#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 -5.09 0.00 6.12 7.64 -1.26 -4.78 113.62 116.25 1dt7 n SER 1 Ca 0.00 0.39 0.00 0.00 1.01 0.00 0.00 58.87 60.27 1dt7 n SER 1 Cb 0.00 -4.49 0.01 0.00 -1.01 0.00 0.00 64.21 58.73 1dt7 n SER 1 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1dt7 n GLU 2 N -2.39 0.89 -0.25 1.43 0.28 -1.26 -3.93 120.64 115.41 1dt7 n GLU 2 Ca -0.20 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.81 1dt7 n GLU 2 Cb 0.63 -1.01 0.22 0.00 1.43 0.00 0.00 31.44 32.71 1dt7 n GLU 2 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 1dt7 h LEU 3 N 0.00 0.93 -1.02 -1.84 5.85 -2.00 -2.18 115.31 115.04 1dt7 h LEU 3 Ca 0.00 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.71 1dt7 h LEU 3 Cb 0.00 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 40.75 1dt7 h LEU 3 CO 0.00 0.67 0.64 -0.08 -0.34 0.00 0.00 178.44 179.33 1dt7 h GLU 4 N 1.09 1.30 -0.46 1.25 4.81 -1.99 -1.78 114.58 118.80 1dt7 h GLU 4 Ca 0.30 -0.08 -0.12 0.00 -0.13 0.00 0.00 59.36 59.32 1dt7 h GLU 4 Cb -0.11 -0.29 -0.01 0.00 0.63 0.00 0.00 28.75 28.97 1dt7 h GLU 4 CO -0.07 0.87 -0.21 0.87 -0.73 0.00 0.00 179.01 179.74 1dt7 h LYS 5 N 1.33 0.93 -0.53 1.92 6.56 -1.70 -2.81 116.57 122.27 1dt7 h LYS 5 Ca 0.36 -0.38 -0.12 0.00 -1.06 0.00 0.00 60.65 59.44 1dt7 h LYS 5 Cb -0.14 -0.04 -0.02 0.00 -0.57 0.00 0.00 32.23 31.46 1dt7 h LYS 5 CO -0.08 1.04 -0.14 0.00 -2.06 0.00 0.00 179.45 178.21 1dt7 h ALA 6 N 0.95 0.73 -0.87 3.86 0.00 -1.06 -2.22 119.26 120.65 1dt7 h ALA 6 Ca 0.11 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 1dt7 h ALA 6 Cb 0.76 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 1dt7 h ALA 6 CO 0.06 0.67 0.44 0.52 0.00 0.00 0.00 179.25 180.95 1dt7 h MET 7 N 0.90 1.24 -0.62 0.00 2.86 -1.27 -2.12 114.93 115.92 1dt7 h MET 7 Ca 0.13 -0.17 -0.08 0.00 -2.06 0.00 0.00 59.70 57.52 1dt7 h MET 7 Cb 0.72 -0.23 -0.02 0.00 0.06 0.00 0.00 31.60 32.12 1dt7 h MET 7 CO 0.06 0.93 0.07 0.28 1.06 0.00 0.00 176.91 179.31 1dt7 h VAL 8 N 1.24 1.26 -0.82 -2.22 2.07 -1.34 -3.00 116.25 113.44 1dt7 h VAL 8 Ca 0.30 -1.05 -0.04 0.00 0.82 0.00 0.00 66.70 66.73 1dt7 h VAL 8 Cb 0.08 0.71 -0.04 0.00 -1.52 0.00 0.00 31.29 30.52 1dt7 h VAL 8 CO -0.04 0.39 0.37 0.00 0.02 0.00 0.00 177.57 178.31 1dt7 h ALA 9 N 1.09 1.09 -1.01 1.67 0.00 -0.76 -2.32 119.26 119.03 1dt7 h ALA 9 Ca 0.19 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.93 1dt7 h ALA 9 Cb 0.47 -0.32 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 1dt7 h ALA 9 CO 0.02 0.66 0.67 -0.07 0.00 0.00 0.00 179.25 180.53 1dt7 h LEU 10 N 1.18 1.16 -0.61 0.00 4.07 -1.30 -2.18 115.31 117.63 1dt7 h LEU 10 Ca 0.28 -0.03 -0.10 0.00 0.08 0.00 0.00 57.88 58.11 1dt7 h LEU 10 Cb 0.16 -0.29 -0.02 0.00 1.08 0.00 0.00 40.66 41.59 1dt7 h LEU 10 CO -0.03 0.84 -0.01 0.40 -1.08 0.00 0.00 178.44 178.55 1dt7 h ILE 11 N 1.37 1.27 -0.57 1.22 2.04 -1.44 -2.81 117.51 118.59 1dt7 h ILE 11 Ca 0.37 -1.17 -0.11 0.00 1.00 0.00 0.00 64.86 64.95 1dt7 h ILE 11 Cb -0.16 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 36.71 1dt7 h ILE 11 CO -0.08 0.43 -0.07 0.44 0.00 0.00 0.00 178.15 178.86 1dt7 h ASP 12 N 0.98 1.04 -0.49 1.72 3.32 -0.88 -3.16 116.42 118.96 1dt7 h ASP 12 Ca 0.17 -0.34 -0.13 0.00 0.02 0.00 0.00 57.03 56.75 1dt7 h ASP 12 Cb 0.58 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 1dt7 h ASP 12 CO 0.03 1.13 -0.20 1.62 -1.72 0.00 0.00 179.24 180.10 1dt7 h VAL 13 N 0.94 1.27 -1.00 -1.35 3.04 -1.41 -2.72 116.25 115.02 1dt7 h VAL 13 Ca 0.15 -1.37 0.12 0.00 -1.01 0.00 0.00 66.70 64.60 1dt7 h VAL 13 Cb 0.64 1.10 -0.09 0.00 -2.01 0.00 0.00 31.29 30.93 1dt7 h VAL 13 CO 0.04 0.48 0.63 0.15 -1.01 0.00 0.00 177.57 177.86 1dt7 h PHE 14 N 0.87 1.14 0.00 3.17 3.04 -1.46 0.20 116.94 123.90 1dt7 h PHE 14 Ca 0.11 0.03 -0.04 0.00 3.98 0.00 0.00 57.97 62.06 1dt7 h PHE 14 Cb 0.78 -0.36 -0.01 0.00 2.56 0.00 0.00 35.95 38.93 1dt7 h PHE 14 CO 0.05 0.44 -0.19 1.25 -2.02 0.00 0.00 178.31 177.85 1dt7 h HIS 15 N 0.99 0.00 -0.49 0.41 2.76 -1.51 -1.80 115.15 115.52 1dt7 h HIS 15 Ca 0.50 0.00 0.06 0.00 -2.20 0.00 0.00 60.37 58.73 1dt7 h HIS 15 Cb 0.51 0.00 -0.05 0.00 1.55 0.00 0.00 27.41 29.41 1dt7 h HIS 15 CO -0.00 0.19 0.18 1.96 -1.30 0.00 0.00 177.93 178.95 1dt7 h GLN 16 N 0.00 0.35 0.00 5.26 1.08 -0.64 -3.18 115.11 117.98 1dt7 h GLN 16 Ca -0.00 -0.02 -0.06 0.00 -1.45 0.00 0.00 58.65 57.11 1dt7 h GLN 16 Cb 1.02 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 28.35 1dt7 h GLN 16 CO 0.02 0.23 -1.36 2.48 -0.95 0.00 0.00 178.83 179.25 1dt7 n TYR 17 N -5.00 0.00 -0.18 2.96 4.11 -1.24 -4.66 117.16 113.16 1dt7 n TYR 17 Ca 0.05 0.00 -0.11 0.00 -0.00 0.00 0.00 57.90 57.84 1dt7 n TYR 17 Cb 0.19 -0.23 0.01 0.00 -0.00 0.00 0.00 39.34 39.30 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 1.04 0.42 9.48 0.87 -1.43 -2.76 113.55 121.17 1dt7 h SER 18 Ca -0.09 -0.37 0.00 0.00 -1.23 0.00 0.00 61.79 60.10 1dt7 h SER 18 Cb 0.92 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.60 1dt7 h SER 18 CO 0.01 1.17 0.00 0.61 -0.53 0.00 0.00 176.83 178.08 1dt7 n GLY 19 N -0.21 -0.92 0.04 5.77 0.00 -1.20 -3.17 105.19 105.51 1dt7 n GLY 19 Ca 0.01 -0.05 -0.12 0.00 0.00 0.00 0.00 46.02 45.86 1dt7 n GLY 19 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1dt7 h ARG 20 N 0.00 0.00 -6.74 1.61 3.08 -1.74 -3.43 114.38 107.16 1dt7 h ARG 20 Ca 0.00 -0.00 -0.45 0.00 0.07 0.00 0.00 59.98 59.60 1dt7 h ARG 20 Cb 0.21 -0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.29 1dt7 h ARG 20 CO 0.00 0.00 -0.07 -1.21 -1.07 0.00 0.00 179.97 177.62 1dt7 s GLU 21 N -6.19 2.94 0.55 0.04 2.02 -1.19 -4.94 118.70 111.93 1dt7 s GLU 21 Ca -0.13 -0.54 0.29 0.00 0.02 0.00 0.00 54.97 54.61 1dt7 s GLU 21 Cb 0.06 -2.53 1.57 0.00 0.10 0.00 0.00 34.13 33.32 1dt7 s GLU 21 CO 0.66 -0.39 1.86 0.78 0.02 0.00 0.00 175.26 178.20 1dt7 h GLY 22 N 0.31 0.00 -4.48 -1.39 0.00 -1.85 -3.12 103.07 92.53 1dt7 h GLY 22 Ca -0.45 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 46.71 1dt7 h GLY 22 CO 0.56 0.00 0.32 1.22 0.00 0.00 0.00 176.54 178.64 1dt7 n ASP 23 N -2.68 3.75 -0.07 0.19 8.00 -1.26 -4.37 116.55 120.11 1dt7 n ASP 23 Ca -0.02 -2.17 -0.15 0.00 0.71 0.00 0.00 54.79 53.15 1dt7 n ASP 23 Cb 0.25 -0.97 -0.05 0.00 -0.02 0.00 0.00 41.12 40.34 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 4.31 0.87 -0.01 -1.24 3.64 -1.68 -3.11 116.57 119.35 1dt7 h LYS 24 Ca 0.19 -0.57 0.00 0.00 -1.27 0.00 0.00 60.65 58.99 1dt7 h LYS 24 Cb 0.89 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.78 1dt7 h LYS 24 CO 0.49 1.20 -0.01 1.58 -2.27 0.00 0.00 179.45 180.44 1dt7 n HIS 25 N -4.00 0.00 -4.01 1.91 -0.00 -1.26 -4.77 115.22 103.09 1dt7 n HIS 25 Ca -0.05 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 58.03 1dt7 n HIS 25 Cb 0.64 -0.01 -0.07 0.00 -0.12 0.00 0.00 29.99 30.44 1dt7 n HIS 25 CO 0.00 0.00 0.00 -1.59 0.46 0.00 0.00 176.34 175.21 1dt7 s LYS 26 N -2.02 1.31 -0.08 1.57 -2.85 -1.18 -4.47 119.74 112.03 1dt7 s LYS 26 Ca 0.38 -1.27 0.04 0.00 -1.00 0.00 0.00 55.97 54.12 1dt7 s LYS 26 Cb 0.21 0.40 0.00 0.00 -2.06 0.00 0.00 37.83 36.38 1dt7 s LYS 26 CO 0.34 -0.50 -0.21 -1.17 0.10 0.00 0.00 175.35 173.91 1dt7 s LEU 27 N -3.01 1.98 0.01 2.77 2.96 -0.94 -4.65 118.68 117.80 1dt7 s LEU 27 Ca 0.22 -0.47 0.01 0.00 -0.22 0.00 0.00 54.13 53.67 1dt7 s LEU 27 Cb 0.02 -1.23 -0.04 0.00 0.50 0.00 0.00 46.19 45.44 1dt7 s LEU 27 CO 0.05 0.15 0.03 -0.75 -1.32 0.00 0.00 176.35 174.51 1dt7 s LYS 28 N 0.27 2.85 0.55 1.98 2.47 -1.26 -0.74 119.74 125.87 1dt7 s LYS 28 Ca -0.13 -0.61 0.22 0.00 -1.56 0.00 0.00 55.97 53.89 1dt7 s LYS 28 Cb -0.16 -2.72 0.75 0.00 -1.46 0.00 0.00 37.83 34.24 1dt7 s LYS 28 CO 0.06 0.62 1.15 1.17 0.16 0.00 0.00 175.35 178.51 1dt7 n LYS 29 N 1.16 0.01 -0.04 4.03 4.81 -1.13 0.18 118.16 127.18 1dt7 n LYS 29 Ca -0.13 0.92 -0.13 0.00 -0.87 0.00 0.00 58.31 58.09 1dt7 n LYS 29 Cb 0.52 -2.30 -0.11 0.00 0.02 0.00 0.00 35.03 33.16 1dt7 n LYS 29 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1dt7 h SER 30 N 0.00 -0.00 -0.05 3.14 0.87 -1.92 -2.49 113.55 113.10 1dt7 h SER 30 Ca 0.41 -0.73 -0.11 0.00 -1.23 0.00 0.00 61.79 60.13 1dt7 h SER 30 Cb 2.59 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 64.53 1dt7 h SER 30 CO -0.00 0.73 -0.30 -0.33 -0.53 0.00 0.00 176.83 176.39 1dt7 h GLU 31 N -0.73 0.51 -0.71 2.24 5.08 0.15 -2.82 114.58 118.31 1dt7 h GLU 31 Ca -0.00 -0.22 0.01 0.00 -1.00 0.00 0.00 59.36 58.15 1dt7 h GLU 31 Cb 0.73 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.92 1dt7 h GLU 31 CO 0.00 0.76 0.47 1.25 -1.00 0.00 0.00 179.01 180.49 1dt7 h LEU 32 N 0.44 0.82 -1.04 1.33 5.85 -1.02 -1.48 115.31 120.21 1dt7 h LEU 32 Ca 0.06 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.76 1dt7 h LEU 32 Cb 0.75 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.53 1dt7 h LEU 32 CO 0.06 0.59 0.59 0.50 -0.34 0.00 0.00 178.44 179.84 1dt7 h LYS 33 N 0.97 1.24 -0.85 1.25 3.64 -1.20 -1.95 116.57 119.67 1dt7 h LYS 33 Ca 0.26 -0.09 -0.03 0.00 -1.27 0.00 0.00 60.65 59.52 1dt7 h LYS 33 Cb -0.11 -0.27 -0.04 0.00 -0.41 0.00 0.00 32.23 31.40 1dt7 h LYS 33 CO -0.06 0.84 0.40 1.49 -2.27 0.00 0.00 179.45 179.86 1dt7 h GLU 34 N 1.27 1.22 -0.10 1.90 4.81 -1.10 0.49 114.58 123.08 1dt7 h GLU 34 Ca 0.34 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 1dt7 h GLU 34 Cb -0.10 -0.22 -0.00 0.00 0.63 0.00 0.00 28.75 29.05 1dt7 h GLU 34 CO -0.07 0.94 0.06 1.25 -0.73 0.00 0.00 179.01 180.47 1dt7 h LEU 35 N 1.21 0.11 -0.03 1.64 7.12 -0.58 0.99 115.31 125.77 1dt7 h LEU 35 Ca 0.29 -0.01 -0.05 0.00 0.13 0.00 0.00 57.88 58.25 1dt7 h LEU 35 Cb 0.12 -0.03 0.00 0.00 -0.53 0.00 0.00 40.66 40.23 1dt7 h LEU 35 CO -0.04 0.09 -0.16 0.40 -0.13 0.00 0.00 178.44 178.60 1dt7 h ILE 36 N 0.13 1.49 0.08 4.05 2.04 -0.99 -2.98 117.51 121.32 1dt7 h ILE 36 Ca 0.04 -1.67 -0.11 0.00 1.00 0.00 0.00 64.86 64.11 1dt7 h ILE 36 Cb -0.01 2.50 0.01 0.00 -0.74 0.00 0.00 36.82 38.58 1dt7 h ILE 36 CO -0.01 0.46 -0.50 0.78 0.00 0.00 0.00 178.15 178.89 1dt7 h ASN 37 N -0.43 0.30 0.01 1.72 2.35 -0.02 -3.12 115.58 116.38 1dt7 h ASN 37 Ca -0.01 -0.95 -0.00 0.00 -0.55 0.00 0.00 56.30 54.79 1dt7 h ASN 37 Cb 0.83 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 39.11 1dt7 h ASN 37 CO 0.03 1.22 -0.00 -1.13 -1.65 0.00 0.00 177.43 175.90 1dt7 h ASN 38 N -0.58 -0.01 -0.28 5.81 -0.00 -0.95 -3.27 115.58 116.30 1dt7 h ASN 38 Ca -0.08 -0.81 -0.19 0.00 -0.00 0.00 0.00 56.30 55.22 1dt7 h ASN 38 Cb 1.37 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.69 1dt7 h ASN 38 CO 0.09 0.83 -0.56 -0.08 -0.00 0.00 0.00 177.43 177.71 1dt7 h GLU 39 N -0.87 0.88 -2.43 6.67 4.81 -1.31 -3.28 114.58 119.07 1dt7 h GLU 39 Ca -0.00 -0.57 -0.80 0.00 -0.13 0.00 0.00 59.36 57.86 1dt7 h GLU 39 Cb 0.82 0.07 -0.25 0.00 0.63 0.00 0.00 28.75 30.02 1dt7 h GLU 39 CO 0.00 1.20 1.18 1.28 -0.73 0.00 0.00 179.01 181.94 1dt7 n LEU 40 N -4.00 7.28 -0.38 1.64 4.77 -1.18 -4.76 117.00 120.37 1dt7 n LEU 40 Ca -0.05 -5.29 -0.02 0.00 -0.03 0.00 0.00 56.01 50.62 1dt7 n LEU 40 Cb 0.64 -1.21 0.11 0.00 -2.33 0.00 0.00 43.42 40.62 1dt7 n LEU 40 CO 0.51 1.98 1.29 0.28 -1.33 0.00 0.00 177.39 180.12 1dt7 h SER 41 N 4.48 1.16 0.00 -1.43 0.02 -1.62 -3.35 113.55 112.81 1dt7 h SER 41 Ca 0.50 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.42 1dt7 h SER 41 Cb 0.37 -0.29 0.00 0.00 0.14 0.00 0.00 62.40 62.62 1dt7 h SER 41 CO 1.25 0.84 -0.09 1.57 -1.14 0.00 0.00 176.83 179.26 1dt7 n HIS 42 N -4.38 0.00 -0.01 3.45 -0.00 -1.26 -4.64 115.22 108.39 1dt7 n HIS 42 Ca 0.12 0.00 -0.04 0.00 -0.00 0.00 0.00 57.72 57.80 1dt7 n HIS 42 Cb 0.01 0.00 0.19 0.00 -0.00 0.00 0.00 29.99 30.19 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 0.60 -3.22 1.57 3.57 -1.88 -3.44 116.94 114.13 1dt7 h PHE 43 Ca 0.00 -0.12 -0.37 0.00 3.53 0.00 0.00 57.97 61.01 1dt7 h PHE 43 Cb 0.00 -0.15 -0.14 0.00 2.79 0.00 0.00 35.95 38.44 1dt7 h PHE 43 CO 0.00 0.72 -0.72 -1.17 -2.23 0.00 0.00 178.31 174.91 1dt7 s LEU 44 N -8.76 2.52 -0.18 0.59 2.96 -1.25 -5.08 118.68 109.48 1dt7 s LEU 44 Ca -0.07 -1.03 -0.29 0.00 -0.22 0.00 0.00 54.13 52.52 1dt7 s LEU 44 Cb 0.14 -0.44 -0.04 0.00 0.50 0.00 0.00 46.19 46.34 1dt7 s LEU 44 CO 0.80 -0.29 1.83 -0.70 -1.32 0.00 0.00 176.35 176.66 1dt7 s GLU 45 N -3.72 3.67 0.43 1.98 2.12 -1.26 -4.70 118.70 117.22 1dt7 s GLU 45 Ca 0.19 1.90 -0.26 0.00 0.36 0.00 0.00 54.97 57.16 1dt7 s GLU 45 Cb 0.02 -4.15 -0.09 0.00 0.26 0.00 0.00 34.13 30.17 1dt7 s GLU 45 CO 0.03 -1.46 1.46 -1.91 -0.54 0.00 0.00 175.26 172.84 1dt7 n GLU 46 N 7.94 2.38 -2.54 4.30 2.13 -1.26 -4.94 120.64 128.65 1dt7 n GLU 46 Ca 0.22 0.84 -0.41 0.00 0.66 0.00 0.00 57.16 58.47 1dt7 n GLU 46 Cb 0.45 -2.65 -0.04 0.00 0.27 0.00 0.00 31.44 29.46 1dt7 n GLU 46 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 1dt7 s ILE 47 N -1.17 3.94 -2.04 6.31 -1.09 -1.26 -4.93 121.20 120.95 1dt7 s ILE 47 Ca 0.59 1.67 0.19 0.00 -2.23 0.00 0.00 60.65 60.87 1dt7 s ILE 47 Cb -0.45 -4.07 0.07 0.00 -1.58 0.00 0.00 42.46 36.43 1dt7 s ILE 47 CO 0.59 0.29 1.02 0.29 -1.23 0.00 0.00 174.94 175.90 1dt7 n LYS 48 N 2.38 1.61 -3.70 2.79 4.01 -1.26 -4.94 118.16 119.05 1dt7 n LYS 48 Ca 0.02 -1.27 -0.11 0.00 -0.51 0.00 0.00 58.31 56.45 1dt7 n LYS 48 Cb 0.46 -1.36 -0.10 0.00 -0.51 0.00 0.00 35.03 33.53 1dt7 n LYS 48 CO 0.00 0.00 0.00 -2.00 -1.11 0.00 0.00 177.40 174.29 1dt7 s GLU 49 N -1.85 0.45 0.55 1.97 -6.30 -1.26 -5.03 118.70 107.23 1dt7 s GLU 49 Ca 0.19 0.77 0.22 0.00 -2.50 0.00 0.00 54.97 53.64 1dt7 s GLU 49 Cb 0.15 0.07 1.49 0.00 0.00 0.00 0.00 34.13 35.84 1dt7 s GLU 49 CO 0.35 -0.13 2.19 0.37 0.02 0.00 0.00 175.26 178.06 1dt7 h GLN 50 N 6.63 0.00 -0.69 4.30 -0.00 -2.01 -2.25 115.11 121.09 1dt7 h GLN 50 Ca -0.34 0.00 0.01 0.00 -0.00 0.00 0.00 58.65 58.32 1dt7 h GLN 50 Cb 1.19 0.00 -0.03 0.00 0.00 0.00 0.00 27.48 28.63 1dt7 h GLN 50 CO 0.27 0.00 0.46 1.05 0.00 0.00 0.00 178.83 180.61 1dt7 h GLU 51 N 0.00 0.91 -0.71 1.69 4.11 -1.99 -0.20 114.58 118.39 1dt7 h GLU 51 Ca -0.00 -0.06 0.01 0.00 0.07 0.00 0.00 59.36 59.38 1dt7 h GLU 51 Cb 0.00 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.01 1dt7 h GLU 51 CO 0.00 0.60 0.47 0.28 0.07 0.00 0.00 179.01 180.43 1dt7 h VAL 52 N 0.94 1.18 -0.20 -1.06 2.07 -1.83 0.09 116.25 117.44 1dt7 h VAL 52 Ca 0.25 -0.33 -0.10 0.00 0.82 0.00 0.00 66.70 67.34 1dt7 h VAL 52 Cb -0.11 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 29.79 1dt7 h VAL 52 CO -0.05 0.18 -0.30 0.58 0.02 0.00 0.00 177.57 177.99 1dt7 h VAL 53 N 0.96 1.27 -0.40 2.57 2.07 -1.15 -1.97 116.25 119.59 1dt7 h VAL 53 Ca 0.26 -1.33 -0.09 0.00 0.82 0.00 0.00 66.70 66.36 1dt7 h VAL 53 Cb -0.11 1.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 1dt7 h VAL 53 CO -0.06 0.41 -0.12 -0.78 0.02 0.00 0.00 177.57 177.04 1dt7 h ASP 54 N 0.35 0.71 -0.46 0.57 1.82 -0.25 -0.09 116.42 119.08 1dt7 h ASP 54 Ca 0.05 -0.21 -0.14 0.00 -0.39 0.00 0.00 57.03 56.34 1dt7 h ASP 54 Cb 0.71 -0.19 -0.01 0.00 0.68 0.00 0.00 39.33 40.51 1dt7 h ASP 54 CO 0.05 0.86 -0.24 0.50 -1.61 0.00 0.00 179.24 178.81 1dt7 h LYS 55 N 0.66 0.98 -0.85 0.28 3.64 -1.04 -0.56 116.57 119.68 1dt7 h LYS 55 Ca 0.11 -0.43 0.01 0.00 -1.27 0.00 0.00 60.65 59.07 1dt7 h LYS 55 Cb 0.59 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.34 1dt7 h LYS 55 CO 0.04 1.10 0.55 0.28 -2.27 0.00 0.00 179.45 179.16 1dt7 h VAL 56 N 0.84 1.22 0.00 2.00 2.07 -0.93 0.10 116.25 121.55 1dt7 h VAL 56 Ca 0.10 -0.43 -0.04 0.00 0.82 0.00 0.00 66.70 67.16 1dt7 h VAL 56 Cb 0.82 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 1dt7 h VAL 56 CO 0.07 0.22 -0.20 0.24 0.02 0.00 0.00 177.57 177.92 1dt7 h MET 57 N 1.16 0.00 -1.01 1.57 2.86 -0.19 0.19 114.93 119.52 1dt7 h MET 57 Ca 0.31 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.97 1dt7 h MET 57 Cb -0.11 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.49 1dt7 h MET 57 CO -0.07 0.20 0.66 0.93 1.06 0.00 0.00 176.91 179.69 1dt7 h GLU 58 N 0.00 1.28 0.17 1.72 5.08 0.59 3.10 114.58 126.52 1dt7 h GLU 58 Ca -0.00 -0.08 -0.35 0.00 -1.00 0.00 0.00 59.36 57.93 1dt7 h GLU 58 Cb 0.68 -0.29 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1dt7 h GLU 58 CO 0.03 0.85 -1.81 0.00 -1.00 0.00 0.00 179.01 177.08 1dt7 h THR 59 N 1.32 0.85 0.00 1.13 1.03 -1.44 -3.36 112.91 112.44 1dt7 h THR 59 Ca 0.38 -2.46 -0.12 0.00 -0.01 0.00 0.00 66.41 64.21 1dt7 h THR 59 Cb -0.08 2.69 -0.02 0.00 -1.07 0.00 0.00 68.15 69.67 1dt7 h THR 59 CO -0.10 0.86 -0.58 -0.07 -0.01 0.00 0.00 175.52 175.62 1dt7 h LEU 60 N 0.07 0.00 -4.94 0.00 4.07 -0.35 -3.29 115.31 110.88 1dt7 h LEU 60 Ca -0.37 0.00 -0.59 0.00 0.08 0.00 0.00 57.88 57.01 1dt7 h LEU 60 Cb 2.07 0.00 0.02 0.00 1.08 0.00 0.00 40.66 43.82 1dt7 h LEU 60 CO 0.15 0.58 3.29 -0.67 -1.08 0.00 0.00 178.44 180.71 1dt7 n ASP 61 N -3.45 7.99 -0.14 -0.43 2.03 1.03 -4.51 116.55 119.08 1dt7 n ASP 61 Ca 0.00 -2.53 0.05 0.00 0.52 0.00 0.00 54.79 52.84 1dt7 n ASP 61 Cb 0.68 -1.49 0.36 0.00 -0.72 0.00 0.00 41.12 39.95 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 4.94 0.70 0.00 -0.67 5.08 -1.79 0.78 114.58 123.63 1dt7 h GLU 62 Ca 0.77 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 59.08 1dt7 h GLU 62 Cb 0.39 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1dt7 h GLU 62 CO 1.59 0.46 0.00 -0.25 -1.00 0.00 0.00 179.01 179.81 1dt7 n ASP 63 N -4.47 0.23 -1.91 1.42 8.00 -1.26 -4.88 116.55 113.68 1dt7 n ASP 63 Ca 0.08 0.53 -0.17 0.00 0.71 0.00 0.00 54.79 55.95 1dt7 n ASP 63 Cb 0.17 -0.59 -0.01 0.00 -0.02 0.00 0.00 41.12 40.67 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 0.91 -0.31 0.86 0.44 0.00 0.27 -4.87 105.19 102.49 1dt7 n GLY 64 Ca 0.05 -0.18 0.07 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.21 3.28 0.00 1.61 5.75 -1.26 -4.91 116.55 119.81 1dt7 n ASP 65 Ca -0.20 -2.05 0.00 0.00 -0.01 0.00 0.00 54.79 52.53 1dt7 n ASP 65 Cb 0.65 -0.32 0.00 0.00 -1.03 0.00 0.00 41.12 40.42 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 0.77 0.58 2.97 6.12 0.00 -1.26 -4.96 105.19 109.42 1dt7 n GLY 66 Ca 0.16 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.40 1.21 -0.23 1.61 2.02 -1.26 -2.86 118.70 118.79 1dt7 s GLU 67 Ca 0.00 -0.27 -0.13 0.00 0.02 0.00 0.00 54.97 54.59 1dt7 s GLU 67 Cb 0.00 -1.08 -0.05 0.00 0.10 0.00 0.00 34.13 33.11 1dt7 s GLU 67 CO 0.00 0.00 0.26 0.00 0.02 0.00 0.00 175.26 175.55 1dt7 s ASP 69 N 1.13 3.61 0.38 0.00 -1.08 -1.26 -2.22 116.67 117.23 1dt7 s ASP 69 Ca 0.12 2.14 0.16 0.00 -0.52 0.00 0.00 52.55 54.45 1dt7 s ASP 69 Cb -0.14 -2.56 1.06 0.00 -1.46 0.00 0.00 42.92 39.82 1dt7 s ASP 69 CO 0.06 -2.65 1.75 0.15 0.52 0.00 0.00 175.17 175.01 1dt7 h PHE 70 N -1.32 0.76 -0.40 -5.34 3.57 -1.91 0.47 116.94 112.77 1dt7 h PHE 70 Ca -0.44 0.03 -0.15 0.00 3.53 0.00 0.00 57.97 60.94 1dt7 h PHE 70 Cb 1.26 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.78 1dt7 h PHE 70 CO 0.51 0.04 -0.33 -0.56 -2.23 0.00 0.00 178.31 175.74 1dt7 h GLN 71 N 0.43 0.92 -0.65 1.11 3.07 -1.96 -1.89 115.11 116.14 1dt7 h GLN 71 Ca 0.63 -0.45 -0.02 0.00 0.09 0.00 0.00 58.65 58.89 1dt7 h GLN 71 Cb 1.49 -0.00 -0.03 0.00 0.08 0.00 0.00 27.48 29.02 1dt7 h GLN 71 CO -0.36 1.11 0.32 0.93 0.09 0.00 0.00 178.83 180.92 1dt7 h GLU 72 N 0.77 0.93 -0.30 0.06 5.08 -0.41 -2.05 114.58 118.65 1dt7 h GLU 72 Ca 0.08 -0.13 -0.09 0.00 -1.00 0.00 0.00 59.36 58.21 1dt7 h GLU 72 Cb 0.91 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 1dt7 h GLU 72 CO 0.08 0.73 -0.20 0.35 -1.00 0.00 0.00 179.01 178.97 1dt7 h PHE 73 N 0.90 0.63 -0.65 4.33 3.57 -1.18 -2.73 116.94 121.80 1dt7 h PHE 73 Ca 0.22 -0.12 0.01 0.00 3.53 0.00 0.00 57.97 61.61 1dt7 h PHE 73 Cb 0.10 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 38.65 1dt7 h PHE 73 CO 0.00 0.73 0.43 0.52 -2.23 0.00 0.00 178.31 177.76 1dt7 h MET 74 N 0.50 0.85 -0.26 1.11 2.86 -0.65 -2.14 114.93 117.21 1dt7 h MET 74 Ca 0.08 -0.05 -0.10 0.00 -2.06 0.00 0.00 59.70 57.57 1dt7 h MET 74 Cb 0.63 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 32.08 1dt7 h MET 74 CO 0.04 0.56 -0.25 0.00 1.06 0.00 0.00 176.91 178.33 1dt7 h ALA 75 N 1.60 1.08 -1.00 6.32 0.00 -1.13 -2.84 119.26 123.29 1dt7 h ALA 75 Ca 0.24 -0.35 0.01 0.00 0.00 0.00 0.00 54.91 54.81 1dt7 h ALA 75 Cb -0.10 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.52 1dt7 h ALA 75 CO -0.05 0.57 0.66 0.35 0.00 0.00 0.00 179.25 180.77 1dt7 h PHE 76 N 0.44 1.25 -0.95 0.00 3.57 -1.38 -2.10 116.94 117.78 1dt7 h PHE 76 Ca 0.06 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.60 1dt7 h PHE 76 Cb 0.68 -0.42 -0.05 0.00 2.79 0.00 0.00 35.95 38.95 1dt7 h PHE 76 CO 0.02 0.79 0.63 0.28 -2.23 0.00 0.00 178.31 177.80 1dt7 h VAL 77 N 1.35 1.24 -0.91 1.41 2.07 -1.43 -2.17 116.25 117.82 1dt7 h VAL 77 Ca 0.37 -0.44 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 1dt7 h VAL 77 Cb -0.15 -0.16 -0.04 0.00 -1.52 0.00 0.00 31.29 29.41 1dt7 h VAL 77 CO -0.08 0.24 0.51 0.77 0.02 0.00 0.00 177.57 179.02 1dt7 h SER 78 N 1.29 1.13 -0.06 0.57 4.64 -1.33 -2.22 113.55 117.56 1dt7 h SER 78 Ca 0.35 -0.10 -0.14 0.00 -0.47 0.00 0.00 61.79 61.43 1dt7 h SER 78 Cb -0.15 -0.29 0.01 0.00 -0.31 0.00 0.00 62.40 61.66 1dt7 h SER 78 CO -0.08 0.90 -0.52 0.24 -0.87 0.00 0.00 176.83 176.50 1dt7 h MET 79 N 1.27 0.47 -0.80 4.77 2.86 -1.37 -3.16 114.93 118.98 1dt7 h MET 79 Ca 0.32 -0.42 0.01 0.00 -2.06 0.00 0.00 59.70 57.55 1dt7 h MET 79 Cb 0.02 0.10 -0.04 0.00 0.06 0.00 0.00 31.60 31.74 1dt7 h MET 79 CO -0.05 1.06 0.53 0.28 1.06 0.00 0.00 176.91 179.78 1dt7 h VAL 80 N 0.02 1.20 -0.78 -2.22 2.07 -1.29 -1.04 116.25 114.21 1dt7 h VAL 80 Ca -0.05 -0.37 0.01 0.00 0.82 0.00 0.00 66.70 67.11 1dt7 h VAL 80 Cb 1.19 0.03 -0.04 0.00 -1.52 0.00 0.00 31.29 30.95 1dt7 h VAL 80 CO 0.11 0.20 0.52 0.74 0.02 0.00 0.00 177.57 179.15 1dt7 h THR 81 N 1.08 1.20 -0.99 2.57 2.02 -1.44 -0.81 112.91 116.53 1dt7 h THR 81 Ca 0.29 -0.36 0.09 0.00 0.77 0.00 0.00 66.41 67.20 1dt7 h THR 81 Cb -0.12 0.05 -0.07 0.00 -1.74 0.00 0.00 68.15 66.26 1dt7 h THR 81 CO -0.06 0.19 0.63 0.74 0.37 0.00 0.00 175.52 177.39 1dt7 h THR 82 N 1.06 1.01 -0.75 3.16 2.02 -1.15 0.22 112.91 118.48 1dt7 h THR 82 Ca 0.29 -0.37 -0.01 0.00 0.77 0.00 0.00 66.41 67.09 1dt7 h THR 82 Cb -0.12 -0.17 -0.04 0.00 -1.74 0.00 0.00 68.15 66.09 1dt7 h THR 82 CO -0.06 0.20 0.44 0.00 0.37 0.00 0.00 175.52 176.46 1dt7 h ALA 83 N 1.49 1.36 -0.35 6.16 0.00 -1.06 -0.81 119.26 126.04 1dt7 h ALA 83 Ca 0.46 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.28 1dt7 h ALA 83 Cb 0.31 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1dt7 h ALA 83 CO -0.22 0.55 0.23 0.00 0.00 0.00 0.00 179.25 179.81 1dt7 h HIS 85 N 0.46 1.14 -0.85 0.00 6.17 -0.57 0.78 115.15 122.28 1dt7 h HIS 85 Ca 0.13 0.03 -0.00 0.00 0.71 0.00 0.00 60.37 61.24 1dt7 h HIS 85 Cb -0.03 -0.38 -0.04 0.00 2.52 0.00 0.00 27.41 29.47 1dt7 h HIS 85 CO -0.00 0.72 0.52 1.49 0.71 0.00 0.00 177.93 181.37 1dt7 h GLU 86 N 1.23 1.14 -0.35 5.26 4.57 -1.28 -2.13 114.58 123.02 1dt7 h GLU 86 Ca 0.33 -0.10 -0.16 0.00 -1.18 0.00 0.00 59.36 58.25 1dt7 h GLU 86 Cb -0.14 -0.24 -0.00 0.00 -0.16 0.00 0.00 28.75 28.20 1dt7 h GLU 86 CO -0.07 0.79 -0.42 0.35 -1.18 0.00 0.00 179.01 178.48 1dt7 h PHE 87 N 1.16 1.09 -1.38 0.92 3.57 -0.98 -3.17 116.94 118.14 1dt7 h PHE 87 Ca 0.31 -0.34 -0.64 0.00 3.53 0.00 0.00 57.97 60.82 1dt7 h PHE 87 Cb -0.07 -0.22 -0.19 0.00 2.79 0.00 0.00 35.95 38.26 1dt7 h PHE 87 CO -0.00 1.16 1.11 0.34 -2.23 0.00 0.00 178.31 178.68 1dt7 n PHE 88 N -4.04 2.22 -1.93 0.41 -0.00 0.26 -4.95 117.46 109.43 1dt7 n PHE 88 Ca -0.03 -2.30 -0.43 0.00 -0.00 0.00 0.00 57.45 54.69 1dt7 n PHE 88 Cb 0.56 -1.45 -0.03 0.00 -0.00 0.00 0.00 39.48 38.57 1dt7 n PHE 88 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 176.76 174.76 1dt7 s GLU 89 N -2.27 3.72 0.49 -4.13 2.56 -1.03 -4.82 118.70 113.23 1dt7 s GLU 89 Ca 0.54 1.91 0.22 0.00 0.00 0.00 0.00 54.97 57.65 1dt7 s GLU 89 Cb 0.32 -4.13 1.27 0.00 2.00 0.00 0.00 34.13 33.60 1dt7 s GLU 89 CO -0.21 -1.40 1.95 0.45 -0.56 0.00 0.00 175.26 175.49 1dt7 h HIS 90 N 11.59 0.19 0.00 5.30 3.86 -1.93 -3.52 115.15 130.65 1dt7 h HIS 90 Ca -0.38 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 58.83 1dt7 h HIS 90 Cb 1.19 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 29.60 1dt7 h HIS 90 CO 0.93 0.07 0.00 -1.91 0.86 0.00 0.00 177.93 177.88