#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 -4.19 -0.19 7.83 7.64 -1.26 -4.73 113.62 118.71 1dt7 n SER 1 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1dt7 n SER 1 Cb 0.00 -3.06 0.00 0.00 -1.01 0.00 0.00 64.21 60.14 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 -0.01 0.82 -0.37 1.43 0.28 -1.26 -3.85 120.64 117.68 1dt7 n GLU 2 Ca 0.00 0.00 -0.02 0.00 -0.16 0.00 0.00 57.16 56.98 1dt7 n GLU 2 Cb 0.34 -1.16 0.11 0.00 1.43 0.00 0.00 31.44 32.16 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 0.07 1.13 -1.15 -1.84 7.12 -2.00 -1.80 115.31 116.85 1dt7 h LEU 3 Ca 0.00 -0.03 0.01 0.00 0.13 0.00 0.00 57.88 57.99 1dt7 h LEU 3 Cb 0.16 -0.28 -0.04 0.00 -0.53 0.00 0.00 40.66 39.97 1dt7 h LEU 3 CO 0.00 0.81 0.58 1.05 -0.13 0.00 0.00 178.44 180.75 1dt7 h GLU 4 N 1.33 1.14 -0.23 1.25 4.11 -1.99 -2.01 114.58 118.18 1dt7 h GLU 4 Ca 0.37 -0.07 -0.14 0.00 0.07 0.00 0.00 59.36 59.59 1dt7 h GLU 4 Cb -0.13 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 28.85 1dt7 h GLU 4 CO -0.09 0.76 -0.44 0.87 0.07 0.00 0.00 179.01 180.18 1dt7 h LYS 5 N 1.18 0.59 -0.52 1.06 1.57 -1.65 -2.81 116.57 115.99 1dt7 h LYS 5 Ca 0.32 -0.32 -0.12 0.00 -1.87 0.00 0.00 60.65 58.66 1dt7 h LYS 5 Cb -0.13 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 1dt7 h LYS 5 CO -0.07 0.91 -0.16 0.00 -0.57 0.00 0.00 179.45 179.56 1dt7 h ALA 6 N 1.04 0.72 -0.43 3.86 0.00 -0.70 -1.88 119.26 121.86 1dt7 h ALA 6 Ca 0.03 -0.37 -0.15 0.00 0.00 0.00 0.00 54.91 54.42 1dt7 h ALA 6 Cb 0.96 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1dt7 h ALA 6 CO 0.09 0.68 -0.30 0.52 0.00 0.00 0.00 179.25 180.23 1dt7 h MET 7 N 0.90 0.97 -0.53 0.00 2.86 -1.38 -2.29 114.93 115.45 1dt7 h MET 7 Ca 0.13 -0.46 -0.06 0.00 -2.06 0.00 0.00 59.70 57.25 1dt7 h MET 7 Cb 0.74 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.37 1dt7 h MET 7 CO 0.06 1.13 0.09 0.28 1.06 0.00 0.00 176.91 179.52 1dt7 h VAL 8 N 0.81 1.23 -0.12 -2.22 2.07 -1.40 -2.73 116.25 113.91 1dt7 h VAL 8 Ca 0.09 -0.89 -0.16 0.00 0.82 0.00 0.00 66.70 66.56 1dt7 h VAL 8 Cb 0.89 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 1dt7 h VAL 8 CO 0.08 0.33 -0.60 0.00 0.02 0.00 0.00 177.57 177.40 1dt7 h ALA 9 N 1.30 0.75 -0.96 1.67 0.00 -1.17 -2.38 119.26 118.47 1dt7 h ALA 9 Ca 0.17 -0.54 0.01 0.00 0.00 0.00 0.00 54.91 54.55 1dt7 h ALA 9 Cb 0.35 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 1dt7 h ALA 9 CO 0.01 0.71 0.63 1.25 0.00 0.00 0.00 179.25 181.85 1dt7 h LEU 10 N 0.29 1.09 -0.38 0.00 7.12 -1.11 -2.27 115.31 120.06 1dt7 h LEU 10 Ca -0.00 -0.03 -0.16 0.00 0.13 0.00 0.00 57.88 57.81 1dt7 h LEU 10 Cb 1.13 -0.27 -0.01 0.00 -0.53 0.00 0.00 40.66 40.99 1dt7 h LEU 10 CO 0.10 0.78 -0.41 0.40 -0.13 0.00 0.00 178.44 179.19 1dt7 h ILE 11 N 1.28 1.27 -0.78 4.05 2.04 -1.36 -3.15 117.51 120.86 1dt7 h ILE 11 Ca 0.35 -1.58 0.01 0.00 1.00 0.00 0.00 64.86 64.64 1dt7 h ILE 11 Cb -0.13 1.41 -0.04 0.00 -0.74 0.00 0.00 36.82 37.32 1dt7 h ILE 11 CO -0.08 0.53 0.52 0.44 0.00 0.00 0.00 178.15 179.55 1dt7 h ASP 12 N 0.76 0.90 -0.29 1.72 3.32 -0.88 -2.85 116.42 119.09 1dt7 h ASP 12 Ca 0.06 -0.02 -0.16 0.00 0.02 0.00 0.00 57.03 56.92 1dt7 h ASP 12 Cb 1.01 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.33 1dt7 h ASP 12 CO 0.10 0.65 -0.42 1.62 -1.72 0.00 0.00 179.24 179.47 1dt7 h VAL 13 N 1.06 1.28 -1.01 -1.35 3.04 -1.55 -3.06 116.25 114.66 1dt7 h VAL 13 Ca 0.29 -1.60 0.05 0.00 -1.01 0.00 0.00 66.70 64.43 1dt7 h VAL 13 Cb -0.12 1.47 -0.06 0.00 -2.01 0.00 0.00 31.29 30.56 1dt7 h VAL 13 CO -0.06 0.53 0.65 0.15 -1.01 0.00 0.00 177.57 177.83 1dt7 h PHE 14 N 0.68 1.22 0.00 3.17 3.57 -1.47 0.94 116.94 125.06 1dt7 h PHE 14 Ca 0.05 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.55 1dt7 h PHE 14 Cb 1.00 -0.40 -0.00 0.00 2.79 0.00 0.00 35.95 39.33 1dt7 h PHE 14 CO 0.06 0.66 -0.15 1.25 -2.23 0.00 0.00 178.31 177.90 1dt7 h HIS 15 N 1.22 0.00 -1.00 0.41 2.76 -1.41 -2.00 115.15 115.13 1dt7 h HIS 15 Ca 0.42 0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.60 1dt7 h HIS 15 Cb 0.10 0.00 -0.05 0.00 1.55 0.00 0.00 27.41 29.01 1dt7 h HIS 15 CO -0.00 0.15 0.66 0.37 -1.30 0.00 0.00 177.93 177.81 1dt7 h GLN 16 N 0.00 1.31 0.01 5.26 5.75 -0.75 -3.05 115.11 123.64 1dt7 h GLN 16 Ca -0.00 -0.08 -0.34 0.00 -0.15 0.00 0.00 58.65 58.08 1dt7 h GLN 16 Cb 0.31 -0.30 -0.06 0.00 1.07 0.00 0.00 27.48 28.51 1dt7 h GLN 16 CO 0.02 0.87 -2.12 0.66 -2.65 0.00 0.00 178.83 175.61 1dt7 n TYR 17 N -4.39 0.43 -0.38 3.99 4.02 -1.04 -4.09 117.16 115.71 1dt7 n TYR 17 Ca 0.12 0.15 -0.02 0.00 -0.01 0.00 0.00 57.90 58.14 1dt7 n TYR 17 Cb 0.01 -1.08 0.11 0.00 -0.02 0.00 0.00 39.34 38.36 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 0.00 7.72 0.02 -1.39 0.80 113.55 121.86 1dt7 h SER 18 Ca -0.45 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 1dt7 h SER 18 Cb 2.13 -0.29 0.00 0.00 0.14 0.00 0.00 62.40 64.38 1dt7 h SER 18 CO 0.04 0.84 0.00 0.61 -1.14 0.00 0.00 176.83 177.19 1dt7 n GLY 19 N -1.37 -0.96 0.16 -3.77 0.00 -1.15 -3.51 105.19 94.59 1dt7 n GLY 19 Ca 0.12 -0.19 -0.08 0.00 0.00 0.00 0.00 46.02 45.87 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 0.00 0.48 -6.06 1.61 9.65 -0.98 -3.44 114.38 115.64 1dt7 h ARG 20 Ca 0.00 -0.03 -0.57 0.00 -1.10 0.00 0.00 59.98 58.28 1dt7 h ARG 20 Cb 0.00 -0.11 -0.10 0.00 -1.39 0.00 0.00 29.97 28.37 1dt7 h ARG 20 CO 0.00 0.32 -0.60 -1.21 2.80 0.00 0.00 179.97 181.27 1dt7 s GLU 21 N -6.16 2.17 0.41 0.20 0.41 -1.24 -4.98 118.70 109.51 1dt7 s GLU 21 Ca -0.13 -1.66 0.14 0.00 -0.41 0.00 0.00 54.97 52.92 1dt7 s GLU 21 Cb 0.10 -2.02 0.77 0.00 -1.78 0.00 0.00 34.13 31.21 1dt7 s GLU 21 CO 0.72 0.16 1.34 0.78 -0.49 0.00 0.00 175.26 177.77 1dt7 h GLY 22 N 1.76 0.00 -5.49 -1.39 0.00 -1.86 -3.18 103.07 92.90 1dt7 h GLY 22 Ca -0.43 0.00 -0.69 0.00 0.00 0.00 0.00 47.33 46.21 1dt7 h GLY 22 CO 0.65 0.00 3.44 1.22 0.00 0.00 0.00 176.54 181.85 1dt7 n ASP 23 N -2.21 6.58 -0.09 0.19 8.00 -1.26 -4.61 116.55 123.15 1dt7 n ASP 23 Ca -0.01 -2.72 -0.12 0.00 0.71 0.00 0.00 54.79 52.65 1dt7 n ASP 23 Cb 0.42 -1.59 0.00 0.00 -0.02 0.00 0.00 41.12 39.93 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 5.43 0.84 0.00 -1.24 3.64 -1.59 -3.13 116.57 120.51 1dt7 h LYS 24 Ca 0.73 -0.46 0.00 0.00 -1.27 0.00 0.00 60.65 59.65 1dt7 h LYS 24 Cb 0.44 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 1dt7 h LYS 24 CO 1.81 1.10 0.00 1.25 -2.27 0.00 0.00 179.45 181.34 1dt7 h HIS 25 N 0.68 0.00 -4.04 1.91 2.76 -1.86 -3.43 115.15 111.16 1dt7 h HIS 25 Ca 0.05 0.00 -0.17 0.00 -2.20 0.00 0.00 60.37 58.04 1dt7 h HIS 25 Cb 1.00 0.00 -0.16 0.00 1.55 0.00 0.00 27.41 29.79 1dt7 h HIS 25 CO 0.06 0.00 -0.69 -1.59 -1.30 0.00 0.00 177.93 174.40 1dt7 s LYS 26 N -3.29 0.63 -0.19 5.26 -2.85 -1.18 -4.67 119.74 113.44 1dt7 s LYS 26 Ca 0.06 -1.12 -0.03 0.00 -1.00 0.00 0.00 55.97 53.89 1dt7 s LYS 26 Cb 0.07 0.02 -0.01 0.00 -2.06 0.00 0.00 37.83 35.85 1dt7 s LYS 26 CO 0.62 -0.06 -0.07 -1.17 0.10 0.00 0.00 175.35 174.77 1dt7 s LEU 27 N -2.61 2.82 0.20 2.77 2.96 -1.06 -4.66 118.68 119.10 1dt7 s LEU 27 Ca 0.03 -0.38 0.01 0.00 -0.22 0.00 0.00 54.13 53.57 1dt7 s LEU 27 Cb 0.03 -1.69 -0.04 0.00 0.50 0.00 0.00 46.19 44.98 1dt7 s LEU 27 CO -0.06 0.03 0.36 -1.59 -1.32 0.00 0.00 176.35 173.77 1dt7 s LYS 28 N 1.16 3.48 0.61 1.98 -2.85 -1.26 -1.09 119.74 121.77 1dt7 s LYS 28 Ca 0.02 -0.48 0.25 0.00 -1.00 0.00 0.00 55.97 54.76 1dt7 s LYS 28 Cb -0.14 -2.88 1.01 0.00 -2.06 0.00 0.00 37.83 33.76 1dt7 s LYS 28 CO -0.02 0.43 1.46 1.57 0.10 0.00 0.00 175.35 178.89 1dt7 h LYS 29 N 1.87 0.00 0.05 1.78 2.10 -1.93 0.39 116.57 120.83 1dt7 h LYS 29 Ca -0.49 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.16 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 0.67 0.00 -0.02 1.03 -2.00 0.00 0.00 179.45 179.13 1dt7 h SER 30 N 0.00 -0.06 -0.46 7.07 0.87 -1.91 -2.31 113.55 116.75 1dt7 h SER 30 Ca 0.35 -0.56 -0.05 0.00 -1.23 0.00 0.00 61.79 60.29 1dt7 h SER 30 Cb 2.27 0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 64.22 1dt7 h SER 30 CO -0.00 0.57 0.11 -0.33 -0.53 0.00 0.00 176.83 176.65 1dt7 h GLU 31 N -0.73 0.80 -0.96 2.24 5.08 -0.67 -2.42 114.58 117.92 1dt7 h GLU 31 Ca -0.01 -0.17 0.01 0.00 -1.00 0.00 0.00 59.36 58.20 1dt7 h GLU 31 Cb 0.62 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.70 1dt7 h GLU 31 CO 0.01 0.73 0.64 1.25 -1.00 0.00 0.00 179.01 180.64 1dt7 h LEU 32 N 0.77 1.10 -0.95 1.33 5.85 -1.08 -2.06 115.31 120.28 1dt7 h LEU 32 Ca 0.17 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 1dt7 h LEU 32 Cb 0.30 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 41.01 1dt7 h LEU 32 CO 0.00 0.80 0.56 0.50 -0.34 0.00 0.00 178.44 179.96 1dt7 h LYS 33 N 1.30 1.29 -0.43 1.25 3.64 -0.90 -1.66 116.57 121.06 1dt7 h LYS 33 Ca 0.35 -0.12 -0.10 0.00 -1.27 0.00 0.00 60.65 59.51 1dt7 h LYS 33 Cb -0.15 -0.27 -0.02 0.00 -0.41 0.00 0.00 32.23 31.38 1dt7 h LYS 33 CO -0.08 0.91 -0.13 0.93 -2.27 0.00 0.00 179.45 178.82 1dt7 h GLU 34 N 1.31 0.79 -0.07 1.90 4.39 -1.28 0.14 114.58 121.76 1dt7 h GLU 34 Ca 0.34 -0.27 -0.01 0.00 0.34 0.00 0.00 59.36 59.75 1dt7 h GLU 34 Cb -0.04 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 28.54 1dt7 h GLU 34 CO -0.06 0.88 0.00 1.25 -1.16 0.00 0.00 179.01 179.92 1dt7 h LEU 35 N 0.71 0.12 -0.20 1.33 6.46 -0.95 -0.85 115.31 121.94 1dt7 h LEU 35 Ca 0.12 -0.31 -0.07 0.00 -0.12 0.00 0.00 57.88 57.50 1dt7 h LEU 35 Cb 0.62 -0.03 -0.00 0.00 -0.73 0.00 0.00 40.66 40.51 1dt7 h LEU 35 CO 0.04 0.40 -0.15 0.40 -0.62 0.00 0.00 178.44 178.51 1dt7 h ILE 36 N -0.16 1.32 -0.29 4.05 2.04 -1.19 0.38 117.51 123.67 1dt7 h ILE 36 Ca 0.02 -1.26 -0.16 0.00 1.00 0.00 0.00 64.86 64.45 1dt7 h ILE 36 Cb 0.34 1.71 -0.00 0.00 -0.74 0.00 0.00 36.82 38.12 1dt7 h ILE 36 CO 0.00 0.38 -0.45 -1.13 0.00 0.00 0.00 178.15 176.96 1dt7 h ASN 37 N 0.14 0.89 0.04 1.72 -0.73 -0.77 -3.22 115.58 113.65 1dt7 h ASN 37 Ca 0.04 -0.52 -0.37 0.00 1.87 0.00 0.00 56.30 57.32 1dt7 h ASN 37 Cb 0.67 -0.25 -0.07 0.00 0.27 0.00 0.00 38.32 38.93 1dt7 h ASN 37 CO 0.04 1.24 -2.34 -3.20 -0.37 0.00 0.00 177.43 172.79 1dt7 n ASN 38 N -4.11 0.43 0.00 1.15 5.15 -0.33 -4.31 115.26 113.24 1dt7 n ASN 38 Ca -0.04 0.01 0.14 0.00 -0.60 0.00 0.00 54.58 54.09 1dt7 n ASN 38 Cb 0.57 0.66 0.60 0.00 -0.53 0.00 0.00 39.78 41.08 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 -2.87 0.00 -2.44 1.20 2.13 0.13 -3.61 120.64 115.19 1dt7 n GLU 39 Ca -0.34 0.02 -0.31 0.00 0.66 0.00 0.00 57.16 57.19 1dt7 n GLU 39 Cb 1.12 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 31.34 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 -1.50 5.47 -4.60 4.31 4.77 -1.21 -4.97 117.00 119.26 1dt7 n LEU 40 Ca 0.07 -5.22 -0.43 0.00 -0.03 0.00 0.00 56.01 50.40 1dt7 n LEU 40 Cb 0.33 -0.65 -0.03 0.00 -2.33 0.00 0.00 43.42 40.73 1dt7 n LEU 40 CO 0.26 2.14 1.81 -0.44 -1.33 0.00 0.00 177.39 179.83 1dt7 s SER 41 N -2.85 5.48 0.00 -1.43 0.01 -1.24 -2.99 113.70 110.69 1dt7 s SER 41 Ca 0.48 1.78 0.00 0.00 1.31 0.00 0.00 55.95 59.52 1dt7 s SER 41 Cb 0.38 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 64.09 1dt7 s SER 41 CO -0.23 -1.95 0.00 1.41 0.41 0.00 0.00 173.24 172.88 1dt7 n HIS 42 N 11.62 0.00 -0.11 2.43 8.25 -1.26 -4.63 115.22 131.53 1dt7 n HIS 42 Ca 0.29 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.62 1dt7 n HIS 42 Cb 0.45 -0.82 -0.02 0.00 1.12 0.00 0.00 29.99 30.73 1dt7 n HIS 42 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 1dt7 h PHE 43 N 0.00 1.10 -3.65 4.41 3.57 -1.91 -3.45 116.94 117.01 1dt7 h PHE 43 Ca 0.00 -0.34 -0.27 0.00 3.53 0.00 0.00 57.97 60.90 1dt7 h PHE 43 Cb 0.00 -0.23 -0.15 0.00 2.79 0.00 0.00 35.95 38.36 1dt7 h PHE 43 CO 0.00 1.16 -0.70 -1.17 -2.23 0.00 0.00 178.31 175.37 1dt7 s LEU 44 N -8.85 2.46 -0.18 0.59 2.96 -1.23 -5.07 118.68 109.36 1dt7 s LEU 44 Ca -0.11 -1.03 -0.30 0.00 -0.22 0.00 0.00 54.13 52.47 1dt7 s LEU 44 Cb 0.11 -0.17 -0.07 0.00 0.50 0.00 0.00 46.19 46.56 1dt7 s LEU 44 CO 0.88 -0.43 2.15 1.21 -1.32 0.00 0.00 176.35 178.84 1dt7 n GLU 45 N -0.13 2.05 -0.86 1.98 2.13 -1.26 -4.83 120.64 119.71 1dt7 n GLU 45 Ca -0.11 0.62 -0.30 0.00 0.66 0.00 0.00 57.16 58.04 1dt7 n GLU 45 Cb 0.61 -3.06 0.17 0.00 0.27 0.00 0.00 31.44 29.44 1dt7 n GLU 45 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 1dt7 s GLU 46 N 5.82 0.66 -0.10 5.31 2.02 -1.26 -5.00 118.70 126.15 1dt7 s GLU 46 Ca 0.99 1.09 -0.12 0.00 0.02 0.00 0.00 54.97 56.96 1dt7 s GLU 46 Cb -0.44 -1.72 -0.05 0.00 0.10 0.00 0.00 34.13 32.02 1dt7 s GLU 46 CO 0.39 -2.73 0.28 0.42 0.02 0.00 0.00 175.26 173.65 1dt7 s ILE 47 N -2.71 5.28 -0.07 -1.63 -1.09 -1.26 -4.98 121.20 114.74 1dt7 s ILE 47 Ca 0.66 0.53 0.13 0.00 -2.23 0.00 0.00 60.65 59.73 1dt7 s ILE 47 Cb -0.21 -3.59 -0.18 0.00 -1.58 0.00 0.00 42.46 36.90 1dt7 s ILE 47 CO 0.59 0.52 0.17 0.29 -1.23 0.00 0.00 174.94 175.28 1dt7 n LYS 48 N 2.58 1.17 -4.77 2.79 4.76 -1.26 -4.90 118.16 118.52 1dt7 n LYS 48 Ca -0.15 -0.07 -0.27 0.00 -2.87 0.00 0.00 58.31 54.96 1dt7 n LYS 48 Cb 0.53 -1.33 -0.15 0.00 -1.84 0.00 0.00 35.03 32.25 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 -2.63 1.52 0.46 1.97 0.41 -1.26 -5.00 118.70 114.18 1dt7 s GLU 49 Ca -0.06 -0.92 0.31 0.00 -0.41 0.00 0.00 54.97 53.89 1dt7 s GLU 49 Cb 0.06 -1.61 1.33 0.00 -1.78 0.00 0.00 34.13 32.13 1dt7 s GLU 49 CO 0.55 0.42 1.92 -0.56 -0.49 0.00 0.00 175.26 177.10 1dt7 h GLN 50 N 5.03 0.00 -0.95 1.61 -0.00 -2.01 -2.85 115.11 115.94 1dt7 h GLN 50 Ca -0.42 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.22 1dt7 h GLN 50 Cb 1.15 0.00 -0.05 0.00 -0.00 0.00 0.00 27.48 28.59 1dt7 h GLN 50 CO 0.45 0.00 0.58 1.05 -0.00 0.00 0.00 178.83 180.91 1dt7 h GLU 51 N 0.00 1.29 -1.00 0.06 4.11 -2.00 -1.36 114.58 115.69 1dt7 h GLU 51 Ca 0.00 -0.11 0.01 0.00 0.07 0.00 0.00 59.36 59.33 1dt7 h GLU 51 Cb 0.41 -0.27 -0.05 0.00 0.50 0.00 0.00 28.75 29.34 1dt7 h GLU 51 CO 0.00 0.90 0.66 0.28 0.07 0.00 0.00 179.01 180.92 1dt7 h VAL 52 N 1.32 1.26 -0.78 -1.06 2.07 -1.94 -1.72 116.25 115.39 1dt7 h VAL 52 Ca 0.34 -0.47 -0.05 0.00 0.82 0.00 0.00 66.70 67.34 1dt7 h VAL 52 Cb -0.07 -0.21 -0.03 0.00 -1.52 0.00 0.00 31.29 29.46 1dt7 h VAL 52 CO -0.07 0.25 0.29 0.58 0.02 0.00 0.00 177.57 178.64 1dt7 h VAL 53 N 1.36 1.26 -0.79 2.57 2.07 -1.39 -1.93 116.25 119.39 1dt7 h VAL 53 Ca 0.37 -0.86 -0.04 0.00 0.82 0.00 0.00 66.70 66.99 1dt7 h VAL 53 Cb -0.16 0.35 -0.04 0.00 -1.52 0.00 0.00 31.29 29.93 1dt7 h VAL 53 CO -0.08 0.35 0.33 0.44 0.02 0.00 0.00 177.57 178.63 1dt7 h ASP 54 N 1.15 1.07 -0.70 0.57 3.32 -0.57 -0.11 116.42 121.15 1dt7 h ASP 54 Ca 0.26 -0.16 -0.08 0.00 0.02 0.00 0.00 57.03 57.08 1dt7 h ASP 54 Cb 0.25 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.49 1dt7 h ASP 54 CO -0.02 0.94 0.14 0.50 -1.72 0.00 0.00 179.24 179.08 1dt7 h LYS 55 N 1.14 1.14 -0.07 3.56 3.64 -1.06 -1.37 116.57 123.55 1dt7 h LYS 55 Ca 0.27 -0.29 -0.07 0.00 -1.27 0.00 0.00 60.65 59.28 1dt7 h LYS 55 Cb 0.19 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 1dt7 h LYS 55 CO -0.02 1.02 -0.30 0.28 -2.27 0.00 0.00 179.45 178.15 1dt7 h VAL 56 N 1.07 1.24 -0.01 2.00 2.07 -0.81 -2.24 116.25 119.57 1dt7 h VAL 56 Ca 0.22 -1.16 -0.11 0.00 0.82 0.00 0.00 66.70 66.47 1dt7 h VAL 56 Cb 0.41 1.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.69 1dt7 h VAL 56 CO 0.01 0.34 -0.50 0.24 0.02 0.00 0.00 177.57 177.68 1dt7 h MET 57 N 0.12 0.03 -1.01 1.57 2.86 0.03 0.25 114.93 118.79 1dt7 h MET 57 Ca 0.02 -0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.65 1dt7 h MET 57 Cb 0.60 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.21 1dt7 h MET 57 CO 0.04 0.52 0.67 1.49 1.06 0.00 0.00 176.91 180.69 1dt7 h GLU 58 N 0.03 1.32 0.06 1.72 4.81 -0.73 2.94 114.58 124.72 1dt7 h GLU 58 Ca -0.00 -0.08 -0.21 0.00 -0.13 0.00 0.00 59.36 58.94 1dt7 h GLU 58 Cb 0.89 -0.30 0.02 0.00 0.63 0.00 0.00 28.75 29.99 1dt7 h GLU 58 CO 0.07 0.87 -0.86 1.15 -0.73 0.00 0.00 179.01 179.51 1dt7 h THR 59 N 1.36 1.38 0.00 0.32 2.02 -1.39 -3.32 112.91 113.29 1dt7 h THR 59 Ca 0.37 -2.28 -0.05 0.00 0.77 0.00 0.00 66.41 65.22 1dt7 h THR 59 Cb -0.15 2.70 -0.01 0.00 -1.74 0.00 0.00 68.15 68.95 1dt7 h THR 59 CO -0.08 0.67 -0.62 -0.07 0.37 0.00 0.00 175.52 175.79 1dt7 h LEU 60 N 0.01 0.00 -5.43 2.58 3.38 -0.15 -3.36 115.31 112.35 1dt7 h LEU 60 Ca -0.12 0.00 -0.69 0.00 0.09 0.00 0.00 57.88 57.15 1dt7 h LEU 60 Cb 1.58 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.31 1dt7 h LEU 60 CO 0.17 0.20 3.40 -0.67 0.09 0.00 0.00 178.44 181.62 1dt7 n ASP 61 N -2.97 7.14 -0.32 -0.43 2.03 0.98 -4.60 116.55 118.38 1dt7 n ASP 61 Ca 0.00 -2.74 0.01 0.00 0.52 0.00 0.00 54.79 52.59 1dt7 n ASP 61 Cb 0.63 -1.56 0.19 0.00 -0.72 0.00 0.00 41.12 39.66 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 5.27 1.12 0.00 -0.67 5.08 -1.80 0.20 114.58 123.78 1dt7 h GLU 62 Ca 0.75 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 59.04 1dt7 h GLU 62 Cb 0.40 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1dt7 h GLU 62 CO 1.77 0.74 0.00 -0.25 -1.00 0.00 0.00 179.01 180.27 1dt7 n ASP 63 N -4.45 0.22 -2.56 1.42 8.00 -1.26 -4.91 116.55 113.01 1dt7 n ASP 63 Ca 0.13 0.52 -0.15 0.00 0.71 0.00 0.00 54.79 56.00 1dt7 n ASP 63 Cb 0.11 -0.58 0.05 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 1.25 -0.05 0.65 0.44 0.00 0.69 -4.91 105.19 103.26 1dt7 n GLY 64 Ca 0.06 -0.07 0.09 0.00 0.00 0.00 0.00 46.02 46.10 1dt7 n GLY 64 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1dt7 n ASP 65 N -1.73 2.34 0.00 1.61 8.00 -1.26 -4.92 116.55 120.58 1dt7 n ASP 65 Ca -0.05 -1.67 0.00 0.00 0.71 0.00 0.00 54.79 53.78 1dt7 n ASP 65 Cb 0.56 0.09 0.00 0.00 -0.02 0.00 0.00 41.12 41.75 1dt7 n ASP 65 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1dt7 n GLY 66 N 1.04 0.94 3.15 0.44 0.00 -1.26 -4.96 105.19 104.54 1dt7 n GLY 66 Ca 0.10 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.00 0.54 -0.07 1.61 -1.05 -1.26 -3.24 118.70 115.22 1dt7 s GLU 67 Ca 0.00 -0.33 0.03 0.00 -0.15 0.00 0.00 54.97 54.51 1dt7 s GLU 67 Cb 0.00 0.23 -0.02 0.00 -0.44 0.00 0.00 34.13 33.90 1dt7 s GLU 67 CO 0.00 -0.13 -0.14 0.00 0.95 0.00 0.00 175.26 175.93 1dt7 s ASP 69 N -0.46 3.93 0.31 0.00 -1.08 -1.26 -2.56 116.67 115.55 1dt7 s ASP 69 Ca 0.06 1.09 0.02 0.00 -0.52 0.00 0.00 52.55 53.19 1dt7 s ASP 69 Cb -0.12 -1.72 0.57 0.00 -1.46 0.00 0.00 42.92 40.19 1dt7 s ASP 69 CO 0.02 -2.30 1.92 2.19 0.52 0.00 0.00 175.17 177.52 1dt7 h PHE 70 N -1.32 0.99 -0.90 -5.34 -0.00 -1.95 -0.71 116.94 107.70 1dt7 h PHE 70 Ca -0.49 0.03 -0.02 0.00 -0.00 0.00 0.00 57.97 57.49 1dt7 h PHE 70 Cb 1.31 -0.33 -0.04 0.00 -0.00 0.00 0.00 35.95 36.89 1dt7 h PHE 70 CO 0.36 0.52 0.49 -0.56 -0.00 0.00 0.00 178.31 179.12 1dt7 h GLN 71 N 0.98 1.26 -0.84 6.09 3.07 -1.98 -1.01 115.11 122.67 1dt7 h GLN 71 Ca 0.37 -0.15 -0.03 0.00 0.09 0.00 0.00 58.65 58.93 1dt7 h GLN 71 Cb 0.20 -0.25 -0.04 0.00 0.08 0.00 0.00 27.48 27.48 1dt7 h GLN 71 CO -0.13 0.92 0.41 0.93 0.09 0.00 0.00 178.83 181.05 1dt7 h GLU 72 N 1.27 1.21 -0.26 0.06 5.08 -1.48 -1.83 114.58 118.62 1dt7 h GLU 72 Ca 0.32 -0.17 -0.06 0.00 -1.00 0.00 0.00 59.36 58.44 1dt7 h GLU 72 Cb 0.03 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.05 1dt7 h GLU 72 CO -0.05 0.93 -0.10 0.35 -1.00 0.00 0.00 179.01 179.13 1dt7 h PHE 73 N 1.20 0.44 -0.75 4.33 3.57 -0.73 -2.70 116.94 122.30 1dt7 h PHE 73 Ca 0.29 -0.06 0.01 0.00 3.53 0.00 0.00 57.97 61.74 1dt7 h PHE 73 Cb 0.11 -0.12 -0.04 0.00 2.79 0.00 0.00 35.95 38.69 1dt7 h PHE 73 CO 0.01 0.52 0.49 0.52 -2.23 0.00 0.00 178.31 177.63 1dt7 h MET 74 N 0.40 0.99 -0.19 1.11 2.86 -0.33 -2.33 114.93 117.43 1dt7 h MET 74 Ca 0.08 -0.06 -0.12 0.00 -2.06 0.00 0.00 59.70 57.53 1dt7 h MET 74 Cb 0.43 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 31.85 1dt7 h MET 74 CO 0.02 0.66 -0.40 0.00 1.06 0.00 0.00 176.91 178.26 1dt7 h ALA 75 N 1.52 0.96 -0.15 6.32 0.00 -1.34 -3.06 119.26 123.52 1dt7 h ALA 75 Ca 0.27 -0.42 -0.13 0.00 0.00 0.00 0.00 54.91 54.63 1dt7 h ALA 75 Cb -0.11 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1dt7 h ALA 75 CO -0.06 0.62 -0.47 0.35 0.00 0.00 0.00 179.25 179.70 1dt7 h PHE 76 N 0.37 0.46 -0.94 0.00 3.57 -1.44 -3.02 116.94 115.94 1dt7 h PHE 76 Ca 0.03 -0.14 -0.01 0.00 3.53 0.00 0.00 57.97 61.39 1dt7 h PHE 76 Cb 0.86 -0.09 -0.05 0.00 2.79 0.00 0.00 35.95 39.46 1dt7 h PHE 76 CO 0.03 0.78 0.57 0.28 -2.23 0.00 0.00 178.31 177.73 1dt7 h VAL 77 N 0.31 1.26 -0.74 1.41 2.07 -1.39 -2.21 116.25 116.96 1dt7 h VAL 77 Ca 0.02 -0.57 -0.06 0.00 0.82 0.00 0.00 66.70 66.91 1dt7 h VAL 77 Cb 0.94 -0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 1dt7 h VAL 77 CO 0.08 0.27 0.21 0.28 0.02 0.00 0.00 177.57 178.43 1dt7 h SER 78 N 1.30 1.09 -0.34 0.57 0.02 -1.51 -2.15 113.55 112.55 1dt7 h SER 78 Ca 0.34 -0.22 -0.13 0.00 -0.84 0.00 0.00 61.79 60.94 1dt7 h SER 78 Cb -0.05 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 62.19 1dt7 h SER 78 CO -0.06 1.02 -0.30 0.24 -1.14 0.00 0.00 176.83 176.59 1dt7 h MET 79 N 1.10 0.80 -0.49 3.45 2.07 -1.38 -2.31 114.93 118.17 1dt7 h MET 79 Ca 0.23 -0.41 -0.09 0.00 -2.07 0.00 0.00 59.70 57.37 1dt7 h MET 79 Cb 0.34 0.01 -0.02 0.00 -1.87 0.00 0.00 31.60 30.06 1dt7 h MET 79 CO -0.00 1.04 -0.04 0.28 1.07 0.00 0.00 176.91 179.25 1dt7 h VAL 80 N 0.58 1.25 -1.00 -2.22 2.07 -1.34 -2.11 116.25 113.49 1dt7 h VAL 80 Ca 0.06 -1.11 0.01 0.00 0.82 0.00 0.00 66.70 66.48 1dt7 h VAL 80 Cb 0.88 0.92 -0.05 0.00 -1.52 0.00 0.00 31.29 31.53 1dt7 h VAL 80 CO 0.08 0.39 0.66 0.74 0.02 0.00 0.00 177.57 179.46 1dt7 h THR 81 N 0.78 1.26 -0.94 2.57 2.02 -1.29 0.57 112.91 117.87 1dt7 h THR 81 Ca 0.14 -0.47 0.11 0.00 0.77 0.00 0.00 66.41 66.96 1dt7 h THR 81 Cb 0.53 -0.21 -0.07 0.00 -1.74 0.00 0.00 68.15 66.66 1dt7 h THR 81 CO 0.03 0.25 0.60 0.74 0.37 0.00 0.00 175.52 177.51 1dt7 h THR 82 N 1.36 0.94 -0.76 3.16 2.02 -0.80 0.48 112.91 119.31 1dt7 h THR 82 Ca 0.37 -0.32 -0.03 0.00 0.77 0.00 0.00 66.41 67.20 1dt7 h THR 82 Cb -0.15 -0.06 -0.04 0.00 -1.74 0.00 0.00 68.15 66.16 1dt7 h THR 82 CO -0.08 0.17 0.35 0.00 0.37 0.00 0.00 175.52 176.33 1dt7 h ALA 83 N 1.55 1.20 -0.77 6.16 0.00 -0.67 -2.23 119.26 124.50 1dt7 h ALA 83 Ca 0.45 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.21 1dt7 h ALA 83 Cb 0.46 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 1dt7 h ALA 83 CO -0.21 0.61 0.51 0.00 0.00 0.00 0.00 179.25 180.15 1dt7 h HIS 85 N 1.04 1.08 -0.84 0.00 6.17 -0.71 2.61 115.15 124.51 1dt7 h HIS 85 Ca 0.28 0.03 0.01 0.00 0.71 0.00 0.00 60.37 61.40 1dt7 h HIS 85 Cb -0.12 -0.36 -0.04 0.00 2.52 0.00 0.00 27.41 29.41 1dt7 h HIS 85 CO 0.00 0.62 0.56 1.49 0.71 0.00 0.00 177.93 181.31 1dt7 h GLU 86 N 1.11 1.10 0.19 5.26 4.22 -1.14 -2.42 114.58 122.91 1dt7 h GLU 86 Ca 0.36 -0.07 -0.34 0.00 0.08 0.00 0.00 59.36 59.40 1dt7 h GLU 86 Cb 0.04 -0.25 0.01 0.00 0.50 0.00 0.00 28.75 29.06 1dt7 h GLU 86 CO -0.11 0.73 -1.62 0.74 -2.18 0.00 0.00 179.01 176.56 1dt7 h PHE 87 N 1.13 0.74 -2.34 0.92 0.04 -0.57 -3.37 116.94 113.50 1dt7 h PHE 87 Ca 0.31 -0.54 -0.77 0.00 2.80 0.00 0.00 57.97 59.77 1dt7 h PHE 87 Cb -0.12 -0.03 -0.21 0.00 2.20 0.00 0.00 35.95 37.78 1dt7 h PHE 87 CO -0.00 1.58 1.28 1.19 -0.60 0.00 0.00 178.31 181.76 1dt7 n PHE 88 N -3.60 3.63 -2.59 -0.55 3.72 0.85 -4.96 117.46 113.96 1dt7 n PHE 88 Ca -0.21 -3.06 -0.42 0.00 -0.05 0.00 0.00 57.45 53.72 1dt7 n PHE 88 Cb 1.08 -1.78 -0.03 0.00 -0.94 0.00 0.00 39.48 37.81 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 -0.48 3.31 0.01 -1.08 0.41 -1.11 -4.61 118.70 115.15 1dt7 s GLU 89 Ca 0.37 -0.09 0.15 0.00 -0.41 0.00 0.00 54.97 54.98 1dt7 s GLU 89 Cb 0.02 -4.11 0.63 0.00 -1.78 0.00 0.00 34.13 28.89 1dt7 s GLU 89 CO 0.02 -1.92 1.47 -2.39 -0.49 0.00 0.00 175.26 171.95 1dt7 n HIS 90 N 8.84 0.03 0.00 1.61 1.44 -1.26 -5.15 115.22 120.72 1dt7 n HIS 90 Ca 0.05 0.01 0.00 0.00 -2.01 0.00 0.00 57.72 55.77 1dt7 n HIS 90 Cb 0.49 -0.52 0.00 0.00 0.12 0.00 0.00 29.99 30.08 1dt7 n HIS 90 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92