#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 -5.54 0.00 7.83 2.88 -1.26 -4.78 113.62 112.75 1dt7 n SER 1 Ca 0.00 0.49 0.09 0.00 -1.33 0.00 0.00 58.87 58.12 1dt7 n SER 1 Cb 0.00 -4.77 0.56 0.00 -0.75 0.00 0.00 64.21 59.25 1dt7 n SER 1 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1dt7 n GLU 2 N -2.20 0.85 0.28 -1.46 1.02 -1.26 -3.54 120.64 114.32 1dt7 n GLU 2 Ca -0.20 0.00 0.16 0.00 -0.02 0.00 0.00 57.16 57.11 1dt7 n GLU 2 Cb 0.67 -1.35 0.92 0.00 -0.02 0.00 0.00 31.44 31.66 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 -0.71 -4.62 6.46 -2.00 -1.00 115.31 113.44 1dt7 h LEU 3 Ca 0.00 0.00 -0.07 0.00 -0.12 0.00 0.00 57.88 57.69 1dt7 h LEU 3 Cb 0.00 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 39.90 1dt7 h LEU 3 CO 0.00 0.00 0.16 -0.08 -0.62 0.00 0.00 178.44 177.90 1dt7 h GLU 4 N 0.00 1.14 -0.28 1.25 4.81 -1.97 -1.77 114.58 117.75 1dt7 h GLU 4 Ca 0.02 -0.28 -0.12 0.00 -0.13 0.00 0.00 59.36 58.85 1dt7 h GLU 4 Cb 0.15 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 1dt7 h GLU 4 CO -0.00 1.01 -0.34 0.87 -0.73 0.00 0.00 179.01 179.82 1dt7 h LYS 5 N 1.08 0.62 -0.61 1.92 1.57 -1.48 -2.88 116.57 116.79 1dt7 h LYS 5 Ca 0.22 -0.29 -0.10 0.00 -1.87 0.00 0.00 60.65 58.61 1dt7 h LYS 5 Cb 0.39 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.67 1dt7 h LYS 5 CO 0.00 0.87 -0.01 0.00 -0.57 0.00 0.00 179.45 179.75 1dt7 h ALA 6 N 1.10 0.82 -0.69 3.86 0.00 -1.16 -1.77 119.26 121.42 1dt7 h ALA 6 Ca 0.06 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.57 1dt7 h ALA 6 Cb 0.84 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1dt7 h ALA 6 CO 0.07 0.68 0.15 0.52 0.00 0.00 0.00 179.25 180.66 1dt7 h MET 7 N 0.98 1.12 -0.54 0.00 2.86 -1.25 -2.35 114.93 115.77 1dt7 h MET 7 Ca 0.17 -0.28 -0.08 0.00 -2.06 0.00 0.00 59.70 57.44 1dt7 h MET 7 Cb 0.58 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 32.08 1dt7 h MET 7 CO 0.03 1.00 -0.00 0.28 1.06 0.00 0.00 176.91 179.28 1dt7 h VAL 8 N 1.05 1.26 -0.71 -2.22 2.07 -1.35 -3.01 116.25 113.35 1dt7 h VAL 8 Ca 0.21 -1.08 -0.07 0.00 0.82 0.00 0.00 66.70 66.58 1dt7 h VAL 8 Cb 0.40 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 1dt7 h VAL 8 CO 0.01 0.39 0.18 0.00 0.02 0.00 0.00 177.57 178.16 1dt7 h ALA 9 N 1.14 0.98 -1.01 1.67 0.00 -0.89 -2.14 119.26 119.02 1dt7 h ALA 9 Ca 0.16 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.84 1dt7 h ALA 9 Cb 0.51 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 1dt7 h ALA 9 CO 0.03 0.66 0.67 -0.07 0.00 0.00 0.00 179.25 180.53 1dt7 h LEU 10 N 1.07 1.15 -0.60 0.00 4.07 -1.30 -1.91 115.31 117.80 1dt7 h LEU 10 Ca 0.22 -0.03 -0.12 0.00 0.08 0.00 0.00 57.88 58.04 1dt7 h LEU 10 Cb 0.36 -0.29 -0.02 0.00 1.08 0.00 0.00 40.66 41.80 1dt7 h LEU 10 CO 0.00 0.83 -0.17 0.40 -1.08 0.00 0.00 178.44 178.43 1dt7 h ILE 11 N 1.36 1.27 -0.57 1.22 2.04 -1.46 -2.39 117.51 118.98 1dt7 h ILE 11 Ca 0.37 -1.31 -0.10 0.00 1.00 0.00 0.00 64.86 64.82 1dt7 h ILE 11 Cb -0.15 1.07 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 1dt7 h ILE 11 CO -0.08 0.45 -0.04 0.44 0.00 0.00 0.00 178.15 178.92 1dt7 h ASP 12 N 0.83 1.02 -0.25 1.72 3.32 -0.72 -2.68 116.42 119.65 1dt7 h ASP 12 Ca 0.12 -0.32 -0.19 0.00 0.02 0.00 0.00 57.03 56.66 1dt7 h ASP 12 Cb 0.72 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.99 1dt7 h ASP 12 CO 0.06 1.10 -0.58 1.62 -1.72 0.00 0.00 179.24 179.72 1dt7 h VAL 13 N 0.92 1.28 -1.00 -1.35 3.04 -1.37 -3.00 116.25 114.76 1dt7 h VAL 13 Ca 0.16 -1.76 0.01 0.00 -1.01 0.00 0.00 66.70 64.09 1dt7 h VAL 13 Cb 0.60 1.68 -0.05 0.00 -2.01 0.00 0.00 31.29 31.51 1dt7 h VAL 13 CO 0.04 0.57 0.67 0.15 -1.01 0.00 0.00 177.57 177.99 1dt7 h PHE 14 N 0.65 1.26 0.00 3.17 3.57 -1.37 -0.28 116.94 123.94 1dt7 h PHE 14 Ca 0.01 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.51 1dt7 h PHE 14 Cb 1.19 -0.43 -0.00 0.00 2.79 0.00 0.00 35.95 39.50 1dt7 h PHE 14 CO 0.07 0.79 -0.11 0.45 -2.23 0.00 0.00 178.31 177.29 1dt7 h HIS 15 N 1.36 0.00 -0.53 0.41 3.86 -1.42 -1.94 115.15 116.89 1dt7 h HIS 15 Ca 0.37 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.58 1dt7 h HIS 15 Cb -0.16 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.29 1dt7 h HIS 15 CO -0.00 0.11 0.35 0.37 0.86 0.00 0.00 177.93 179.62 1dt7 h GLN 16 N 0.00 0.71 0.07 2.45 5.75 -0.90 -2.44 115.11 120.75 1dt7 h GLN 16 Ca -0.00 -0.04 -0.36 0.00 -0.15 0.00 0.00 58.65 58.09 1dt7 h GLN 16 Cb 0.56 -0.16 -0.04 0.00 1.07 0.00 0.00 27.48 28.91 1dt7 h GLN 16 CO 0.01 0.47 -2.09 0.66 -2.65 0.00 0.00 178.83 175.24 1dt7 n TYR 17 N -4.71 0.84 -0.38 3.99 4.02 -1.16 -3.78 117.16 115.99 1dt7 n TYR 17 Ca 0.03 0.20 -0.02 0.00 -0.01 0.00 0.00 57.90 58.11 1dt7 n TYR 17 Cb 0.02 -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 1.03 -1.01 0.00 0.00 176.86 176.88 1dt7 h SER 18 N 0.04 1.15 1.16 7.72 0.87 -1.41 -0.71 113.55 122.37 1dt7 h SER 18 Ca -0.45 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.09 1dt7 h SER 18 Cb 2.02 -0.29 0.00 0.00 -0.44 0.00 0.00 62.40 63.69 1dt7 h SER 18 CO 0.04 0.83 0.00 0.61 -0.53 0.00 0.00 176.83 177.78 1dt7 n GLY 19 N -1.38 -1.53 0.21 5.77 0.00 -0.92 -3.29 105.19 104.05 1dt7 n GLY 19 Ca 0.12 -0.04 -0.07 0.00 0.00 0.00 0.00 46.02 46.04 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 0.66 -6.17 1.61 2.43 -1.21 -3.43 114.38 108.27 1dt7 h ARG 20 Ca 0.00 -0.04 -0.56 0.00 -0.81 0.00 0.00 59.98 58.57 1dt7 h ARG 20 Cb 0.58 -0.15 -0.10 0.00 -0.42 0.00 0.00 29.97 29.88 1dt7 h ARG 20 CO 0.00 0.44 -0.64 -1.21 -1.51 0.00 0.00 179.97 177.05 1dt7 s GLU 21 N -6.15 2.22 0.30 0.20 2.02 -1.21 -4.97 118.70 111.10 1dt7 s GLU 21 Ca -0.13 -1.50 0.10 0.00 0.02 0.00 0.00 54.97 53.46 1dt7 s GLU 21 Cb 0.12 -2.10 0.56 0.00 0.10 0.00 0.00 34.13 32.81 1dt7 s GLU 21 CO 0.74 0.31 1.18 0.41 0.02 0.00 0.00 175.26 177.92 1dt7 n GLY 22 N -0.90 -0.54 2.63 -1.39 0.00 -1.26 -3.49 105.19 100.23 1dt7 n GLY 22 Ca -0.06 0.10 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.94 5.43 -0.11 1.61 8.00 -1.26 -4.57 116.55 123.71 1dt7 n ASP 23 Ca -0.01 -2.51 -0.13 0.00 0.71 0.00 0.00 54.79 52.85 1dt7 n ASP 23 Cb 0.37 -1.29 -0.02 0.00 -0.02 0.00 0.00 41.12 40.16 1dt7 n ASP 23 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1dt7 h LYS 24 N 6.19 0.94 -0.02 -1.24 1.57 -1.59 -3.15 116.57 119.27 1dt7 h LYS 24 Ca 0.60 -0.51 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1dt7 h LYS 24 Cb 0.34 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.67 1dt7 h LYS 24 CO 1.68 1.16 -0.00 0.72 -0.57 0.00 0.00 179.45 182.44 1dt7 n HIS 25 N -4.05 0.00 -4.08 -1.35 8.25 -1.26 -4.76 115.22 107.96 1dt7 n HIS 25 Ca -0.02 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.33 1dt7 n HIS 25 Cb 0.56 -0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.60 1dt7 n HIS 25 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 1dt7 s LYS 26 N -2.00 1.42 -0.04 -0.41 -2.85 -1.19 -4.08 119.74 110.58 1dt7 s LYS 26 Ca 0.35 -1.42 0.01 0.00 -1.00 0.00 0.00 55.97 53.91 1dt7 s LYS 26 Cb 0.21 0.39 0.02 0.00 -2.06 0.00 0.00 37.83 36.39 1dt7 s LYS 26 CO 0.33 -0.55 -0.04 -1.17 0.10 0.00 0.00 175.35 174.02 1dt7 s LEU 27 N -3.08 1.31 0.07 2.77 2.96 -0.61 -4.66 118.68 117.44 1dt7 s LEU 27 Ca 0.29 -0.12 -0.06 0.00 -0.22 0.00 0.00 54.13 54.02 1dt7 s LEU 27 Cb 0.02 -0.43 -0.05 0.00 0.50 0.00 0.00 46.19 46.23 1dt7 s LEU 27 CO 0.11 -0.06 0.33 -0.75 -1.32 0.00 0.00 176.35 174.66 1dt7 s LYS 28 N 0.94 3.63 0.62 1.98 2.20 -1.26 -0.87 119.74 126.97 1dt7 s LYS 28 Ca -0.11 -0.05 0.21 0.00 -0.36 0.00 0.00 55.97 55.66 1dt7 s LYS 28 Cb -0.14 -2.98 0.81 0.00 -1.51 0.00 0.00 37.83 34.01 1dt7 s LYS 28 CO -0.00 0.56 1.33 1.57 -0.36 0.00 0.00 175.35 178.45 1dt7 h LYS 29 N 3.45 0.00 0.00 4.03 2.10 -1.93 0.74 116.57 124.97 1dt7 h LYS 29 Ca -0.48 0.00 -0.00 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 32.51 1dt7 h LYS 29 CO 0.69 0.00 -0.00 0.77 -2.00 0.00 0.00 179.45 178.91 1dt7 h SER 30 N 0.00 -0.01 -0.23 7.07 0.02 -1.91 -2.43 113.55 116.06 1dt7 h SER 30 Ca 0.33 -0.71 -0.07 0.00 -0.84 0.00 0.00 61.79 60.49 1dt7 h SER 30 Cb 2.43 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 64.95 1dt7 h SER 30 CO -0.00 0.72 -0.08 -0.33 -1.14 0.00 0.00 176.83 175.99 1dt7 h GLU 31 N -0.73 0.60 -0.71 3.45 5.08 0.03 -2.61 114.58 119.68 1dt7 h GLU 31 Ca -0.00 -0.17 0.01 0.00 -1.00 0.00 0.00 59.36 58.20 1dt7 h GLU 31 Cb 0.72 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.87 1dt7 h GLU 31 CO 0.00 0.68 0.47 1.25 -1.00 0.00 0.00 179.01 180.41 1dt7 h LEU 32 N 0.56 0.82 -0.98 1.33 5.85 -1.02 -1.90 115.31 119.96 1dt7 h LEU 32 Ca 0.11 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.81 1dt7 h LEU 32 Cb 0.48 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.26 1dt7 h LEU 32 CO 0.03 0.59 0.64 0.50 -0.34 0.00 0.00 178.44 179.86 1dt7 h LYS 33 N 0.97 1.30 -0.03 1.25 3.64 -1.04 -1.13 116.57 121.53 1dt7 h LYS 33 Ca 0.26 -0.09 -0.11 0.00 -1.27 0.00 0.00 60.65 59.44 1dt7 h LYS 33 Cb -0.11 -0.29 -0.01 0.00 -0.41 0.00 0.00 32.23 31.41 1dt7 h LYS 33 CO -0.06 0.87 -0.49 0.93 -2.27 0.00 0.00 179.45 178.44 1dt7 h GLU 34 N 1.34 0.07 -0.28 1.90 5.08 -1.34 -1.35 114.58 119.99 1dt7 h GLU 34 Ca 0.36 -0.04 -0.12 0.00 -1.00 0.00 0.00 59.36 58.56 1dt7 h GLU 34 Cb -0.13 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.11 1dt7 h GLU 34 CO -0.08 0.54 -0.29 1.25 -1.00 0.00 0.00 179.01 179.43 1dt7 h LEU 35 N 0.05 0.75 -0.01 1.33 6.46 -0.57 -1.31 115.31 122.02 1dt7 h LEU 35 Ca -0.00 -0.48 -0.02 0.00 -0.12 0.00 0.00 57.88 57.27 1dt7 h LEU 35 Cb 0.89 -0.21 0.00 0.00 -0.73 0.00 0.00 40.66 40.61 1dt7 h LEU 35 CO 0.07 1.07 -0.06 0.40 -0.62 0.00 0.00 178.44 179.30 1dt7 h ILE 36 N 0.44 1.53 0.00 4.05 2.04 -1.05 -2.19 117.51 122.34 1dt7 h ILE 36 Ca 0.04 -1.65 -0.11 0.00 1.00 0.00 0.00 64.86 64.15 1dt7 h ILE 36 Cb 0.87 2.60 -0.02 0.00 -0.74 0.00 0.00 36.82 39.53 1dt7 h ILE 36 CO 0.07 0.44 -0.86 -0.55 0.00 0.00 0.00 178.15 177.25 1dt7 h ASN 37 N -0.59 0.00 0.14 1.72 7.08 -1.35 -2.82 115.58 119.76 1dt7 h ASN 37 Ca -0.00 0.00 -0.36 0.00 -3.08 0.00 0.00 56.30 52.86 1dt7 h ASN 37 Cb 0.75 0.00 -0.05 0.00 -2.08 0.00 0.00 38.32 36.94 1dt7 h ASN 37 CO 0.01 0.44 -2.15 0.59 -2.08 0.00 0.00 177.43 174.25 1dt7 n ASN 38 N -3.04 1.37 0.09 6.14 5.03 -0.50 -2.60 115.26 121.75 1dt7 n ASN 38 Ca -0.02 0.11 0.12 0.00 0.87 0.00 0.00 54.58 55.66 1dt7 n ASN 38 Cb 0.74 -0.17 0.09 0.00 -1.02 0.00 0.00 39.78 39.42 1dt7 n ASN 38 CO 0.00 0.00 0.00 -0.08 -1.83 0.00 0.00 177.26 175.35 1dt7 h GLU 39 N 0.02 0.00 -0.46 3.52 4.57 -1.38 -3.34 114.58 117.51 1dt7 h GLU 39 Ca -0.46 0.00 -0.33 0.00 -1.18 0.00 0.00 59.36 57.39 1dt7 h GLU 39 Cb 2.04 0.00 -0.36 0.00 -0.16 0.00 0.00 28.75 30.27 1dt7 h GLU 39 CO 0.03 0.00 -0.91 1.28 -1.18 0.00 0.00 179.01 178.23 1dt7 n LEU 40 N -2.39 3.04 0.05 1.64 4.77 -1.06 -4.86 117.00 118.20 1dt7 n LEU 40 Ca 0.02 -3.74 -0.12 0.00 -0.03 0.00 0.00 56.01 52.14 1dt7 n LEU 40 Cb 0.49 -0.04 -0.07 0.00 -2.33 0.00 0.00 43.42 41.47 1dt7 n LEU 40 CO 0.38 1.47 0.86 -1.28 -1.33 0.00 0.00 177.39 177.49 1dt7 h SER 41 N 2.05 -0.03 0.03 -1.43 0.87 -1.63 -2.27 113.55 111.13 1dt7 h SER 41 Ca 0.08 0.00 -0.37 0.00 -1.23 0.00 0.00 61.79 60.27 1dt7 h SER 41 Cb 1.42 0.01 -0.07 0.00 -0.44 0.00 0.00 62.40 63.32 1dt7 h SER 41 CO 0.39 -0.02 -2.37 1.41 -0.53 0.00 0.00 176.83 175.71 1dt7 n HIS 42 N -5.11 0.07 0.01 2.24 8.25 -1.26 -4.05 115.22 115.37 1dt7 n HIS 42 Ca -0.07 0.02 -0.03 0.00 -0.26 0.00 0.00 57.72 57.38 1dt7 n HIS 42 Cb 0.04 -1.01 0.21 0.00 1.12 0.00 0.00 29.99 30.35 1dt7 n HIS 42 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 1dt7 h PHE 43 N 0.00 0.55 -3.71 4.41 3.57 -1.89 -3.45 116.94 116.42 1dt7 h PHE 43 Ca -0.54 -0.11 -0.25 0.00 3.53 0.00 0.00 57.97 60.60 1dt7 h PHE 43 Cb 2.17 -0.14 -0.15 0.00 2.79 0.00 0.00 35.95 40.62 1dt7 h PHE 43 CO 0.01 0.69 -0.70 -1.17 -2.23 0.00 0.00 178.31 174.90 1dt7 s LEU 44 N -8.72 2.52 -0.19 0.59 2.96 -0.85 -5.07 118.68 109.91 1dt7 s LEU 44 Ca -0.07 -1.01 -0.29 0.00 -0.22 0.00 0.00 54.13 52.55 1dt7 s LEU 44 Cb 0.14 -0.14 -0.06 0.00 0.50 0.00 0.00 46.19 46.63 1dt7 s LEU 44 CO 0.79 -0.43 2.19 1.21 -1.32 0.00 0.00 176.35 178.79 1dt7 n GLU 45 N -0.08 2.03 -1.42 1.98 4.07 -1.26 -4.40 120.64 121.56 1dt7 n GLU 45 Ca -0.12 0.59 -0.33 0.00 -0.06 0.00 0.00 57.16 57.24 1dt7 n GLU 45 Cb 0.61 -3.18 0.09 0.00 -0.06 0.00 0.00 31.44 28.90 1dt7 n GLU 45 CO 0.00 0.00 0.00 -1.83 -0.06 0.00 0.00 177.13 175.24 1dt7 s GLU 46 N 6.12 2.18 0.24 5.31 -1.05 -1.26 -4.91 118.70 125.34 1dt7 s GLU 46 Ca 1.00 1.60 -0.30 0.00 -0.15 0.00 0.00 54.97 57.12 1dt7 s GLU 46 Cb -0.37 -1.85 -0.09 0.00 -0.44 0.00 0.00 34.13 31.37 1dt7 s GLU 46 CO 0.37 -1.77 0.95 0.42 0.95 0.00 0.00 175.26 176.17 1dt7 s ILE 47 N -2.21 4.05 -0.03 1.83 -1.09 -1.26 -4.94 121.20 117.54 1dt7 s ILE 47 Ca 0.71 2.07 0.17 0.00 -2.23 0.00 0.00 60.65 61.37 1dt7 s ILE 47 Cb -0.25 -4.31 -0.27 0.00 -1.58 0.00 0.00 42.46 36.05 1dt7 s ILE 47 CO 0.46 0.49 0.36 0.29 -1.23 0.00 0.00 174.94 175.32 1dt7 n LYS 48 N 1.47 0.58 -3.88 2.79 4.01 -1.26 -4.91 118.16 116.95 1dt7 n LYS 48 Ca -0.02 -0.15 -0.12 0.00 -0.51 0.00 0.00 58.31 57.51 1dt7 n LYS 48 Cb 0.47 -1.41 -0.14 0.00 -0.51 0.00 0.00 35.03 33.43 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 -3.15 0.02 0.56 1.97 2.56 -1.26 -5.03 118.70 114.37 1dt7 s GLU 49 Ca -0.06 -0.00 0.33 0.00 0.00 0.00 0.00 54.97 55.23 1dt7 s GLU 49 Cb 0.11 -0.04 1.64 0.00 2.00 0.00 0.00 34.13 37.84 1dt7 s GLU 49 CO 0.72 -0.00 2.11 -0.56 -0.56 0.00 0.00 175.26 176.97 1dt7 h GLN 50 N 6.21 0.00 -0.90 4.30 -0.00 -2.01 -2.69 115.11 120.01 1dt7 h GLN 50 Ca -0.25 0.00 0.01 0.00 -0.00 0.00 0.00 58.65 58.41 1dt7 h GLN 50 Cb 1.20 0.00 -0.04 0.00 -0.00 0.00 0.00 27.48 28.64 1dt7 h GLN 50 CO 0.51 0.07 0.60 1.05 -0.00 0.00 0.00 178.83 181.05 1dt7 h GLU 51 N 0.00 1.18 -1.00 0.06 4.11 -2.00 -1.00 114.58 115.94 1dt7 h GLU 51 Ca -0.00 -0.07 0.01 0.00 0.07 0.00 0.00 59.36 59.37 1dt7 h GLU 51 Cb 0.31 -0.27 -0.05 0.00 0.50 0.00 0.00 28.75 29.25 1dt7 h GLU 51 CO 0.01 0.78 0.65 0.28 0.07 0.00 0.00 179.01 180.80 1dt7 h VAL 52 N 1.22 1.26 -0.98 -1.06 2.07 -1.91 -0.81 116.25 116.04 1dt7 h VAL 52 Ca 0.33 -0.49 0.00 0.00 0.82 0.00 0.00 66.70 67.37 1dt7 h VAL 52 Cb -0.14 -0.20 -0.05 0.00 -1.52 0.00 0.00 31.29 29.38 1dt7 h VAL 52 CO -0.07 0.25 0.62 0.58 0.02 0.00 0.00 177.57 178.97 1dt7 h VAL 53 N 1.36 1.26 -0.87 2.57 2.07 -1.31 -0.94 116.25 120.39 1dt7 h VAL 53 Ca 0.36 -0.52 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 1dt7 h VAL 53 Cb -0.14 -0.16 -0.04 0.00 -1.52 0.00 0.00 31.29 29.43 1dt7 h VAL 53 CO -0.08 0.26 0.50 -0.78 0.02 0.00 0.00 177.57 177.49 1dt7 h ASP 54 N 1.34 1.07 -0.88 0.57 1.82 -0.55 0.38 116.42 120.18 1dt7 h ASP 54 Ca 0.36 -0.08 -0.00 0.00 -0.39 0.00 0.00 57.03 56.91 1dt7 h ASP 54 Cb -0.11 -0.27 -0.04 0.00 0.68 0.00 0.00 39.33 39.59 1dt7 h ASP 54 CO -0.07 0.85 0.53 0.50 -1.61 0.00 0.00 179.24 179.44 1dt7 h LYS 55 N 1.21 1.19 -0.06 0.28 1.63 -0.31 -0.05 116.57 120.46 1dt7 h LYS 55 Ca 0.31 -0.11 -0.09 0.00 -0.85 0.00 0.00 60.65 59.91 1dt7 h LYS 55 Cb -0.00 -0.25 -0.01 0.00 -0.60 0.00 0.00 32.23 31.36 1dt7 h LYS 55 CO -0.05 0.83 -0.39 0.28 -3.45 0.00 0.00 179.45 176.66 1dt7 h VAL 56 N 1.20 1.29 -0.00 2.00 2.07 -0.37 -2.39 116.25 120.06 1dt7 h VAL 56 Ca 0.31 -1.42 -0.10 0.00 0.82 0.00 0.00 66.70 66.31 1dt7 h VAL 56 Cb -0.06 1.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 1dt7 h VAL 56 CO -0.06 0.42 -0.49 0.24 0.02 0.00 0.00 177.57 177.69 1dt7 h MET 57 N 0.10 0.01 -1.01 1.57 2.86 0.85 1.06 114.93 120.38 1dt7 h MET 57 Ca 0.01 -0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.67 1dt7 h MET 57 Cb 0.74 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.35 1dt7 h MET 57 CO 0.06 0.50 0.66 1.49 1.06 0.00 0.00 176.91 180.68 1dt7 h GLU 58 N 0.01 1.28 0.21 1.72 4.81 -0.69 2.88 114.58 124.79 1dt7 h GLU 58 Ca -0.00 -0.08 -0.35 0.00 -0.13 0.00 0.00 59.36 58.80 1dt7 h GLU 58 Cb 0.88 -0.29 0.02 0.00 0.63 0.00 0.00 28.75 29.99 1dt7 h GLU 58 CO 0.06 0.85 -1.69 1.15 -0.73 0.00 0.00 179.01 178.65 1dt7 h THR 59 N 1.32 1.02 0.00 0.32 2.02 -1.40 -3.36 112.91 112.83 1dt7 h THR 59 Ca 0.39 -2.56 0.00 0.00 0.77 0.00 0.00 66.41 65.01 1dt7 h THR 59 Cb -0.07 2.83 0.00 0.00 -1.74 0.00 0.00 68.15 69.17 1dt7 h THR 59 CO -0.10 0.85 -0.65 0.25 0.37 0.00 0.00 175.52 176.23 1dt7 h LEU 60 N 0.12 0.00 -5.66 2.58 5.85 0.15 -3.37 115.31 114.97 1dt7 h LEU 60 Ca -0.33 -0.03 -0.70 0.00 0.84 0.00 0.00 57.88 57.66 1dt7 h LEU 60 Cb 2.12 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 43.13 1dt7 h LEU 60 CO 0.20 0.02 3.32 -0.67 -0.34 0.00 0.00 178.44 180.97 1dt7 n ASP 61 N -2.68 5.74 -0.35 1.25 2.03 0.96 -4.62 116.55 118.87 1dt7 n ASP 61 Ca 0.02 -2.77 0.03 0.00 0.52 0.00 0.00 54.79 52.59 1dt7 n ASP 61 Cb 0.52 -1.61 0.20 0.00 -0.72 0.00 0.00 41.12 39.51 1dt7 n ASP 61 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1dt7 h GLU 62 N 5.61 1.10 0.00 -0.67 5.08 -1.80 0.31 114.58 124.21 1dt7 h GLU 62 Ca 0.67 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.97 1dt7 h GLU 62 Cb 0.51 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1dt7 h GLU 62 CO 1.83 0.73 0.00 -0.44 -1.00 0.00 0.00 179.01 180.13 1dt7 h ASP 63 N 1.13 0.00 -2.25 1.42 3.32 -1.86 -3.46 116.42 114.72 1dt7 h ASP 63 Ca 0.42 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 57.21 1dt7 h ASP 63 Cb 0.17 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.72 1dt7 h ASP 63 CO -0.16 0.00 -0.35 0.61 -1.72 0.00 0.00 179.24 177.62 1dt7 n GLY 64 N 0.75 -0.13 0.90 2.75 0.00 0.11 -4.89 105.19 104.67 1dt7 n GLY 64 Ca 0.04 -0.29 0.08 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.64 3.14 0.00 1.61 5.75 -1.26 -4.92 116.55 120.23 1dt7 n ASP 65 Ca -0.12 -1.92 0.00 0.00 -0.01 0.00 0.00 54.79 52.74 1dt7 n ASP 65 Cb 0.60 -0.26 0.00 0.00 -1.03 0.00 0.00 41.12 40.44 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 1.02 0.89 2.86 6.12 0.00 -1.26 -4.98 105.19 109.83 1dt7 n GLY 66 Ca 0.16 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.01 0.05 -0.19 1.61 2.02 -1.26 -3.11 118.70 117.81 1dt7 s GLU 67 Ca 0.00 0.02 -0.10 0.00 0.02 0.00 0.00 54.97 54.91 1dt7 s GLU 67 Cb 0.00 -0.11 -0.05 0.00 0.10 0.00 0.00 34.13 34.07 1dt7 s GLU 67 CO 0.00 -0.03 0.15 0.00 0.02 0.00 0.00 175.26 175.40 1dt7 s ASP 69 N 0.31 3.23 0.27 0.00 -1.08 -1.26 -1.57 116.67 116.57 1dt7 s ASP 69 Ca 0.09 0.89 -0.02 0.00 -0.52 0.00 0.00 52.55 52.99 1dt7 s ASP 69 Cb -0.11 -1.39 0.44 0.00 -1.46 0.00 0.00 42.92 40.40 1dt7 s ASP 69 CO -0.01 -2.72 1.87 0.15 0.52 0.00 0.00 175.17 174.98 1dt7 h PHE 70 N -1.61 1.19 -0.55 -5.34 3.57 -1.92 -0.86 116.94 111.42 1dt7 h PHE 70 Ca -0.50 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 60.92 1dt7 h PHE 70 Cb 1.32 -0.39 -0.02 0.00 2.79 0.00 0.00 35.95 39.65 1dt7 h PHE 70 CO -0.03 0.59 -0.10 -0.56 -2.23 0.00 0.00 178.31 175.98 1dt7 h GLN 71 N 1.14 1.03 -0.56 1.11 3.07 -1.93 -2.28 115.11 116.70 1dt7 h GLN 71 Ca 0.45 -0.38 -0.05 0.00 0.09 0.00 0.00 58.65 58.76 1dt7 h GLN 71 Cb 0.23 -0.07 -0.02 0.00 0.08 0.00 0.00 27.48 27.70 1dt7 h GLN 71 CO -0.19 1.07 0.18 0.93 0.09 0.00 0.00 178.83 180.90 1dt7 h GLU 72 N 0.92 0.87 -0.52 0.06 5.08 -1.60 -2.56 114.58 116.83 1dt7 h GLU 72 Ca 0.14 -0.19 -0.04 0.00 -1.00 0.00 0.00 59.36 58.28 1dt7 h GLU 72 Cb 0.67 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 1dt7 h GLU 72 CO 0.05 0.79 0.17 0.35 -1.00 0.00 0.00 179.01 179.37 1dt7 h PHE 73 N 0.79 0.78 -0.78 4.33 3.57 -1.08 -2.54 116.94 122.00 1dt7 h PHE 73 Ca 0.18 -0.05 0.01 0.00 3.53 0.00 0.00 57.97 61.64 1dt7 h PHE 73 Cb 0.28 -0.23 -0.04 0.00 2.79 0.00 0.00 35.95 38.75 1dt7 h PHE 73 CO 0.02 0.63 0.52 0.52 -2.23 0.00 0.00 178.31 177.77 1dt7 h MET 74 N 0.75 1.03 -0.13 1.11 2.86 -0.99 -2.31 114.93 117.25 1dt7 h MET 74 Ca 0.17 -0.06 -0.11 0.00 -2.06 0.00 0.00 59.70 57.64 1dt7 h MET 74 Cb 0.22 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 31.63 1dt7 h MET 74 CO -0.01 0.68 -0.42 0.00 1.06 0.00 0.00 176.91 178.22 1dt7 h ALA 75 N 1.51 1.04 -0.77 6.32 0.00 -1.31 -2.98 119.26 123.06 1dt7 h ALA 75 Ca 0.29 -0.43 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1dt7 h ALA 75 Cb -0.12 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 1dt7 h ALA 75 CO -0.06 0.61 0.37 0.35 0.00 0.00 0.00 179.25 180.52 1dt7 h PHE 76 N 0.25 1.09 -1.00 0.00 3.57 -1.37 -2.45 116.94 117.03 1dt7 h PHE 76 Ca 0.02 -0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.48 1dt7 h PHE 76 Cb 0.85 -0.34 -0.05 0.00 2.79 0.00 0.00 35.95 39.20 1dt7 h PHE 76 CO 0.02 0.79 0.65 0.28 -2.23 0.00 0.00 178.31 177.82 1dt7 h VAL 77 N 1.09 1.26 -0.74 1.41 2.07 -1.43 -2.29 116.25 117.62 1dt7 h VAL 77 Ca 0.27 -0.48 -0.06 0.00 0.82 0.00 0.00 66.70 67.24 1dt7 h VAL 77 Cb 0.10 -0.21 -0.03 0.00 -1.52 0.00 0.00 31.29 29.63 1dt7 h VAL 77 CO -0.04 0.25 0.23 0.77 0.02 0.00 0.00 177.57 178.81 1dt7 h SER 78 N 1.36 1.08 -0.09 0.57 4.64 -1.43 -2.25 113.55 117.43 1dt7 h SER 78 Ca 0.37 -0.21 -0.23 0.00 -0.47 0.00 0.00 61.79 61.25 1dt7 h SER 78 Cb -0.14 -0.28 0.01 0.00 -0.31 0.00 0.00 62.40 61.68 1dt7 h SER 78 CO -0.08 1.00 -0.82 0.24 -0.87 0.00 0.00 176.83 176.30 1dt7 h MET 79 N 1.10 0.72 -0.89 4.77 2.07 -1.39 -2.93 114.93 118.38 1dt7 h MET 79 Ca 0.24 -0.65 -0.02 0.00 -2.07 0.00 0.00 59.70 57.20 1dt7 h MET 79 Cb 0.30 0.16 -0.04 0.00 -1.87 0.00 0.00 31.60 30.15 1dt7 h MET 79 CO -0.01 1.25 0.50 0.28 1.07 0.00 0.00 176.91 180.00 1dt7 h VAL 80 N 0.41 1.26 -1.00 -2.22 2.07 -1.36 -1.59 116.25 113.81 1dt7 h VAL 80 Ca -0.08 -0.62 0.01 0.00 0.82 0.00 0.00 66.70 66.83 1dt7 h VAL 80 Cb 1.47 0.04 -0.05 0.00 -1.52 0.00 0.00 31.29 31.23 1dt7 h VAL 80 CO 0.17 0.29 0.67 0.74 0.02 0.00 0.00 177.57 179.45 1dt7 h THR 81 N 1.25 1.26 -0.92 2.57 2.02 -1.41 -0.51 112.91 117.17 1dt7 h THR 81 Ca 0.32 -0.47 0.16 0.00 0.77 0.00 0.00 66.41 67.19 1dt7 h THR 81 Cb 0.01 -0.22 -0.08 0.00 -1.74 0.00 0.00 68.15 66.12 1dt7 h THR 81 CO -0.05 0.25 0.59 0.74 0.37 0.00 0.00 175.52 177.42 1dt7 h THR 82 N 1.36 0.78 -0.76 3.16 2.02 -1.10 0.55 112.91 118.93 1dt7 h THR 82 Ca 0.37 -0.23 -0.03 0.00 0.77 0.00 0.00 66.41 67.29 1dt7 h THR 82 Cb -0.16 0.06 -0.04 0.00 -1.74 0.00 0.00 68.15 66.28 1dt7 h THR 82 CO -0.08 0.12 0.35 0.00 0.37 0.00 0.00 175.52 176.28 1dt7 h ALA 83 N 1.60 1.19 -0.81 6.16 0.00 -0.96 -2.24 119.26 124.21 1dt7 h ALA 83 Ca 0.48 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.24 1dt7 h ALA 83 Cb 0.83 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 1dt7 h ALA 83 CO -0.23 0.61 0.54 0.00 0.00 0.00 0.00 179.25 180.16 1dt7 h HIS 85 N 1.09 1.16 -0.91 0.00 6.17 -0.86 1.63 115.15 123.44 1dt7 h HIS 85 Ca 0.30 0.03 -0.01 0.00 0.71 0.00 0.00 60.37 61.39 1dt7 h HIS 85 Cb -0.13 -0.39 -0.04 0.00 2.52 0.00 0.00 27.41 29.37 1dt7 h HIS 85 CO -0.00 0.72 0.52 0.93 0.71 0.00 0.00 177.93 180.81 1dt7 h GLU 86 N 1.24 1.25 0.00 5.26 5.08 -1.28 -1.92 114.58 124.22 1dt7 h GLU 86 Ca 0.34 -0.13 -0.08 0.00 -1.00 0.00 0.00 59.36 58.49 1dt7 h GLU 86 Cb -0.13 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 28.85 1dt7 h GLU 86 CO -0.08 0.90 -0.43 0.35 -1.00 0.00 0.00 179.01 178.75 1dt7 h PHE 87 N 1.26 0.00 -0.41 4.33 3.04 -0.47 -3.15 116.94 121.54 1dt7 h PHE 87 Ca 0.32 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.27 1dt7 h PHE 87 Cb -0.00 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.51 1dt7 h PHE 87 CO 0.01 0.38 0.00 0.34 -2.02 0.00 0.00 178.31 177.02 1dt7 n PHE 88 N -3.17 1.42 0.00 0.41 -0.00 0.54 -4.12 117.46 112.54 1dt7 n PHE 88 Ca 0.02 -0.50 0.00 0.00 -0.00 0.00 0.00 57.45 56.97 1dt7 n PHE 88 Cb 0.69 -0.37 0.00 0.00 -0.00 0.00 0.00 39.48 39.80 1dt7 n PHE 88 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.76 174.85 1dt7 n GLU 89 N 0.46 0.00 -0.07 -4.13 2.13 -0.79 -4.87 120.64 113.38 1dt7 n GLU 89 Ca 0.19 0.00 -0.16 0.00 0.66 0.00 0.00 57.16 57.86 1dt7 n GLU 89 Cb 0.89 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 32.55 1dt7 n GLU 89 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1dt7 h HIS 90 N 0.00 1.09 -0.01 4.31 3.86 -1.84 -3.52 115.15 119.04 1dt7 h HIS 90 Ca 0.00 -0.41 0.00 0.00 -1.16 0.00 0.00 60.37 58.80 1dt7 h HIS 90 Cb 0.00 -0.20 0.00 0.00 1.06 0.00 0.00 27.41 28.27 1dt7 h HIS 90 CO 0.00 1.24 0.00 -1.91 0.86 0.00 0.00 177.93 178.12