#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 -5.44 0.00 7.83 2.88 -1.26 -4.80 113.62 112.84 1dt7 n SER 1 Ca 0.00 0.40 0.11 0.00 -1.33 0.00 0.00 58.87 58.05 1dt7 n SER 1 Cb 0.00 -4.64 0.55 0.00 -0.75 0.00 0.00 64.21 59.37 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 0.27 -0.04 -1.46 1.02 -1.26 -3.75 120.64 112.91 1dt7 n GLU 2 Ca -0.20 0.08 0.21 0.00 -0.02 0.00 0.00 57.16 57.23 1dt7 n GLU 2 Cb 0.66 -1.50 0.41 0.00 -0.02 0.00 0.00 31.44 30.99 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 -0.44 -4.62 5.85 -1.98 0.79 115.31 114.91 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 41.26 1dt7 h LEU 3 CO 0.00 0.00 -0.39 -0.08 -0.34 0.00 0.00 178.44 177.63 1dt7 h GLU 4 N 0.00 0.88 -0.02 1.25 4.81 -1.98 -2.28 114.58 117.24 1dt7 h GLU 4 Ca 0.33 -0.46 -0.18 0.00 -0.13 0.00 0.00 59.36 58.92 1dt7 h GLU 4 Cb 2.39 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 31.77 1dt7 h GLU 4 CO -0.00 1.11 -0.80 1.57 -0.73 0.00 0.00 179.01 180.15 1dt7 h LYS 5 N 0.72 0.22 -0.22 1.92 2.10 0.29 -3.07 116.57 118.53 1dt7 h LYS 5 Ca 0.06 -0.22 -0.07 0.00 -2.00 0.00 0.00 60.65 58.43 1dt7 h LYS 5 Cb 0.97 0.05 -0.01 0.00 -0.90 0.00 0.00 32.23 32.35 1dt7 h LYS 5 CO 0.09 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 -0.94 0.07 0.00 -1.44 -2.07 119.26 116.22 1dt7 h ALA 6 Ca -0.03 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 1dt7 h ALA 6 Cb 1.40 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 19.06 1dt7 h ALA 6 CO 0.12 0.17 0.56 0.52 0.00 0.00 0.00 179.25 180.62 1dt7 h MET 7 N 0.18 1.29 -0.33 0.00 2.86 -1.46 -2.02 114.93 115.45 1dt7 h MET 7 Ca 0.05 -0.12 -0.10 0.00 -2.06 0.00 0.00 59.70 57.47 1dt7 h MET 7 Cb 0.62 -0.27 -0.02 0.00 0.06 0.00 0.00 31.60 32.00 1dt7 h MET 7 CO 0.03 0.91 -0.20 0.28 1.06 0.00 0.00 176.91 179.00 1dt7 h VAL 8 N 1.30 1.26 -0.27 -2.22 2.07 -1.47 -3.02 116.25 113.90 1dt7 h VAL 8 Ca 0.34 -1.23 -0.13 0.00 0.82 0.00 0.00 66.70 66.50 1dt7 h VAL 8 Cb -0.04 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 1dt7 h VAL 8 CO -0.06 0.40 -0.35 0.00 0.02 0.00 0.00 177.57 177.58 1dt7 h ALA 9 N 1.23 0.88 -1.01 1.67 0.00 -0.68 -2.42 119.26 118.94 1dt7 h ALA 9 Ca 0.09 -0.42 0.01 0.00 0.00 0.00 0.00 54.91 54.59 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 0.50 1.16 -0.48 0.00 3.38 -1.28 -2.08 115.31 116.50 1dt7 h LEU 10 Ca 0.05 -0.03 -0.13 0.00 0.09 0.00 0.00 57.88 57.86 1dt7 h LEU 10 Cb 0.85 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 1dt7 h LEU 10 CO 0.07 0.84 -0.22 0.40 0.09 0.00 0.00 178.44 179.62 1dt7 h ILE 11 N 1.37 1.27 -0.13 1.22 2.04 -1.51 -2.86 117.51 118.91 1dt7 h ILE 11 Ca 0.37 -1.38 0.00 0.00 1.00 0.00 0.00 64.86 64.85 1dt7 h ILE 11 Cb -0.16 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 1dt7 h ILE 11 CO -0.08 0.48 0.08 -0.78 0.00 0.00 0.00 178.15 177.85 1dt7 h ASP 12 N 0.86 0.14 -0.42 1.72 1.82 -0.88 -2.74 116.42 116.91 1dt7 h ASP 12 Ca 0.11 -0.00 -0.15 0.00 -0.39 0.00 0.00 57.03 56.60 1dt7 h ASP 12 Cb 0.80 -0.03 -0.01 0.00 0.68 0.00 0.00 39.33 40.77 1dt7 h ASP 12 CO 0.07 0.10 -0.33 0.58 -1.61 0.00 0.00 179.24 178.05 1dt7 h VAL 13 N 0.17 1.27 -0.76 2.25 2.07 -1.53 -3.03 116.25 116.69 1dt7 h VAL 13 Ca 0.05 -1.50 0.04 0.00 0.82 0.00 0.00 66.70 66.11 1dt7 h VAL 13 Cb -0.02 1.29 -0.04 0.00 -1.52 0.00 0.00 31.29 31.00 1dt7 h VAL 13 CO -0.01 0.51 0.50 0.15 0.02 0.00 0.00 177.57 178.74 1dt7 h PHE 14 N 0.80 0.89 0.00 1.57 3.57 -1.43 -0.25 116.94 122.09 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 0.92 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.36 1dt7 h PHE 14 CO 0.06 0.51 -0.29 0.45 -2.23 0.00 0.00 178.31 176.81 1dt7 h HIS 15 N 0.91 0.00 -0.78 0.41 3.86 -1.37 -1.65 115.15 116.54 1dt7 h HIS 15 Ca 0.31 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 0.51 1.96 0.86 0.00 0.00 177.93 181.55 1dt7 h GLN 16 N 0.00 1.03 0.00 2.45 1.08 -0.97 -2.98 115.11 115.71 1dt7 h GLN 16 Ca -0.00 -0.07 -0.30 0.00 -1.45 0.00 0.00 58.65 56.83 1dt7 h GLN 16 Cb 0.69 -0.23 -0.06 0.00 -0.05 0.00 0.00 27.48 27.83 1dt7 h GLN 16 CO 0.04 0.69 -2.06 0.66 -0.95 0.00 0.00 178.83 177.20 1dt7 n TYR 17 N -4.53 0.40 -0.38 2.96 4.02 -1.17 -4.03 117.16 114.42 1dt7 n TYR 17 Ca 0.08 0.14 -0.02 0.00 -0.01 0.00 0.00 57.90 58.09 1dt7 n TYR 17 Cb 0.02 -1.04 0.11 0.00 -0.02 0.00 0.00 39.34 38.42 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 -1.31 0.14 113.55 121.20 1dt7 h SER 18 Ca -0.40 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 1dt7 h SER 18 Cb 2.04 -0.29 0.00 0.00 0.14 0.00 0.00 62.40 64.29 1dt7 h SER 18 CO 0.04 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 -1.13 -2.60 105.19 95.91 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 0.95 0.02 -0.05 1.61 9.65 -1.10 -2.96 114.38 122.49 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 28.78 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 -0.03 0.20 -0.58 -1.26 -4.92 120.64 111.00 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 0.39 2.69 0.62 0.00 -1.12 -4.97 105.19 104.02 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 4.90 -0.01 1.61 8.00 -1.07 -4.64 116.55 125.33 1dt7 n ASP 23 Ca 0.00 -2.86 -0.08 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 39.60 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 5.77 0.59 0.00 -1.24 1.57 -1.91 -3.02 116.57 118.32 1dt7 h LYS 24 Ca 0.58 -0.30 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 1dt7 h LYS 24 Cb 0.58 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.89 1dt7 h LYS 24 CO 1.82 0.89 0.00 0.45 -0.57 0.00 0.00 179.45 182.03 1dt7 h HIS 25 N 0.48 0.00 -3.95 -1.35 3.86 -1.89 -3.47 115.15 108.84 1dt7 h HIS 25 Ca 0.04 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.14 1dt7 h HIS 25 Cb 0.91 0.00 -0.15 0.00 1.06 0.00 0.00 27.41 29.23 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 0.70 -0.11 2.45 -2.85 -1.14 -4.32 119.74 111.17 1dt7 s LYS 26 Ca 0.06 -1.00 0.03 0.00 -1.00 0.00 0.00 55.97 54.05 1dt7 s LYS 26 Cb 0.06 0.27 -0.01 0.00 -2.06 0.00 0.00 37.83 36.09 1dt7 s LYS 26 CO 0.64 -0.18 -0.20 -1.17 0.10 0.00 0.00 175.35 174.54 1dt7 s LEU 27 N -2.71 2.32 -0.04 2.77 2.96 -0.77 -4.59 118.68 118.62 1dt7 s LEU 27 Ca 0.03 -0.47 -0.05 0.00 -0.22 0.00 0.00 54.13 53.42 1dt7 s LEU 27 Cb 0.05 -1.48 -0.04 0.00 0.50 0.00 0.00 46.19 45.21 1dt7 s LEU 27 CO -0.09 0.17 0.19 -0.75 -1.32 0.00 0.00 176.35 174.54 1dt7 s LYS 28 N 0.32 3.47 0.63 1.98 2.20 -1.26 -0.83 119.74 126.25 1dt7 s LYS 28 Ca -0.16 -0.22 0.17 0.00 -0.36 0.00 0.00 55.97 55.39 1dt7 s LYS 28 Cb -0.17 -3.12 0.61 0.00 -1.51 0.00 0.00 37.83 33.64 1dt7 s LYS 28 CO 0.08 0.70 1.23 1.57 -0.36 0.00 0.00 175.35 178.56 1dt7 h LYS 29 N 4.15 0.00 0.21 4.03 2.10 -1.93 0.47 116.57 125.60 1dt7 h LYS 29 Ca -0.51 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 -0.10 1.03 -2.00 0.00 0.00 179.45 179.03 1dt7 h SER 30 N 0.00 -0.24 -0.25 7.07 0.87 -1.91 -2.30 113.55 116.78 1dt7 h SER 30 Ca 0.28 -0.28 -0.03 0.00 -1.23 0.00 0.00 61.79 60.53 1dt7 h SER 30 Cb 2.44 0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 64.44 1dt7 h SER 30 CO -0.00 0.27 0.07 -0.33 -0.53 0.00 0.00 176.83 176.31 1dt7 h GLU 31 N -0.90 0.49 -0.50 2.24 5.08 -0.49 -2.38 114.58 118.12 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 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 1dt7 h GLU 31 CO 0.05 0.47 0.33 1.25 -1.00 0.00 0.00 179.01 180.11 1dt7 h LEU 32 N 0.49 0.58 -0.84 1.33 5.85 -1.21 -1.75 115.31 119.76 1dt7 h LEU 32 Ca 0.11 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.78 1dt7 h LEU 32 Cb 0.21 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.06 1dt7 h LEU 32 CO -0.00 0.42 0.37 0.50 -0.34 0.00 0.00 178.44 179.39 1dt7 h LYS 33 N 0.68 1.22 0.00 1.25 3.64 -0.90 -2.00 116.57 120.46 1dt7 h LYS 33 Ca 0.18 -0.20 -0.06 0.00 -1.27 0.00 0.00 60.65 59.30 1dt7 h LYS 33 Cb -0.08 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.53 1dt7 h LYS 33 CO -0.04 0.96 -0.29 1.49 -2.27 0.00 0.00 179.45 179.29 1dt7 h GLU 34 N 1.20 0.00 -0.14 1.90 4.57 -1.15 0.13 114.58 121.09 1dt7 h GLU 34 Ca 0.28 0.00 -0.11 0.00 -1.18 0.00 0.00 59.36 58.36 1dt7 h GLU 34 Cb 0.16 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.75 1dt7 h GLU 34 CO -0.03 0.29 -0.33 1.25 -1.18 0.00 0.00 179.01 179.02 1dt7 h LEU 35 N 0.00 0.53 -0.06 1.64 6.46 -0.69 0.40 115.31 123.59 1dt7 h LEU 35 Ca -0.00 -0.57 -0.02 0.00 -0.12 0.00 0.00 57.88 57.16 1dt7 h LEU 35 Cb 0.55 -0.15 -0.00 0.00 -0.73 0.00 0.00 40.66 40.32 1dt7 h LEU 35 CO 0.04 1.00 -0.06 0.40 -0.62 0.00 0.00 178.44 179.21 1dt7 h ILE 36 N 0.08 1.37 0.01 4.05 2.04 -1.01 0.20 117.51 124.25 1dt7 h ILE 36 Ca -0.00 -1.20 -0.20 0.00 1.00 0.00 0.00 64.86 64.46 1dt7 h ILE 36 Cb 0.93 2.05 -0.02 0.00 -0.74 0.00 0.00 36.82 39.04 1dt7 h ILE 36 CO 0.07 0.33 -0.92 0.78 0.00 0.00 0.00 178.15 178.41 1dt7 h ASN 37 N -0.30 0.09 0.02 1.72 2.35 -0.85 -3.05 115.58 115.57 1dt7 h ASN 37 Ca 0.01 -0.08 -0.39 0.00 -0.55 0.00 0.00 56.30 55.29 1dt7 h ASN 37 Cb 0.56 -0.03 -0.06 0.00 0.05 0.00 0.00 38.32 38.84 1dt7 h ASN 37 CO 0.01 0.95 -2.39 -3.20 -1.65 0.00 0.00 177.43 171.16 1dt7 n ASN 38 N -3.52 2.01 0.12 5.81 4.05 0.12 -4.14 115.26 119.71 1dt7 n ASN 38 Ca -0.02 -0.07 0.12 0.00 0.45 0.00 0.00 54.58 55.06 1dt7 n ASN 38 Cb 0.85 -0.50 0.06 0.00 1.23 0.00 0.00 39.78 41.43 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 0.01 0.00 -1.44 1.20 4.57 -0.59 -3.34 114.58 114.98 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 1.92 0.00 -0.40 0.00 -0.16 0.00 0.00 28.75 30.11 1dt7 h GLU 39 CO -0.06 0.00 -0.47 1.28 -1.18 0.00 0.00 179.01 178.58 1dt7 n LEU 40 N -2.69 5.19 -0.36 1.64 4.77 -1.04 -4.84 117.00 119.67 1dt7 n LEU 40 Ca 0.01 -5.07 -0.02 0.00 -0.03 0.00 0.00 56.01 50.90 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 2.55 1.12 0.00 -1.43 4.64 -1.72 -3.32 113.55 115.38 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 0.91 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 1dt7 h SER 41 CO 0.93 0.81 -0.52 1.57 -0.87 0.00 0.00 176.83 178.75 1dt7 n HIS 42 N -4.40 0.00 -0.17 4.77 -0.00 -1.26 -4.65 115.22 109.51 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 0.01 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 0.96 -4.05 1.57 3.57 -1.89 -3.44 116.94 113.66 1dt7 h PHE 43 Ca 0.00 -0.09 -0.17 0.00 3.53 0.00 0.00 57.97 61.23 1dt7 h PHE 43 Cb 0.03 -0.28 -0.18 0.00 2.79 0.00 0.00 35.95 38.31 1dt7 h PHE 43 CO 0.00 0.79 -0.70 -1.17 -2.23 0.00 0.00 178.31 175.00 1dt7 s LEU 44 N -9.41 2.38 -0.13 0.59 2.96 -1.25 -5.08 118.68 108.74 1dt7 s LEU 44 Ca -0.10 -0.77 -0.29 0.00 -0.22 0.00 0.00 54.13 52.75 1dt7 s LEU 44 Cb 0.15 0.08 -0.06 0.00 0.50 0.00 0.00 46.19 46.86 1dt7 s LEU 44 CO 0.81 -0.42 2.08 -0.70 -1.32 0.00 0.00 176.35 176.80 1dt7 s GLU 45 N -2.76 3.55 1.23 1.98 2.12 -1.26 -4.60 118.70 118.96 1dt7 s GLU 45 Ca -0.02 2.22 -0.19 0.00 0.36 0.00 0.00 54.97 57.33 1dt7 s GLU 45 Cb -0.01 -4.27 0.30 0.00 0.26 0.00 0.00 34.13 30.40 1dt7 s GLU 45 CO -0.05 -1.63 1.07 -1.83 -0.54 0.00 0.00 175.26 172.29 1dt7 s GLU 46 N 5.54 -1.45 -0.11 4.30 1.03 -1.26 -5.02 118.70 121.73 1dt7 s GLU 46 Ca 0.94 0.04 -0.02 0.00 0.03 0.00 0.00 54.97 55.96 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 -3.88 -0.04 0.42 -1.33 0.00 0.00 175.26 170.80 1dt7 s ILE 47 N -2.85 3.90 -0.04 1.83 1.01 -1.26 -5.00 121.20 118.79 1dt7 s ILE 47 Ca 0.70 -0.38 0.20 0.00 0.00 0.00 0.00 60.65 61.17 1dt7 s ILE 47 Cb -0.11 -2.66 -0.30 0.00 0.01 0.00 0.00 42.46 39.40 1dt7 s ILE 47 CO 0.57 0.55 0.40 0.29 0.00 0.00 0.00 174.94 176.75 1dt7 n LYS 48 N 2.80 0.64 -5.15 2.79 4.76 -1.26 -4.78 118.16 117.96 1dt7 n LYS 48 Ca -0.18 -0.16 -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 32.10 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 -3.29 2.26 0.47 1.97 2.02 -1.26 -5.00 118.70 115.87 1dt7 s GLU 49 Ca -0.07 -0.84 0.31 0.00 0.02 0.00 0.00 54.97 54.38 1dt7 s GLU 49 Cb 0.12 -2.17 1.20 0.00 0.10 0.00 0.00 34.13 33.38 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 5.44 0.00 -0.63 1.61 -0.00 -2.01 -3.03 115.11 116.49 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 0.03 1.05 -0.00 0.00 0.00 178.83 180.39 1dt7 h GLU 51 N 0.00 1.09 -1.00 0.06 4.11 -2.00 -2.22 114.58 114.62 1dt7 h GLU 51 Ca 0.00 -0.33 0.01 0.00 0.07 0.00 0.00 59.36 59.11 1dt7 h GLU 51 Cb 0.52 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.62 1dt7 h GLU 51 CO 0.00 1.04 0.66 0.28 0.07 0.00 0.00 179.01 181.06 1dt7 h VAL 52 N 1.00 1.26 -0.92 -1.06 2.07 -1.96 -1.03 116.25 115.60 1dt7 h VAL 52 Ca 0.18 -0.47 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 1dt7 h VAL 52 Cb 0.53 -0.21 -0.04 0.00 -1.52 0.00 0.00 31.29 30.05 1dt7 h VAL 52 CO 0.03 0.25 0.52 0.58 0.02 0.00 0.00 177.57 178.96 1dt7 h VAL 53 N 1.35 1.26 -0.88 2.57 2.07 -1.53 -1.74 116.25 119.35 1dt7 h VAL 53 Ca 0.37 -0.62 -0.02 0.00 0.82 0.00 0.00 66.70 67.24 1dt7 h VAL 53 Cb -0.16 0.01 -0.04 0.00 -1.52 0.00 0.00 31.29 29.58 1dt7 h VAL 53 CO -0.08 0.29 0.46 0.44 0.02 0.00 0.00 177.57 178.70 1dt7 h ASP 54 N 1.28 1.12 -0.66 0.57 3.32 -0.63 -0.20 116.42 121.22 1dt7 h ASP 54 Ca 0.32 -0.11 -0.09 0.00 0.02 0.00 0.00 57.03 57.18 1dt7 h ASP 54 Cb 0.00 -0.29 -0.03 0.00 0.22 0.00 0.00 39.33 39.24 1dt7 h ASP 54 CO -0.05 0.91 0.07 0.50 -1.72 0.00 0.00 179.24 178.95 1dt7 h LYS 55 N 1.25 1.11 -0.13 3.56 3.64 -0.82 -1.35 116.57 123.83 1dt7 h LYS 55 Ca 0.31 -0.32 -0.06 0.00 -1.27 0.00 0.00 60.65 59.31 1dt7 h LYS 55 Cb 0.06 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 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 1.03 1.20 -0.12 2.00 2.07 -0.74 -1.95 116.25 119.74 1dt7 h VAL 56 Ca 0.20 -0.89 -0.12 0.00 0.82 0.00 0.00 66.70 66.70 1dt7 h VAL 56 Cb 0.48 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 1dt7 h VAL 56 CO 0.02 0.27 -0.46 0.24 0.02 0.00 0.00 177.57 177.66 1dt7 h MET 57 N 0.21 0.30 -0.93 1.57 2.86 -0.01 -0.83 114.93 118.09 1dt7 h MET 57 Ca 0.04 -0.16 0.06 0.00 -2.06 0.00 0.00 59.70 57.58 1dt7 h MET 57 Cb 0.44 0.01 -0.06 0.00 0.06 0.00 0.00 31.60 32.05 1dt7 h MET 57 CO 0.03 0.71 0.61 1.49 1.06 0.00 0.00 176.91 180.80 1dt7 h GLU 58 N 0.24 1.04 -0.05 1.72 4.81 -0.49 3.95 114.58 125.81 1dt7 h GLU 58 Ca 0.02 -0.06 -0.09 0.00 -0.13 0.00 0.00 59.36 59.09 1dt7 h GLU 58 Cb 0.91 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 30.06 1dt7 h GLU 58 CO 0.08 0.69 -0.32 1.15 -0.73 0.00 0.00 179.01 179.87 1dt7 h THR 59 N 1.08 1.45 0.00 0.32 2.02 -1.41 -3.32 112.91 113.05 1dt7 h THR 59 Ca 0.40 -1.79 0.00 0.00 0.77 0.00 0.00 66.41 65.79 1dt7 h THR 59 Cb 0.18 2.45 0.00 0.00 -1.74 0.00 0.00 68.15 69.03 1dt7 h THR 59 CO -0.15 0.51 -0.63 0.18 0.37 0.00 0.00 175.52 175.80 1dt7 n LEU 60 N -4.43 0.61 -3.12 2.58 4.77 -0.36 -4.29 117.00 112.75 1dt7 n LEU 60 Ca -0.09 0.12 -0.35 0.00 -0.03 0.00 0.00 56.01 55.66 1dt7 n LEU 60 Cb 0.51 -0.20 -0.05 0.00 -2.33 0.00 0.00 43.42 41.35 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 -1.87 8.20 0.13 -1.43 2.03 1.30 -4.50 116.55 120.42 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 39.82 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 4.75 0.24 0.00 -0.67 5.08 -1.80 0.67 114.58 122.85 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 0.45 -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 -4.51 0.08 -2.23 1.42 8.00 -1.26 -4.88 116.55 113.18 1dt7 n ASP 63 Ca 0.00 0.51 -0.20 0.00 0.71 0.00 0.00 54.79 55.82 1dt7 n ASP 63 Cb 0.10 -0.53 -0.01 0.00 -0.02 0.00 0.00 41.12 40.66 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 -0.42 0.79 0.44 0.00 0.23 -4.86 105.19 102.54 1dt7 n GLY 64 Ca 0.06 -0.06 0.07 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.73 3.11 0.00 1.61 5.75 -1.26 -4.92 116.55 119.11 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 -0.28 0.00 0.00 -1.03 0.00 0.00 41.12 40.49 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 0.78 0.37 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 -0.55 0.04 -0.19 1.61 2.02 -1.26 -3.13 118.70 117.24 1dt7 s GLU 67 Ca 0.00 0.08 -0.11 0.00 0.02 0.00 0.00 54.97 54.96 1dt7 s GLU 67 Cb 0.00 -0.18 -0.05 0.00 0.10 0.00 0.00 34.13 34.00 1dt7 s GLU 67 CO 0.00 -0.08 0.18 0.00 0.02 0.00 0.00 175.26 175.38 1dt7 s ASP 69 N 0.43 3.37 0.28 0.00 -1.08 -1.26 -1.85 116.67 116.55 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 -2.04 0.53 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 0.00 175.17 175.00 1dt7 h PHE 70 N -1.58 1.16 -0.31 -5.34 3.57 -1.92 0.70 116.94 113.22 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 1.30 -0.37 -0.02 0.00 2.79 0.00 0.00 35.95 39.65 1dt7 h PHE 70 CO 0.39 0.49 -0.13 -0.56 -2.23 0.00 0.00 178.31 176.27 1dt7 h GLN 71 N 1.04 0.53 -0.45 1.11 3.07 -1.94 -2.09 115.11 116.38 1dt7 h GLN 71 Ca 0.49 -0.16 -0.14 0.00 0.09 0.00 0.00 58.65 58.92 1dt7 h GLN 71 Cb 0.43 -0.05 -0.01 0.00 0.08 0.00 0.00 27.48 27.92 1dt7 h GLN 71 CO -0.25 0.66 -0.28 0.93 0.09 0.00 0.00 178.83 179.98 1dt7 h GLU 72 N 0.49 0.98 -0.33 0.06 5.08 -1.23 -2.96 114.58 116.66 1dt7 h GLU 72 Ca 0.09 -0.45 -0.09 0.00 -1.00 0.00 0.00 59.36 57.90 1dt7 h GLU 72 Cb 0.52 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 1dt7 h GLU 72 CO 0.03 1.12 -0.17 0.35 -1.00 0.00 0.00 179.01 179.34 1dt7 h PHE 73 N 0.82 0.67 -0.95 4.33 3.57 -1.01 -2.87 116.94 121.50 1dt7 h PHE 73 Ca 0.09 -0.13 0.01 0.00 3.53 0.00 0.00 57.97 61.47 1dt7 h PHE 73 Cb 0.87 -0.17 -0.05 0.00 2.79 0.00 0.00 35.95 39.39 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 0.55 1.25 -0.14 1.11 2.86 -1.22 -2.12 114.93 117.21 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 0.61 -0.28 -0.01 0.00 0.06 0.00 0.00 31.60 31.98 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 -0.81 6.32 0.00 -1.40 -2.75 119.26 123.29 1dt7 h ALA 75 Ca 0.35 -0.32 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 0.49 0.53 0.35 0.00 0.00 0.00 179.25 180.55 1dt7 h PHE 76 N 0.24 1.02 -0.51 0.00 3.57 -1.37 -2.15 116.94 117.75 1dt7 h PHE 76 Ca 0.04 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.50 1dt7 h PHE 76 Cb 0.62 -0.34 -0.02 0.00 2.79 0.00 0.00 35.95 38.99 1dt7 h PHE 76 CO 0.01 0.65 0.10 0.28 -2.23 0.00 0.00 178.31 177.11 1dt7 h VAL 77 N 1.10 1.22 -0.65 1.41 2.07 -1.41 -2.44 116.25 117.56 1dt7 h VAL 77 Ca 0.30 -0.84 -0.09 0.00 0.82 0.00 0.00 66.70 66.89 1dt7 h VAL 77 Cb -0.12 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 1dt7 h VAL 77 CO -0.06 0.31 0.05 0.77 0.02 0.00 0.00 177.57 178.66 1dt7 h SER 78 N 0.75 1.07 -0.02 0.57 4.64 -1.38 -2.17 113.55 117.01 1dt7 h SER 78 Ca 0.16 -0.28 -0.26 0.00 -0.47 0.00 0.00 61.79 60.94 1dt7 h SER 78 Cb 0.32 -0.29 0.02 0.00 -0.31 0.00 0.00 62.40 62.14 1dt7 h SER 78 CO 0.00 1.09 -1.01 0.00 -0.87 0.00 0.00 176.83 176.05 1dt7 h MET 79 N 1.02 0.72 -0.51 4.77 -0.00 -1.43 -3.06 114.93 116.44 1dt7 h MET 79 Ca 0.19 -0.75 -0.08 0.00 -0.00 0.00 0.00 59.70 59.06 1dt7 h MET 79 Cb 0.51 0.20 -0.02 0.00 -0.00 0.00 0.00 31.60 32.29 1dt7 h MET 79 CO 0.02 1.32 0.00 0.28 -0.00 0.00 0.00 176.91 178.54 1dt7 h VAL 80 N 0.42 1.25 -1.00 -0.10 2.07 -1.43 -2.56 116.25 114.90 1dt7 h VAL 80 Ca -0.12 -1.04 0.01 0.00 0.82 0.00 0.00 66.70 66.37 1dt7 h VAL 80 Cb 1.66 0.85 -0.05 0.00 -1.52 0.00 0.00 31.29 32.23 1dt7 h VAL 80 CO 0.20 0.37 0.66 0.74 0.02 0.00 0.00 177.57 179.56 1dt7 h THR 81 N 0.80 1.26 -0.86 2.57 2.02 -1.42 -0.29 112.91 116.99 1dt7 h THR 81 Ca 0.15 -0.47 0.14 0.00 0.77 0.00 0.00 66.41 67.01 1dt7 h THR 81 Cb 0.48 -0.22 -0.07 0.00 -1.74 0.00 0.00 68.15 66.60 1dt7 h THR 81 CO 0.02 0.25 0.56 0.74 0.37 0.00 0.00 175.52 177.46 1dt7 h THR 82 N 1.36 0.83 -0.92 3.16 2.02 -1.35 0.53 112.91 118.55 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 0.13 -0.04 0.00 -1.74 0.00 0.00 68.15 66.34 1dt7 h THR 82 CO -0.08 0.12 0.53 0.00 0.37 0.00 0.00 175.52 176.46 1dt7 h ALA 83 N 1.61 1.20 -0.37 6.16 0.00 -1.01 -1.47 119.26 125.38 1dt7 h ALA 83 Ca 0.43 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1dt7 h ALA 83 Cb 0.73 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1dt7 h ALA 83 CO -0.19 0.66 0.24 0.00 0.00 0.00 0.00 179.25 179.97 1dt7 h HIS 85 N 0.49 1.18 -0.93 0.00 6.17 -0.68 1.16 115.15 122.55 1dt7 h HIS 85 Ca 0.13 0.03 -0.01 0.00 0.71 0.00 0.00 60.37 61.23 1dt7 h HIS 85 Cb -0.05 -0.40 -0.04 0.00 2.52 0.00 0.00 27.41 29.43 1dt7 h HIS 85 CO -0.00 0.74 0.54 0.93 0.71 0.00 0.00 177.93 180.85 1dt7 h GLU 86 N 1.27 1.28 -0.27 5.26 4.39 -1.20 -2.03 114.58 123.28 1dt7 h GLU 86 Ca 0.34 -0.13 -0.19 0.00 0.34 0.00 0.00 59.36 59.72 1dt7 h GLU 86 Cb -0.15 -0.26 0.00 0.00 -0.10 0.00 0.00 28.75 28.24 1dt7 h GLU 86 CO -0.07 0.91 -0.58 0.35 -1.16 0.00 0.00 179.01 178.46 1dt7 h PHE 87 N 1.29 1.09 0.00 4.33 3.57 -0.87 -3.27 116.94 123.08 1dt7 h PHE 87 Ca 0.33 -0.40 -0.48 0.00 3.53 0.00 0.00 57.97 60.95 1dt7 h PHE 87 Cb -0.02 -0.20 0.02 0.00 2.79 0.00 0.00 35.95 38.54 1dt7 h PHE 87 CO 0.01 1.23 3.05 0.34 -2.23 0.00 0.00 178.31 180.71 1dt7 n PHE 88 N -3.99 1.74 -1.56 0.41 -0.00 0.39 -4.87 117.46 109.58 1dt7 n PHE 88 Ca -0.05 -2.38 -0.37 0.00 -0.00 0.00 0.00 57.45 54.65 1dt7 n PHE 88 Cb 0.64 -1.97 -0.03 0.00 -0.00 0.00 0.00 39.48 38.12 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 3.96 1.20 -2.55 -4.13 1.02 -1.24 -4.86 120.64 114.04 1dt7 n GLU 89 Ca 0.57 0.09 -0.41 0.00 -0.02 0.00 0.00 57.16 57.40 1dt7 n GLU 89 Cb 0.17 -3.39 -0.03 0.00 -0.02 0.00 0.00 31.44 28.17 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 11.49 2.33 -2.72 -0.32 5.65 -1.26 -5.17 115.29 125.29 1dt7 s HIS 90 Ca 0.99 -0.19 0.26 0.00 0.25 0.00 0.00 55.06 56.37 1dt7 s HIS 90 Cb -0.22 -4.64 0.68 0.00 -1.18 0.00 0.00 32.58 27.22 1dt7 s HIS 90 CO 0.28 -2.05 1.54 0.39 -0.65 0.00 0.00 174.74 174.24