#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 -2.78 -0.36 6.12 3.41 -1.26 -4.69 113.62 114.06 1dt7 n SER 1 Ca 0.00 0.25 0.00 0.00 -0.26 0.00 0.00 58.87 58.86 1dt7 n SER 1 Cb 0.00 -2.67 0.00 0.00 -0.26 0.00 0.00 64.21 61.28 1dt7 n SER 1 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1dt7 n GLU 2 N -1.61 0.81 0.19 4.33 1.02 -1.26 -3.73 120.64 120.40 1dt7 n GLU 2 Ca -0.10 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.12 1dt7 n GLU 2 Cb 0.34 -1.29 0.60 0.00 -0.02 0.00 0.00 31.44 31.07 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 0.14 0.10 -0.87 -4.62 5.85 -2.01 -0.91 115.31 112.99 1dt7 h LEU 3 Ca 0.00 -0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.67 1dt7 h LEU 3 Cb 0.29 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.26 1dt7 h LEU 3 CO 0.00 0.07 0.27 1.05 -0.34 0.00 0.00 178.44 179.49 1dt7 h GLU 4 N 0.12 1.10 -0.74 1.25 4.11 -1.97 -2.17 114.58 116.27 1dt7 h GLU 4 Ca 0.04 -0.21 -0.06 0.00 0.07 0.00 0.00 59.36 59.20 1dt7 h GLU 4 Cb 0.04 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.08 1dt7 h GLU 4 CO -0.01 0.91 0.21 -0.22 0.07 0.00 0.00 179.01 179.97 1dt7 h LYS 5 N 1.07 1.16 -0.37 1.06 3.64 -1.47 -2.62 116.57 119.03 1dt7 h LYS 5 Ca 0.24 -0.26 -0.17 0.00 -1.27 0.00 0.00 60.65 59.19 1dt7 h LYS 5 Cb 0.24 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 31.89 1dt7 h LYS 5 CO -0.02 1.00 -0.42 0.00 -2.27 0.00 0.00 179.45 177.75 1dt7 h ALA 6 N 1.11 0.55 -0.94 5.00 0.00 -1.25 -2.08 119.26 121.65 1dt7 h ALA 6 Ca 0.24 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1dt7 h ALA 6 Cb 0.34 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 1dt7 h ALA 6 CO -0.00 0.68 0.55 0.52 0.00 0.00 0.00 179.25 181.00 1dt7 h MET 7 N 0.76 1.28 -0.42 0.00 2.86 -1.28 -1.96 114.93 116.18 1dt7 h MET 7 Ca 0.05 -0.13 -0.12 0.00 -2.06 0.00 0.00 59.70 57.45 1dt7 h MET 7 Cb 1.02 -0.26 -0.01 0.00 0.06 0.00 0.00 31.60 32.40 1dt7 h MET 7 CO 0.10 0.91 -0.22 0.28 1.06 0.00 0.00 176.91 179.04 1dt7 h VAL 8 N 1.30 1.27 -0.79 -2.22 2.07 -1.38 -3.12 116.25 113.39 1dt7 h VAL 8 Ca 0.33 -1.34 -0.05 0.00 0.82 0.00 0.00 66.70 66.46 1dt7 h VAL 8 Cb -0.03 1.18 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 1dt7 h VAL 8 CO -0.06 0.45 0.29 0.00 0.02 0.00 0.00 177.57 178.28 1dt7 h ALA 9 N 1.03 1.02 -1.00 1.67 0.00 -0.64 -2.08 119.26 119.25 1dt7 h ALA 9 Ca 0.10 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.81 1dt7 h ALA 9 Cb 0.74 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 1dt7 h ALA 9 CO 0.06 0.67 0.67 -0.07 0.00 0.00 0.00 179.25 180.57 1dt7 h LEU 10 N 1.15 1.15 -0.55 0.00 3.38 -1.37 -2.29 115.31 116.79 1dt7 h LEU 10 Ca 0.26 -0.03 -0.12 0.00 0.09 0.00 0.00 57.88 58.09 1dt7 h LEU 10 Cb 0.25 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1dt7 h LEU 10 CO -0.02 0.83 -0.11 0.40 0.09 0.00 0.00 178.44 179.64 1dt7 h ILE 11 N 1.36 1.27 -0.39 1.22 2.04 -1.46 -2.76 117.51 118.79 1dt7 h ILE 11 Ca 0.37 -1.27 -0.01 0.00 1.00 0.00 0.00 64.86 64.94 1dt7 h ILE 11 Cb -0.15 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 36.87 1dt7 h ILE 11 CO -0.08 0.45 0.19 0.44 0.00 0.00 0.00 178.15 179.15 1dt7 h ASP 12 N 0.92 0.50 -0.45 1.72 3.32 -0.82 -2.91 116.42 118.70 1dt7 h ASP 12 Ca 0.14 -0.12 -0.09 0.00 0.02 0.00 0.00 57.03 56.98 1dt7 h ASP 12 Cb 0.68 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.08 1dt7 h ASP 12 CO 0.05 0.48 -0.03 1.62 -1.72 0.00 0.00 179.24 179.64 1dt7 h VAL 13 N 0.49 1.26 -0.92 -1.35 3.04 -1.49 -2.82 116.25 114.46 1dt7 h VAL 13 Ca 0.13 -1.10 0.17 0.00 -1.01 0.00 0.00 66.70 64.89 1dt7 h VAL 13 Cb 0.11 0.90 -0.10 0.00 -2.01 0.00 0.00 31.29 30.19 1dt7 h VAL 13 CO -0.02 0.39 0.50 0.15 -1.01 0.00 0.00 177.57 177.58 1dt7 h PHE 14 N 0.81 0.88 0.00 3.17 3.04 -1.29 0.76 116.94 124.30 1dt7 h PHE 14 Ca 0.15 0.03 -0.05 0.00 3.98 0.00 0.00 57.97 62.08 1dt7 h PHE 14 Cb 0.53 -0.25 -0.01 0.00 2.56 0.00 0.00 35.95 38.78 1dt7 h PHE 14 CO 0.03 0.19 -0.24 1.25 -2.02 0.00 0.00 178.31 177.52 1dt7 h HIS 15 N 0.66 0.00 -0.94 0.41 2.76 -1.45 -2.15 115.15 114.44 1dt7 h HIS 15 Ca 0.52 0.00 0.08 0.00 -2.20 0.00 0.00 60.37 58.76 1dt7 h HIS 15 Cb 0.78 0.00 -0.07 0.00 1.55 0.00 0.00 27.41 29.67 1dt7 h HIS 15 CO -0.06 0.24 0.59 1.96 -1.30 0.00 0.00 177.93 179.36 1dt7 h GLN 16 N 0.00 1.01 0.00 5.26 1.08 -0.65 -3.23 115.11 118.58 1dt7 h GLN 16 Ca -0.00 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.14 1dt7 h GLN 16 Cb 1.12 -0.23 0.00 0.00 -0.05 0.00 0.00 27.48 28.33 1dt7 h GLN 16 CO 0.03 0.67 -0.96 2.48 -0.95 0.00 0.00 178.83 180.10 1dt7 n TYR 17 N -4.59 0.00 -0.38 2.96 4.11 -1.23 -4.68 117.16 113.35 1dt7 n TYR 17 Ca 0.15 0.00 -0.02 0.00 -0.00 0.00 0.00 57.90 58.03 1dt7 n TYR 17 Cb 0.22 0.00 0.11 0.00 -0.00 0.00 0.00 39.34 39.67 1dt7 n TYR 17 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.86 177.52 1dt7 h SER 18 N 0.00 1.16 0.03 9.48 4.64 -1.49 0.32 113.55 127.69 1dt7 h SER 18 Ca 0.00 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1dt7 h SER 18 Cb 0.29 -0.29 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1dt7 h SER 18 CO 0.00 0.84 0.00 0.61 -0.87 0.00 0.00 176.83 177.41 1dt7 n GLY 19 N -1.38 -0.51 0.28 -0.77 0.00 -1.22 -3.02 105.19 98.57 1dt7 n GLY 19 Ca 0.12 -0.09 -0.06 0.00 0.00 0.00 0.00 46.02 45.99 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 0.96 -6.05 1.61 2.43 -0.63 -3.44 114.38 109.26 1dt7 h ARG 20 Ca 0.00 -0.10 -0.57 0.00 -0.81 0.00 0.00 59.98 58.51 1dt7 h ARG 20 Cb 0.01 -0.20 -0.09 0.00 -0.42 0.00 0.00 29.97 29.28 1dt7 h ARG 20 CO 0.00 0.69 -0.58 -1.21 -1.51 0.00 0.00 179.97 177.37 1dt7 s GLU 21 N -5.94 2.22 0.55 0.20 0.41 -1.17 -4.99 118.70 109.98 1dt7 s GLU 21 Ca -0.13 -1.66 0.32 0.00 -0.41 0.00 0.00 54.97 53.09 1dt7 s GLU 21 Cb 0.14 -2.04 1.48 0.00 -1.78 0.00 0.00 34.13 31.93 1dt7 s GLU 21 CO 0.79 0.12 1.84 0.78 -0.49 0.00 0.00 175.26 178.30 1dt7 h GLY 22 N 1.68 0.00 -4.83 -1.39 0.00 -1.86 -2.77 103.07 93.90 1dt7 h GLY 22 Ca -0.43 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 46.72 1dt7 h GLY 22 CO 0.65 0.00 0.87 1.22 0.00 0.00 0.00 176.54 179.28 1dt7 n ASP 23 N -4.09 3.26 -0.32 0.19 8.00 -1.26 -4.43 116.55 117.90 1dt7 n ASP 23 Ca 0.19 -2.09 -0.05 0.00 0.71 0.00 0.00 54.79 53.55 1dt7 n ASP 23 Cb 1.01 -0.83 0.08 0.00 -0.02 0.00 0.00 41.12 41.36 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 5.16 1.24 -0.02 -1.24 3.11 -1.62 -2.52 116.57 120.67 1dt7 h LYS 24 Ca 0.21 -0.18 0.00 0.00 -2.81 0.00 0.00 60.65 57.88 1dt7 h LYS 24 Cb 0.56 -0.23 0.00 0.00 -1.00 0.00 0.00 32.23 31.56 1dt7 h LYS 24 CO 0.72 0.94 0.00 -2.39 -2.81 0.00 0.00 179.45 175.91 1dt7 n HIS 25 N -4.31 0.00 -4.01 1.91 1.44 -1.26 -4.59 115.22 104.39 1dt7 n HIS 25 Ca 0.09 -0.00 -0.08 0.00 -2.01 0.00 0.00 57.72 55.72 1dt7 n HIS 25 Cb 0.13 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.15 1dt7 n HIS 25 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 1dt7 s LYS 26 N -2.00 0.58 -0.23 -1.40 1.02 -0.95 -4.34 119.74 112.43 1dt7 s LYS 26 Ca 0.36 -0.99 -0.05 0.00 0.02 0.00 0.00 55.97 55.31 1dt7 s LYS 26 Cb 0.21 0.21 -0.01 0.00 -0.52 0.00 0.00 37.83 37.72 1dt7 s LYS 26 CO 0.33 -0.12 -0.02 -0.51 -0.92 0.00 0.00 175.35 174.11 1dt7 s LEU 27 N -2.50 3.02 0.22 3.17 2.01 -0.91 -4.63 118.68 119.07 1dt7 s LEU 27 Ca 0.00 -0.35 -0.08 0.00 0.01 0.00 0.00 54.13 53.72 1dt7 s LEU 27 Cb 0.03 -1.78 -0.07 0.00 0.01 0.00 0.00 46.19 44.38 1dt7 s LEU 27 CO -0.07 -0.02 0.52 -0.75 1.01 0.00 0.00 176.35 177.04 1dt7 s LYS 28 N 1.49 3.75 0.62 1.70 2.20 -1.26 -0.83 119.74 127.41 1dt7 s LYS 28 Ca 0.06 0.18 0.22 0.00 -0.36 0.00 0.00 55.97 56.07 1dt7 s LYS 28 Cb -0.14 -2.68 0.95 0.00 -1.51 0.00 0.00 37.83 34.44 1dt7 s LYS 28 CO -0.02 0.33 1.46 1.57 -0.36 0.00 0.00 175.35 178.34 1dt7 h LYS 29 N 2.50 0.00 0.02 4.03 2.10 -1.89 1.00 116.57 124.33 1dt7 h LYS 29 Ca -0.47 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.18 1dt7 h LYS 29 Cb 1.17 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.50 1dt7 h LYS 29 CO 0.69 0.00 -0.01 0.77 -2.00 0.00 0.00 179.45 178.90 1dt7 h SER 30 N 0.00 -0.03 -0.36 7.07 0.02 -1.90 -2.48 113.55 115.87 1dt7 h SER 30 Ca 0.24 -0.68 -0.06 0.00 -0.84 0.00 0.00 61.79 60.45 1dt7 h SER 30 Cb 1.98 0.01 -0.02 0.00 0.14 0.00 0.00 62.40 64.50 1dt7 h SER 30 CO -0.00 0.77 0.03 -0.08 -1.14 0.00 0.00 176.83 176.41 1dt7 h GLU 31 N -0.93 0.71 -0.98 3.45 4.57 0.15 -2.03 114.58 119.52 1dt7 h GLU 31 Ca -0.00 -0.17 0.01 0.00 -1.18 0.00 0.00 59.36 58.02 1dt7 h GLU 31 Cb 0.71 -0.10 -0.05 0.00 -0.16 0.00 0.00 28.75 29.16 1dt7 h GLU 31 CO 0.01 0.70 0.65 1.25 -1.18 0.00 0.00 179.01 180.44 1dt7 h LEU 32 N 0.67 1.12 -1.20 1.64 5.85 0.55 -1.04 115.31 122.90 1dt7 h LEU 32 Ca 0.14 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.84 1dt7 h LEU 32 Cb 0.37 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 1dt7 h LEU 32 CO 0.01 0.81 0.52 0.50 -0.34 0.00 0.00 178.44 179.95 1dt7 h LYS 33 N 1.32 1.06 -0.96 1.25 3.64 -0.88 -1.51 116.57 120.49 1dt7 h LYS 33 Ca 0.36 -0.07 0.01 0.00 -1.27 0.00 0.00 60.65 59.68 1dt7 h LYS 33 Cb -0.15 -0.24 -0.05 0.00 -0.41 0.00 0.00 32.23 31.38 1dt7 h LYS 33 CO -0.08 0.71 0.64 0.93 -2.27 0.00 0.00 179.45 179.38 1dt7 h GLU 34 N 1.09 1.27 0.05 1.90 4.39 -0.95 2.02 114.58 124.35 1dt7 h GLU 34 Ca 0.29 -0.08 -0.00 0.00 0.34 0.00 0.00 59.36 59.91 1dt7 h GLU 34 Cb -0.11 -0.29 0.00 0.00 -0.10 0.00 0.00 28.75 28.25 1dt7 h GLU 34 CO -0.06 0.84 -0.02 1.25 -1.16 0.00 0.00 179.01 179.85 1dt7 h LEU 35 N 1.30 -0.05 -0.01 1.33 7.12 -0.97 0.22 115.31 124.25 1dt7 h LEU 35 Ca 0.35 0.00 -0.04 0.00 0.13 0.00 0.00 57.88 58.33 1dt7 h LEU 35 Cb -0.15 0.01 0.00 0.00 -0.53 0.00 0.00 40.66 40.00 1dt7 h LEU 35 CO -0.08 -0.04 -0.14 0.40 -0.13 0.00 0.00 178.44 178.46 1dt7 h ILE 36 N -0.06 1.56 0.08 4.05 2.04 -0.88 -2.93 117.51 121.36 1dt7 h ILE 36 Ca -0.01 -1.83 -0.13 0.00 1.00 0.00 0.00 64.86 63.90 1dt7 h ILE 36 Cb 0.05 2.73 0.01 0.00 -0.74 0.00 0.00 36.82 38.87 1dt7 h ILE 36 CO 0.01 0.49 -0.58 -1.13 0.00 0.00 0.00 178.15 176.94 1dt7 h ASN 37 N -0.59 0.27 0.20 1.72 -0.73 0.32 -3.08 115.58 113.69 1dt7 h ASN 37 Ca -0.02 -0.94 -0.32 0.00 1.87 0.00 0.00 56.30 56.89 1dt7 h ASN 37 Cb 0.88 -0.09 0.04 0.00 0.27 0.00 0.00 38.32 39.42 1dt7 h ASN 37 CO 0.03 1.27 -1.38 -1.13 -0.37 0.00 0.00 177.43 175.85 1dt7 h ASN 38 N -0.63 0.87 1.04 1.15 -1.24 -0.70 -3.29 115.58 112.78 1dt7 h ASN 38 Ca -0.11 -0.87 -0.02 0.00 0.71 0.00 0.00 56.30 56.01 1dt7 h ASN 38 Cb 1.40 -0.28 -0.00 0.00 0.73 0.00 0.00 38.32 40.17 1dt7 h ASN 38 CO 0.07 1.67 -0.97 -0.08 -1.29 0.00 0.00 177.43 176.83 1dt7 h GLU 39 N 0.21 0.00 -2.07 6.67 4.81 -0.93 -3.38 114.58 119.89 1dt7 h GLU 39 Ca -0.23 0.00 -0.57 0.00 -0.13 0.00 0.00 59.36 58.43 1dt7 h GLU 39 Cb 2.06 0.00 -0.42 0.00 0.63 0.00 0.00 28.75 31.03 1dt7 h GLU 39 CO 0.26 0.04 -0.72 1.28 -0.73 0.00 0.00 179.01 179.14 1dt7 n LEU 40 N -2.74 4.16 -0.37 1.64 4.77 -1.16 -4.86 117.00 118.44 1dt7 n LEU 40 Ca -0.01 -5.48 -0.02 0.00 -0.03 0.00 0.00 56.01 50.47 1dt7 n LEU 40 Cb 0.58 -0.41 0.11 0.00 -2.33 0.00 0.00 43.42 41.37 1dt7 n LEU 40 CO 0.40 2.31 1.29 0.77 -1.33 0.00 0.00 177.39 180.82 1dt7 h SER 41 N 2.90 1.15 0.00 -1.43 4.64 -1.75 -3.28 113.55 115.78 1dt7 h SER 41 Ca 0.16 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1dt7 h SER 41 Cb 0.65 -0.29 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 1dt7 h SER 41 CO 0.79 0.85 -0.61 1.57 -0.87 0.00 0.00 176.83 178.55 1dt7 n HIS 42 N -4.37 0.00 -0.32 4.77 -0.00 -1.26 -4.19 115.22 109.85 1dt7 n HIS 42 Ca 0.12 0.00 -0.04 0.00 -0.00 0.00 0.00 57.72 57.79 1dt7 n HIS 42 Cb 0.02 0.00 0.09 0.00 -0.00 0.00 0.00 29.99 30.10 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 1.24 -2.90 1.57 3.57 -1.89 -3.44 116.94 115.08 1dt7 h PHE 43 Ca 0.00 -0.05 -0.44 0.00 3.53 0.00 0.00 57.97 61.01 1dt7 h PHE 43 Cb 0.20 -0.39 -0.14 0.00 2.79 0.00 0.00 35.95 38.41 1dt7 h PHE 43 CO 0.00 0.87 -0.73 -1.17 -2.23 0.00 0.00 178.31 175.05 1dt7 s LEU 44 N -9.86 2.56 -0.24 0.59 2.96 -1.24 -5.05 118.68 108.40 1dt7 s LEU 44 Ca -0.13 -1.02 -0.32 0.00 -0.22 0.00 0.00 54.13 52.44 1dt7 s LEU 44 Cb 0.17 -0.66 -0.09 0.00 0.50 0.00 0.00 46.19 46.11 1dt7 s LEU 44 CO 0.83 -0.18 2.13 -1.84 -1.32 0.00 0.00 176.35 175.98 1dt7 n GLU 45 N -0.37 1.65 -2.02 1.98 0.28 -1.26 -4.60 120.64 116.30 1dt7 n GLU 45 Ca -0.08 0.50 -0.40 0.00 -0.16 0.00 0.00 57.16 57.02 1dt7 n GLU 45 Cb 0.60 -2.78 -0.01 0.00 1.43 0.00 0.00 31.44 30.68 1dt7 n GLU 45 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 1dt7 s GLU 46 N 5.78 4.04 -0.14 3.44 2.12 -1.26 -4.92 118.70 127.77 1dt7 s GLU 46 Ca 1.03 2.23 -0.11 0.00 0.36 0.00 0.00 54.97 58.48 1dt7 s GLU 46 Cb -0.63 -2.84 -0.05 0.00 0.26 0.00 0.00 34.13 30.88 1dt7 s GLU 46 CO 0.45 -0.46 0.22 0.42 -0.54 0.00 0.00 175.26 175.34 1dt7 s ILE 47 N -1.22 5.36 -0.08 -3.70 1.01 -1.26 -4.98 121.20 116.34 1dt7 s ILE 47 Ca 0.55 0.38 0.14 0.00 0.00 0.00 0.00 60.65 61.72 1dt7 s ILE 47 Cb -0.40 -3.53 -0.20 0.00 0.01 0.00 0.00 42.46 38.35 1dt7 s ILE 47 CO 0.52 0.50 0.18 0.29 0.00 0.00 0.00 174.94 176.43 1dt7 n LYS 48 N 2.84 1.11 -4.32 2.79 4.76 -1.26 -4.82 118.16 119.26 1dt7 n LYS 48 Ca -0.16 -0.07 -0.31 0.00 -2.87 0.00 0.00 58.31 54.91 1dt7 n LYS 48 Cb 0.53 -1.35 -0.10 0.00 -1.84 0.00 0.00 35.03 32.27 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 -2.68 2.29 0.35 1.97 0.41 -1.26 -4.99 118.70 114.79 1dt7 s GLU 49 Ca -0.06 -0.92 0.27 0.00 -0.41 0.00 0.00 54.97 53.85 1dt7 s GLU 49 Cb 0.07 -2.38 1.00 0.00 -1.78 0.00 0.00 34.13 31.04 1dt7 s GLU 49 CO 0.59 0.54 1.79 1.96 -0.49 0.00 0.00 175.26 179.65 1dt7 h GLN 50 N 3.92 0.00 -0.62 1.61 1.08 -2.01 -3.13 115.11 115.96 1dt7 h GLN 50 Ca -0.48 0.00 -0.10 0.00 -1.45 0.00 0.00 58.65 56.62 1dt7 h GLN 50 Cb 1.17 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.57 1dt7 h GLN 50 CO 0.53 0.00 0.02 1.05 -0.95 0.00 0.00 178.83 179.48 1dt7 h GLU 51 N 0.00 1.09 -1.00 1.46 4.11 -1.99 -1.45 114.58 116.80 1dt7 h GLU 51 Ca 0.00 -0.34 0.01 0.00 0.07 0.00 0.00 59.36 59.10 1dt7 h GLU 51 Cb 0.52 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.62 1dt7 h GLU 51 CO 0.00 1.05 0.66 0.28 0.07 0.00 0.00 179.01 181.07 1dt7 h VAL 52 N 1.00 1.26 -0.23 -1.06 2.07 -1.98 -0.59 116.25 116.72 1dt7 h VAL 52 Ca 0.18 -0.48 -0.09 0.00 0.82 0.00 0.00 66.70 67.13 1dt7 h VAL 52 Cb 0.55 -0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.09 1dt7 h VAL 52 CO 0.03 0.25 -0.24 0.58 0.02 0.00 0.00 177.57 178.21 1dt7 h VAL 53 N 1.36 1.26 -0.62 2.57 2.07 -1.60 -1.93 116.25 119.35 1dt7 h VAL 53 Ca 0.37 -1.22 -0.07 0.00 0.82 0.00 0.00 66.70 66.60 1dt7 h VAL 53 Cb -0.15 1.35 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 1dt7 h VAL 53 CO -0.08 0.39 0.12 -0.78 0.02 0.00 0.00 177.57 177.24 1dt7 h ASP 54 N 0.39 0.95 -0.35 0.57 1.82 -0.05 0.14 116.42 119.88 1dt7 h ASP 54 Ca 0.06 -0.21 -0.16 0.00 -0.39 0.00 0.00 57.03 56.33 1dt7 h ASP 54 Cb 0.64 -0.25 -0.01 0.00 0.68 0.00 0.00 39.33 40.39 1dt7 h ASP 54 CO 0.05 0.94 -0.41 0.50 -1.61 0.00 0.00 179.24 178.70 1dt7 h LYS 55 N 0.95 0.92 0.00 0.28 3.64 -1.04 -2.37 116.57 118.94 1dt7 h LYS 55 Ca 0.20 -0.50 -0.07 0.00 -1.27 0.00 0.00 60.65 59.01 1dt7 h LYS 55 Cb 0.38 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 1dt7 h LYS 55 CO 0.01 1.15 -0.32 0.28 -2.27 0.00 0.00 179.45 178.30 1dt7 h VAL 56 N 0.74 0.99 -0.53 2.00 2.07 -1.02 -2.24 116.25 118.27 1dt7 h VAL 56 Ca 0.05 -1.19 -0.09 0.00 0.82 0.00 0.00 66.70 66.29 1dt7 h VAL 56 Cb 1.01 1.69 -0.02 0.00 -1.52 0.00 0.00 31.29 32.44 1dt7 h VAL 56 CO 0.10 0.31 -0.04 0.24 0.02 0.00 0.00 177.57 178.20 1dt7 h MET 57 N 0.00 0.93 -0.99 1.57 2.86 -0.23 0.19 114.93 119.26 1dt7 h MET 57 Ca -0.00 -0.29 0.09 0.00 -2.06 0.00 0.00 59.70 57.43 1dt7 h MET 57 Cb 0.66 -0.09 -0.07 0.00 0.06 0.00 0.00 31.60 32.17 1dt7 h MET 57 CO 0.04 0.95 0.63 1.49 1.06 0.00 0.00 176.91 181.08 1dt7 h GLU 58 N 0.85 1.04 0.06 1.72 4.81 -1.01 3.37 114.58 125.41 1dt7 h GLU 58 Ca 0.15 -0.06 -0.13 0.00 -0.13 0.00 0.00 59.36 59.19 1dt7 h GLU 58 Cb 0.56 -0.23 0.01 0.00 0.63 0.00 0.00 28.75 29.72 1dt7 h GLU 58 CO 0.03 0.69 -0.55 1.15 -0.73 0.00 0.00 179.01 179.60 1dt7 h THR 59 N 1.07 1.53 0.00 0.32 2.02 -1.37 -3.35 112.91 113.12 1dt7 h THR 59 Ca 0.46 -2.26 0.00 0.00 0.77 0.00 0.00 66.41 65.37 1dt7 h THR 59 Cb 0.32 2.96 0.00 0.00 -1.74 0.00 0.00 68.15 69.69 1dt7 h THR 59 CO -0.21 0.64 -0.82 0.18 0.37 0.00 0.00 175.52 175.68 1dt7 n LEU 60 N -4.28 0.70 -3.39 2.58 4.77 0.60 -4.32 117.00 113.65 1dt7 n LEU 60 Ca -0.12 0.18 -0.40 0.00 -0.03 0.00 0.00 56.01 55.64 1dt7 n LEU 60 Cb 0.68 -0.13 -0.02 0.00 -2.33 0.00 0.00 43.42 41.61 1dt7 n LEU 60 CO 0.45 -0.05 3.20 -0.67 -1.33 0.00 0.00 177.39 178.99 1dt7 n ASP 61 N -2.18 7.97 -0.28 -1.43 -0.08 1.12 -4.56 116.55 117.11 1dt7 n ASP 61 Ca 0.02 -2.67 -0.00 0.00 -1.51 0.00 0.00 54.79 50.63 1dt7 n ASP 61 Cb 0.46 -1.56 0.20 0.00 2.34 0.00 0.00 41.12 42.56 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 5.12 1.12 0.00 -0.67 5.08 -1.79 0.30 114.58 123.74 1dt7 h GLU 62 Ca 0.81 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 59.11 1dt7 h GLU 62 Cb 0.34 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.34 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 -4.41 0.20 -2.53 1.42 8.00 -1.26 -4.87 116.55 113.11 1dt7 n ASP 63 Ca 0.10 0.53 -0.21 0.00 0.71 0.00 0.00 54.79 55.91 1dt7 n ASP 63 Cb 0.02 -0.58 0.00 0.00 -0.02 0.00 0.00 41.12 40.54 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 0.81 -0.50 0.85 0.44 0.00 0.11 -4.85 105.19 102.05 1dt7 n GLY 64 Ca 0.05 0.03 0.08 0.00 0.00 0.00 0.00 46.02 46.18 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 -2.12 3.13 0.00 1.61 5.75 -1.26 -4.92 116.55 118.74 1dt7 n ASP 65 Ca -0.22 -1.94 0.00 0.00 -0.01 0.00 0.00 54.79 52.62 1dt7 n ASP 65 Cb 0.67 -0.27 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 0.92 0.51 2.76 6.12 0.00 -1.26 -4.97 105.19 109.27 1dt7 n GLY 66 Ca 0.15 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.38 0.16 -0.17 1.61 2.02 -1.26 -2.57 118.70 118.11 1dt7 s GLU 67 Ca 0.00 0.19 -0.15 0.00 0.02 0.00 0.00 54.97 55.03 1dt7 s GLU 67 Cb 0.00 -0.50 -0.04 0.00 0.10 0.00 0.00 34.13 33.69 1dt7 s GLU 67 CO 0.00 -0.22 0.36 0.00 0.02 0.00 0.00 175.26 175.42 1dt7 s ASP 69 N 0.70 4.83 0.35 0.00 1.01 -1.26 -2.13 116.67 120.18 1dt7 s ASP 69 Ca 0.19 1.74 0.14 0.00 0.71 0.00 0.00 52.55 55.33 1dt7 s ASP 69 Cb -0.14 -2.51 1.02 0.00 1.01 0.00 0.00 42.92 42.30 1dt7 s ASP 69 CO 0.06 -1.81 1.72 0.15 0.21 0.00 0.00 175.17 175.50 1dt7 h PHE 70 N -0.97 0.87 -0.49 4.23 3.57 -1.94 0.67 116.94 122.87 1dt7 h PHE 70 Ca -0.44 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 60.99 1dt7 h PHE 70 Cb 1.22 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 39.70 1dt7 h PHE 70 CO 0.59 0.00 -0.12 -0.56 -2.23 0.00 0.00 178.31 176.00 1dt7 h GLN 71 N 0.45 0.91 -0.42 1.11 3.07 -1.95 -1.75 115.11 116.53 1dt7 h GLN 71 Ca 0.66 -0.32 -0.08 0.00 0.09 0.00 0.00 58.65 58.99 1dt7 h GLN 71 Cb 1.47 -0.06 -0.01 0.00 0.08 0.00 0.00 27.48 28.95 1dt7 h GLN 71 CO -0.44 0.97 -0.05 0.93 0.09 0.00 0.00 178.83 180.33 1dt7 h GLU 72 N 0.81 0.77 -0.42 0.06 5.08 -0.03 -2.77 114.58 118.07 1dt7 h GLU 72 Ca 0.13 -0.27 -0.06 0.00 -1.00 0.00 0.00 59.36 58.16 1dt7 h GLU 72 Cb 0.65 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 1dt7 h GLU 72 CO 0.04 0.87 0.00 0.35 -1.00 0.00 0.00 179.01 179.27 1dt7 h PHE 73 N 0.59 0.71 -0.82 4.33 3.57 -1.05 -2.64 116.94 121.62 1dt7 h PHE 73 Ca 0.11 -0.09 0.01 0.00 3.53 0.00 0.00 57.97 61.54 1dt7 h PHE 73 Cb 0.55 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 39.05 1dt7 h PHE 73 CO 0.04 0.67 0.54 0.52 -2.23 0.00 0.00 178.31 177.86 1dt7 h MET 74 N 0.64 1.08 -0.23 1.11 2.86 -1.05 -2.20 114.93 117.14 1dt7 h MET 74 Ca 0.13 -0.06 -0.09 0.00 -2.06 0.00 0.00 59.70 57.61 1dt7 h MET 74 Cb 0.40 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 31.80 1dt7 h MET 74 CO 0.01 0.71 -0.25 0.00 1.06 0.00 0.00 176.91 178.45 1dt7 h ALA 75 N 1.49 1.15 -0.86 6.32 0.00 -1.26 -2.76 119.26 123.34 1dt7 h ALA 75 Ca 0.30 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 54.89 1dt7 h ALA 75 Cb -0.12 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.51 1dt7 h ALA 75 CO -0.07 0.54 0.57 0.35 0.00 0.00 0.00 179.25 180.64 1dt7 h PHE 76 N 0.39 1.08 -0.99 0.00 3.57 -1.38 -2.10 116.94 117.51 1dt7 h PHE 76 Ca 0.06 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.59 1dt7 h PHE 76 Cb 0.64 -0.37 -0.05 0.00 2.79 0.00 0.00 35.95 38.97 1dt7 h PHE 76 CO 0.02 0.68 0.65 0.28 -2.23 0.00 0.00 178.31 177.72 1dt7 h VAL 77 N 1.17 1.25 -0.92 1.41 2.07 -1.41 -1.99 116.25 117.83 1dt7 h VAL 77 Ca 0.32 -0.46 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 1dt7 h VAL 77 Cb -0.14 -0.20 -0.04 0.00 -1.52 0.00 0.00 31.29 29.39 1dt7 h VAL 77 CO -0.07 0.25 0.52 0.77 0.02 0.00 0.00 177.57 179.06 1dt7 h SER 78 N 1.34 1.14 -0.30 0.57 4.64 -1.37 -2.03 113.55 117.54 1dt7 h SER 78 Ca 0.36 -0.09 -0.09 0.00 -0.47 0.00 0.00 61.79 61.50 1dt7 h SER 78 Cb -0.15 -0.29 -0.01 0.00 -0.31 0.00 0.00 62.40 61.64 1dt7 h SER 78 CO -0.08 0.90 -0.18 0.24 -0.87 0.00 0.00 176.83 176.84 1dt7 h MET 79 N 1.29 0.65 -0.22 4.77 2.07 -1.27 -3.04 114.93 119.17 1dt7 h MET 79 Ca 0.33 -0.30 -0.11 0.00 -2.07 0.00 0.00 59.70 57.55 1dt7 h MET 79 Cb -0.00 -0.01 -0.01 0.00 -1.87 0.00 0.00 31.60 29.71 1dt7 h MET 79 CO -0.06 0.89 -0.34 0.28 1.07 0.00 0.00 176.91 178.75 1dt7 h VAL 80 N 0.40 1.29 -0.92 -2.22 2.07 -1.23 -2.83 116.25 112.81 1dt7 h VAL 80 Ca 0.06 -1.44 -0.01 0.00 0.82 0.00 0.00 66.70 66.13 1dt7 h VAL 80 Cb 0.71 1.49 -0.04 0.00 -1.52 0.00 0.00 31.29 31.93 1dt7 h VAL 80 CO 0.05 0.45 0.52 0.74 0.02 0.00 0.00 177.57 179.36 1dt7 h THR 81 N 0.40 1.26 -1.00 2.57 2.02 -1.36 -1.61 112.91 115.19 1dt7 h THR 81 Ca 0.05 -0.62 0.13 0.00 0.77 0.00 0.00 66.41 66.74 1dt7 h THR 81 Cb 0.79 -0.01 -0.09 0.00 -1.74 0.00 0.00 68.15 67.11 1dt7 h THR 81 CO 0.06 0.29 0.63 0.74 0.37 0.00 0.00 175.52 177.61 1dt7 h THR 82 N 1.28 0.89 -0.92 3.16 2.02 -1.38 0.27 112.91 118.24 1dt7 h THR 82 Ca 0.33 -0.33 0.01 0.00 0.77 0.00 0.00 66.41 67.19 1dt7 h THR 82 Cb -0.00 -0.15 -0.05 0.00 -1.74 0.00 0.00 68.15 66.21 1dt7 h THR 82 CO -0.06 0.18 0.61 0.00 0.37 0.00 0.00 175.52 176.62 1dt7 h ALA 83 N 1.55 1.34 -0.79 6.16 0.00 -1.30 -1.82 119.26 124.40 1dt7 h ALA 83 Ca 0.51 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.36 1dt7 h ALA 83 Cb 0.55 -0.37 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 1dt7 h ALA 83 CO -0.28 0.61 0.52 0.00 0.00 0.00 0.00 179.25 180.11 1dt7 h HIS 85 N 1.07 1.16 -0.96 0.00 6.17 -0.87 2.39 115.15 124.11 1dt7 h HIS 85 Ca 0.29 0.03 0.01 0.00 0.71 0.00 0.00 60.37 61.41 1dt7 h HIS 85 Cb -0.12 -0.38 -0.05 0.00 2.52 0.00 0.00 27.41 29.37 1dt7 h HIS 85 CO 0.00 0.66 0.64 1.49 0.71 0.00 0.00 177.93 181.42 1dt7 h GLU 86 N 1.18 1.26 0.14 5.26 4.81 -1.28 -3.01 114.58 122.95 1dt7 h GLU 86 Ca 0.39 -0.08 -0.35 0.00 -0.13 0.00 0.00 59.36 59.18 1dt7 h GLU 86 Cb 0.04 -0.29 -0.01 0.00 0.63 0.00 0.00 28.75 29.13 1dt7 h GLU 86 CO -0.12 0.84 -1.87 0.74 -0.73 0.00 0.00 179.01 177.86 1dt7 h PHE 87 N 1.30 0.56 -1.88 0.92 0.04 -1.00 -3.38 116.94 113.49 1dt7 h PHE 87 Ca 0.35 -0.41 -0.77 0.00 2.80 0.00 0.00 57.97 59.94 1dt7 h PHE 87 Cb -0.15 -0.02 -0.20 0.00 2.20 0.00 0.00 35.95 37.78 1dt7 h PHE 87 CO -0.00 1.70 1.63 1.19 -0.60 0.00 0.00 178.31 182.23 1dt7 n PHE 88 N -3.51 2.65 -2.76 -0.55 3.01 0.79 -4.94 117.46 112.15 1dt7 n PHE 88 Ca -0.28 -2.70 -0.42 0.00 1.01 0.00 0.00 57.45 55.05 1dt7 n PHE 88 Cb 1.06 -1.67 -0.04 0.00 -0.01 0.00 0.00 39.48 38.82 1dt7 n PHE 88 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 1dt7 s GLU 89 N -1.06 3.16 0.19 -1.08 2.02 -1.17 -4.62 118.70 116.13 1dt7 s GLU 89 Ca 0.38 -0.69 -0.09 0.00 0.02 0.00 0.00 54.97 54.59 1dt7 s GLU 89 Cb 0.10 -4.26 0.08 0.00 0.10 0.00 0.00 34.13 30.15 1dt7 s GLU 89 CO 0.02 -1.92 1.66 0.45 0.02 0.00 0.00 175.26 175.49 1dt7 h HIS 90 N 9.69 1.19 0.00 1.61 3.86 -1.92 -3.53 115.15 126.05 1dt7 h HIS 90 Ca -0.26 -0.19 0.00 0.00 -1.16 0.00 0.00 60.37 58.76 1dt7 h HIS 90 Cb 1.06 -0.32 0.00 0.00 1.06 0.00 0.00 27.41 29.21 1dt7 h HIS 90 CO 1.03 1.02 0.00 0.39 0.86 0.00 0.00 177.93 181.23