#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 -3.11 0.00 7.83 3.41 -1.26 -4.72 113.62 115.78 1dt7 n SER 1 Ca 0.00 0.27 0.11 0.00 -0.26 0.00 0.00 58.87 58.98 1dt7 n SER 1 Cb 0.00 -2.90 0.49 0.00 -0.26 0.00 0.00 64.21 61.54 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 -1.96 0.09 0.19 4.33 1.02 -1.26 -3.42 120.64 119.64 1dt7 n GLU 2 Ca -0.12 0.11 0.17 0.00 -0.02 0.00 0.00 57.16 57.31 1dt7 n GLU 2 Cb 0.42 -1.50 0.70 0.00 -0.02 0.00 0.00 31.44 31.04 1dt7 n GLU 2 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1dt7 h LEU 3 N 0.00 0.00 -0.44 -4.62 6.46 -1.99 0.25 115.31 114.96 1dt7 h LEU 3 Ca 0.00 0.00 -0.15 0.00 -0.12 0.00 0.00 57.88 57.61 1dt7 h LEU 3 Cb 0.33 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.25 1dt7 h LEU 3 CO 0.00 0.00 -0.29 -0.08 -0.62 0.00 0.00 178.44 177.45 1dt7 h GLU 4 N 0.00 0.98 -0.08 1.25 4.22 -1.95 -1.56 114.58 117.43 1dt7 h GLU 4 Ca 0.12 -0.46 -0.12 0.00 0.08 0.00 0.00 59.36 58.98 1dt7 h GLU 4 Cb 1.10 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 1dt7 h GLU 4 CO -0.00 1.13 -0.49 0.87 -2.18 0.00 0.00 179.01 178.34 1dt7 h LYS 5 N 0.82 0.21 -0.45 1.92 1.57 -0.81 -2.81 116.57 117.03 1dt7 h LYS 5 Ca 0.09 -0.12 -0.14 0.00 -1.87 0.00 0.00 60.65 58.61 1dt7 h LYS 5 Cb 0.88 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.19 1dt7 h LYS 5 CO 0.08 0.66 -0.28 0.00 -0.57 0.00 0.00 179.45 179.34 1dt7 h ALA 6 N 1.32 0.64 -0.58 3.86 0.00 -1.10 -1.92 119.26 121.48 1dt7 h ALA 6 Ca 0.01 -0.42 -0.11 0.00 0.00 0.00 0.00 54.91 54.40 1dt7 h ALA 6 Cb 0.93 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1dt7 h ALA 6 CO 0.07 0.68 -0.05 0.52 0.00 0.00 0.00 179.25 180.47 1dt7 h MET 7 N 0.83 1.06 -0.51 0.00 2.86 -1.20 -2.24 114.93 115.74 1dt7 h MET 7 Ca 0.09 -0.36 -0.07 0.00 -2.06 0.00 0.00 59.70 57.30 1dt7 h MET 7 Cb 0.86 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.42 1dt7 h MET 7 CO 0.08 1.06 0.02 0.28 1.06 0.00 0.00 176.91 179.41 1dt7 h VAL 8 N 0.96 1.24 -0.14 -2.22 2.07 -1.39 -2.80 116.25 113.98 1dt7 h VAL 8 Ca 0.16 -1.00 -0.12 0.00 0.82 0.00 0.00 66.70 66.55 1dt7 h VAL 8 Cb 0.62 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 1dt7 h VAL 8 CO 0.04 0.36 -0.45 0.00 0.02 0.00 0.00 177.57 177.54 1dt7 h ALA 9 N 1.23 0.98 -0.94 1.67 0.00 -1.07 -2.01 119.26 119.13 1dt7 h ALA 9 Ca 0.15 -0.45 0.03 0.00 0.00 0.00 0.00 54.91 54.65 1dt7 h ALA 9 Cb 0.44 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 1dt7 h ALA 9 CO 0.02 0.63 0.61 1.25 0.00 0.00 0.00 179.25 181.76 1dt7 h LEU 10 N 0.27 1.02 -0.23 0.00 7.12 -1.14 -2.08 115.31 120.27 1dt7 h LEU 10 Ca 0.02 -0.01 -0.21 0.00 0.13 0.00 0.00 57.88 57.81 1dt7 h LEU 10 Cb 0.90 -0.23 -0.00 0.00 -0.53 0.00 0.00 40.66 40.80 1dt7 h LEU 10 CO 0.07 0.70 -0.90 0.40 -0.13 0.00 0.00 178.44 178.58 1dt7 h ILE 11 N 1.18 1.43 -0.64 4.05 2.04 -1.45 -3.14 117.51 120.98 1dt7 h ILE 11 Ca 0.37 -2.47 0.00 0.00 1.00 0.00 0.00 64.86 63.77 1dt7 h ILE 11 Cb -0.00 2.41 -0.03 0.00 -0.74 0.00 0.00 36.82 38.45 1dt7 h ILE 11 CO -0.12 0.73 0.42 -0.78 0.00 0.00 0.00 178.15 178.40 1dt7 h ASP 12 N 0.20 0.74 0.99 1.72 1.82 -0.68 -2.19 116.42 119.02 1dt7 h ASP 12 Ca -0.06 -0.03 -0.07 0.00 -0.39 0.00 0.00 57.03 56.48 1dt7 h ASP 12 Cb 1.53 -0.19 -0.01 0.00 0.68 0.00 0.00 39.33 41.35 1dt7 h ASP 12 CO 0.15 0.55 -0.33 0.58 -1.61 0.00 0.00 179.24 178.57 1dt7 h VAL 13 N 0.87 0.75 -0.92 2.25 2.07 -1.55 -2.84 116.25 116.88 1dt7 h VAL 13 Ca 0.23 -1.48 0.01 0.00 0.82 0.00 0.00 66.70 66.29 1dt7 h VAL 13 Cb -0.09 1.95 -0.05 0.00 -1.52 0.00 0.00 31.29 31.58 1dt7 h VAL 13 CO -0.05 0.33 0.61 0.15 0.02 0.00 0.00 177.57 178.63 1dt7 h PHE 14 N 0.00 1.16 0.00 1.57 3.57 -1.34 -1.72 116.94 120.17 1dt7 h PHE 14 Ca -0.00 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.47 1dt7 h PHE 14 Cb 0.92 -0.39 -0.01 0.00 2.79 0.00 0.00 35.95 39.26 1dt7 h PHE 14 CO 0.00 0.72 -0.30 1.25 -2.23 0.00 0.00 178.31 177.75 1dt7 h HIS 15 N 1.24 0.00 -0.49 0.41 2.76 -1.47 -2.34 115.15 115.26 1dt7 h HIS 15 Ca 0.34 0.00 0.09 0.00 -2.20 0.00 0.00 60.37 58.60 1dt7 h HIS 15 Cb -0.13 0.00 -0.07 0.00 1.55 0.00 0.00 27.41 28.76 1dt7 h HIS 15 CO -0.01 0.27 0.09 0.37 -1.30 0.00 0.00 177.93 177.35 1dt7 h GLN 16 N 0.00 0.21 0.00 5.26 5.75 -1.07 -3.16 115.11 122.11 1dt7 h GLN 16 Ca -0.01 -0.01 -0.10 0.00 -0.15 0.00 0.00 58.65 58.39 1dt7 h GLN 16 Cb 1.21 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 29.69 1dt7 h GLN 16 CO 0.03 0.14 -1.53 2.48 -2.65 0.00 0.00 178.83 177.30 1dt7 n TYR 17 N -5.13 0.00 -0.38 3.99 4.11 -1.22 -4.45 117.16 114.08 1dt7 n TYR 17 Ca 0.05 0.00 -0.02 0.00 -0.00 0.00 0.00 57.90 57.93 1dt7 n TYR 17 Cb 0.24 -0.35 0.11 0.00 -0.00 0.00 0.00 39.34 39.35 1dt7 n TYR 17 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.86 177.89 1dt7 h SER 18 N 0.00 1.15 0.46 9.48 0.87 -1.50 -0.70 113.55 123.32 1dt7 h SER 18 Ca -0.14 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.39 1dt7 h SER 18 Cb 1.10 -0.29 0.00 0.00 -0.44 0.00 0.00 62.40 62.77 1dt7 h SER 18 CO 0.01 0.84 -0.03 0.61 -0.53 0.00 0.00 176.83 177.72 1dt7 n GLY 19 N -1.38 -1.17 0.08 5.77 0.00 -1.19 -3.77 105.19 103.53 1dt7 n GLY 19 Ca 0.12 -0.18 -0.11 0.00 0.00 0.00 0.00 46.02 45.85 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 0.15 0.15 0.00 1.61 2.43 -1.34 -3.39 114.38 114.00 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 0.28 -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 -1.91 -1.51 0.00 0.00 179.97 176.65 1dt7 n GLU 21 N -5.01 0.00 0.00 0.20 0.00 -1.25 -5.04 120.64 109.54 1dt7 n GLU 21 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.12 1dt7 n GLU 21 Cb 0.03 -0.26 0.00 0.00 0.00 0.00 0.00 31.44 31.21 1dt7 n GLU 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1dt7 n GLY 22 N 2.49 0.00 3.12 8.31 0.00 -1.26 -5.00 105.19 112.85 1dt7 n GLY 22 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.27 3.11 0.03 1.61 8.00 -1.25 -4.69 116.55 123.09 1dt7 n ASP 23 Ca 0.00 -2.74 -0.12 0.00 0.71 0.00 0.00 54.79 52.64 1dt7 n ASP 23 Cb 0.00 -1.38 -0.07 0.00 -0.02 0.00 0.00 41.12 39.65 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 7.69 0.02 -0.01 -1.24 3.64 -1.93 -2.90 116.57 121.84 1dt7 h LYS 24 Ca 0.43 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.81 1dt7 h LYS 24 Cb 0.72 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.53 1dt7 h LYS 24 CO 1.80 0.01 -0.22 1.58 -2.27 0.00 0.00 179.45 180.35 1dt7 n HIS 25 N -5.08 0.00 -4.16 1.91 -0.00 -1.26 -4.70 115.22 101.93 1dt7 n HIS 25 Ca -0.07 0.00 -0.12 0.00 0.46 0.00 0.00 57.72 58.00 1dt7 n HIS 25 Cb 0.03 -0.11 -0.10 0.00 -0.12 0.00 0.00 29.99 29.68 1dt7 n HIS 25 CO 0.00 0.00 0.00 0.15 0.46 0.00 0.00 176.34 176.95 1dt7 s LYS 26 N -2.44 0.81 -0.07 1.57 1.02 -1.09 -3.90 119.74 115.63 1dt7 s LYS 26 Ca 0.26 -1.24 0.03 0.00 0.02 0.00 0.00 55.97 55.04 1dt7 s LYS 26 Cb 0.19 -0.27 0.00 0.00 -0.52 0.00 0.00 37.83 37.23 1dt7 s LYS 26 CO 0.50 0.01 -0.16 -0.51 -0.92 0.00 0.00 175.35 174.26 1dt7 s LEU 27 N -2.78 1.83 0.25 3.17 1.43 -0.93 -4.51 118.68 117.13 1dt7 s LEU 27 Ca 0.08 -0.37 0.06 0.00 -1.03 0.00 0.00 54.13 52.88 1dt7 s LEU 27 Cb 0.02 -1.00 -0.03 0.00 0.03 0.00 0.00 46.19 45.21 1dt7 s LEU 27 CO -0.03 0.10 0.25 -0.54 0.23 0.00 0.00 176.35 176.36 1dt7 s LYS 28 N 0.39 3.09 0.61 1.70 1.02 -1.26 -1.04 119.74 124.24 1dt7 s LYS 28 Ca -0.12 -0.96 0.27 0.00 0.02 0.00 0.00 55.97 55.18 1dt7 s LYS 28 Cb -0.15 -2.67 1.30 0.00 -0.52 0.00 0.00 37.83 35.80 1dt7 s LYS 28 CO 0.04 0.41 1.72 1.57 -0.92 0.00 0.00 175.35 178.17 1dt7 h LYS 29 N 1.39 0.00 -0.05 1.68 2.10 -1.88 0.78 116.57 120.60 1dt7 h LYS 29 Ca -0.50 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.04 1dt7 h LYS 29 Cb 1.24 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.57 1dt7 h LYS 29 CO 0.61 0.00 -0.41 1.03 -2.00 0.00 0.00 179.45 178.68 1dt7 h SER 30 N 0.00 0.44 0.12 7.07 0.87 -1.92 -2.42 113.55 117.71 1dt7 h SER 30 Ca 0.24 -0.70 -0.13 0.00 -1.23 0.00 0.00 61.79 59.97 1dt7 h SER 30 Cb 1.56 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 63.38 1dt7 h SER 30 CO -0.00 1.07 -0.46 -0.33 -0.53 0.00 0.00 176.83 176.57 1dt7 h GLU 31 N -0.16 0.41 -0.71 2.24 4.39 0.04 -2.81 114.58 117.98 1dt7 h GLU 31 Ca -0.04 -0.22 0.01 0.00 0.34 0.00 0.00 59.36 59.45 1dt7 h GLU 31 Cb 1.09 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.72 1dt7 h GLU 31 CO 0.08 0.79 0.47 1.25 -1.16 0.00 0.00 179.01 180.45 1dt7 h LEU 32 N 0.33 0.81 -1.16 1.33 5.85 -0.54 -1.82 115.31 120.10 1dt7 h LEU 32 Ca 0.02 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 1dt7 h LEU 32 Cb 0.94 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.75 1dt7 h LEU 32 CO 0.08 0.59 0.21 0.50 -0.34 0.00 0.00 178.44 179.48 1dt7 h LYS 33 N 0.96 0.80 -1.01 1.25 1.63 -1.19 -2.37 116.57 116.64 1dt7 h LYS 33 Ca 0.26 -0.12 0.01 0.00 -0.85 0.00 0.00 60.65 59.95 1dt7 h LYS 33 Cb -0.10 -0.14 -0.05 0.00 -0.60 0.00 0.00 32.23 31.34 1dt7 h LYS 33 CO -0.06 0.66 0.66 0.93 -3.45 0.00 0.00 179.45 178.20 1dt7 h GLU 34 N 0.79 1.33 -0.21 1.90 5.08 -1.09 0.80 114.58 123.19 1dt7 h GLU 34 Ca 0.19 -0.08 -0.07 0.00 -1.00 0.00 0.00 59.36 58.40 1dt7 h GLU 34 Cb 0.17 -0.30 -0.00 0.00 0.50 0.00 0.00 28.75 29.11 1dt7 h GLU 34 CO -0.02 0.88 -0.14 1.25 -1.00 0.00 0.00 179.01 179.99 1dt7 h LEU 35 N 1.37 0.48 -0.32 1.33 6.46 -1.27 -2.06 115.31 121.29 1dt7 h LEU 35 Ca 0.37 -0.44 -0.14 0.00 -0.12 0.00 0.00 57.88 57.55 1dt7 h LEU 35 Cb -0.15 -0.13 -0.00 0.00 -0.73 0.00 0.00 40.66 39.64 1dt7 h LEU 35 CO -0.08 0.81 -0.35 0.40 -0.62 0.00 0.00 178.44 178.61 1dt7 h ILE 36 N 0.14 1.29 -0.30 4.05 2.04 -0.92 0.80 117.51 124.62 1dt7 h ILE 36 Ca 0.04 -1.52 -0.18 0.00 1.00 0.00 0.00 64.86 64.20 1dt7 h ILE 36 Cb 0.65 1.51 -0.00 0.00 -0.74 0.00 0.00 36.82 38.25 1dt7 h ILE 36 CO 0.04 0.50 -0.53 -1.13 0.00 0.00 0.00 178.15 177.02 1dt7 h ASN 37 N 0.58 0.97 0.00 1.72 -0.00 0.56 -3.22 115.58 116.19 1dt7 h ASN 37 Ca 0.05 -0.51 -0.36 0.00 -0.00 0.00 0.00 56.30 55.48 1dt7 h ASN 37 Cb 0.93 -0.28 -0.07 0.00 -0.00 0.00 0.00 38.32 38.90 1dt7 h ASN 37 CO 0.08 1.31 -2.35 0.59 -0.00 0.00 0.00 177.43 177.07 1dt7 n ASN 38 N -4.01 0.78 0.10 1.15 5.03 -0.78 -4.47 115.26 113.06 1dt7 n ASN 38 Ca -0.04 -0.04 0.13 0.00 0.87 0.00 0.00 54.58 55.50 1dt7 n ASN 38 Cb 0.62 0.58 0.35 0.00 -1.02 0.00 0.00 39.78 40.31 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 -2.86 0.28 -2.61 3.52 4.07 0.28 -3.90 120.64 119.41 1dt7 n GLU 39 Ca -0.35 0.20 -0.30 0.00 -0.06 0.00 0.00 57.16 56.65 1dt7 n GLU 39 Cb 1.08 -1.79 -0.01 0.00 -0.06 0.00 0.00 31.44 30.66 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 -2.26 5.20 -0.36 4.31 4.77 -1.21 -4.82 117.00 122.64 1dt7 n LEU 40 Ca 0.05 -5.38 -0.02 0.00 -0.03 0.00 0.00 56.01 50.63 1dt7 n LEU 40 Cb 0.44 -0.64 0.10 0.00 -2.33 0.00 0.00 43.42 40.99 1dt7 n LEU 40 CO 0.32 2.22 1.28 0.28 -1.33 0.00 0.00 177.39 180.15 1dt7 h SER 41 N 2.94 1.11 0.00 -1.43 0.02 -1.80 -3.30 113.55 111.10 1dt7 h SER 41 Ca 0.29 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.21 1dt7 h SER 41 Cb 0.60 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.86 1dt7 h SER 41 CO 0.94 0.81 0.00 1.57 -1.14 0.00 0.00 176.83 179.01 1dt7 n HIS 42 N -4.41 0.00 -0.13 3.45 -0.00 -1.26 -4.80 115.22 108.08 1dt7 n HIS 42 Ca 0.11 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 57.75 1dt7 n HIS 42 Cb 0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 29.99 30.00 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 0.53 -3.96 1.57 3.57 -1.88 -3.43 116.94 113.33 1dt7 h PHE 43 Ca 0.00 -0.01 -0.32 0.00 3.53 0.00 0.00 57.97 61.17 1dt7 h PHE 43 Cb 0.00 -0.17 -0.22 0.00 2.79 0.00 0.00 35.95 38.35 1dt7 h PHE 43 CO 0.00 0.41 -0.75 -1.17 -2.23 0.00 0.00 178.31 174.57 1dt7 s LEU 44 N -9.99 2.24 -0.19 0.59 2.96 -1.26 -5.07 118.68 107.95 1dt7 s LEU 44 Ca -0.13 -0.53 -0.32 0.00 -0.22 0.00 0.00 54.13 52.93 1dt7 s LEU 44 Cb 0.10 -0.29 -0.09 0.00 0.50 0.00 0.00 46.19 46.41 1dt7 s LEU 44 CO 0.73 -0.14 2.09 1.21 -1.32 0.00 0.00 176.35 178.92 1dt7 n GLU 45 N 1.54 1.90 -0.93 1.98 2.13 -1.26 -4.61 120.64 121.38 1dt7 n GLU 45 Ca -0.21 0.61 -0.28 0.00 0.66 0.00 0.00 57.16 57.93 1dt7 n GLU 45 Cb 0.55 -2.84 0.21 0.00 0.27 0.00 0.00 31.44 29.63 1dt7 n GLU 45 CO 0.00 0.00 0.00 -1.83 -0.41 0.00 0.00 177.13 174.89 1dt7 s GLU 46 N 5.45 -0.31 -0.09 5.31 1.03 -1.24 -5.01 118.70 123.83 1dt7 s GLU 46 Ca 0.99 0.56 -0.09 0.00 0.03 0.00 0.00 54.97 56.46 1dt7 s GLU 46 Cb -0.59 -1.65 -0.04 0.00 -0.80 0.00 0.00 34.13 31.05 1dt7 s GLU 46 CO 0.45 -3.24 0.21 0.42 -1.33 0.00 0.00 175.26 171.76 1dt7 s ILE 47 N -2.78 5.39 -0.05 1.83 1.01 -1.26 -4.99 121.20 120.35 1dt7 s ILE 47 Ca 0.67 0.37 0.10 0.00 0.00 0.00 0.00 60.65 61.79 1dt7 s ILE 47 Cb -0.20 -3.48 -0.14 0.00 0.01 0.00 0.00 42.46 38.64 1dt7 s ILE 47 CO 0.60 0.61 0.14 0.29 0.00 0.00 0.00 174.94 176.58 1dt7 n LYS 48 N 1.94 1.26 -4.98 2.79 4.01 -1.26 -4.75 118.16 117.17 1dt7 n LYS 48 Ca -0.18 -0.06 -0.32 0.00 -0.51 0.00 0.00 58.31 57.24 1dt7 n LYS 48 Cb 0.54 -1.25 -0.14 0.00 -0.51 0.00 0.00 35.03 33.68 1dt7 n LYS 48 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 1dt7 s GLU 49 N -2.51 2.43 0.44 1.97 8.01 -1.26 -5.00 118.70 122.78 1dt7 s GLU 49 Ca -0.04 -0.74 0.30 0.00 0.01 0.00 0.00 54.97 54.49 1dt7 s GLU 49 Cb 0.05 -2.31 1.25 0.00 -4.31 0.00 0.00 34.13 28.81 1dt7 s GLU 49 CO 0.42 0.61 1.89 -0.56 0.01 0.00 0.00 175.26 177.63 1dt7 h GLN 50 N 5.38 0.00 -0.86 1.61 -0.00 -2.01 -2.94 115.11 116.28 1dt7 h GLN 50 Ca -0.46 0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 58.16 1dt7 h GLN 50 Cb 1.15 0.00 -0.04 0.00 -0.00 0.00 0.00 27.48 28.59 1dt7 h GLN 50 CO 0.50 0.00 0.43 1.05 -0.00 0.00 0.00 178.83 180.80 1dt7 h GLU 51 N 0.00 1.24 -1.00 0.06 4.11 -2.00 -1.71 114.58 115.28 1dt7 h GLU 51 Ca 0.00 -0.18 0.01 0.00 0.07 0.00 0.00 59.36 59.26 1dt7 h GLU 51 Cb 0.43 -0.23 -0.05 0.00 0.50 0.00 0.00 28.75 29.41 1dt7 h GLU 51 CO 0.00 0.94 0.66 0.28 0.07 0.00 0.00 179.01 180.96 1dt7 h VAL 52 N 1.23 1.26 -0.88 -1.06 2.07 -1.95 -1.23 116.25 115.69 1dt7 h VAL 52 Ca 0.30 -0.48 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 1dt7 h VAL 52 Cb 0.10 -0.21 -0.04 0.00 -1.52 0.00 0.00 31.29 29.62 1dt7 h VAL 52 CO -0.04 0.25 0.45 0.58 0.02 0.00 0.00 177.57 178.84 1dt7 h VAL 53 N 1.36 1.26 -0.82 2.57 2.07 -1.46 -1.72 116.25 119.52 1dt7 h VAL 53 Ca 0.37 -0.69 -0.02 0.00 0.82 0.00 0.00 66.70 67.18 1dt7 h VAL 53 Cb -0.14 0.10 -0.04 0.00 -1.52 0.00 0.00 31.29 29.69 1dt7 h VAL 53 CO -0.08 0.30 0.42 -0.78 0.02 0.00 0.00 177.57 177.46 1dt7 h ASP 54 N 1.24 1.04 -0.53 0.57 1.82 -0.44 0.88 116.42 121.01 1dt7 h ASP 54 Ca 0.31 -0.11 -0.12 0.00 -0.39 0.00 0.00 57.03 56.72 1dt7 h ASP 54 Cb 0.07 -0.27 -0.02 0.00 0.68 0.00 0.00 39.33 39.80 1dt7 h ASP 54 CO -0.04 0.86 -0.14 0.50 -1.61 0.00 0.00 179.24 178.81 1dt7 h LYS 55 N 1.16 1.03 0.00 0.28 3.64 -0.87 -0.90 116.57 120.91 1dt7 h LYS 55 Ca 0.29 -0.40 -0.09 0.00 -1.27 0.00 0.00 60.65 59.18 1dt7 h LYS 55 Cb 0.07 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 1dt7 h LYS 55 CO -0.04 1.09 -0.42 0.28 -2.27 0.00 0.00 179.45 178.09 1dt7 h VAL 56 N 0.91 1.26 0.00 2.00 2.07 -0.81 -1.90 116.25 119.77 1dt7 h VAL 56 Ca 0.13 -1.45 -0.09 0.00 0.82 0.00 0.00 66.70 66.12 1dt7 h VAL 56 Cb 0.71 1.79 -0.01 0.00 -1.52 0.00 0.00 31.29 32.26 1dt7 h VAL 56 CO 0.05 0.41 -0.43 0.24 0.02 0.00 0.00 177.57 177.87 1dt7 h MET 57 N 0.00 0.00 -1.00 1.57 2.86 -0.17 0.19 114.93 118.38 1dt7 h MET 57 Ca -0.00 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.64 1dt7 h MET 57 Cb 0.75 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.37 1dt7 h MET 57 CO 0.05 0.43 0.66 1.49 1.06 0.00 0.00 176.91 180.60 1dt7 h GLU 58 N 0.00 1.32 0.20 1.72 4.81 -0.34 3.43 114.58 125.73 1dt7 h GLU 58 Ca -0.00 -0.08 -0.31 0.00 -0.13 0.00 0.00 59.36 58.83 1dt7 h GLU 58 Cb 1.04 -0.30 0.03 0.00 0.63 0.00 0.00 28.75 30.15 1dt7 h GLU 58 CO 0.06 0.88 -1.34 1.15 -0.73 0.00 0.00 179.01 179.02 1dt7 h THR 59 N 1.36 1.30 0.00 0.32 2.02 -1.44 -3.34 112.91 113.14 1dt7 h THR 59 Ca 0.37 -2.60 -0.00 0.00 0.77 0.00 0.00 66.41 64.94 1dt7 h THR 59 Cb -0.15 2.95 -0.00 0.00 -1.74 0.00 0.00 68.15 69.21 1dt7 h THR 59 CO -0.08 0.78 -0.76 -0.07 0.37 0.00 0.00 175.52 175.76 1dt7 h LEU 60 N 0.14 0.00 -5.23 2.58 -0.00 -0.20 -3.37 115.31 109.22 1dt7 h LEU 60 Ca -0.23 0.00 -0.68 0.00 -0.00 0.00 0.00 57.88 56.97 1dt7 h LEU 60 Cb 2.04 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 42.71 1dt7 h LEU 60 CO 0.25 0.01 3.68 -0.67 -0.00 0.00 0.00 178.44 181.71 1dt7 n ASP 61 N -2.79 7.74 -0.22 -0.43 -0.08 1.14 -4.56 116.55 117.36 1dt7 n ASP 61 Ca 0.01 -2.64 0.01 0.00 -1.51 0.00 0.00 54.79 50.65 1dt7 n ASP 61 Cb 0.55 -1.58 0.25 0.00 2.34 0.00 0.00 41.12 42.68 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 5.20 0.99 0.00 -0.67 5.08 -1.80 0.19 114.58 123.57 1dt7 h GLU 62 Ca 0.81 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 59.11 1dt7 h GLU 62 Cb 0.36 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1dt7 h GLU 62 CO 1.80 0.65 0.00 -0.25 -1.00 0.00 0.00 179.01 180.22 1dt7 n ASP 63 N -4.42 0.26 -2.11 1.42 8.00 -1.26 -4.88 116.55 113.56 1dt7 n ASP 63 Ca 0.08 0.54 -0.18 0.00 0.71 0.00 0.00 54.79 55.94 1dt7 n ASP 63 Cb 0.03 -0.60 0.00 0.00 -0.02 0.00 0.00 41.12 40.53 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 0.90 -0.35 0.83 0.44 0.00 0.67 -4.87 105.19 102.81 1dt7 n GLY 64 Ca 0.05 -0.12 0.08 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.44 3.07 0.00 1.61 5.68 -1.26 -4.92 116.55 119.28 1dt7 n ASP 65 Ca -0.18 -1.92 0.00 0.00 -0.50 0.00 0.00 54.79 52.18 1dt7 n ASP 65 Cb 0.65 -0.25 0.00 0.00 -1.14 0.00 0.00 41.12 40.37 1dt7 n ASP 65 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1dt7 n GLY 66 N 0.90 0.87 3.02 6.12 0.00 -1.26 -4.98 105.19 109.86 1dt7 n GLY 66 Ca 0.15 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.05 0.39 -0.04 1.61 -1.05 -1.26 -2.64 118.70 115.66 1dt7 s GLU 67 Ca 0.00 -0.65 0.06 0.00 -0.15 0.00 0.00 54.97 54.23 1dt7 s GLU 67 Cb 0.00 0.14 -0.02 0.00 -0.44 0.00 0.00 34.13 33.81 1dt7 s GLU 67 CO 0.00 -0.07 -0.22 0.00 0.95 0.00 0.00 175.26 175.91 1dt7 s ASP 69 N -0.52 4.40 0.30 0.00 -4.77 -1.26 -2.20 116.67 112.63 1dt7 s ASP 69 Ca 0.07 0.47 0.05 0.00 -3.30 0.00 0.00 52.55 49.84 1dt7 s ASP 69 Cb -0.11 -0.95 0.70 0.00 -1.09 0.00 0.00 42.92 41.46 1dt7 s ASP 69 CO 0.01 -1.90 1.79 0.15 0.70 0.00 0.00 175.17 175.91 1dt7 h PHE 70 N -0.91 1.09 0.16 2.11 3.57 -1.93 -0.22 116.94 120.81 1dt7 h PHE 70 Ca -0.44 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.08 1dt7 h PHE 70 Cb 1.30 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 39.71 1dt7 h PHE 70 CO 0.04 0.29 -0.08 0.37 -2.23 0.00 0.00 178.31 176.71 1dt7 h GLN 71 N 0.82 -0.20 -0.82 1.11 4.15 -1.92 -1.62 115.11 116.63 1dt7 h GLN 71 Ca 0.56 0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.97 1dt7 h GLN 71 Cb 0.80 0.05 -0.04 0.00 0.21 0.00 0.00 27.48 28.50 1dt7 h GLN 71 CO -0.36 -0.12 0.41 0.93 -1.93 0.00 0.00 178.83 177.76 1dt7 h GLU 72 N -0.23 1.17 -0.40 1.69 5.08 -1.56 -2.13 114.58 118.20 1dt7 h GLU 72 Ca -0.02 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.16 1dt7 h GLU 72 Cb 0.18 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 1dt7 h GLU 72 CO 0.04 0.90 0.21 0.35 -1.00 0.00 0.00 179.01 179.50 1dt7 h PHE 73 N 1.16 0.53 -0.68 4.33 3.57 -0.89 -2.00 116.94 122.96 1dt7 h PHE 73 Ca 0.28 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.79 1dt7 h PHE 73 Cb 0.10 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.63 1dt7 h PHE 73 CO 0.01 0.38 0.45 0.52 -2.23 0.00 0.00 178.31 177.44 1dt7 h MET 74 N 0.55 0.90 -0.16 1.11 2.86 -0.59 -2.24 114.93 117.35 1dt7 h MET 74 Ca 0.14 -0.05 -0.12 0.00 -2.06 0.00 0.00 59.70 57.61 1dt7 h MET 74 Cb 0.03 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.48 1dt7 h MET 74 CO -0.02 0.59 -0.42 0.00 1.06 0.00 0.00 176.91 178.12 1dt7 h ALA 75 N 1.57 0.97 -1.00 6.32 0.00 -1.34 -3.04 119.26 122.74 1dt7 h ALA 75 Ca 0.25 -0.44 0.01 0.00 0.00 0.00 0.00 54.91 54.73 1dt7 h ALA 75 Cb -0.11 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.53 1dt7 h ALA 75 CO -0.05 0.63 0.66 0.35 0.00 0.00 0.00 179.25 180.83 1dt7 h PHE 76 N 0.32 1.26 -0.43 0.00 3.57 -1.37 -2.00 116.94 118.28 1dt7 h PHE 76 Ca 0.03 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.49 1dt7 h PHE 76 Cb 0.88 -0.43 -0.02 0.00 2.79 0.00 0.00 35.95 39.17 1dt7 h PHE 76 CO 0.02 0.80 0.01 0.28 -2.23 0.00 0.00 178.31 177.20 1dt7 h VAL 77 N 1.36 1.23 -0.76 1.41 2.07 -1.47 -2.22 116.25 117.87 1dt7 h VAL 77 Ca 0.37 -0.91 -0.04 0.00 0.82 0.00 0.00 66.70 66.94 1dt7 h VAL 77 Cb -0.15 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 30.47 1dt7 h VAL 77 CO -0.08 0.32 0.31 -1.28 0.02 0.00 0.00 177.57 176.86 1dt7 h SER 78 N 0.66 1.03 -0.10 0.57 0.87 -1.30 -2.15 113.55 113.13 1dt7 h SER 78 Ca 0.13 -0.17 -0.14 0.00 -1.23 0.00 0.00 61.79 60.39 1dt7 h SER 78 Cb 0.39 -0.27 0.01 0.00 -0.44 0.00 0.00 62.40 62.09 1dt7 h SER 78 CO 0.01 0.92 -0.50 0.24 -0.53 0.00 0.00 176.83 176.97 1dt7 h MET 79 N 1.09 0.52 -0.74 2.24 2.07 -1.28 -3.14 114.93 115.68 1dt7 h MET 79 Ca 0.25 -0.42 -0.01 0.00 -2.07 0.00 0.00 59.70 57.45 1dt7 h MET 79 Cb 0.20 0.09 -0.04 0.00 -1.87 0.00 0.00 31.60 29.98 1dt7 h MET 79 CO -0.02 1.05 0.41 0.28 1.07 0.00 0.00 176.91 179.70 1dt7 h VAL 80 N 0.11 1.22 -1.00 -2.22 2.07 -1.34 -1.86 116.25 113.23 1dt7 h VAL 80 Ca -0.03 -0.53 0.01 0.00 0.82 0.00 0.00 66.70 66.97 1dt7 h VAL 80 Cb 1.14 0.21 -0.05 0.00 -1.52 0.00 0.00 31.29 31.07 1dt7 h VAL 80 CO 0.10 0.24 0.66 0.74 0.02 0.00 0.00 177.57 179.33 1dt7 h THR 81 N 1.03 1.25 -1.01 2.57 2.02 -1.42 -0.68 112.91 116.68 1dt7 h THR 81 Ca 0.26 -0.46 0.15 0.00 0.77 0.00 0.00 66.41 67.13 1dt7 h THR 81 Cb 0.01 -0.21 -0.09 0.00 -1.74 0.00 0.00 68.15 66.12 1dt7 h THR 81 CO -0.04 0.25 0.63 0.74 0.37 0.00 0.00 175.52 177.46 1dt7 h THR 82 N 1.35 0.84 -0.85 3.16 2.02 -1.29 0.65 112.91 118.80 1dt7 h THR 82 Ca 0.37 -0.31 0.01 0.00 0.77 0.00 0.00 66.41 67.24 1dt7 h THR 82 Cb -0.15 -0.15 -0.04 0.00 -1.74 0.00 0.00 68.15 66.06 1dt7 h THR 82 CO -0.08 0.17 0.56 0.00 0.37 0.00 0.00 175.52 176.53 1dt7 h ALA 83 N 1.58 1.39 -0.57 6.16 0.00 -1.08 -0.59 119.26 126.15 1dt7 h ALA 83 Ca 0.53 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.43 1dt7 h ALA 83 Cb 0.64 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1dt7 h ALA 83 CO -0.31 0.56 0.38 0.00 0.00 0.00 0.00 179.25 179.89 1dt7 h HIS 85 N 0.60 1.18 -0.95 0.00 6.17 -0.53 0.40 115.15 122.01 1dt7 h HIS 85 Ca 0.24 0.03 -0.00 0.00 0.71 0.00 0.00 60.37 61.34 1dt7 h HIS 85 Cb 0.20 -0.40 -0.05 0.00 2.52 0.00 0.00 27.41 29.68 1dt7 h HIS 85 CO -0.00 0.74 0.58 1.49 0.71 0.00 0.00 177.93 181.45 1dt7 h GLU 86 N 1.28 1.29 -0.37 5.26 4.81 -0.99 -2.14 114.58 123.71 1dt7 h GLU 86 Ca 0.34 -0.12 -0.13 0.00 -0.13 0.00 0.00 59.36 59.33 1dt7 h GLU 86 Cb -0.15 -0.27 -0.01 0.00 0.63 0.00 0.00 28.75 28.95 1dt7 h GLU 86 CO -0.07 0.90 -0.28 0.35 -0.73 0.00 0.00 179.01 179.17 1dt7 h PHE 87 N 1.31 1.00 -2.08 0.92 3.04 -0.71 -3.26 116.94 117.15 1dt7 h PHE 87 Ca 0.34 -0.28 -0.78 0.00 3.98 0.00 0.00 57.97 61.24 1dt7 h PHE 87 Cb -0.06 -0.22 -0.21 0.00 2.56 0.00 0.00 35.95 38.02 1dt7 h PHE 87 CO 0.01 1.06 1.46 1.19 -2.02 0.00 0.00 178.31 180.01 1dt7 n PHE 88 N -4.18 2.83 -2.24 0.41 3.72 0.13 -4.96 117.46 113.17 1dt7 n PHE 88 Ca -0.02 -2.76 -0.41 0.00 -0.05 0.00 0.00 57.45 54.20 1dt7 n PHE 88 Cb 0.48 -1.68 -0.03 0.00 -0.94 0.00 0.00 39.48 37.32 1dt7 n PHE 88 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 1dt7 s GLU 89 N -0.87 3.21 -1.23 -1.08 2.12 -1.18 -4.80 118.70 114.87 1dt7 s GLU 89 Ca 0.36 0.75 -0.17 0.00 0.36 0.00 0.00 54.97 56.28 1dt7 s GLU 89 Cb 0.07 -4.18 0.10 0.00 0.26 0.00 0.00 34.13 30.38 1dt7 s GLU 89 CO 0.04 -2.03 1.59 -1.58 -0.54 0.00 0.00 175.26 172.74 1dt7 s HIS 90 N 6.74 3.02 -2.92 5.30 5.65 -1.26 -5.15 115.29 126.67 1dt7 s HIS 90 Ca 0.62 -1.73 0.23 0.00 0.25 0.00 0.00 55.06 54.44 1dt7 s HIS 90 Cb -0.14 -4.58 0.18 0.00 -1.18 0.00 0.00 32.58 26.86 1dt7 s HIS 90 CO 0.27 -1.67 1.24 0.39 -0.65 0.00 0.00 174.74 174.32