0.34 -5.34 3.57 -1.92 0.61 116.94 113.10 1dt7 h PHE 70 Ca -0.50 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 60.95 1dt7 h PHE 70 Cb 1.29 -0.37 -0.02 0.00 2.79 0.00 0.00 35.95 39.65 1dt7 h PHE 70 CO 0.39 0.48 -0.11 -0.56 -2.23 0.00 0.00 178.31 176.28 1dt7 h GLN 71 N 1.02 0.58 -0.46 1.11 3.07 -1.94 -2.11 115.11 116.38 1dt7 h GLN 71 Ca 0.49 -0.17 -0.14 0.00 0.09 0.00 0.00 58.65 58.92 1dt7 h GLN 71 Cb 0.44 -0.06 -0.01 0.00 0.08 0.00 0.00 27.48 27.93 1dt7 h GLN 71 CO -0.25 0.68 -0.25 0.93 0.09 0.00 0.00 178.83 180.03 1dt7 h GLU 72 N 0.53 0.99 -0.32 0.06 5.08 -1.25 -2.96 114.58 116.71 1dt7 h GLU 72 Ca 0.10 -0.44 -0.09 0.00 -1.00 0.00 0.00 59.36 57.92 1dt7 h GLU 72 Cb 0.51 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 1dt7 h GLU 72 CO 0.03 1.12 -0.19 0.35 -1.00 0.00 0.00 179.01 179.32 1dt7 h PHE 73 N 0.84 0.66 -0.95 4.33 3.57 -1.03 -2.87 116.94 121.48 1dt7 h PHE 73 Ca 0.10 -0.13 0.01 0.00 3.53 0.00 0.00 57.97 61.48 1dt7 h PHE 73 Cb 0.84 -0.17 -0.05 0.00 2.79 0.00 0.00 35.95 39.36 1dt7 h PHE 73 CO 0.06 0.75 0.63 0.52 -2.23 0.00 0.00 178.31 178.04 1dt7 h MET 74 N 0.53 1.25 -0.14 1.11 2.86 -1.22 -2.14 114.93 117.19 1dt7 h MET 74 Ca 0.09 -0.08 -0.08 0.00 -2.06 0.00 0.00 59.70 57.57 1dt7 h MET 74 Cb 0.63 -0.28 -0.01 0.00 0.06 0.00 0.00 31.60 31.99 1dt7 h MET 74 CO 0.04 0.83 -0.28 0.00 1.06 0.00 0.00 176.91 178.56 1dt7 h ALA 75 N 1.41 1.26 -0.84 6.32 0.00 -1.40 -2.75 119.26 123.25 1dt7 h ALA 75 Ca 0.35 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 54.94 1dt7 h ALA 75 Cb -0.15 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.51 1dt7 h ALA 75 CO -0.08 0.50 0.56 0.35 0.00 0.00 0.00 179.25 180.58 1dt7 h PHE 76 N 0.24 1.06 -0.51 0.00 3.57 -1.37 -2.16 116.94 117.77 1dt7 h PHE 76 Ca 0.04 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.51 1dt7 h PHE 76 Cb 0.63 -0.36 -0.02 0.00 2.79 0.00 0.00 35.95 38.99 1dt7 h PHE 76 CO 0.01 0.66 0.12 0.28 -2.23 0.00 0.00 178.31 177.15 1dt7 h VAL 77 N 1.14 1.22 -0.63 1.41 2.07 -1.40 -2.43 116.25 117.63 1dt7 h VAL 77 Ca 0.31 -0.80 -0.09 0.00 0.82 0.00 0.00 66.70 66.94 1dt7 h VAL 77 Cb -0.13 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 30.32 1dt7 h VAL 77 CO -0.07 0.30 0.04 0.77 0.02 0.00 0.00 177.57 178.63 1dt7 h SER 78 N 0.76 1.06 -0.04 0.57 4.64 -1.38 -2.19 113.55 116.97 1dt7 h SER 78 Ca 0.17 -0.29 -0.26 0.00 -0.47 0.00 0.00 61.79 60.94 1dt7 h SER 78 Cb 0.29 -0.29 0.02 0.00 -0.31 0.00 0.00 62.40 62.12 1dt7 h SER 78 CO -0.00 1.09 -0.98 0.00 -0.87 0.00 0.00 176.83 176.07 1dt7 h MET 79 N 1.00 0.73 -0.50 4.77 -0.00 -1.43 -3.06 114.93 116.46 1dt7 h MET 79 Ca 0.18 -0.73 -0.08 0.00 -0.00 0.00 0.00 59.70 59.07 1dt7 h MET 79 Cb 0.52 0.20 -0.02 0.00 -0.00 0.00 0.00 31.60 32.30 1dt7 h MET 79 CO 0.03 1.31 -0.02 0.28 -0.00 0.00 0.00 176.91 178.51 1dt7 h VAL 80 N 0.44 1.25 -1.00 -0.10 2.07 -1.43 -2.55 116.25 114.92 1dt7 h VAL 80 Ca -0.11 -1.06 0.01 0.00 0.82 0.00 0.00 66.70 66.36 1dt7 h VAL 80 Cb 1.63 0.89 -0.05 0.00 -1.52 0.00 0.00 31.29 32.23 1dt7 h VAL 80 CO 0.19 0.38 0.66 0.74 0.02 0.00 0.00 177.57 179.56 1dt7 h THR 81 N 0.78 1.26 -0.87 2.57 2.02 -1.42 -0.30 112.91 116.95 1dt7 h THR 81 Ca 0.15 -0.47 0.14 0.00 0.77 0.00 0.00 66.41 67.00 1dt7 h THR 81 Cb 0.50 -0.22 -0.07 0.00 -1.74 0.00 0.00 68.15 66.62 1dt7 h THR 81 CO 0.02 0.25 0.56 0.74 0.37 0.00 0.00 175.52 177.47 1dt7 h THR 82 N 1.36 0.83 -0.94 3.16 2.02 -1.35 0.55 112.91 118.55 1dt7 h THR 82 Ca 0.37 -0.22 -0.01 0.00 0.77 0.00 0.00 66.41 67.32 1dt7 h THR 82 Cb -0.16 0.12 -0.04 0.00 -1.74 0.00 0.00 68.15 66.33 1dt7 h THR 82 CO -0.08 0.12 0.55 0.00 0.37 0.00 0.00 175.52 176.48 1dt7 h ALA 83 N 1.61 1.20 -0.42 6.16 0.00 -1.01 -1.47 119.26 125.33 1dt7 h ALA 83 Ca 0.44 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.24 1dt7 h ALA 83 Cb 0.74 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1dt7 h ALA 83 CO -0.19 0.67 0.28 0.00 0.00 0.00 0.00 179.25 180.00 1dt7 h HIS 85 N 0.52 1.13 -0.94 0.00 6.17 -0.67 1.19 115.15 122.55 1dt7 h HIS 85 Ca 0.16 0.03 -0.01 0.00 0.71 0.00 0.00 60.37 61.26 1dt7 h HIS 85 Cb -0.00 -0.38 -0.05 0.00 2.52 0.00 0.00 27.41 29.50 1dt7 h HIS 85 CO -0.00 0.71 0.56 0.93 0.71 0.00 0.00 177.93 180.83 1dt7 h GLU 86 N 1.22 1.29 -0.28 5.26 4.39 -1.20 -1.96 114.58 123.29 1dt7 h GLU 86 Ca 0.34 -0.12 -0.19 0.00 0.34 0.00 0.00 59.36 59.72 1dt7 h GLU 86 Cb -0.12 -0.27 0.00 0.00 -0.10 0.00 0.00 28.75 28.27 1dt7 h GLU 86 CO -0.08 0.91 -0.57 0.35 -1.16 0.00 0.00 179.01 178.46 1dt7 h PHE 87 N 1.30 1.11 0.00 4.33 3.57 -0.87 -3.27 116.94 123.12 1dt7 h PHE 87 Ca 0.34 -0.41 -0.46 0.00 3.53 0.00 0.00 57.97 60.97 1dt7 h PHE 87 Cb -0.04 -0.20 0.02 0.00 2.79 0.00 0.00 35.95 38.52 1dt7 h PHE 87 CO 0.01 1.24 2.90 0.34 -2.23 0.00 0.00 178.31 180.57 1dt7 n PHE 88 N -4.00 1.64 -1.56 0.41 -0.00 0.39 -4.87 117.46 109.48 1dt7 n PHE 88 Ca -0.05 -2.29 -0.38 0.00 -0.00 0.00 0.00 57.45 54.74 1dt7 n PHE 88 Cb 0.64 -1.92 -0.03 0.00 -0.00 0.00 0.00 39.48 38.17 1dt7 n PHE 88 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 1dt7 n GLU 89 N 3.94 1.20 -2.56 -4.13 1.02 -1.24 -4.86 120.64 114.01 1dt7 n GLU 89 Ca 0.55 0.10 -0.41 0.00 -0.02 0.00 0.00 57.16 57.38 1dt7 n GLU 89 Cb 0.18 -3.35 -0.03 0.00 -0.02 0.00 0.00 31.44 28.22 1dt7 n GLU 89 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1dt7 s HIS 90 N 11.37 2.34 0.00 -0.32 5.65 -1.26 -5.17 115.29 127.89 1dt7 s HIS 90 Ca 1.00 -0.20 0.00 0.00 0.25 0.00 0.00 55.06 56.10 1dt7 s HIS 90 Cb -0.24 -4.63 0.00 0.00 -1.18 0.00 0.00 32.58 26.53 1dt7 s HIS 90 CO 0.29 -2.04 0.02 0.39 -0.65 0.00 0.00 174.74 172.74