#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 -5.49 -0.63 6.12 7.64 -1.26 -4.75 113.62 115.25 1dt7 n SER 1 Ca 0.00 0.19 0.00 0.00 1.01 0.00 0.00 58.87 60.07 1dt7 n SER 1 Cb 0.00 -3.85 0.00 0.00 -1.01 0.00 0.00 64.21 59.35 1dt7 n SER 1 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1dt7 n GLU 2 N -0.35 0.78 0.10 1.43 0.28 -1.26 -3.81 120.64 117.81 1dt7 n GLU 2 Ca -0.08 0.00 -0.03 0.00 -0.16 0.00 0.00 57.16 56.89 1dt7 n GLU 2 Cb 0.54 -1.32 0.17 0.00 1.43 0.00 0.00 31.44 32.26 1dt7 n GLU 2 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 1dt7 h LEU 3 N 0.48 0.21 -0.81 -1.84 5.85 -2.00 -3.04 115.31 114.15 1dt7 h LEU 3 Ca 0.00 -0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.55 1dt7 h LEU 3 Cb 0.49 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.43 1dt7 h LEU 3 CO 0.00 0.71 0.24 1.05 -0.34 0.00 0.00 178.44 180.10 1dt7 h GLU 4 N 0.15 1.12 -0.15 1.25 9.09 -1.99 -1.76 114.58 122.29 1dt7 h GLU 4 Ca 0.00 -0.23 -0.17 0.00 0.05 0.00 0.00 59.36 59.01 1dt7 h GLU 4 Cb 1.00 -0.17 -0.00 0.00 -1.65 0.00 0.00 28.75 27.93 1dt7 h GLU 4 CO 0.08 0.95 -0.63 1.57 0.05 0.00 0.00 179.01 181.03 1dt7 h LYS 5 N 1.08 0.53 -0.56 1.06 2.10 -1.86 -2.99 116.57 115.92 1dt7 h LYS 5 Ca 0.24 -0.37 -0.11 0.00 -2.00 0.00 0.00 60.65 58.40 1dt7 h LYS 5 Cb 0.29 0.06 -0.02 0.00 -0.90 0.00 0.00 32.23 31.66 1dt7 h LYS 5 CO -0.01 0.99 -0.08 0.00 -2.00 0.00 0.00 179.45 178.35 1dt7 h ALA 6 N 0.92 0.77 -0.81 0.07 0.00 -1.38 -1.89 119.26 116.94 1dt7 h ALA 6 Ca -0.01 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.52 1dt7 h ALA 6 Cb 1.19 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.74 1dt7 h ALA 6 CO 0.12 0.67 0.35 0.52 0.00 0.00 0.00 179.25 180.90 1dt7 h MET 7 N 0.93 1.20 -0.76 0.00 2.86 -1.31 -2.02 114.93 115.82 1dt7 h MET 7 Ca 0.15 -0.20 -0.06 0.00 -2.06 0.00 0.00 59.70 57.53 1dt7 h MET 7 Cb 0.65 -0.20 -0.03 0.00 0.06 0.00 0.00 31.60 32.08 1dt7 h MET 7 CO 0.04 0.95 0.26 0.28 1.06 0.00 0.00 176.91 179.51 1dt7 h VAL 8 N 1.17 1.26 -0.55 -2.22 2.07 -1.37 -2.87 116.25 113.75 1dt7 h VAL 8 Ca 0.27 -0.89 -0.05 0.00 0.82 0.00 0.00 66.70 66.85 1dt7 h VAL 8 Cb 0.18 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 30.33 1dt7 h VAL 8 CO -0.03 0.35 0.13 0.00 0.02 0.00 0.00 177.57 178.04 1dt7 h ALA 9 N 1.15 1.19 -1.01 1.67 0.00 -0.66 -2.09 119.26 119.51 1dt7 h ALA 9 Ca 0.25 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1dt7 h ALA 9 Cb 0.28 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 1dt7 h ALA 9 CO -0.01 0.55 0.67 -0.07 0.00 0.00 0.00 179.25 180.39 1dt7 h LEU 10 N 0.81 1.16 -0.42 0.00 3.38 -1.18 -2.22 115.31 116.85 1dt7 h LEU 10 Ca 0.18 -0.03 -0.15 0.00 0.09 0.00 0.00 57.88 57.96 1dt7 h LEU 10 Cb 0.31 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1dt7 h LEU 10 CO -0.00 0.84 -0.35 0.40 0.09 0.00 0.00 178.44 179.42 1dt7 h ILE 11 N 1.37 1.27 -0.37 1.22 2.04 -1.45 -2.90 117.51 118.68 1dt7 h ILE 11 Ca 0.37 -1.52 0.00 0.00 1.00 0.00 0.00 64.86 64.71 1dt7 h ILE 11 Cb -0.16 1.32 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 1dt7 h ILE 11 CO -0.08 0.51 0.25 -0.78 0.00 0.00 0.00 178.15 178.05 1dt7 h ASP 12 N 0.79 0.43 -0.43 1.72 1.82 -0.78 -2.37 116.42 117.61 1dt7 h ASP 12 Ca 0.07 -0.01 -0.15 0.00 -0.39 0.00 0.00 57.03 56.56 1dt7 h ASP 12 Cb 0.94 -0.11 -0.01 0.00 0.68 0.00 0.00 39.33 40.83 1dt7 h ASP 12 CO 0.09 0.31 -0.31 0.58 -1.61 0.00 0.00 179.24 178.30 1dt7 h VAL 13 N 0.51 1.27 -0.87 2.25 2.07 -1.54 -2.89 116.25 117.04 1dt7 h VAL 13 Ca 0.14 -1.48 0.05 0.00 0.82 0.00 0.00 66.70 66.23 1dt7 h VAL 13 Cb -0.06 1.26 -0.05 0.00 -1.52 0.00 0.00 31.29 30.92 1dt7 h VAL 13 CO -0.03 0.50 0.57 0.15 0.02 0.00 0.00 177.57 178.78 1dt7 h PHE 14 N 0.81 1.02 0.00 1.57 3.04 -1.33 0.12 116.94 122.17 1dt7 h PHE 14 Ca 0.08 0.03 -0.04 0.00 3.98 0.00 0.00 57.97 62.02 1dt7 h PHE 14 Cb 0.90 -0.34 -0.01 0.00 2.56 0.00 0.00 35.95 39.06 1dt7 h PHE 14 CO 0.06 0.56 -0.20 0.45 -2.02 0.00 0.00 178.31 177.16 1dt7 h HIS 15 N 1.02 0.00 -0.66 0.41 3.86 -1.23 -1.93 115.15 116.62 1dt7 h HIS 15 Ca 0.36 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.58 1dt7 h HIS 15 Cb 0.13 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.57 1dt7 h HIS 15 CO -0.00 0.20 0.44 1.96 0.86 0.00 0.00 177.93 181.39 1dt7 h GLN 16 N 0.00 0.87 0.05 2.45 1.08 -0.80 -2.44 115.11 116.32 1dt7 h GLN 16 Ca -0.00 -0.05 -0.36 0.00 -1.45 0.00 0.00 58.65 56.79 1dt7 h GLN 16 Cb 0.65 -0.20 -0.04 0.00 -0.05 0.00 0.00 27.48 27.84 1dt7 h GLN 16 CO 0.03 0.58 -2.11 0.66 -0.95 0.00 0.00 178.83 177.04 1dt7 n TYR 17 N -4.62 0.74 -0.08 2.96 4.02 -1.18 -3.56 117.16 115.44 1dt7 n TYR 17 Ca 0.05 0.19 -0.09 0.00 -0.01 0.00 0.00 57.90 58.04 1dt7 n TYR 17 Cb 0.02 -1.11 -0.02 0.00 -0.02 0.00 0.00 39.34 38.21 1dt7 n TYR 17 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 1dt7 h SER 18 N 0.03 0.34 0.52 7.72 0.87 -1.40 -1.83 113.55 119.79 1dt7 h SER 18 Ca -0.45 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.10 1dt7 h SER 18 Cb 2.02 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.90 1dt7 h SER 18 CO 0.04 0.24 -0.01 0.61 -0.53 0.00 0.00 176.83 177.18 1dt7 n GLY 19 N -1.17 -1.24 0.08 5.77 0.00 -0.92 -3.10 105.19 104.60 1dt7 n GLY 19 Ca -0.01 -0.16 -0.11 0.00 0.00 0.00 0.00 46.02 45.74 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 0.05 0.15 0.00 1.61 2.43 -1.38 -3.37 114.38 113.87 1dt7 h ARG 20 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1dt7 h ARG 20 Cb 0.27 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 1dt7 h ARG 20 CO 0.00 0.10 0.00 0.39 -1.51 0.00 0.00 179.97 178.95 1dt7 n GLU 21 N -5.01 0.00 0.00 0.20 1.02 -1.25 -5.02 120.64 110.59 1dt7 n GLU 21 Ca -0.05 0.17 0.00 0.00 -0.02 0.00 0.00 57.16 57.26 1dt7 n GLU 21 Cb 0.03 -0.59 0.00 0.00 -0.02 0.00 0.00 31.44 30.86 1dt7 n GLU 21 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1dt7 n GLY 22 N 2.06 0.00 2.95 0.62 0.00 -1.23 -5.04 105.19 104.55 1dt7 n GLY 22 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 4.50 -0.12 1.61 8.00 -1.18 -4.70 116.55 124.66 1dt7 n ASP 23 Ca 0.00 -2.94 -0.13 0.00 0.71 0.00 0.00 54.79 52.42 1dt7 n ASP 23 Cb 0.00 -1.61 -0.02 0.00 -0.02 0.00 0.00 41.12 39.47 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 6.24 0.94 0.00 -1.24 1.57 -1.95 -3.12 116.57 119.01 1dt7 h LYS 24 Ca 0.48 -0.50 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1dt7 h LYS 24 Cb 0.69 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.02 1dt7 h LYS 24 CO 1.70 1.16 -0.00 0.45 -0.57 0.00 0.00 179.45 182.18 1dt7 h HIS 25 N 0.76 0.00 -3.94 -1.35 3.86 -1.92 -3.46 115.15 109.10 1dt7 h HIS 25 Ca 0.06 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.16 1dt7 h HIS 25 Cb 1.00 0.00 -0.16 0.00 1.06 0.00 0.00 27.41 29.31 1dt7 h HIS 25 CO 0.06 0.00 -0.52 -1.59 0.86 0.00 0.00 177.93 176.75 1dt7 s LYS 26 N -3.34 0.68 -0.07 2.45 -2.85 -1.18 -3.95 119.74 111.47 1dt7 s LYS 26 Ca 0.05 -0.96 0.05 0.00 -1.00 0.00 0.00 55.97 54.11 1dt7 s LYS 26 Cb 0.06 0.26 -0.01 0.00 -2.06 0.00 0.00 37.83 36.09 1dt7 s LYS 26 CO 0.63 -0.17 -0.24 -1.17 0.10 0.00 0.00 175.35 174.50 1dt7 s LEU 27 N -2.60 2.07 0.20 2.77 2.96 -0.71 -4.53 118.68 118.83 1dt7 s LEU 27 Ca 0.02 -0.53 -0.02 0.00 -0.22 0.00 0.00 54.13 53.38 1dt7 s LEU 27 Cb 0.04 -1.38 -0.05 0.00 0.50 0.00 0.00 46.19 45.30 1dt7 s LEU 27 CO -0.08 0.21 0.41 -0.54 -1.32 0.00 0.00 176.35 175.02 1dt7 s LYS 28 N 0.04 3.55 0.63 1.98 1.02 -1.26 -0.65 119.74 125.06 1dt7 s LYS 28 Ca -0.10 -0.25 0.25 0.00 0.02 0.00 0.00 55.97 55.90 1dt7 s LYS 28 Cb -0.15 -2.81 1.28 0.00 -0.52 0.00 0.00 37.83 35.62 1dt7 s LYS 28 CO 0.06 0.39 1.72 1.57 -0.92 0.00 0.00 175.35 178.17 1dt7 h LYS 29 N 2.12 0.00 0.06 1.68 2.10 -1.91 0.31 116.57 120.92 1dt7 h LYS 29 Ca -0.47 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.17 1dt7 h LYS 29 Cb 1.19 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.52 1dt7 h LYS 29 CO 0.69 0.00 -0.03 1.03 -2.00 0.00 0.00 179.45 179.14 1dt7 h SER 30 N 0.00 -0.07 -0.44 7.07 0.87 -1.91 -2.29 113.55 116.79 1dt7 h SER 30 Ca 0.13 -0.57 -0.04 0.00 -1.23 0.00 0.00 61.79 60.07 1dt7 h SER 30 Cb 1.27 0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 63.22 1dt7 h SER 30 CO -0.00 0.60 0.14 -0.33 -0.53 0.00 0.00 176.83 176.71 1dt7 h GLU 31 N -0.80 0.74 -0.73 2.24 5.08 -0.92 -2.44 114.58 117.75 1dt7 h GLU 31 Ca -0.01 -0.13 0.01 0.00 -1.00 0.00 0.00 59.36 58.23 1dt7 h GLU 31 Cb 0.64 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.73 1dt7 h GLU 31 CO 0.01 0.66 0.49 1.25 -1.00 0.00 0.00 179.01 180.42 1dt7 h LEU 32 N 0.72 0.84 -0.98 1.33 5.85 -0.73 -2.20 115.31 120.15 1dt7 h LEU 32 Ca 0.17 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.87 1dt7 h LEU 32 Cb 0.24 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.01 1dt7 h LEU 32 CO -0.01 0.61 0.63 0.50 -0.34 0.00 0.00 178.44 179.83 1dt7 h LYS 33 N 0.99 1.31 -0.43 1.25 3.64 -0.91 -2.17 116.57 120.25 1dt7 h LYS 33 Ca 0.27 -0.10 -0.10 0.00 -1.27 0.00 0.00 60.65 59.46 1dt7 h LYS 33 Cb -0.12 -0.29 -0.02 0.00 -0.41 0.00 0.00 32.23 31.40 1dt7 h LYS 33 CO -0.06 0.89 -0.13 0.93 -2.27 0.00 0.00 179.45 178.81 1dt7 h GLU 34 N 1.34 0.78 0.00 1.90 4.39 -1.29 0.39 114.58 122.09 1dt7 h GLU 34 Ca 0.36 -0.27 -0.00 0.00 0.34 0.00 0.00 59.36 59.79 1dt7 h GLU 34 Cb -0.11 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.48 1dt7 h GLU 34 CO -0.07 0.87 -0.00 1.25 -1.16 0.00 0.00 179.01 179.90 1dt7 h LEU 35 N 0.70 -0.00 -0.05 1.33 6.46 -0.90 -1.03 115.31 121.83 1dt7 h LEU 35 Ca 0.12 -0.13 -0.10 0.00 -0.12 0.00 0.00 57.88 57.64 1dt7 h LEU 35 Cb 0.62 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 40.55 1dt7 h LEU 35 CO 0.04 0.13 -0.37 0.40 -0.62 0.00 0.00 178.44 178.02 1dt7 h ILE 36 N -0.13 1.43 -0.40 4.05 2.04 -1.25 0.57 117.51 123.83 1dt7 h ILE 36 Ca -0.00 -1.82 -0.14 0.00 1.00 0.00 0.00 64.86 63.90 1dt7 h ILE 36 Cb 0.13 2.41 -0.01 0.00 -0.74 0.00 0.00 36.82 38.61 1dt7 h ILE 36 CO 0.00 0.52 -0.31 -1.13 0.00 0.00 0.00 178.15 177.23 1dt7 h ASN 37 N -0.16 0.93 0.06 1.72 -0.73 -0.28 -2.93 115.58 114.18 1dt7 h ASN 37 Ca -0.03 -0.39 -0.37 0.00 1.87 0.00 0.00 56.30 57.38 1dt7 h ASN 37 Cb 1.05 -0.26 -0.06 0.00 0.27 0.00 0.00 38.32 39.31 1dt7 h ASN 37 CO 0.08 1.16 -2.33 -3.20 -0.37 0.00 0.00 177.43 172.77 1dt7 n ASN 38 N -4.08 1.11 0.03 1.15 5.15 -0.39 -3.63 115.26 114.60 1dt7 n ASN 38 Ca -0.01 0.00 0.13 0.00 -0.60 0.00 0.00 54.58 54.10 1dt7 n ASN 38 Cb 0.50 0.14 0.35 0.00 -0.53 0.00 0.00 39.78 40.23 1dt7 n ASN 38 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 1dt7 n GLU 39 N -3.06 0.12 -2.66 1.20 4.07 0.19 -4.06 120.64 116.44 1dt7 n GLU 39 Ca -0.37 0.05 -0.09 0.00 -0.06 0.00 0.00 57.16 56.69 1dt7 n GLU 39 Cb 1.07 -1.59 0.03 0.00 -0.06 0.00 0.00 31.44 30.89 1dt7 n GLU 39 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 1dt7 n LEU 40 N -1.77 1.89 -0.23 4.31 4.77 -1.11 -4.86 117.00 120.00 1dt7 n LEU 40 Ca 0.05 -3.75 -0.08 0.00 -0.03 0.00 0.00 56.01 52.20 1dt7 n LEU 40 Cb 0.38 0.33 0.04 0.00 -2.33 0.00 0.00 43.42 41.83 1dt7 n LEU 40 CO 0.33 1.54 0.89 0.77 -1.33 0.00 0.00 177.39 179.59 1dt7 h SER 41 N 2.86 1.06 0.00 -1.43 4.64 -1.70 -3.09 113.55 115.88 1dt7 h SER 41 Ca -0.05 -0.27 -0.09 0.00 -0.47 0.00 0.00 61.79 60.91 1dt7 h SER 41 Cb 1.18 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 62.97 1dt7 h SER 41 CO 0.48 1.06 -1.33 0.00 -0.87 0.00 0.00 176.83 176.16 1dt7 n HIS 42 N -4.22 0.00 -0.28 4.77 1.44 -1.26 -3.95 115.22 111.72 1dt7 n HIS 42 Ca 0.04 0.00 -0.03 0.00 -2.01 0.00 0.00 57.72 55.72 1dt7 n HIS 42 Cb 0.30 -0.24 0.14 0.00 0.12 0.00 0.00 29.99 30.31 1dt7 n HIS 42 CO 0.00 0.00 0.00 0.35 -2.81 0.00 0.00 176.34 173.88 1dt7 h PHE 43 N 0.00 1.12 -3.19 -1.40 3.57 -1.90 -3.44 116.94 111.71 1dt7 h PHE 43 Ca -0.13 -0.03 -0.37 0.00 3.53 0.00 0.00 57.97 60.97 1dt7 h PHE 43 Cb 1.28 -0.36 -0.14 0.00 2.79 0.00 0.00 35.95 39.52 1dt7 h PHE 43 CO 0.00 0.78 -0.72 -1.17 -2.23 0.00 0.00 178.31 174.97 1dt7 s LEU 44 N -9.81 2.54 -0.22 0.59 2.96 -1.17 -5.06 118.68 108.51 1dt7 s LEU 44 Ca -0.12 -1.02 -0.33 0.00 -0.22 0.00 0.00 54.13 52.45 1dt7 s LEU 44 Cb 0.17 -0.48 -0.09 0.00 0.50 0.00 0.00 46.19 46.29 1dt7 s LEU 44 CO 0.82 -0.27 2.10 1.21 -1.32 0.00 0.00 176.35 178.89 1dt7 n GLU 45 N -0.27 1.73 -1.89 1.98 4.07 -1.26 -4.47 120.64 120.53 1dt7 n GLU 45 Ca -0.09 0.54 -0.37 0.00 -0.06 0.00 0.00 57.16 57.18 1dt7 n GLU 45 Cb 0.60 -2.78 0.04 0.00 -0.06 0.00 0.00 31.44 29.25 1dt7 n GLU 45 CO 0.00 0.00 0.00 -2.00 -0.06 0.00 0.00 177.13 175.07 1dt7 s GLU 46 N 5.59 2.89 -0.25 5.31 2.12 -1.25 -4.96 118.70 128.15 1dt7 s GLU 46 Ca 1.01 1.98 -0.21 0.00 0.36 0.00 0.00 54.97 58.11 1dt7 s GLU 46 Cb -0.63 -1.98 -0.02 0.00 0.26 0.00 0.00 34.13 31.76 1dt7 s GLU 46 CO 0.45 -1.31 0.66 0.42 -0.54 0.00 0.00 175.26 174.95 1dt7 s ILE 47 N -1.47 4.96 -1.56 -3.70 -1.09 -1.26 -4.90 121.20 112.18 1dt7 s ILE 47 Ca 0.78 1.20 0.23 0.00 -2.23 0.00 0.00 60.65 60.62 1dt7 s ILE 47 Cb -0.34 -3.96 -0.06 0.00 -1.58 0.00 0.00 42.46 36.52 1dt7 s ILE 47 CO 0.38 0.02 1.10 0.29 -1.23 0.00 0.00 174.94 175.49 1dt7 n LYS 48 N 5.73 0.64 -3.86 2.79 4.76 -1.26 -4.86 118.16 122.09 1dt7 n LYS 48 Ca 0.00 -0.51 -0.12 0.00 -2.87 0.00 0.00 58.31 54.81 1dt7 n LYS 48 Cb 0.49 -1.49 -0.14 0.00 -1.84 0.00 0.00 35.03 32.05 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 -2.71 0.00 0.55 1.97 2.02 -1.26 -5.01 118.70 114.27 1dt7 s GLU 49 Ca 0.15 0.02 0.32 0.00 0.02 0.00 0.00 54.97 55.48 1dt7 s GLU 49 Cb 0.17 -0.04 1.57 0.00 0.10 0.00 0.00 34.13 35.94 1dt7 s GLU 49 CO 0.68 -0.02 2.08 0.37 0.02 0.00 0.00 175.26 178.40 1dt7 h GLN 50 N 6.30 0.00 -0.96 1.61 -0.00 -2.01 -2.70 115.11 117.34 1dt7 h GLN 50 Ca -0.27 0.00 0.01 0.00 -0.00 0.00 0.00 58.65 58.39 1dt7 h GLN 50 Cb 1.20 0.00 -0.05 0.00 0.00 0.00 0.00 27.48 28.63 1dt7 h GLN 50 CO 0.51 0.07 0.63 1.05 0.00 0.00 0.00 178.83 181.09 1dt7 h GLU 51 N 0.00 1.27 -1.00 1.69 4.11 -2.00 -1.40 114.58 117.24 1dt7 h GLU 51 Ca -0.00 -0.08 0.01 0.00 0.07 0.00 0.00 59.36 59.36 1dt7 h GLU 51 Cb 0.36 -0.28 -0.05 0.00 0.50 0.00 0.00 28.75 29.28 1dt7 h GLU 51 CO 0.01 0.84 0.66 0.28 0.07 0.00 0.00 179.01 180.87 1dt7 h VAL 52 N 1.30 1.26 -0.74 -1.06 2.07 -1.91 -1.73 116.25 115.43 1dt7 h VAL 52 Ca 0.35 -0.47 -0.06 0.00 0.82 0.00 0.00 66.70 67.34 1dt7 h VAL 52 Cb -0.15 -0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 29.38 1dt7 h VAL 52 CO -0.08 0.25 0.22 0.58 0.02 0.00 0.00 177.57 178.56 1dt7 h VAL 53 N 1.36 1.26 -0.89 2.57 2.07 -1.39 -1.80 116.25 119.43 1dt7 h VAL 53 Ca 0.37 -0.94 -0.02 0.00 0.82 0.00 0.00 66.70 66.93 1dt7 h VAL 53 Cb -0.16 0.46 -0.04 0.00 -1.52 0.00 0.00 31.29 30.03 1dt7 h VAL 53 CO -0.08 0.37 0.48 -0.78 0.02 0.00 0.00 177.57 177.58 1dt7 h ASP 54 N 1.11 1.13 -0.61 0.57 1.82 -0.68 0.05 116.42 119.81 1dt7 h ASP 54 Ca 0.24 -0.11 -0.10 0.00 -0.39 0.00 0.00 57.03 56.67 1dt7 h ASP 54 Cb 0.33 -0.29 -0.02 0.00 0.68 0.00 0.00 39.33 40.03 1dt7 h ASP 54 CO -0.00 0.91 -0.00 0.50 -1.61 0.00 0.00 179.24 179.03 1dt7 h LYS 55 N 1.26 1.08 -0.21 0.28 3.64 -1.10 -1.35 116.57 120.17 1dt7 h LYS 55 Ca 0.31 -0.35 -0.04 0.00 -1.27 0.00 0.00 60.65 59.31 1dt7 h LYS 55 Cb 0.04 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 1dt7 h LYS 55 CO -0.05 1.05 -0.04 0.28 -2.27 0.00 0.00 179.45 178.42 1dt7 h VAL 56 N 0.99 1.16 0.00 2.00 2.07 -0.65 -0.95 116.25 120.86 1dt7 h VAL 56 Ca 0.17 -0.64 -0.10 0.00 0.82 0.00 0.00 66.70 66.95 1dt7 h VAL 56 Cb 0.57 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 1dt7 h VAL 56 CO 0.03 0.21 -0.49 0.24 0.02 0.00 0.00 177.57 177.58 1dt7 h MET 57 N 0.30 0.00 -0.85 1.57 2.86 0.06 0.72 114.93 119.59 1dt7 h MET 57 Ca 0.07 0.00 0.09 0.00 -2.06 0.00 0.00 59.70 57.80 1dt7 h MET 57 Cb 0.28 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 31.88 1dt7 h MET 57 CO 0.01 0.49 0.55 1.49 1.06 0.00 0.00 176.91 180.51 1dt7 h GLU 58 N 0.00 0.82 0.10 1.72 4.81 -0.32 3.39 114.58 125.10 1dt7 h GLU 58 Ca -0.00 -0.05 -0.15 0.00 -0.13 0.00 0.00 59.36 59.02 1dt7 h GLU 58 Cb 0.87 -0.19 0.02 0.00 0.63 0.00 0.00 28.75 30.08 1dt7 h GLU 58 CO 0.06 0.54 -0.65 1.15 -0.73 0.00 0.00 179.01 179.39 1dt7 h THR 59 N 0.85 1.54 0.00 0.32 2.02 -1.27 -3.35 112.91 113.02 1dt7 h THR 59 Ca 0.38 -2.42 0.00 0.00 0.77 0.00 0.00 66.41 65.15 1dt7 h THR 59 Cb 0.37 3.12 0.00 0.00 -1.74 0.00 0.00 68.15 69.90 1dt7 h THR 59 CO -0.15 0.68 -0.62 0.18 0.37 0.00 0.00 175.52 175.98 1dt7 n LEU 60 N -4.22 0.69 -3.40 2.58 4.77 0.16 -4.25 117.00 113.33 1dt7 n LEU 60 Ca -0.13 0.23 -0.40 0.00 -0.03 0.00 0.00 56.01 55.68 1dt7 n LEU 60 Cb 0.74 -0.18 -0.02 0.00 -2.33 0.00 0.00 43.42 41.62 1dt7 n LEU 60 CO 0.46 -0.05 3.20 -0.67 -1.33 0.00 0.00 177.39 179.00 1dt7 n ASP 61 N -2.10 7.84 -0.35 -1.43 -0.08 1.12 -4.59 116.55 116.97 1dt7 n ASP 61 Ca 0.03 -2.66 -0.01 0.00 -1.51 0.00 0.00 54.79 50.64 1dt7 n ASP 61 Cb 0.44 -1.56 0.14 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 5.15 1.25 -0.00 -0.67 5.08 -1.80 0.27 114.58 123.87 1dt7 h GLU 62 Ca 0.81 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 59.09 1dt7 h GLU 62 Cb 0.35 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1dt7 h GLU 62 CO 1.78 0.83 -0.04 -0.40 -1.00 0.00 0.00 179.01 180.18 1dt7 n ASP 63 N -4.40 0.09 -2.21 1.42 5.75 -1.26 -4.91 116.55 111.03 1dt7 n ASP 63 Ca 0.12 -0.02 -0.16 0.00 -0.01 0.00 0.00 54.79 54.72 1dt7 n ASP 63 Cb 0.03 -0.29 0.03 0.00 -1.03 0.00 0.00 41.12 39.85 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 1.36 -0.15 0.71 6.12 0.00 0.08 -4.90 105.19 108.41 1dt7 n GLY 64 Ca 0.12 -0.14 0.08 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 -1.25 2.51 0.00 1.61 5.75 -1.26 -4.93 116.55 118.98 1dt7 n ASP 65 Ca -0.07 -1.73 0.00 0.00 -0.01 0.00 0.00 54.79 52.97 1dt7 n ASP 65 Cb 0.58 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.63 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 0.96 0.75 2.90 6.12 0.00 -1.26 -4.99 105.19 109.67 1dt7 n GLY 66 Ca 0.11 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.96 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 0.39 -0.22 1.61 2.02 -1.26 -2.97 118.70 118.26 1dt7 s GLU 67 Ca 0.00 -0.09 -0.11 0.00 0.02 0.00 0.00 54.97 54.79 1dt7 s GLU 67 Cb 0.00 -0.43 -0.05 0.00 0.10 0.00 0.00 34.13 33.75 1dt7 s GLU 67 CO 0.00 0.01 0.19 0.00 0.02 0.00 0.00 175.26 175.48 1dt7 s ASP 69 N 0.89 4.54 0.33 0.00 1.01 -1.26 -1.75 116.67 120.43 1dt7 s ASP 69 Ca 0.09 1.82 0.11 0.00 0.71 0.00 0.00 52.55 55.28 1dt7 s ASP 69 Cb -0.13 -2.52 0.94 0.00 1.01 0.00 0.00 42.92 42.22 1dt7 s ASP 69 CO 0.04 -2.01 1.71 0.15 0.21 0.00 0.00 175.17 175.27 1dt7 h PHE 70 N -1.10 0.99 -0.51 4.23 3.57 -1.90 0.51 116.94 122.73 1dt7 h PHE 70 Ca -0.44 0.04 -0.11 0.00 3.53 0.00 0.00 57.97 60.99 1dt7 h PHE 70 Cb 1.23 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 39.67 1dt7 h PHE 70 CO 0.58 -0.00 -0.11 -0.56 -2.23 0.00 0.00 178.31 175.99 1dt7 h GLN 71 N 0.51 0.95 -0.62 1.11 3.07 -1.91 -1.89 115.11 116.33 1dt7 h GLN 71 Ca 0.67 -0.34 -0.10 0.00 0.09 0.00 0.00 58.65 58.97 1dt7 h GLN 71 Cb 1.35 -0.07 -0.02 0.00 0.08 0.00 0.00 27.48 28.82 1dt7 h GLN 71 CO -0.51 1.00 0.00 0.93 0.09 0.00 0.00 178.83 180.35 1dt7 h GLU 72 N 0.85 1.09 -0.08 0.06 5.08 -0.37 -2.71 114.58 118.50 1dt7 h GLU 72 Ca 0.14 -0.34 -0.10 0.00 -1.00 0.00 0.00 59.36 58.06 1dt7 h GLU 72 Cb 0.65 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 1dt7 h GLU 72 CO 0.04 1.05 -0.39 0.35 -1.00 0.00 0.00 179.01 179.07 1dt7 h PHE 73 N 0.99 0.19 -0.76 4.33 3.57 -0.95 -2.75 116.94 121.57 1dt7 h PHE 73 Ca 0.18 -0.05 0.01 0.00 3.53 0.00 0.00 57.97 61.64 1dt7 h PHE 73 Cb 0.56 -0.04 -0.04 0.00 2.79 0.00 0.00 35.95 39.22 1dt7 h PHE 73 CO 0.04 0.53 0.50 0.52 -2.23 0.00 0.00 178.31 177.67 1dt7 h MET 74 N 0.14 0.99 -0.21 1.11 2.86 -1.01 -1.62 114.93 117.19 1dt7 h MET 74 Ca 0.01 -0.06 -0.10 0.00 -2.06 0.00 0.00 59.70 57.49 1dt7 h MET 74 Cb 0.75 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 32.17 1dt7 h MET 74 CO 0.06 0.66 -0.31 0.00 1.06 0.00 0.00 176.91 178.38 1dt7 h ALA 75 N 1.53 1.08 -0.99 6.32 0.00 -1.42 -2.92 119.26 122.86 1dt7 h ALA 75 Ca 0.28 -0.37 0.01 0.00 0.00 0.00 0.00 54.91 54.83 1dt7 h ALA 75 Cb -0.12 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.52 1dt7 h ALA 75 CO -0.06 0.57 0.66 0.35 0.00 0.00 0.00 179.25 180.77 1dt7 h PHE 76 N 0.37 1.25 -0.77 0.00 3.57 -1.28 -2.19 116.94 117.88 1dt7 h PHE 76 Ca 0.05 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.58 1dt7 h PHE 76 Cb 0.73 -0.42 -0.04 0.00 2.79 0.00 0.00 35.95 39.01 1dt7 h PHE 76 CO 0.02 0.79 0.51 0.28 -2.23 0.00 0.00 178.31 177.68 1dt7 h VAL 77 N 1.34 1.20 -0.54 1.41 2.07 -1.35 -1.91 116.25 118.47 1dt7 h VAL 77 Ca 0.36 -0.36 -0.12 0.00 0.82 0.00 0.00 66.70 67.40 1dt7 h VAL 77 Cb -0.15 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 29.66 1dt7 h VAL 77 CO -0.08 0.19 -0.13 0.28 0.02 0.00 0.00 177.57 177.85 1dt7 h SER 78 N 1.05 1.05 0.00 0.57 0.02 -1.41 -2.18 113.55 112.65 1dt7 h SER 78 Ca 0.28 -0.36 -0.00 0.00 -0.84 0.00 0.00 61.79 60.87 1dt7 h SER 78 Cb -0.12 -0.29 0.00 0.00 0.14 0.00 0.00 62.40 62.14 1dt7 h SER 78 CO -0.06 1.17 -0.00 0.24 -1.14 0.00 0.00 176.83 177.03 1dt7 h MET 79 N 0.91 -0.00 -0.16 3.45 2.07 -1.06 -2.33 114.93 117.82 1dt7 h MET 79 Ca 0.14 0.00 -0.11 0.00 -2.07 0.00 0.00 59.70 57.65 1dt7 h MET 79 Cb 0.71 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 30.43 1dt7 h MET 79 CO 0.05 0.09 -0.40 0.28 1.07 0.00 0.00 176.91 178.00 1dt7 h VAL 80 N -0.09 1.31 -0.98 -2.22 2.07 -1.42 -2.78 116.25 112.14 1dt7 h VAL 80 Ca -0.00 -1.53 0.00 0.00 0.82 0.00 0.00 66.70 65.99 1dt7 h VAL 80 Cb 0.09 1.63 -0.05 0.00 -1.52 0.00 0.00 31.29 31.44 1dt7 h VAL 80 CO 0.00 0.47 0.62 0.74 0.02 0.00 0.00 177.57 179.42 1dt7 h THR 81 N 0.30 1.26 -0.97 2.57 2.02 -1.23 -1.11 112.91 115.75 1dt7 h THR 81 Ca 0.03 -0.52 0.13 0.00 0.77 0.00 0.00 66.41 66.82 1dt7 h THR 81 Cb 0.84 -0.15 -0.08 0.00 -1.74 0.00 0.00 68.15 67.01 1dt7 h THR 81 CO 0.07 0.26 0.61 0.74 0.37 0.00 0.00 175.52 177.57 1dt7 h THR 82 N 1.34 0.88 -0.95 3.16 2.02 -1.13 0.36 112.91 118.59 1dt7 h THR 82 Ca 0.36 -0.30 0.01 0.00 0.77 0.00 0.00 66.41 67.24 1dt7 h THR 82 Cb -0.11 -0.08 -0.05 0.00 -1.74 0.00 0.00 68.15 66.18 1dt7 h THR 82 CO -0.07 0.16 0.63 0.00 0.37 0.00 0.00 175.52 176.61 1dt7 h ALA 83 N 1.57 1.32 -0.61 6.16 0.00 -1.21 -0.86 119.26 125.62 1dt7 h ALA 83 Ca 0.48 -0.07 0.10 0.00 0.00 0.00 0.00 54.91 55.42 1dt7 h ALA 83 Cb 0.58 -0.39 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 1dt7 h ALA 83 CO -0.25 0.63 0.41 0.00 0.00 0.00 0.00 179.25 180.04 1dt7 h HIS 85 N 0.44 1.11 -0.79 0.00 6.17 -0.88 1.76 115.15 122.96 1dt7 h HIS 85 Ca 0.28 0.02 0.01 0.00 0.71 0.00 0.00 60.37 61.39 1dt7 h HIS 85 Cb 0.53 -0.37 -0.04 0.00 2.52 0.00 0.00 27.41 30.04 1dt7 h HIS 85 CO -0.00 0.70 0.52 1.49 0.71 0.00 0.00 177.93 181.35 1dt7 h GLU 86 N 1.19 1.04 0.21 5.26 4.57 -0.65 -2.51 114.58 123.69 1dt7 h GLU 86 Ca 0.32 -0.06 -0.34 0.00 -1.18 0.00 0.00 59.36 58.10 1dt7 h GLU 86 Cb -0.13 -0.23 0.02 0.00 -0.16 0.00 0.00 28.75 28.24 1dt7 h GLU 86 CO -0.07 0.69 -1.62 0.74 -1.18 0.00 0.00 179.01 177.57 1dt7 h PHE 87 N 1.07 0.82 -2.20 0.92 0.04 -0.80 -3.37 116.94 113.43 1dt7 h PHE 87 Ca 0.29 -0.60 -0.77 0.00 2.80 0.00 0.00 57.97 59.69 1dt7 h PHE 87 Cb -0.12 -0.03 -0.20 0.00 2.20 0.00 0.00 35.95 37.79 1dt7 h PHE 87 CO -0.00 1.61 1.38 1.19 -0.60 0.00 0.00 178.31 181.89 1dt7 n PHE 88 N -3.64 3.61 -2.63 -0.55 3.72 0.58 -4.94 117.46 113.61 1dt7 n PHE 88 Ca -0.21 -3.03 -0.42 0.00 -0.05 0.00 0.00 57.45 53.74 1dt7 n PHE 88 Cb 1.09 -1.83 -0.03 0.00 -0.94 0.00 0.00 39.48 37.77 1dt7 n PHE 88 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 1dt7 s GLU 89 N -0.24 3.20 -0.78 -1.08 0.41 -1.15 -4.66 118.70 114.39 1dt7 s GLU 89 Ca 0.37 -0.45 -0.25 0.00 -0.41 0.00 0.00 54.97 54.23 1dt7 s GLU 89 Cb 0.03 -4.26 0.05 0.00 -1.78 0.00 0.00 34.13 28.16 1dt7 s GLU 89 CO 0.02 -2.07 1.24 -1.58 -0.49 0.00 0.00 175.26 172.39 1dt7 s HIS 90 N 5.24 2.43 -2.00 1.61 5.65 -1.26 -5.16 115.29 121.81 1dt7 s HIS 90 Ca 0.32 -0.34 0.19 0.00 0.25 0.00 0.00 55.06 55.48 1dt7 s HIS 90 Cb -0.10 -4.57 1.11 0.00 -1.18 0.00 0.00 32.58 27.85 1dt7 s HIS 90 CO 0.12 -1.95 1.51 -0.85 -0.65 0.00 0.00 174.74 172.92