#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 -3.12 -0.37 6.12 2.88 -1.26 -4.67 113.62 113.20 1dt7 n SER 1 Ca 0.00 0.13 0.00 0.00 -1.33 0.00 0.00 58.87 57.67 1dt7 n SER 1 Cb 0.00 -2.47 0.00 0.00 -0.75 0.00 0.00 64.21 60.99 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 -0.53 0.80 0.21 -1.46 1.02 -1.26 -3.65 120.64 115.77 1dt7 n GLU 2 Ca -0.05 0.00 0.05 0.00 -0.02 0.00 0.00 57.16 57.14 1dt7 n GLU 2 Cb 0.32 -1.30 0.46 0.00 -0.02 0.00 0.00 31.44 30.91 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 0.15 0.00 -0.39 -4.62 6.46 -2.00 -2.15 115.31 112.76 1dt7 h LEU 3 Ca 0.00 0.00 -0.18 0.00 -0.12 0.00 0.00 57.88 57.58 1dt7 h LEU 3 Cb 0.30 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.22 1dt7 h LEU 3 CO 0.00 0.26 -0.68 -0.08 -0.62 0.00 0.00 178.44 177.32 1dt7 h GLU 4 N 0.00 0.54 -0.09 1.25 4.81 -1.97 -2.38 114.58 116.74 1dt7 h GLU 4 Ca -0.00 -0.40 -0.16 0.00 -0.13 0.00 0.00 59.36 58.66 1dt7 h GLU 4 Cb 0.47 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 1dt7 h GLU 4 CO 0.03 1.02 -0.65 0.87 -0.73 0.00 0.00 179.01 179.56 1dt7 h LYS 5 N 0.38 0.34 -0.25 1.92 1.79 -1.76 -2.98 116.57 116.01 1dt7 h LYS 5 Ca -0.02 -0.25 -0.11 0.00 -2.18 0.00 0.00 60.65 58.09 1dt7 h LYS 5 Cb 1.25 0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 31.94 1dt7 h LYS 5 CO 0.12 0.87 -0.28 0.00 -1.08 0.00 0.00 179.45 179.09 1dt7 h ALA 6 N 1.07 0.37 -0.82 3.86 0.00 -1.34 -1.98 119.26 120.42 1dt7 h ALA 6 Ca -0.01 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.46 1dt7 h ALA 6 Cb 1.19 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.86 1dt7 h ALA 6 CO 0.11 0.38 0.35 0.52 0.00 0.00 0.00 179.25 180.60 1dt7 h MET 7 N 0.35 1.20 -0.50 0.00 2.86 -1.45 -2.29 114.93 115.11 1dt7 h MET 7 Ca 0.04 -0.20 -0.09 0.00 -2.06 0.00 0.00 59.70 57.38 1dt7 h MET 7 Cb 0.85 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 32.28 1dt7 h MET 7 CO 0.07 0.96 -0.06 0.28 1.06 0.00 0.00 176.91 179.22 1dt7 h VAL 8 N 1.18 1.26 -0.55 -2.22 2.07 -1.48 -3.08 116.25 113.43 1dt7 h VAL 8 Ca 0.28 -1.14 -0.11 0.00 0.82 0.00 0.00 66.70 66.55 1dt7 h VAL 8 Cb 0.18 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 1dt7 h VAL 8 CO -0.03 0.40 -0.09 0.00 0.02 0.00 0.00 177.57 177.87 1dt7 h ALA 9 N 1.13 0.80 -1.00 1.67 0.00 -0.87 -2.04 119.26 118.94 1dt7 h ALA 9 Ca 0.14 -0.34 0.01 0.00 0.00 0.00 0.00 54.91 54.72 1dt7 h ALA 9 Cb 0.56 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 1dt7 h ALA 9 CO 0.03 0.67 0.66 -0.07 0.00 0.00 0.00 179.25 180.54 1dt7 h LEU 10 N 0.91 1.15 -0.68 0.00 3.38 -1.34 -1.62 115.31 117.11 1dt7 h LEU 10 Ca 0.14 -0.03 -0.12 0.00 0.09 0.00 0.00 57.88 57.97 1dt7 h LEU 10 Cb 0.66 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1dt7 h LEU 10 CO 0.05 0.83 -0.22 0.40 0.09 0.00 0.00 178.44 179.58 1dt7 h ILE 11 N 1.35 1.27 -0.22 1.22 2.04 -1.48 -2.77 117.51 118.93 1dt7 h ILE 11 Ca 0.37 -1.34 0.00 0.00 1.00 0.00 0.00 64.86 64.89 1dt7 h ILE 11 Cb -0.15 1.21 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 1dt7 h ILE 11 CO -0.08 0.45 0.14 -0.78 0.00 0.00 0.00 178.15 177.88 1dt7 h ASP 12 N 0.68 0.25 -0.36 1.72 1.82 -0.56 -2.38 116.42 117.59 1dt7 h ASP 12 Ca 0.09 -0.01 -0.17 0.00 -0.39 0.00 0.00 57.03 56.56 1dt7 h ASP 12 Cb 0.74 -0.06 -0.00 0.00 0.68 0.00 0.00 39.33 40.68 1dt7 h ASP 12 CO 0.06 0.18 -0.42 1.62 -1.61 0.00 0.00 179.24 179.07 1dt7 h VAL 13 N 0.29 1.27 -0.72 2.25 3.04 -1.49 -2.99 116.25 117.90 1dt7 h VAL 13 Ca 0.08 -1.60 0.04 0.00 -1.01 0.00 0.00 66.70 64.22 1dt7 h VAL 13 Cb -0.03 1.44 -0.04 0.00 -2.01 0.00 0.00 31.29 30.65 1dt7 h VAL 13 CO -0.02 0.53 0.47 0.15 -1.01 0.00 0.00 177.57 177.70 1dt7 h PHE 14 N 0.74 0.81 0.00 3.17 3.57 -1.39 -0.12 116.94 123.72 1dt7 h PHE 14 Ca 0.05 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.50 1dt7 h PHE 14 Cb 1.02 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 39.48 1dt7 h PHE 14 CO 0.07 0.46 -0.35 1.25 -2.23 0.00 0.00 178.31 177.50 1dt7 h HIS 15 N 0.83 0.00 -0.77 0.41 2.76 -1.29 -1.85 115.15 115.23 1dt7 h HIS 15 Ca 0.30 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.47 1dt7 h HIS 15 Cb 0.13 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 29.05 1dt7 h HIS 15 CO -0.00 0.35 0.50 1.96 -1.30 0.00 0.00 177.93 179.44 1dt7 h GLN 16 N 0.00 1.03 0.07 5.26 1.08 -0.89 -2.53 115.11 119.13 1dt7 h GLN 16 Ca -0.00 -0.07 -0.36 0.00 -1.45 0.00 0.00 58.65 56.76 1dt7 h GLN 16 Cb 0.76 -0.23 -0.04 0.00 -0.05 0.00 0.00 27.48 27.93 1dt7 h GLN 16 CO 0.05 0.70 -2.08 0.66 -0.95 0.00 0.00 178.83 177.20 1dt7 n TYR 17 N -4.53 0.87 -0.38 2.96 4.02 -1.18 -3.85 117.16 115.08 1dt7 n TYR 17 Ca 0.07 0.21 -0.02 0.00 -0.01 0.00 0.00 57.90 58.15 1dt7 n TYR 17 Cb 0.03 -1.12 0.11 0.00 -0.02 0.00 0.00 39.34 38.34 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 0.04 1.16 0.78 7.72 0.02 -1.38 -0.90 113.55 120.99 1dt7 h SER 18 Ca -0.44 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 1dt7 h SER 18 Cb 2.02 -0.29 0.00 0.00 0.14 0.00 0.00 62.40 64.27 1dt7 h SER 18 CO 0.05 0.84 0.00 0.61 -1.14 0.00 0.00 176.83 177.19 1dt7 n GLY 19 N -1.38 -1.37 0.14 -3.77 0.00 -0.96 -3.13 105.19 94.73 1dt7 n GLY 19 Ca 0.12 -0.11 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 0.38 -6.21 1.61 2.43 -1.26 -3.43 114.38 107.90 1dt7 h ARG 20 Ca 0.00 -0.02 -0.57 0.00 -0.81 0.00 0.00 59.98 58.57 1dt7 h ARG 20 Cb 0.39 -0.09 -0.11 0.00 -0.42 0.00 0.00 29.97 29.74 1dt7 h ARG 20 CO 0.00 0.26 -0.68 -1.21 -1.51 0.00 0.00 179.97 176.83 1dt7 s GLU 21 N -6.16 2.12 0.34 0.20 2.02 -1.24 -4.96 118.70 111.01 1dt7 s GLU 21 Ca -0.13 -1.51 0.05 0.00 0.02 0.00 0.00 54.97 53.40 1dt7 s GLU 21 Cb 0.09 -2.05 0.27 0.00 0.10 0.00 0.00 34.13 32.54 1dt7 s GLU 21 CO 0.71 0.36 0.96 0.78 0.02 0.00 0.00 175.26 178.09 1dt7 h GLY 22 N 2.02 0.00 -5.07 -1.39 0.00 -1.84 -3.14 103.07 93.65 1dt7 h GLY 22 Ca -0.43 0.00 -0.41 0.00 0.00 0.00 0.00 47.33 46.49 1dt7 h GLY 22 CO 0.60 0.00 2.41 1.22 0.00 0.00 0.00 176.54 180.77 1dt7 n ASP 23 N -1.88 5.84 -0.06 0.19 8.00 -1.26 -4.48 116.55 122.89 1dt7 n ASP 23 Ca -0.00 -2.37 -0.12 0.00 0.71 0.00 0.00 54.79 53.00 1dt7 n ASP 23 Cb 0.60 -1.22 -0.06 0.00 -0.02 0.00 0.00 41.12 40.42 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 5.41 0.39 0.00 -1.24 3.64 -1.50 -3.16 116.57 120.11 1dt7 h LYS 24 Ca 0.53 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 59.74 1dt7 h LYS 24 Cb 0.39 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 1dt7 h LYS 24 CO 1.31 0.70 0.00 1.25 -2.27 0.00 0.00 179.45 180.44 1dt7 h HIS 25 N 0.07 0.00 -3.71 1.91 2.76 -1.87 -3.44 115.15 110.87 1dt7 h HIS 25 Ca 0.04 0.00 -0.26 0.00 -2.20 0.00 0.00 60.37 57.95 1dt7 h HIS 25 Cb 0.59 0.00 -0.15 0.00 1.55 0.00 0.00 27.41 29.40 1dt7 h HIS 25 CO 0.07 0.00 -0.70 -1.59 -1.30 0.00 0.00 177.93 174.40 1dt7 s LYS 26 N -3.25 0.88 -0.09 5.26 -2.85 -1.19 -4.06 119.74 114.43 1dt7 s LYS 26 Ca 0.07 -1.33 0.04 0.00 -1.00 0.00 0.00 55.97 53.75 1dt7 s LYS 26 Cb 0.05 -0.33 -0.00 0.00 -2.06 0.00 0.00 37.83 35.49 1dt7 s LYS 26 CO 0.66 0.01 -0.24 -1.17 0.10 0.00 0.00 175.35 174.71 1dt7 s LEU 27 N -2.97 2.08 0.23 2.77 2.96 -0.77 -4.54 118.68 118.45 1dt7 s LEU 27 Ca 0.12 -0.55 -0.04 0.00 -0.22 0.00 0.00 54.13 53.44 1dt7 s LEU 27 Cb 0.03 -1.40 -0.05 0.00 0.50 0.00 0.00 46.19 45.27 1dt7 s LEU 27 CO -0.03 0.17 0.47 -0.54 -1.32 0.00 0.00 176.35 175.11 1dt7 s LYS 28 N 0.26 3.61 0.63 1.98 1.02 -1.26 -0.79 119.74 125.19 1dt7 s LYS 28 Ca -0.17 -0.10 0.26 0.00 0.02 0.00 0.00 55.97 55.99 1dt7 s LYS 28 Cb -0.17 -2.74 1.30 0.00 -0.52 0.00 0.00 37.83 35.70 1dt7 s LYS 28 CO 0.08 0.32 1.74 1.57 -0.92 0.00 0.00 175.35 178.14 1dt7 h LYS 29 N 2.03 0.00 0.12 1.68 2.10 -1.90 0.26 116.57 120.86 1dt7 h LYS 29 Ca -0.47 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.17 1dt7 h LYS 29 Cb 1.18 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.52 1dt7 h LYS 29 CO 0.68 0.00 -0.06 1.03 -2.00 0.00 0.00 179.45 179.10 1dt7 h SER 30 N 0.00 -0.13 -0.79 7.07 0.87 -1.91 -2.23 113.55 116.43 1dt7 h SER 30 Ca 0.14 -0.42 0.00 0.00 -1.23 0.00 0.00 61.79 60.28 1dt7 h SER 30 Cb 1.27 0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 63.23 1dt7 h SER 30 CO -0.00 0.48 0.51 -0.33 -0.53 0.00 0.00 176.83 176.96 1dt7 h GLU 31 N -0.87 1.05 -0.84 2.24 5.08 -1.01 -1.82 114.58 118.41 1dt7 h GLU 31 Ca -0.02 -0.07 0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1dt7 h GLU 31 Cb 0.55 -0.23 -0.04 0.00 0.50 0.00 0.00 28.75 29.52 1dt7 h GLU 31 CO 0.03 0.70 0.56 1.25 -1.00 0.00 0.00 179.01 180.55 1dt7 h LEU 32 N 1.07 0.96 -0.96 1.33 5.85 -0.71 -2.22 115.31 120.63 1dt7 h LEU 32 Ca 0.29 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.98 1dt7 h LEU 32 Cb -0.10 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 40.64 1dt7 h LEU 32 CO -0.06 0.70 0.57 0.50 -0.34 0.00 0.00 178.44 179.81 1dt7 h LYS 33 N 1.14 1.28 -0.46 1.25 3.64 -0.69 -1.83 116.57 120.90 1dt7 h LYS 33 Ca 0.31 -0.12 -0.08 0.00 -1.27 0.00 0.00 60.65 59.49 1dt7 h LYS 33 Cb -0.13 -0.27 -0.02 0.00 -0.41 0.00 0.00 32.23 31.40 1dt7 h LYS 33 CO -0.07 0.90 -0.03 0.93 -2.27 0.00 0.00 179.45 178.91 1dt7 h GLU 34 N 1.31 0.78 0.07 1.90 3.07 -1.24 0.28 114.58 120.75 1dt7 h GLU 34 Ca 0.34 -0.22 -0.00 0.00 -0.50 0.00 0.00 59.36 58.97 1dt7 h GLU 34 Cb -0.06 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 27.77 1dt7 h GLU 34 CO -0.06 0.81 -0.03 1.25 -1.40 0.00 0.00 179.01 179.57 1dt7 h LEU 35 N 0.73 -0.08 -0.24 1.33 6.46 -0.91 -1.36 115.31 121.23 1dt7 h LEU 35 Ca 0.14 -0.20 -0.11 0.00 -0.12 0.00 0.00 57.88 57.59 1dt7 h LEU 35 Cb 0.49 0.02 -0.00 0.00 -0.73 0.00 0.00 40.66 40.44 1dt7 h LEU 35 CO 0.02 0.16 -0.26 0.40 -0.62 0.00 0.00 178.44 178.14 1dt7 h ILE 36 N -0.32 1.32 -0.39 4.05 2.04 -1.17 0.67 117.51 123.71 1dt7 h ILE 36 Ca -0.01 -1.44 -0.16 0.00 1.00 0.00 0.00 64.86 64.25 1dt7 h ILE 36 Cb 0.28 1.68 -0.01 0.00 -0.74 0.00 0.00 36.82 38.04 1dt7 h ILE 36 CO 0.02 0.45 -0.39 0.78 0.00 0.00 0.00 178.15 179.01 1dt7 h ASN 37 N 0.32 1.01 0.00 1.72 -0.26 -0.49 -3.08 115.58 114.80 1dt7 h ASN 37 Ca 0.04 -0.46 -0.38 0.00 -0.56 0.00 0.00 56.30 54.94 1dt7 h ASN 37 Cb 0.83 -0.28 -0.07 0.00 -1.06 0.00 0.00 38.32 37.74 1dt7 h ASN 37 CO 0.06 1.27 -2.42 0.59 -1.06 0.00 0.00 177.43 175.87 1dt7 n ASN 38 N -4.06 1.23 0.01 5.81 5.03 -0.52 -3.67 115.26 119.11 1dt7 n ASN 38 Ca -0.02 -0.08 0.13 0.00 0.87 0.00 0.00 54.58 55.48 1dt7 n ASN 38 Cb 0.55 0.16 0.47 0.00 -1.02 0.00 0.00 39.78 39.94 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 -3.04 0.05 -2.70 3.52 4.07 0.23 -3.88 120.64 118.89 1dt7 n GLU 39 Ca -0.40 0.03 -0.06 0.00 -0.06 0.00 0.00 57.16 56.67 1dt7 n GLU 39 Cb 1.05 -1.54 0.04 0.00 -0.06 0.00 0.00 31.44 30.92 1dt7 n GLU 39 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 1dt7 n LEU 40 N -1.62 2.00 -0.34 4.31 4.77 -1.16 -4.88 117.00 120.07 1dt7 n LEU 40 Ca 0.06 -3.48 -0.03 0.00 -0.03 0.00 0.00 56.01 52.54 1dt7 n LEU 40 Cb 0.35 0.35 0.09 0.00 -2.33 0.00 0.00 43.42 41.88 1dt7 n LEU 40 CO 0.30 1.33 1.26 0.28 -1.33 0.00 0.00 177.39 179.23 1dt7 h SER 41 N 2.68 1.05 0.00 -1.43 0.02 -1.67 -3.13 113.55 111.06 1dt7 h SER 41 Ca -0.06 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.86 1dt7 h SER 41 Cb 1.25 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.53 1dt7 h SER 41 CO 0.35 0.76 -0.99 0.00 -1.14 0.00 0.00 176.83 175.81 1dt7 n HIS 42 N -4.45 0.00 -0.09 3.45 1.44 -1.26 -4.09 115.22 110.22 1dt7 n HIS 42 Ca 0.10 0.00 -0.09 0.00 -2.01 0.00 0.00 57.72 55.73 1dt7 n HIS 42 Cb 0.01 0.00 0.07 0.00 0.12 0.00 0.00 29.99 30.19 1dt7 n HIS 42 CO 0.00 0.00 0.00 0.35 -2.81 0.00 0.00 176.34 173.88 1dt7 h PHE 43 N 0.00 0.91 -3.42 -1.40 3.57 -1.90 -3.45 116.94 111.25 1dt7 h PHE 43 Ca 0.00 -0.22 -0.32 0.00 3.53 0.00 0.00 57.97 60.96 1dt7 h PHE 43 Cb 0.22 -0.21 -0.15 0.00 2.79 0.00 0.00 35.95 38.60 1dt7 h PHE 43 CO 0.00 0.97 -0.71 -1.17 -2.23 0.00 0.00 178.31 175.16 1dt7 s LEU 44 N -8.87 2.52 -0.31 0.59 2.96 -1.18 -5.06 118.68 109.33 1dt7 s LEU 44 Ca -0.09 -1.02 -0.34 0.00 -0.22 0.00 0.00 54.13 52.46 1dt7 s LEU 44 Cb 0.13 -0.32 -0.10 0.00 0.50 0.00 0.00 46.19 46.39 1dt7 s LEU 44 CO 0.84 -0.35 2.17 -1.84 -1.32 0.00 0.00 176.35 175.86 1dt7 n GLU 45 N -0.19 1.27 -1.84 1.98 0.28 -1.26 -4.53 120.64 116.35 1dt7 n GLU 45 Ca -0.10 0.36 -0.41 0.00 -0.16 0.00 0.00 57.16 56.84 1dt7 n GLU 45 Cb 0.61 -2.60 -0.02 0.00 1.43 0.00 0.00 31.44 30.86 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 6.10 4.16 0.23 3.44 2.12 -1.26 -4.95 118.70 128.54 1dt7 s GLU 46 Ca 1.07 2.51 -0.29 0.00 0.36 0.00 0.00 54.97 58.62 1dt7 s GLU 46 Cb -0.77 -3.04 -0.09 0.00 0.26 0.00 0.00 34.13 30.49 1dt7 s GLU 46 CO 0.47 -0.58 0.92 0.42 -0.54 0.00 0.00 175.26 175.95 1dt7 s ILE 47 N -0.02 4.12 -0.04 -3.70 1.01 -1.26 -4.94 121.20 116.36 1dt7 s ILE 47 Ca 0.62 2.04 0.09 0.00 0.00 0.00 0.00 60.65 63.41 1dt7 s ILE 47 Cb -0.46 -4.31 -0.14 0.00 0.01 0.00 0.00 42.46 37.56 1dt7 s ILE 47 CO 0.47 0.50 0.15 0.29 0.00 0.00 0.00 174.94 176.35 1dt7 n LYS 48 N 1.53 1.07 -4.91 2.79 4.01 -1.26 -4.77 118.16 116.62 1dt7 n LYS 48 Ca -0.02 -0.06 -0.27 0.00 -0.51 0.00 0.00 58.31 57.44 1dt7 n LYS 48 Cb 0.47 -1.24 -0.15 0.00 -0.51 0.00 0.00 35.03 33.60 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 -2.53 1.63 0.52 1.97 2.02 -1.26 -5.01 118.70 116.04 1dt7 s GLU 49 Ca -0.04 -0.84 0.18 0.00 0.02 0.00 0.00 54.97 54.29 1dt7 s GLU 49 Cb 0.05 -1.64 1.33 0.00 0.10 0.00 0.00 34.13 33.97 1dt7 s GLU 49 CO 0.40 0.44 2.15 0.37 0.02 0.00 0.00 175.26 178.64 1dt7 h GLN 50 N 5.31 0.00 -1.00 1.61 5.75 -2.01 -2.29 115.11 122.48 1dt7 h GLN 50 Ca -0.41 0.00 0.01 0.00 -0.15 0.00 0.00 58.65 58.10 1dt7 h GLN 50 Cb 1.14 0.00 -0.05 0.00 1.07 0.00 0.00 27.48 29.64 1dt7 h GLN 50 CO 0.46 0.02 0.65 1.05 -2.65 0.00 0.00 178.83 178.37 1dt7 h GLU 51 N 0.00 1.32 -0.95 1.69 -0.00 -2.00 -1.63 114.58 113.02 1dt7 h GLU 51 Ca -0.00 -0.08 -0.00 0.00 -0.00 0.00 0.00 59.36 59.27 1dt7 h GLU 51 Cb 0.04 -0.30 -0.05 0.00 -0.00 0.00 0.00 28.75 28.45 1dt7 h GLU 51 CO 0.00 0.88 0.58 0.28 -0.00 0.00 0.00 179.01 180.75 1dt7 h VAL 52 N 1.36 1.26 -0.72 -1.06 2.07 -1.84 -1.04 116.25 116.27 1dt7 h VAL 52 Ca 0.36 -0.55 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 1dt7 h VAL 52 Cb -0.15 -0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 29.50 1dt7 h VAL 52 CO -0.08 0.27 0.35 0.58 0.02 0.00 0.00 177.57 178.71 1dt7 h VAL 53 N 1.30 1.23 -0.48 2.57 2.07 -1.38 -1.80 116.25 119.76 1dt7 h VAL 53 Ca 0.34 -0.63 -0.07 0.00 0.82 0.00 0.00 66.70 67.16 1dt7 h VAL 53 Cb -0.07 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 29.98 1dt7 h VAL 53 CO -0.07 0.27 0.01 -0.78 0.02 0.00 0.00 177.57 177.02 1dt7 h ASP 54 N 1.02 0.76 -0.53 0.57 1.82 -0.45 -0.24 116.42 119.37 1dt7 h ASP 54 Ca 0.25 -0.18 -0.12 0.00 -0.39 0.00 0.00 57.03 56.59 1dt7 h ASP 54 Cb 0.09 -0.20 -0.02 0.00 0.68 0.00 0.00 39.33 39.89 1dt7 h ASP 54 CO -0.03 0.82 -0.15 0.50 -1.61 0.00 0.00 179.24 178.77 1dt7 h LYS 55 N 0.74 1.03 -0.25 0.28 3.64 -0.73 -0.77 116.57 120.52 1dt7 h LYS 55 Ca 0.15 -0.41 -0.09 0.00 -1.27 0.00 0.00 60.65 59.04 1dt7 h LYS 55 Cb 0.44 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 1dt7 h LYS 55 CO 0.02 1.10 -0.21 0.28 -2.27 0.00 0.00 179.45 178.36 1dt7 h VAL 56 N 0.91 1.25 0.00 2.00 2.07 -0.98 -1.36 116.25 120.14 1dt7 h VAL 56 Ca 0.13 -1.17 -0.05 0.00 0.82 0.00 0.00 66.70 66.43 1dt7 h VAL 56 Cb 0.73 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.79 1dt7 h VAL 56 CO 0.06 0.37 -0.22 0.24 0.02 0.00 0.00 177.57 178.04 1dt7 h MET 57 N 0.40 0.00 -1.01 1.57 2.86 -0.42 0.32 114.93 118.65 1dt7 h MET 57 Ca 0.07 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.72 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 0.22 0.67 1.49 1.06 0.00 0.00 176.91 180.39 1dt7 h GLU 58 N 0.00 1.33 0.16 1.72 4.81 0.03 3.61 114.58 126.23 1dt7 h GLU 58 Ca -0.00 -0.08 -0.31 0.00 -0.13 0.00 0.00 59.36 58.84 1dt7 h GLU 58 Cb 0.70 -0.30 0.01 0.00 0.63 0.00 0.00 28.75 29.78 1dt7 h GLU 58 CO 0.03 0.88 -1.48 1.15 -0.73 0.00 0.00 179.01 178.86 1dt7 h THR 59 N 1.36 1.24 0.00 0.32 2.02 -1.37 -3.34 112.91 113.14 1dt7 h THR 59 Ca 0.37 -2.81 0.00 0.00 0.77 0.00 0.00 66.41 64.74 1dt7 h THR 59 Cb -0.15 2.86 0.00 0.00 -1.74 0.00 0.00 68.15 69.12 1dt7 h THR 59 CO -0.08 0.84 -0.73 -0.07 0.37 0.00 0.00 175.52 175.85 1dt7 h LEU 60 N 0.09 0.00 -5.04 2.58 4.07 0.11 -3.37 115.31 113.74 1dt7 h LEU 60 Ca -0.23 -0.05 -0.67 0.00 0.08 0.00 0.00 57.88 57.01 1dt7 h LEU 60 Cb 2.05 0.00 0.03 0.00 1.08 0.00 0.00 40.66 43.81 1dt7 h LEU 60 CO 0.20 0.02 3.82 -0.67 -1.08 0.00 0.00 178.44 180.73 1dt7 n ASP 61 N -2.62 8.62 -0.37 -0.43 -0.08 1.19 -4.55 116.55 118.31 1dt7 n ASP 61 Ca 0.01 -2.59 -0.02 0.00 -1.51 0.00 0.00 54.79 50.69 1dt7 n ASP 61 Cb 0.52 -1.56 0.11 0.00 2.34 0.00 0.00 41.12 42.53 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 5.02 1.32 0.00 -0.67 5.08 -1.80 0.20 114.58 123.73 1dt7 h GLU 62 Ca 0.87 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 59.15 1dt7 h GLU 62 Cb 0.29 -0.30 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1dt7 h GLU 62 CO 1.79 0.87 0.00 -0.25 -1.00 0.00 0.00 179.01 180.42 1dt7 n ASP 63 N -4.38 0.41 -1.31 1.42 8.00 -1.26 -4.87 116.55 114.56 1dt7 n ASP 63 Ca 0.12 0.58 -0.12 0.00 0.71 0.00 0.00 54.79 56.08 1dt7 n ASP 63 Cb 0.01 -0.67 -0.01 0.00 -0.02 0.00 0.00 41.12 40.43 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 0.45 0.00 0.66 0.44 0.00 0.70 -4.89 105.19 102.55 1dt7 n GLY 64 Ca 0.04 -0.40 0.08 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.22 2.44 0.00 1.61 5.75 -1.26 -4.93 116.55 119.93 1dt7 n ASP 65 Ca -0.14 -1.70 0.00 0.00 -0.01 0.00 0.00 54.79 52.94 1dt7 n ASP 65 Cb 0.59 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.63 1dt7 n ASP 65 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1dt7 n GLY 66 N 0.89 0.72 2.96 6.12 0.00 -1.26 -4.99 105.19 109.62 1dt7 n GLY 66 Ca 0.10 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.94 1dt7 n GLY 66 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1dt7 s GLU 67 N -0.00 0.63 -0.19 1.61 2.02 -1.26 -2.85 118.70 118.66 1dt7 s GLU 67 Ca 0.00 -0.20 -0.08 0.00 0.02 0.00 0.00 54.97 54.71 1dt7 s GLU 67 Cb 0.00 -0.62 -0.04 0.00 0.10 0.00 0.00 34.13 33.57 1dt7 s GLU 67 CO 0.00 0.08 0.07 0.00 0.02 0.00 0.00 175.26 175.43 1dt7 s ASP 69 N 0.46 3.24 0.30 0.00 -1.08 -1.26 -1.85 116.67 116.48 1dt7 s ASP 69 Ca 0.04 1.00 0.06 0.00 -0.52 0.00 0.00 52.55 53.13 1dt7 s ASP 69 Cb -0.12 -1.60 0.75 0.00 -1.46 0.00 0.00 42.92 40.49 1dt7 s ASP 69 CO 0.00 -2.72 1.77 0.15 0.52 0.00 0.00 175.17 174.89 1dt7 h PHE 70 N -1.62 1.07 -0.01 -5.34 3.57 -1.93 0.10 116.94 112.79 1dt7 h PHE 70 Ca -0.52 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.02 1dt7 h PHE 70 Cb 1.33 -0.32 -0.00 0.00 2.79 0.00 0.00 35.95 39.75 1dt7 h PHE 70 CO 0.26 0.22 0.00 0.37 -2.23 0.00 0.00 178.31 176.94 1dt7 h GLN 71 N 0.75 0.01 -0.91 1.11 4.15 -1.93 -1.05 115.11 117.24 1dt7 h GLN 71 Ca 0.59 -0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.99 1dt7 h GLN 71 Cb 0.93 -0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.57 1dt7 h GLN 71 CO -0.39 0.04 0.51 0.93 -1.93 0.00 0.00 178.83 177.99 1dt7 h GLU 72 N -0.03 1.26 -0.37 1.69 5.08 -1.22 -2.04 114.58 118.96 1dt7 h GLU 72 Ca 0.00 -0.14 -0.07 0.00 -1.00 0.00 0.00 59.36 58.15 1dt7 h GLU 72 Cb 0.04 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.02 1dt7 h GLU 72 CO -0.00 0.91 -0.06 0.35 -1.00 0.00 0.00 179.01 179.21 1dt7 h PHE 73 N 1.27 0.65 -0.88 4.33 3.04 -0.77 -2.73 116.94 121.85 1dt7 h PHE 73 Ca 0.32 -0.09 0.01 0.00 3.98 0.00 0.00 57.97 62.19 1dt7 h PHE 73 Cb 0.01 -0.18 -0.04 0.00 2.56 0.00 0.00 35.95 38.30 1dt7 h PHE 73 CO 0.01 0.66 0.58 1.98 -2.02 0.00 0.00 178.31 179.52 1dt7 h MET 74 N 0.57 1.14 -0.02 1.11 4.05 -0.45 -2.13 114.93 119.20 1dt7 h MET 74 Ca 0.11 -0.07 -0.11 0.00 -0.28 0.00 0.00 59.70 59.36 1dt7 h MET 74 Cb 0.46 -0.26 -0.01 0.00 -0.80 0.00 0.00 31.60 30.98 1dt7 h MET 74 CO 0.02 0.76 -0.48 0.00 0.23 0.00 0.00 176.91 177.44 1dt7 h ALA 75 N 1.46 1.17 0.00 0.39 0.00 -1.30 -2.82 119.26 118.16 1dt7 h ALA 75 Ca 0.33 -0.44 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 1dt7 h ALA 75 Cb -0.11 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1dt7 h ALA 75 CO -0.08 0.61 -0.23 0.35 0.00 0.00 0.00 179.25 179.91 1dt7 h PHE 76 N 0.04 0.00 0.02 0.00 3.04 -1.35 -2.53 116.94 116.15 1dt7 h PHE 76 Ca -0.00 0.00 -0.21 0.00 3.98 0.00 0.00 57.97 61.74 1dt7 h PHE 76 Cb 0.87 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 39.36 1dt7 h PHE 76 CO 0.00 0.23 -0.94 0.28 -2.02 0.00 0.00 178.31 175.86 1dt7 h VAL 77 N 0.00 1.57 -0.23 1.41 2.07 -1.39 -3.03 116.25 116.65 1dt7 h VAL 77 Ca -0.00 -2.90 -0.08 0.00 0.82 0.00 0.00 66.70 64.54 1dt7 h VAL 77 Cb 0.55 2.63 -0.01 0.00 -1.52 0.00 0.00 31.29 32.94 1dt7 h VAL 77 CO 0.03 0.84 -0.15 0.28 0.02 0.00 0.00 177.57 178.59 1dt7 h SER 78 N 0.06 0.53 -0.29 0.57 0.02 -1.39 -2.27 113.55 110.77 1dt7 h SER 78 Ca -0.04 -0.43 -0.13 0.00 -0.84 0.00 0.00 61.79 60.34 1dt7 h SER 78 Cb 1.62 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 64.01 1dt7 h SER 78 CO 0.14 0.85 -0.32 0.00 -1.14 0.00 0.00 176.83 176.35 1dt7 h MET 79 N 0.21 0.73 -0.35 3.45 -0.00 -1.59 -2.87 114.93 114.51 1dt7 h MET 79 Ca 0.05 -0.40 -0.07 0.00 -0.00 0.00 0.00 59.70 59.28 1dt7 h MET 79 Cb 0.67 0.02 -0.02 0.00 -0.00 0.00 0.00 31.60 32.27 1dt7 h MET 79 CO 0.04 1.02 -0.06 0.28 -0.00 0.00 0.00 176.91 178.19 1dt7 h VAL 80 N 0.48 1.22 -1.01 -0.10 2.07 -1.58 -2.21 116.25 115.13 1dt7 h VAL 80 Ca 0.04 -0.95 0.01 0.00 0.82 0.00 0.00 66.70 66.62 1dt7 h VAL 80 Cb 0.90 1.03 -0.05 0.00 -1.52 0.00 0.00 31.29 31.65 1dt7 h VAL 80 CO 0.08 0.32 0.67 0.74 0.02 0.00 0.00 177.57 179.40 1dt7 h THR 81 N 0.54 1.25 -0.96 2.57 2.02 -1.31 -0.90 112.91 116.13 1dt7 h THR 81 Ca 0.11 -0.47 0.11 0.00 0.77 0.00 0.00 66.41 66.93 1dt7 h THR 81 Cb 0.44 -0.23 -0.08 0.00 -1.74 0.00 0.00 68.15 66.55 1dt7 h THR 81 CO 0.02 0.25 0.61 0.74 0.37 0.00 0.00 175.52 177.51 1dt7 h THR 82 N 1.36 0.93 -0.71 3.16 2.02 -1.18 0.47 112.91 118.97 1dt7 h THR 82 Ca 0.37 -0.32 0.01 0.00 0.77 0.00 0.00 66.41 67.24 1dt7 h THR 82 Cb -0.15 -0.09 -0.03 0.00 -1.74 0.00 0.00 68.15 66.14 1dt7 h THR 82 CO -0.08 0.17 0.47 0.00 0.37 0.00 0.00 175.52 176.44 1dt7 h ALA 83 N 1.55 1.49 -0.62 6.16 0.00 -1.11 -1.05 119.26 125.68 1dt7 h ALA 83 Ca 0.46 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.35 1dt7 h ALA 83 Cb 0.48 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1dt7 h ALA 83 CO -0.23 0.47 0.41 0.00 0.00 0.00 0.00 179.25 179.91 1dt7 h HIS 85 N 0.76 1.27 -0.83 0.00 6.17 -0.83 2.91 115.15 124.60 1dt7 h HIS 85 Ca 0.25 0.03 -0.04 0.00 0.71 0.00 0.00 60.37 61.32 1dt7 h HIS 85 Cb 0.04 -0.43 -0.04 0.00 2.52 0.00 0.00 27.41 29.51 1dt7 h HIS 85 CO -0.00 0.79 0.38 0.93 0.71 0.00 0.00 177.93 180.73 1dt7 h GLU 86 N 1.36 1.21 0.19 5.26 5.08 -1.17 -3.02 114.58 123.49 1dt7 h GLU 86 Ca 0.37 -0.19 -0.34 0.00 -1.00 0.00 0.00 59.36 58.20 1dt7 h GLU 86 Cb -0.14 -0.21 0.01 0.00 0.50 0.00 0.00 28.75 28.91 1dt7 h GLU 86 CO -0.09 0.95 -1.65 0.35 -1.00 0.00 0.00 179.01 177.57 1dt7 h PHE 87 N 1.20 0.73 -1.49 4.33 3.04 -0.96 -3.37 116.94 120.41 1dt7 h PHE 87 Ca 0.28 -0.53 -0.76 0.00 3.98 0.00 0.00 57.97 60.94 1dt7 h PHE 87 Cb 0.15 -0.03 -0.16 0.00 2.56 0.00 0.00 35.95 38.47 1dt7 h PHE 87 CO 0.02 1.60 1.94 0.34 -2.02 0.00 0.00 178.31 180.18 1dt7 n PHE 88 N -3.59 2.87 -2.53 0.41 -0.00 0.97 -4.93 117.46 110.65 1dt7 n PHE 88 Ca -0.21 -2.77 -0.41 0.00 -0.00 0.00 0.00 57.45 54.06 1dt7 n PHE 88 Cb 1.08 -1.89 -0.03 0.00 -0.00 0.00 0.00 39.48 38.63 1dt7 n PHE 88 CO 0.00 0.00 0.00 -1.83 -0.00 0.00 0.00 176.76 174.93 1dt7 s GLU 89 N 0.13 3.23 0.25 -4.13 -1.05 -1.20 -4.64 118.70 111.29 1dt7 s GLU 89 Ca 0.39 -0.35 -0.06 0.00 -0.15 0.00 0.00 54.97 54.80 1dt7 s GLU 89 Cb 0.09 -4.37 0.26 0.00 -0.44 0.00 0.00 34.13 29.67 1dt7 s GLU 89 CO 0.01 -2.18 1.93 1.25 0.95 0.00 0.00 175.26 177.22 1dt7 h HIS 90 N 10.14 1.26 0.00 4.83 -0.00 -1.92 -3.53 115.15 125.94 1dt7 h HIS 90 Ca -0.20 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.20 1dt7 h HIS 90 Cb 1.05 -0.43 0.00 0.00 -0.00 0.00 0.00 27.41 28.03 1dt7 h HIS 90 CO 1.15 0.79 0.00 -1.91 -0.00 0.00 0.00 177.93 177.96