#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 -5.62 0.00 6.12 2.88 -1.26 -4.79 113.62 110.95 1dt7 n SER 1 Ca 0.00 0.25 0.01 0.00 -1.33 0.00 0.00 58.87 57.80 1dt7 n SER 1 Cb 0.00 -4.82 0.08 0.00 -0.75 0.00 0.00 64.21 58.72 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 -2.68 0.82 -0.03 -1.46 1.02 -1.26 -3.96 120.64 113.10 1dt7 n GLU 2 Ca -0.22 0.00 0.23 0.00 -0.02 0.00 0.00 57.16 57.14 1dt7 n GLU 2 Cb 0.68 -1.05 0.55 0.00 -0.02 0.00 0.00 31.44 31.60 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 -0.65 -4.62 7.12 -1.99 0.56 115.31 115.72 1dt7 h LEU 3 Ca 0.00 0.00 -0.10 0.00 0.13 0.00 0.00 57.88 57.91 1dt7 h LEU 3 Cb 0.00 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 40.11 1dt7 h LEU 3 CO 0.00 0.00 -0.03 -0.33 -0.13 0.00 0.00 178.44 177.95 1dt7 h GLU 4 N 0.00 1.02 0.00 1.25 5.08 -1.98 -2.25 114.58 117.70 1dt7 h GLU 4 Ca 0.32 -0.33 -0.21 0.00 -1.00 0.00 0.00 59.36 58.13 1dt7 h GLU 4 Cb 2.02 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 31.15 1dt7 h GLU 4 CO -0.00 1.02 -1.02 1.57 -1.00 0.00 0.00 179.01 179.58 1dt7 h LYS 5 N 0.93 0.00 -0.28 2.33 2.10 -0.22 -3.13 116.57 118.30 1dt7 h LYS 5 Ca 0.16 0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.68 1dt7 h LYS 5 Cb 0.58 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.91 1dt7 h LYS 5 CO 0.03 0.98 -0.36 0.00 -2.00 0.00 0.00 179.45 178.10 1dt7 h ALA 6 N 1.01 0.42 -0.13 0.07 0.00 -1.32 -2.33 119.26 116.96 1dt7 h ALA 6 Ca -0.02 -0.43 -0.18 0.00 0.00 0.00 0.00 54.91 54.28 1dt7 h ALA 6 Cb 1.77 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.48 1dt7 h ALA 6 CO 0.13 0.49 -0.65 0.52 0.00 0.00 0.00 179.25 179.73 1dt7 h MET 7 N 0.48 0.52 -0.66 0.00 2.86 -1.52 -2.26 114.93 114.34 1dt7 h MET 7 Ca 0.03 -0.38 -0.08 0.00 -2.06 0.00 0.00 59.70 57.21 1dt7 h MET 7 Cb 0.95 0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.64 1dt7 h MET 7 CO 0.08 1.00 0.08 0.28 1.06 0.00 0.00 176.91 179.41 1dt7 h VAL 8 N 0.38 1.26 -0.20 -2.22 2.07 -1.54 -2.71 116.25 113.29 1dt7 h VAL 8 Ca -0.02 -1.07 -0.19 0.00 0.82 0.00 0.00 66.70 66.24 1dt7 h VAL 8 Cb 1.22 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 31.66 1dt7 h VAL 8 CO 0.12 0.40 -0.64 0.00 0.02 0.00 0.00 177.57 177.47 1dt7 h ALA 9 N 1.04 0.50 -1.00 1.67 0.00 -1.37 -2.31 119.26 117.79 1dt7 h ALA 9 Ca 0.20 -0.55 0.01 0.00 0.00 0.00 0.00 54.91 54.57 1dt7 h ALA 9 Cb 0.48 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 1dt7 h ALA 9 CO 0.02 0.70 0.66 1.25 0.00 0.00 0.00 179.25 181.88 1dt7 h LEU 10 N 0.52 1.15 -0.53 0.00 5.85 -1.30 -1.85 115.31 119.15 1dt7 h LEU 10 Ca -0.01 -0.03 -0.13 0.00 0.84 0.00 0.00 57.88 58.55 1dt7 h LEU 10 Cb 1.23 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 41.96 1dt7 h LEU 10 CO 0.13 0.83 -0.19 0.40 -0.34 0.00 0.00 178.44 179.27 1dt7 h ILE 11 N 1.35 1.27 -0.86 4.05 2.04 -1.41 -2.96 117.51 121.00 1dt7 h ILE 11 Ca 0.37 -1.35 0.01 0.00 1.00 0.00 0.00 64.86 64.88 1dt7 h ILE 11 Cb -0.15 1.08 -0.04 0.00 -0.74 0.00 0.00 36.82 36.97 1dt7 h ILE 11 CO -0.08 0.47 0.56 0.44 0.00 0.00 0.00 178.15 179.54 1dt7 h ASP 12 N 0.86 1.00 -0.39 1.72 3.32 -0.76 -2.50 116.42 119.67 1dt7 h ASP 12 Ca 0.12 -0.03 -0.15 0.00 0.02 0.00 0.00 57.03 56.98 1dt7 h ASP 12 Cb 0.76 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.06 1dt7 h ASP 12 CO 0.06 0.73 -0.35 1.62 -1.72 0.00 0.00 179.24 179.58 1dt7 h VAL 13 N 1.17 1.27 -1.00 -1.35 3.04 -1.43 -3.03 116.25 114.93 1dt7 h VAL 13 Ca 0.31 -1.52 0.01 0.00 -1.01 0.00 0.00 66.70 64.49 1dt7 h VAL 13 Cb -0.12 1.37 -0.05 0.00 -2.01 0.00 0.00 31.29 30.47 1dt7 h VAL 13 CO -0.07 0.51 0.66 0.15 -1.01 0.00 0.00 177.57 177.82 1dt7 h PHE 14 N 0.75 1.26 -0.57 3.17 3.57 -1.34 -2.05 116.94 121.73 1dt7 h PHE 14 Ca 0.07 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.58 1dt7 h PHE 14 Cb 0.94 -0.43 -0.03 0.00 2.79 0.00 0.00 35.95 39.23 1dt7 h PHE 14 CO 0.06 0.80 0.30 1.25 -2.23 0.00 0.00 178.31 178.49 1dt7 h HIS 15 N 1.36 0.78 -0.97 0.41 2.76 -1.33 -1.65 115.15 116.50 1dt7 h HIS 15 Ca 0.37 -0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.53 1dt7 h HIS 15 Cb -0.15 -0.25 -0.05 0.00 1.55 0.00 0.00 27.41 28.51 1dt7 h HIS 15 CO 0.00 0.56 0.64 1.96 -1.30 0.00 0.00 177.93 179.79 1dt7 h GLN 16 N 0.80 1.28 0.06 5.26 1.08 -1.29 -2.75 115.11 119.55 1dt7 h GLN 16 Ca 0.20 -0.08 -0.29 0.00 -1.45 0.00 0.00 58.65 57.03 1dt7 h GLN 16 Cb 0.05 -0.29 -0.03 0.00 -0.05 0.00 0.00 27.48 27.16 1dt7 h GLN 16 CO -0.03 0.85 -1.55 1.88 -0.95 0.00 0.00 178.83 179.02 1dt7 h TYR 17 N 1.31 0.24 -1.00 2.96 0.05 -1.51 -3.28 116.97 115.75 1dt7 h TYR 17 Ca 0.35 -0.18 0.01 0.00 0.05 0.00 0.00 58.73 58.96 1dt7 h TYR 17 Cb -0.15 -0.01 -0.05 0.00 1.01 0.00 0.00 36.73 37.53 1dt7 h TYR 17 CO -0.00 1.24 0.65 0.66 -1.05 0.00 0.00 178.16 179.66 1dt7 h SER 18 N 0.04 1.16 -0.09 3.88 4.64 -1.22 -0.25 113.55 121.70 1dt7 h SER 18 Ca -0.24 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 1dt7 h SER 18 Cb 1.98 -0.29 0.00 0.00 -0.31 0.00 0.00 62.40 63.78 1dt7 h SER 18 CO 0.12 0.85 0.00 0.61 -0.87 0.00 0.00 176.83 177.54 1dt7 n GLY 19 N -1.35 -0.44 0.13 -0.77 0.00 -1.05 -3.50 105.19 98.20 1dt7 n GLY 19 Ca 0.12 -0.22 -0.09 0.00 0.00 0.00 0.00 46.02 45.83 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 0.88 0.34 0.00 1.61 9.65 -1.09 -3.36 114.38 122.41 1dt7 h ARG 20 Ca 0.00 -0.02 -0.29 0.00 -1.10 0.00 0.00 59.98 58.57 1dt7 h ARG 20 Cb 0.19 -0.08 -0.04 0.00 -1.39 0.00 0.00 29.97 28.65 1dt7 h ARG 20 CO 0.00 0.23 -1.95 -1.91 2.80 0.00 0.00 179.97 179.14 1dt7 n GLU 21 N -4.91 0.57 0.00 0.20 2.13 -1.26 -5.03 120.64 112.34 1dt7 n GLU 21 Ca -0.02 0.25 0.00 0.00 0.66 0.00 0.00 57.16 58.05 1dt7 n GLU 21 Cb 0.03 -1.48 0.00 0.00 0.27 0.00 0.00 31.44 30.26 1dt7 n GLU 21 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1dt7 n GLY 22 N 1.33 0.11 3.42 8.31 0.00 -1.26 -5.05 105.19 112.05 1dt7 n GLY 22 Ca -0.39 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.20 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 4.88 -0.25 1.61 8.00 -1.25 -4.74 116.55 124.80 1dt7 n ASP 23 Ca 0.00 -2.93 -0.08 0.00 0.71 0.00 0.00 54.79 52.49 1dt7 n ASP 23 Cb 0.00 -1.69 0.05 0.00 -0.02 0.00 0.00 41.12 39.46 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 7.20 1.13 0.00 -1.24 3.64 -1.94 -2.59 116.57 122.77 1dt7 h LYS 24 Ca 0.43 -0.29 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 1dt7 h LYS 24 Cb 0.83 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.51 1dt7 h LYS 24 CO 1.47 1.01 0.00 -2.39 -2.27 0.00 0.00 179.45 177.28 1dt7 n HIS 25 N -4.22 0.15 -3.85 1.91 1.44 -1.26 -4.80 115.22 104.60 1dt7 n HIS 25 Ca 0.05 0.04 -0.12 0.00 -2.01 0.00 0.00 57.72 55.68 1dt7 n HIS 25 Cb 0.28 -0.57 -0.14 0.00 0.12 0.00 0.00 29.99 29.68 1dt7 n HIS 25 CO 0.00 0.00 0.00 0.21 -2.81 0.00 0.00 176.34 173.74 1dt7 s LYS 26 N -3.02 0.06 -0.17 -1.40 2.20 -0.97 -4.09 119.74 112.35 1dt7 s LYS 26 Ca 0.13 0.09 -0.04 0.00 -0.36 0.00 0.00 55.97 55.79 1dt7 s LYS 26 Cb 0.18 0.02 -0.03 0.00 -1.51 0.00 0.00 37.83 36.49 1dt7 s LYS 26 CO 0.54 -0.01 -0.02 -1.17 -0.36 0.00 0.00 175.35 174.32 1dt7 s LEU 27 N 0.08 3.30 0.24 5.43 2.96 -0.86 -4.50 118.68 125.32 1dt7 s LEU 27 Ca -0.00 -0.13 0.02 0.00 -0.22 0.00 0.00 54.13 53.80 1dt7 s LEU 27 Cb -0.01 -1.81 -0.04 0.00 0.50 0.00 0.00 46.19 44.84 1dt7 s LEU 27 CO -0.00 0.15 0.41 -0.54 -1.32 0.00 0.00 176.35 175.04 1dt7 s LYS 28 N 0.50 3.48 0.62 1.98 1.02 -1.26 -1.17 119.74 124.91 1dt7 s LYS 28 Ca -0.02 -0.50 0.26 0.00 0.02 0.00 0.00 55.97 55.73 1dt7 s LYS 28 Cb -0.14 -2.83 1.32 0.00 -0.52 0.00 0.00 37.83 35.66 1dt7 s LYS 28 CO 0.02 0.36 1.75 1.57 -0.92 0.00 0.00 175.35 178.14 1dt7 h LYS 29 N 1.47 0.00 -0.00 1.68 2.10 -1.91 0.46 116.57 120.37 1dt7 h LYS 29 Ca -0.50 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.14 1dt7 h LYS 29 Cb 1.21 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.54 1dt7 h LYS 29 CO 0.64 0.00 -0.05 0.77 -2.00 0.00 0.00 179.45 178.81 1dt7 h SER 30 N 0.00 0.04 0.04 7.07 0.02 -1.91 -2.48 113.55 116.33 1dt7 h SER 30 Ca 0.16 -0.78 -0.08 0.00 -0.84 0.00 0.00 61.79 60.25 1dt7 h SER 30 Cb 1.30 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.82 1dt7 h SER 30 CO -0.00 0.82 -0.23 -0.33 -1.14 0.00 0.00 176.83 175.95 1dt7 h GLU 31 N -0.73 0.33 -0.81 3.45 5.08 -0.74 -2.50 114.58 118.66 1dt7 h GLU 31 Ca -0.01 -0.11 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1dt7 h GLU 31 Cb 0.83 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.01 1dt7 h GLU 31 CO 0.01 0.55 0.49 1.25 -1.00 0.00 0.00 179.01 180.31 1dt7 h LEU 32 N 0.30 0.98 -1.02 1.33 5.85 -0.31 -2.34 115.31 120.11 1dt7 h LEU 32 Ca 0.05 -0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.71 1dt7 h LEU 32 Cb 0.57 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.31 1dt7 h LEU 32 CO 0.04 0.76 0.66 0.50 -0.34 0.00 0.00 178.44 180.05 1dt7 h LYS 33 N 1.12 1.32 -0.21 1.25 3.64 -0.97 -1.82 116.57 120.89 1dt7 h LYS 33 Ca 0.29 -0.08 -0.12 0.00 -1.27 0.00 0.00 60.65 59.47 1dt7 h LYS 33 Cb -0.04 -0.30 -0.01 0.00 -0.41 0.00 0.00 32.23 31.47 1dt7 h LYS 33 CO -0.05 0.87 -0.36 1.49 -2.27 0.00 0.00 179.45 179.13 1dt7 h GLU 34 N 1.35 0.45 -0.05 1.90 4.57 -1.39 0.13 114.58 121.56 1dt7 h GLU 34 Ca 0.36 -0.21 -0.01 0.00 -1.18 0.00 0.00 59.36 58.33 1dt7 h GLU 34 Cb -0.15 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 28.43 1dt7 h GLU 34 CO -0.08 0.76 0.01 1.25 -1.18 0.00 0.00 179.01 179.76 1dt7 h LEU 35 N 0.38 0.08 -0.09 1.64 6.46 -0.91 -0.67 115.31 122.21 1dt7 h LEU 35 Ca 0.04 -0.26 -0.05 0.00 -0.12 0.00 0.00 57.88 57.49 1dt7 h LEU 35 Cb 0.82 -0.02 -0.00 0.00 -0.73 0.00 0.00 40.66 40.73 1dt7 h LEU 35 CO 0.07 0.32 -0.12 0.40 -0.62 0.00 0.00 178.44 178.49 1dt7 h ILE 36 N -0.17 1.38 -0.37 4.05 2.04 -1.23 0.43 117.51 123.64 1dt7 h ILE 36 Ca 0.01 -1.34 -0.14 0.00 1.00 0.00 0.00 64.86 64.40 1dt7 h ILE 36 Cb 0.28 2.06 -0.01 0.00 -0.74 0.00 0.00 36.82 38.40 1dt7 h ILE 36 CO 0.00 0.38 -0.32 -1.13 0.00 0.00 0.00 178.15 177.08 1dt7 h ASN 37 N -0.20 0.87 0.05 1.72 -0.73 -0.79 -3.03 115.58 113.47 1dt7 h ASN 37 Ca 0.01 -0.36 -0.37 0.00 1.87 0.00 0.00 56.30 57.45 1dt7 h ASN 37 Cb 0.67 -0.24 -0.07 0.00 0.27 0.00 0.00 38.32 38.95 1dt7 h ASN 37 CO 0.03 1.12 -2.34 0.59 -0.37 0.00 0.00 177.43 176.46 1dt7 n ASN 38 N -4.07 0.59 0.09 1.15 5.03 -0.26 -4.30 115.26 113.49 1dt7 n ASN 38 Ca -0.01 0.01 0.13 0.00 0.87 0.00 0.00 54.58 55.58 1dt7 n ASN 38 Cb 0.50 0.53 0.43 0.00 -1.02 0.00 0.00 39.78 40.22 1dt7 n ASN 38 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.26 176.64 1dt7 n GLU 39 N -2.91 0.23 -2.95 3.52 0.00 0.15 -3.70 120.64 114.99 1dt7 n GLU 39 Ca -0.34 0.20 -0.31 0.00 0.00 0.00 0.00 57.16 56.70 1dt7 n GLU 39 Cb 1.11 -1.77 -0.03 0.00 0.00 0.00 0.00 31.44 30.75 1dt7 n GLU 39 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1dt7 n LEU 40 N -2.18 5.18 -0.37 4.31 4.77 -1.14 -4.85 117.00 122.72 1dt7 n LEU 40 Ca 0.06 -5.56 -0.02 0.00 -0.03 0.00 0.00 56.01 50.46 1dt7 n LEU 40 Cb 0.41 -0.76 0.12 0.00 -2.33 0.00 0.00 43.42 40.86 1dt7 n LEU 40 CO 0.30 2.20 1.29 0.77 -1.33 0.00 0.00 177.39 180.62 1dt7 h SER 41 N 3.59 1.14 0.00 -1.43 4.64 -1.77 -3.34 113.55 116.38 1dt7 h SER 41 Ca 0.24 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 1dt7 h SER 41 Cb 0.49 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 1dt7 h SER 41 CO 0.94 0.83 0.00 1.57 -0.87 0.00 0.00 176.83 179.30 1dt7 n HIS 42 N -4.38 0.00 0.01 4.77 -0.00 -1.26 -4.86 115.22 109.50 1dt7 n HIS 42 Ca 0.12 -0.02 -0.12 0.00 -0.00 0.00 0.00 57.72 57.70 1dt7 n HIS 42 Cb 0.01 -0.00 -0.07 0.00 -0.00 0.00 0.00 29.99 29.93 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 0.06 -3.40 1.57 3.04 -1.90 -3.47 116.94 112.85 1dt7 h PHE 43 Ca 0.00 -0.00 -0.09 0.00 3.98 0.00 0.00 57.97 61.86 1dt7 h PHE 43 Cb 0.62 -0.02 -0.03 0.00 2.56 0.00 0.00 35.95 39.07 1dt7 h PHE 43 CO 0.00 0.15 0.10 -0.48 -2.02 0.00 0.00 178.31 176.06 1dt7 s LEU 44 N -9.96 0.31 -0.64 0.59 0.05 -1.26 -5.07 118.68 102.70 1dt7 s LEU 44 Ca -0.14 -1.18 -0.27 0.00 0.05 0.00 0.00 54.13 52.58 1dt7 s LEU 44 Cb 0.06 2.33 -0.12 0.00 -2.05 0.00 0.00 46.19 46.41 1dt7 s LEU 44 CO 0.67 -1.50 2.50 1.21 -0.55 0.00 0.00 176.35 178.69 1dt7 n GLU 45 N -0.52 0.73 -0.49 1.48 4.07 -1.26 -4.89 120.64 119.76 1dt7 n GLU 45 Ca -0.05 -0.01 -0.17 0.00 -0.06 0.00 0.00 57.16 56.87 1dt7 n GLU 45 Cb 0.60 -2.87 0.16 0.00 -0.06 0.00 0.00 31.44 29.27 1dt7 n GLU 45 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 1dt7 n GLU 46 N 8.85 -2.54 -3.98 5.31 4.71 -1.26 -4.95 120.64 126.78 1dt7 n GLU 46 Ca 0.46 -0.75 -0.35 0.00 -0.01 0.00 0.00 57.16 56.50 1dt7 n GLU 46 Cb 0.39 -1.49 -0.09 0.00 -1.01 0.00 0.00 31.44 29.25 1dt7 n GLU 46 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 1dt7 s ILE 47 N -2.06 5.00 -0.12 -3.67 -1.09 -1.26 -4.98 121.20 113.02 1dt7 s ILE 47 Ca 0.36 0.03 0.12 0.00 -2.23 0.00 0.00 60.65 58.93 1dt7 s ILE 47 Cb -0.06 -3.22 -0.17 0.00 -1.58 0.00 0.00 42.46 37.43 1dt7 s ILE 47 CO 0.31 0.51 0.08 0.29 -1.23 0.00 0.00 174.94 174.91 1dt7 n LYS 48 N 2.97 1.67 -4.94 2.79 4.76 -1.26 -4.85 118.16 119.30 1dt7 n LYS 48 Ca -0.18 -0.02 -0.31 0.00 -2.87 0.00 0.00 58.31 54.94 1dt7 n LYS 48 Cb 0.53 -1.34 -0.14 0.00 -1.84 0.00 0.00 35.03 32.24 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 -2.40 2.00 0.32 1.97 0.41 -1.26 -5.00 118.70 114.74 1dt7 s GLU 49 Ca -0.06 -1.00 0.26 0.00 -0.41 0.00 0.00 54.97 53.75 1dt7 s GLU 49 Cb 0.05 -2.08 1.06 0.00 -1.78 0.00 0.00 34.13 31.38 1dt7 s GLU 49 CO 0.55 0.54 1.77 0.37 -0.49 0.00 0.00 175.26 178.00 1dt7 h GLN 50 N 4.94 0.00 -0.98 1.61 4.15 -2.01 -2.95 115.11 119.87 1dt7 h GLN 50 Ca -0.46 0.00 0.01 0.00 0.77 0.00 0.00 58.65 58.97 1dt7 h GLN 50 Cb 1.14 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.78 1dt7 h GLN 50 CO 0.46 0.00 0.65 1.05 -1.93 0.00 0.00 178.83 179.06 1dt7 h GLU 51 N 0.00 1.29 -0.82 1.69 4.11 -2.00 -0.72 114.58 118.14 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 0.40 -0.29 -0.04 0.00 0.50 0.00 0.00 28.75 29.32 1dt7 h GLU 51 CO 0.00 0.86 0.54 0.28 0.07 0.00 0.00 179.01 180.76 1dt7 h VAL 52 N 1.33 1.21 -0.21 -1.06 2.07 -1.95 -1.75 116.25 115.89 1dt7 h VAL 52 Ca 0.36 -0.38 -0.12 0.00 0.82 0.00 0.00 66.70 67.38 1dt7 h VAL 52 Cb -0.15 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 29.61 1dt7 h VAL 52 CO -0.08 0.20 -0.37 0.58 0.02 0.00 0.00 177.57 177.93 1dt7 h VAL 53 N 1.10 1.29 -0.17 2.57 2.07 -1.31 -2.09 116.25 119.72 1dt7 h VAL 53 Ca 0.30 -1.48 -0.13 0.00 0.82 0.00 0.00 66.70 66.21 1dt7 h VAL 53 Cb -0.12 1.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 1dt7 h VAL 53 CO -0.07 0.46 -0.47 -0.78 0.02 0.00 0.00 177.57 176.74 1dt7 h ASP 54 N 0.38 0.47 -0.45 0.57 1.82 -0.49 -0.54 116.42 118.17 1dt7 h ASP 54 Ca 0.04 -0.22 -0.14 0.00 -0.39 0.00 0.00 57.03 56.31 1dt7 h ASP 54 Cb 0.82 -0.13 -0.01 0.00 0.68 0.00 0.00 39.33 40.69 1dt7 h ASP 54 CO 0.07 0.87 -0.27 0.50 -1.61 0.00 0.00 179.24 178.79 1dt7 h LYS 55 N 0.35 0.99 -0.29 0.28 3.64 -1.20 -1.08 116.57 119.26 1dt7 h LYS 55 Ca 0.02 -0.45 -0.08 0.00 -1.27 0.00 0.00 60.65 58.86 1dt7 h LYS 55 Cb 0.95 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.74 1dt7 h LYS 55 CO 0.08 1.13 -0.17 0.28 -2.27 0.00 0.00 179.45 178.50 1dt7 h VAL 56 N 0.83 1.25 0.00 2.00 2.07 -1.19 -2.02 116.25 119.19 1dt7 h VAL 56 Ca 0.09 -1.13 -0.09 0.00 0.82 0.00 0.00 66.70 66.39 1dt7 h VAL 56 Cb 0.86 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.84 1dt7 h VAL 56 CO 0.08 0.37 -0.45 0.24 0.02 0.00 0.00 177.57 177.83 1dt7 h MET 57 N 0.47 0.00 -0.78 1.57 2.86 -0.57 0.13 114.93 118.61 1dt7 h MET 57 Ca 0.08 0.00 0.06 0.00 -2.06 0.00 0.00 59.70 57.78 1dt7 h MET 57 Cb 0.57 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.18 1dt7 h MET 57 CO 0.04 0.45 0.51 1.49 1.06 0.00 0.00 176.91 180.46 1dt7 h GLU 58 N 0.00 0.83 0.04 1.72 4.57 -0.44 3.49 114.58 124.79 1dt7 h GLU 58 Ca -0.00 -0.05 -0.09 0.00 -1.18 0.00 0.00 59.36 58.04 1dt7 h GLU 58 Cb 0.84 -0.19 0.01 0.00 -0.16 0.00 0.00 28.75 29.26 1dt7 h GLU 58 CO 0.06 0.55 -0.38 1.15 -1.18 0.00 0.00 179.01 179.21 1dt7 h THR 59 N 0.85 1.60 0.00 0.32 2.02 -1.32 -3.34 112.91 113.04 1dt7 h THR 59 Ca 0.33 -2.25 0.00 0.00 0.77 0.00 0.00 66.41 65.26 1dt7 h THR 59 Cb 0.22 3.07 0.00 0.00 -1.74 0.00 0.00 68.15 69.70 1dt7 h THR 59 CO -0.11 0.62 -0.48 0.18 0.37 0.00 0.00 175.52 176.09 1dt7 n LEU 60 N -4.40 0.49 -3.46 2.58 7.99 -0.04 -4.28 117.00 115.87 1dt7 n LEU 60 Ca -0.11 0.09 -0.40 0.00 -0.01 0.00 0.00 56.01 55.57 1dt7 n LEU 60 Cb 0.61 -0.26 -0.02 0.00 -0.11 0.00 0.00 43.42 43.64 1dt7 n LEU 60 CO 0.41 0.08 3.10 -0.67 -1.51 0.00 0.00 177.39 178.81 1dt7 n ASP 61 N -1.61 7.15 -0.37 -1.43 2.03 1.15 -4.62 116.55 118.86 1dt7 n ASP 61 Ca 0.05 -2.70 0.01 0.00 0.52 0.00 0.00 54.79 52.67 1dt7 n ASP 61 Cb 0.35 -1.58 0.15 0.00 -0.72 0.00 0.00 41.12 39.33 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 5.30 1.21 -0.00 -0.67 5.08 -1.80 0.11 114.58 123.82 1dt7 h GLU 62 Ca 0.76 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 59.05 1dt7 h GLU 62 Cb 0.40 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1dt7 h GLU 62 CO 1.80 0.80 -0.02 -0.40 -1.00 0.00 0.00 179.01 180.19 1dt7 n ASP 63 N -4.46 0.06 -2.20 1.42 5.75 -1.26 -4.90 116.55 110.95 1dt7 n ASP 63 Ca 0.14 -0.06 -0.15 0.00 -0.01 0.00 0.00 54.79 54.71 1dt7 n ASP 63 Cb 0.12 -0.29 0.03 0.00 -1.03 0.00 0.00 41.12 39.95 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 1.33 -0.09 0.58 6.12 0.00 0.39 -4.91 105.19 108.62 1dt7 n GLY 64 Ca 0.13 -0.15 0.08 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.18 2.18 0.00 1.61 5.75 -1.26 -4.94 116.55 118.71 1dt7 n ASP 65 Ca -0.05 -1.59 0.00 0.00 -0.01 0.00 0.00 54.79 53.14 1dt7 n ASP 65 Cb 0.57 0.11 0.00 0.00 -1.03 0.00 0.00 41.12 40.76 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 0.78 2.91 6.12 0.00 -1.26 -4.99 105.19 109.72 1dt7 n GLY 66 Ca 0.09 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.04 0.21 -0.13 1.61 2.02 -1.26 -3.00 118.70 118.11 1dt7 s GLU 67 Ca 0.00 -0.09 -0.00 0.00 0.02 0.00 0.00 54.97 54.89 1dt7 s GLU 67 Cb 0.00 -0.20 -0.02 0.00 0.10 0.00 0.00 34.13 34.01 1dt7 s GLU 67 CO 0.00 0.05 -0.12 0.00 0.02 0.00 0.00 175.26 175.22 1dt7 s ASP 69 N 0.28 5.30 0.56 0.00 -4.77 -1.26 -2.04 116.67 114.74 1dt7 s ASP 69 Ca -0.09 0.85 0.38 0.00 -3.30 0.00 0.00 52.55 50.40 1dt7 s ASP 69 Cb -0.15 -1.67 1.53 0.00 -1.09 0.00 0.00 42.92 41.54 1dt7 s ASP 69 CO 0.05 -1.34 1.72 0.15 0.70 0.00 0.00 175.17 176.45 1dt7 h PHE 70 N -0.53 0.00 -0.03 2.11 3.57 -1.91 0.62 116.94 120.77 1dt7 h PHE 70 Ca -0.45 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.03 1dt7 h PHE 70 Cb 1.27 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.01 1dt7 h PHE 70 CO 0.45 0.00 -0.07 0.37 -2.23 0.00 0.00 178.31 176.83 1dt7 h GLN 71 N 0.00 0.10 -0.46 1.11 4.15 -1.91 -0.01 115.11 118.09 1dt7 h GLN 71 Ca 0.60 -0.07 -0.14 0.00 0.77 0.00 0.00 58.65 59.81 1dt7 h GLN 71 Cb 2.52 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 30.21 1dt7 h GLN 71 CO -0.01 0.66 -0.27 0.93 -1.93 0.00 0.00 178.83 178.21 1dt7 h GLU 72 N -0.44 0.98 0.00 1.69 5.08 -0.33 -2.67 114.58 118.89 1dt7 h GLU 72 Ca 0.00 -0.45 -0.07 0.00 -1.00 0.00 0.00 59.36 57.84 1dt7 h GLU 72 Cb 0.65 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 1dt7 h GLU 72 CO 0.01 1.12 -0.35 0.35 -1.00 0.00 0.00 179.01 179.14 1dt7 h PHE 73 N 0.83 0.00 -0.99 4.33 3.04 -0.32 -2.72 116.94 121.11 1dt7 h PHE 73 Ca 0.10 0.00 0.01 0.00 3.98 0.00 0.00 57.97 62.06 1dt7 h PHE 73 Cb 0.85 0.00 -0.05 0.00 2.56 0.00 0.00 35.95 39.31 1dt7 h PHE 73 CO 0.06 0.35 0.65 0.52 -2.02 0.00 0.00 178.31 177.87 1dt7 h MET 74 N 0.00 1.30 -0.12 1.11 2.86 -0.63 -1.39 114.93 118.07 1dt7 h MET 74 Ca -0.00 -0.08 -0.12 0.00 -2.06 0.00 0.00 59.70 57.43 1dt7 h MET 74 Cb 0.75 -0.29 -0.01 0.00 0.06 0.00 0.00 31.60 32.10 1dt7 h MET 74 CO 0.05 0.86 -0.47 0.00 1.06 0.00 0.00 176.91 178.42 1dt7 h ALA 75 N 1.38 0.99 -0.95 6.32 0.00 -1.42 -3.00 119.26 122.58 1dt7 h ALA 75 Ca 0.36 -0.45 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1dt7 h ALA 75 Cb -0.15 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.50 1dt7 h ALA 75 CO -0.08 0.64 0.58 0.35 0.00 0.00 0.00 179.25 180.74 1dt7 h PHE 76 N 0.23 1.25 -0.68 0.00 3.57 -1.20 -2.20 116.94 117.92 1dt7 h PHE 76 Ca 0.01 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1dt7 h PHE 76 Cb 0.91 -0.41 -0.03 0.00 2.79 0.00 0.00 35.95 39.21 1dt7 h PHE 76 CO 0.02 0.82 0.43 0.28 -2.23 0.00 0.00 178.31 177.63 1dt7 h VAL 77 N 1.31 1.18 -0.44 1.41 2.07 -1.33 -2.18 116.25 118.28 1dt7 h VAL 77 Ca 0.34 -0.37 -0.15 0.00 0.82 0.00 0.00 66.70 67.35 1dt7 h VAL 77 Cb -0.07 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 29.90 1dt7 h VAL 77 CO -0.07 0.18 -0.29 0.28 0.02 0.00 0.00 177.57 177.69 1dt7 h SER 78 N 0.92 1.02 -0.00 0.57 0.02 -1.43 -1.61 113.55 113.05 1dt7 h SER 78 Ca 0.25 -0.43 -0.00 0.00 -0.84 0.00 0.00 61.79 60.77 1dt7 h SER 78 Cb -0.07 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 62.18 1dt7 h SER 78 CO -0.05 1.23 0.00 0.24 -1.14 0.00 0.00 176.83 177.11 1dt7 h MET 79 N 0.82 0.00 -0.06 3.45 2.07 -1.09 -2.29 114.93 117.83 1dt7 h MET 79 Ca 0.09 -0.00 -0.09 0.00 -2.07 0.00 0.00 59.70 57.63 1dt7 h MET 79 Cb 0.88 -0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 30.60 1dt7 h MET 79 CO 0.08 0.08 -0.37 0.28 1.07 0.00 0.00 176.91 178.05 1dt7 h VAL 80 N -0.08 1.28 -1.01 -2.22 2.07 -1.44 -2.61 116.25 112.24 1dt7 h VAL 80 Ca 0.00 -1.36 0.01 0.00 0.82 0.00 0.00 66.70 66.17 1dt7 h VAL 80 Cb 0.08 1.66 -0.05 0.00 -1.52 0.00 0.00 31.29 31.46 1dt7 h VAL 80 CO -0.00 0.40 0.67 0.74 0.02 0.00 0.00 177.57 179.40 1dt7 h THR 81 N 0.10 1.26 -1.00 2.57 2.02 -0.96 -1.28 112.91 115.63 1dt7 h THR 81 Ca 0.01 -0.47 0.01 0.00 0.77 0.00 0.00 66.41 66.73 1dt7 h THR 81 Cb 0.71 -0.23 -0.05 0.00 -1.74 0.00 0.00 68.15 66.85 1dt7 h THR 81 CO 0.05 0.25 0.66 0.74 0.37 0.00 0.00 175.52 177.59 1dt7 h THR 82 N 1.36 1.25 -0.98 3.16 2.02 -1.02 -1.05 112.91 117.66 1dt7 h THR 82 Ca 0.37 -0.46 0.00 0.00 0.77 0.00 0.00 66.41 67.09 1dt7 h THR 82 Cb -0.16 -0.22 -0.05 0.00 -1.74 0.00 0.00 68.15 65.99 1dt7 h THR 82 CO -0.08 0.25 0.63 0.00 0.37 0.00 0.00 175.52 176.68 1dt7 h ALA 83 N 1.37 1.26 -0.28 6.16 0.00 -1.20 -1.23 119.26 125.34 1dt7 h ALA 83 Ca 0.37 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1dt7 h ALA 83 Cb -0.15 -0.40 -0.01 0.00 0.00 0.00 0.00 17.79 17.23 1dt7 h ALA 83 CO -0.08 0.67 0.18 0.00 0.00 0.00 0.00 179.25 180.01 1dt7 h HIS 85 N 0.37 1.25 -1.00 0.00 6.17 -0.77 0.59 115.15 121.77 1dt7 h HIS 85 Ca 0.10 0.03 0.01 0.00 0.71 0.00 0.00 60.37 61.22 1dt7 h HIS 85 Cb -0.04 -0.42 -0.05 0.00 2.52 0.00 0.00 27.41 29.42 1dt7 h HIS 85 CO 0.00 0.78 0.66 1.49 0.71 0.00 0.00 177.93 181.57 1dt7 h GLU 86 N 1.35 1.32 0.00 5.26 4.57 -1.18 -0.21 114.58 125.68 1dt7 h GLU 86 Ca 0.37 -0.08 -0.04 0.00 -1.18 0.00 0.00 59.36 58.42 1dt7 h GLU 86 Cb -0.15 -0.29 -0.01 0.00 -0.16 0.00 0.00 28.75 28.14 1dt7 h GLU 86 CO -0.08 0.88 -0.20 0.74 -1.18 0.00 0.00 179.01 179.16 1dt7 h PHE 87 N 1.35 0.00 -0.00 0.92 0.04 -0.89 -3.02 116.94 115.34 1dt7 h PHE 87 Ca 0.36 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.13 1dt7 h PHE 87 Cb -0.15 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.00 1dt7 h PHE 87 CO 0.00 0.20 -0.27 0.34 -0.60 0.00 0.00 178.31 177.98 1dt7 n PHE 88 N -3.20 0.00 -2.83 -0.55 -0.00 0.19 -4.61 117.46 106.47 1dt7 n PHE 88 Ca 0.02 0.00 -0.43 0.00 -0.00 0.00 0.00 57.45 57.04 1dt7 n PHE 88 Cb 0.55 -0.36 -0.03 0.00 -0.00 0.00 0.00 39.48 39.63 1dt7 n PHE 88 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.76 175.55 1dt7 s GLU 89 N -3.00 3.32 0.25 -4.13 0.41 -0.24 -4.86 118.70 110.45 1dt7 s GLU 89 Ca 0.12 -1.12 -0.06 0.00 -0.41 0.00 0.00 54.97 53.51 1dt7 s GLU 89 Cb 0.18 -4.55 0.27 0.00 -1.78 0.00 0.00 34.13 28.25 1dt7 s GLU 89 CO 0.62 -1.86 1.93 0.45 -0.49 0.00 0.00 175.26 175.90 1dt7 h HIS 90 N 9.39 1.25 0.00 1.61 3.86 -1.86 -3.49 115.15 125.91 1dt7 h HIS 90 Ca -0.10 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.13 1dt7 h HIS 90 Cb 1.05 -0.42 0.00 0.00 1.06 0.00 0.00 27.41 29.10 1dt7 h HIS 90 CO 1.07 0.80 0.00 -1.91 0.86 0.00 0.00 177.93 178.75