#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dt7 n SER 1 N 0.00 -2.77 -0.47 6.12 2.88 -1.26 -4.68 113.62 113.44 1dt7 n SER 1 Ca 0.00 0.17 0.00 0.00 -1.33 0.00 0.00 58.87 57.71 1dt7 n SER 1 Cb 0.00 -2.42 0.00 0.00 -0.75 0.00 0.00 64.21 61.04 1dt7 n SER 1 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1dt7 n GLU 2 N -0.99 0.73 -0.13 -1.46 0.28 -1.26 -3.78 120.64 114.04 1dt7 n GLU 2 Ca -0.07 0.00 0.02 0.00 -0.16 0.00 0.00 57.16 56.95 1dt7 n GLU 2 Cb 0.31 -1.34 0.31 0.00 1.43 0.00 0.00 31.44 32.15 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 0.25 0.71 -1.16 -1.84 5.85 -2.01 -1.47 115.31 115.64 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 0.34 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.15 1dt7 h LEU 3 CO 0.00 0.52 0.57 1.05 -0.34 0.00 0.00 178.44 180.23 1dt7 h GLU 4 N 0.84 1.13 -0.76 1.25 4.11 -1.97 -1.75 114.58 117.43 1dt7 h GLU 4 Ca 0.23 -0.07 -0.06 0.00 0.07 0.00 0.00 59.36 59.53 1dt7 h GLU 4 Cb -0.10 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 28.87 1dt7 h GLU 4 CO -0.05 0.75 0.25 -0.22 0.07 0.00 0.00 179.01 179.81 1dt7 h LYS 5 N 1.16 1.17 -0.50 1.06 3.64 -1.58 -2.51 116.57 119.02 1dt7 h LYS 5 Ca 0.31 -0.25 -0.13 0.00 -1.27 0.00 0.00 60.65 59.32 1dt7 h LYS 5 Cb -0.14 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.50 1dt7 h LYS 5 CO -0.07 0.99 -0.19 0.00 -2.27 0.00 0.00 179.45 177.91 1dt7 h ALA 6 N 1.13 0.70 -0.86 5.00 0.00 -1.11 -2.21 119.26 121.91 1dt7 h ALA 6 Ca 0.25 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1dt7 h ALA 6 Cb 0.30 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1dt7 h ALA 6 CO -0.01 0.68 0.41 0.52 0.00 0.00 0.00 179.25 180.84 1dt7 h MET 7 N 0.88 1.23 -0.66 0.00 2.86 -1.16 -2.26 114.93 115.82 1dt7 h MET 7 Ca 0.12 -0.18 -0.09 0.00 -2.06 0.00 0.00 59.70 57.49 1dt7 h MET 7 Cb 0.77 -0.22 -0.03 0.00 0.06 0.00 0.00 31.60 32.19 1dt7 h MET 7 CO 0.06 0.95 0.08 0.28 1.06 0.00 0.00 176.91 179.34 1dt7 h VAL 8 N 1.22 1.27 -0.80 -2.22 2.07 -1.31 -3.01 116.25 113.46 1dt7 h VAL 8 Ca 0.29 -1.08 -0.05 0.00 0.82 0.00 0.00 66.70 66.69 1dt7 h VAL 8 Cb 0.12 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 30.53 1dt7 h VAL 8 CO -0.04 0.40 0.32 0.00 0.02 0.00 0.00 177.57 178.28 1dt7 h ALA 9 N 1.04 1.05 -1.00 1.67 0.00 -0.85 -2.09 119.26 119.08 1dt7 h ALA 9 Ca 0.20 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1dt7 h ALA 9 Cb 0.48 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 1dt7 h ALA 9 CO 0.02 0.67 0.66 -0.07 0.00 0.00 0.00 179.25 180.53 1dt7 h LEU 10 N 1.17 1.14 -0.62 0.00 4.07 -1.30 -2.27 115.31 117.50 1dt7 h LEU 10 Ca 0.27 -0.03 -0.12 0.00 0.08 0.00 0.00 57.88 58.08 1dt7 h LEU 10 Cb 0.22 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 41.66 1dt7 h LEU 10 CO -0.02 0.83 -0.26 0.40 -1.08 0.00 0.00 178.44 178.31 1dt7 h ILE 11 N 1.35 1.27 -0.46 1.22 2.04 -1.41 -2.61 117.51 118.92 1dt7 h ILE 11 Ca 0.37 -1.39 -0.14 0.00 1.00 0.00 0.00 64.86 64.70 1dt7 h ILE 11 Cb -0.15 1.24 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 1dt7 h ILE 11 CO -0.08 0.47 -0.26 0.44 0.00 0.00 0.00 178.15 178.71 1dt7 h ASP 12 N 0.70 1.03 -0.31 1.72 3.32 -0.84 -2.92 116.42 119.12 1dt7 h ASP 12 Ca 0.09 -0.41 -0.17 0.00 0.02 0.00 0.00 57.03 56.56 1dt7 h ASP 12 Cb 0.79 -0.29 -0.00 0.00 0.22 0.00 0.00 39.33 40.05 1dt7 h ASP 12 CO 0.07 1.22 -0.44 1.62 -1.72 0.00 0.00 179.24 179.98 1dt7 h VAL 13 N 0.84 1.28 -0.79 -1.35 3.04 -1.45 -2.96 116.25 114.86 1dt7 h VAL 13 Ca 0.10 -1.62 0.03 0.00 -1.01 0.00 0.00 66.70 64.20 1dt7 h VAL 13 Cb 0.85 1.48 -0.04 0.00 -2.01 0.00 0.00 31.29 31.56 1dt7 h VAL 13 CO 0.08 0.53 0.52 0.15 -1.01 0.00 0.00 177.57 177.84 1dt7 h PHE 14 N 0.70 0.95 0.00 3.17 3.04 -1.44 -1.01 116.94 122.35 1dt7 h PHE 14 Ca 0.04 0.02 -0.07 0.00 3.98 0.00 0.00 57.97 61.95 1dt7 h PHE 14 Cb 1.03 -0.32 -0.01 0.00 2.56 0.00 0.00 35.95 39.21 1dt7 h PHE 14 CO 0.06 0.57 -0.32 1.25 -2.02 0.00 0.00 178.31 177.85 1dt7 h HIS 15 N 1.00 0.00 -0.71 0.41 2.76 -1.35 -1.64 115.15 115.61 1dt7 h HIS 15 Ca 0.31 0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.48 1dt7 h HIS 15 Cb -0.00 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 28.92 1dt7 h HIS 15 CO -0.00 0.32 0.47 1.96 -1.30 0.00 0.00 177.93 179.38 1dt7 h GLN 16 N 0.00 0.94 0.10 5.26 1.08 -1.08 -2.50 115.11 118.91 1dt7 h GLN 16 Ca -0.00 -0.06 -0.37 0.00 -1.45 0.00 0.00 58.65 56.77 1dt7 h GLN 16 Cb 0.70 -0.21 -0.03 0.00 -0.05 0.00 0.00 27.48 27.89 1dt7 h GLN 16 CO 0.04 0.63 -2.05 0.66 -0.95 0.00 0.00 178.83 177.15 1dt7 n TYR 17 N -4.59 1.07 -0.37 2.96 4.02 -1.17 -4.23 117.16 114.85 1dt7 n TYR 17 Ca 0.06 0.23 -0.02 0.00 -0.01 0.00 0.00 57.90 58.16 1dt7 n TYR 17 Cb 0.02 -1.14 0.11 0.00 -0.02 0.00 0.00 39.34 38.31 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 0.03 1.14 0.46 7.72 0.87 -1.35 -1.17 113.55 121.26 1dt7 h SER 18 Ca -0.45 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.08 1dt7 h SER 18 Cb 1.99 -0.29 0.00 0.00 -0.44 0.00 0.00 62.40 63.67 1dt7 h SER 18 CO 0.05 0.83 0.00 0.61 -0.53 0.00 0.00 176.83 177.80 1dt7 n GLY 19 N -1.36 -0.96 0.20 5.77 0.00 -0.94 -2.95 105.19 104.95 1dt7 n GLY 19 Ca 0.12 -0.06 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 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 -6.48 1.61 2.43 -1.38 -3.45 114.38 107.77 1dt7 h ARG 20 Ca 0.00 -0.34 -0.64 0.00 -0.81 0.00 0.00 59.98 58.19 1dt7 h ARG 20 Cb 0.23 0.01 -0.15 0.00 -0.42 0.00 0.00 29.97 29.64 1dt7 h ARG 20 CO 0.00 0.95 -0.73 -2.00 -1.51 0.00 0.00 179.97 176.68 1dt7 s GLU 21 N -4.38 2.09 0.63 0.20 2.12 -1.15 -4.97 118.70 113.24 1dt7 s GLU 21 Ca -0.13 -1.18 0.04 0.00 0.36 0.00 0.00 54.97 54.06 1dt7 s GLU 21 Cb 0.08 -2.21 0.20 0.00 0.26 0.00 0.00 34.13 32.46 1dt7 s GLU 21 CO 0.82 0.46 1.09 0.78 -0.54 0.00 0.00 175.26 177.87 1dt7 h GLY 22 N 3.14 0.00 -5.14 -1.50 0.00 -1.87 -3.02 103.07 94.68 1dt7 h GLY 22 Ca -0.48 0.00 -0.42 0.00 0.00 0.00 0.00 47.33 46.43 1dt7 h GLY 22 CO 0.53 0.00 2.54 1.22 0.00 0.00 0.00 176.54 180.84 1dt7 n ASP 23 N -2.48 5.83 -0.32 0.19 8.00 -1.26 -4.54 116.55 121.97 1dt7 n ASP 23 Ca -0.00 -2.37 -0.04 0.00 0.71 0.00 0.00 54.79 53.09 1dt7 n ASP 23 Cb 0.90 -1.21 0.08 0.00 -0.02 0.00 0.00 41.12 40.87 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 5.57 1.19 -0.03 -1.24 1.57 -1.58 -2.57 116.57 119.48 1dt7 h LYS 24 Ca 0.55 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 59.21 1dt7 h LYS 24 Cb 0.33 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 32.40 1dt7 h LYS 24 CO 1.37 0.84 0.00 0.72 -0.57 0.00 0.00 179.45 181.81 1dt7 n HIS 25 N -4.40 0.00 -4.16 -1.35 8.25 -1.26 -4.68 115.22 107.61 1dt7 n HIS 25 Ca 0.09 -0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.44 1dt7 n HIS 25 Cb 0.06 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.08 1dt7 n HIS 25 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1dt7 s LYS 26 N -2.00 1.18 -0.01 -0.41 1.02 -0.97 -3.60 119.74 114.96 1dt7 s LYS 26 Ca 0.29 -1.55 0.01 0.00 0.02 0.00 0.00 55.97 54.75 1dt7 s LYS 26 Cb 0.20 0.29 0.00 0.00 -0.52 0.00 0.00 37.83 37.80 1dt7 s LYS 26 CO 0.30 -0.39 -0.05 -0.51 -0.92 0.00 0.00 175.35 173.78 1dt7 s LEU 27 N -3.12 1.82 0.12 3.17 1.43 -0.59 -4.52 118.68 116.99 1dt7 s LEU 27 Ca 0.34 -0.09 0.02 0.00 -1.03 0.00 0.00 54.13 53.37 1dt7 s LEU 27 Cb 0.06 -0.30 -0.04 0.00 0.03 0.00 0.00 46.19 45.95 1dt7 s LEU 27 CO 0.10 0.03 0.25 -0.54 0.23 0.00 0.00 176.35 176.42 1dt7 s LYS 28 N 0.15 3.41 0.62 1.70 -0.14 -1.26 -1.04 119.74 123.19 1dt7 s LYS 28 Ca -0.01 -0.57 0.24 0.00 -1.36 0.00 0.00 55.97 54.27 1dt7 s LYS 28 Cb -0.05 -2.97 1.12 0.00 -1.68 0.00 0.00 37.83 34.25 1dt7 s LYS 28 CO -0.00 0.55 1.59 1.57 -0.76 0.00 0.00 175.35 178.30 1dt7 h LYS 29 N 2.43 0.00 0.15 1.68 2.10 -1.90 0.29 116.57 121.33 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 0.70 0.00 -0.07 1.03 -2.00 0.00 0.00 179.45 179.11 1dt7 h SER 30 N 0.00 -0.17 0.45 7.07 0.87 -1.91 -2.38 113.55 117.48 1dt7 h SER 30 Ca 0.21 -0.34 -0.09 0.00 -1.23 0.00 0.00 61.79 60.34 1dt7 h SER 30 Cb 1.67 0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 63.66 1dt7 h SER 30 CO -0.00 0.42 -0.41 -0.08 -0.53 0.00 0.00 176.83 176.22 1dt7 h GLU 31 N -0.92 0.00 -0.87 2.24 4.81 -1.30 -2.40 114.58 116.14 1dt7 h GLU 31 Ca -0.02 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.19 1dt7 h GLU 31 Cb 0.50 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.84 1dt7 h GLU 31 CO 0.03 0.41 0.47 1.25 -0.73 0.00 0.00 179.01 180.44 1dt7 h LEU 32 N 0.00 1.10 -0.99 1.64 6.46 -0.58 -2.32 115.31 120.62 1dt7 h LEU 32 Ca -0.00 -0.11 0.00 0.00 -0.12 0.00 0.00 57.88 57.65 1dt7 h LEU 32 Cb 0.75 -0.28 -0.05 0.00 -0.73 0.00 0.00 40.66 40.35 1dt7 h LEU 32 CO 0.05 0.89 0.63 0.50 -0.62 0.00 0.00 178.44 179.89 1dt7 h LYS 33 N 1.23 1.31 -0.17 1.25 3.64 -0.89 -1.99 116.57 120.95 1dt7 h LYS 33 Ca 0.31 -0.10 -0.10 0.00 -1.27 0.00 0.00 60.65 59.49 1dt7 h LYS 33 Cb 0.04 -0.29 -0.01 0.00 -0.41 0.00 0.00 32.23 31.56 1dt7 h LYS 33 CO -0.05 0.89 -0.35 0.93 -2.27 0.00 0.00 179.45 178.60 1dt7 h GLU 34 N 1.34 0.35 0.08 1.90 3.07 -1.40 0.85 114.58 120.77 1dt7 h GLU 34 Ca 0.36 -0.15 -0.00 0.00 -0.50 0.00 0.00 59.36 59.06 1dt7 h GLU 34 Cb -0.11 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 27.79 1dt7 h GLU 34 CO -0.07 0.66 -0.04 1.25 -1.40 0.00 0.00 179.01 179.41 1dt7 h LEU 35 N 0.30 -0.10 0.01 1.33 6.46 -0.86 -1.17 115.31 121.28 1dt7 h LEU 35 Ca 0.03 -0.12 -0.07 0.00 -0.12 0.00 0.00 57.88 57.61 1dt7 h LEU 35 Cb 0.77 0.02 0.01 0.00 -0.73 0.00 0.00 40.66 40.73 1dt7 h LEU 35 CO 0.06 0.06 -0.27 0.40 -0.62 0.00 0.00 178.44 178.07 1dt7 h ILE 36 N -0.25 1.56 -0.68 4.05 2.04 -1.18 -1.81 117.51 121.23 1dt7 h ILE 36 Ca -0.01 -2.01 -0.08 0.00 1.00 0.00 0.00 64.86 63.76 1dt7 h ILE 36 Cb 0.21 2.83 -0.03 0.00 -0.74 0.00 0.00 36.82 39.09 1dt7 h ILE 36 CO 0.02 0.55 0.12 -1.13 0.00 0.00 0.00 178.15 177.71 1dt7 h ASN 37 N -0.52 1.08 0.06 1.72 -0.00 0.66 -2.85 115.58 115.74 1dt7 h ASN 37 Ca -0.04 -0.26 -0.37 0.00 -0.00 0.00 0.00 56.30 55.64 1dt7 h ASN 37 Cb 1.04 -0.29 -0.06 0.00 -0.00 0.00 0.00 38.32 39.02 1dt7 h ASN 37 CO 0.05 1.06 -2.30 -3.20 -0.00 0.00 0.00 177.43 173.05 1dt7 n ASN 38 N -4.22 1.63 -0.16 1.15 4.05 -0.45 -4.19 115.26 113.07 1dt7 n ASN 38 Ca 0.05 0.00 -0.11 0.00 0.45 0.00 0.00 54.58 54.97 1dt7 n ASN 38 Cb 0.29 -0.27 -0.00 0.00 1.23 0.00 0.00 39.78 41.02 1dt7 n ASN 38 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 177.26 174.13 1dt7 h GLU 39 N 0.02 0.96 -2.47 1.20 4.81 -1.27 -3.25 114.58 114.57 1dt7 h GLU 39 Ca -0.52 -0.40 -0.77 0.00 -0.13 0.00 0.00 59.36 57.54 1dt7 h GLU 39 Cb 2.00 -0.04 -0.30 0.00 0.63 0.00 0.00 28.75 31.04 1dt7 h GLU 39 CO -0.02 1.07 0.66 1.28 -0.73 0.00 0.00 179.01 181.27 1dt7 n LEU 40 N -4.16 6.50 -0.37 1.64 4.77 -1.07 -4.81 117.00 119.49 1dt7 n LEU 40 Ca -0.00 -5.37 -0.02 0.00 -0.03 0.00 0.00 56.01 50.59 1dt7 n LEU 40 Cb 0.44 -1.10 0.11 0.00 -2.33 0.00 0.00 43.42 40.53 1dt7 n LEU 40 CO 0.46 1.97 1.29 -1.28 -1.33 0.00 0.00 177.39 178.50 1dt7 h SER 41 N 4.47 1.15 0.00 -1.43 0.87 -1.72 -3.36 113.55 113.53 1dt7 h SER 41 Ca 0.36 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.88 1dt7 h SER 41 Cb 0.46 -0.29 0.00 0.00 -0.44 0.00 0.00 62.40 62.13 1dt7 h SER 41 CO 1.17 0.84 -0.16 1.57 -0.53 0.00 0.00 176.83 179.72 1dt7 n HIS 42 N -4.38 0.00 -0.35 2.24 -0.00 -1.26 -4.51 115.22 106.96 1dt7 n HIS 42 Ca 0.12 0.00 -0.03 0.00 -0.00 0.00 0.00 57.72 57.81 1dt7 n HIS 42 Cb 0.02 0.00 0.10 0.00 -0.00 0.00 0.00 29.99 30.10 1dt7 n HIS 42 CO 0.00 0.00 0.00 0.35 -0.00 0.00 0.00 176.34 176.69 1dt7 h PHE 43 N 0.00 1.25 -3.00 1.57 3.57 -1.90 -3.44 116.94 115.01 1dt7 h PHE 43 Ca 0.00 -0.01 -0.43 0.00 3.53 0.00 0.00 57.97 61.06 1dt7 h PHE 43 Cb 0.00 -0.41 -0.15 0.00 2.79 0.00 0.00 35.95 38.19 1dt7 h PHE 43 CO 0.00 0.84 -0.73 -1.17 -2.23 0.00 0.00 178.31 175.02 1dt7 s LEU 44 N -9.99 2.55 -0.25 0.59 2.96 -1.26 -5.05 118.68 108.22 1dt7 s LEU 44 Ca -0.13 -1.01 -0.34 0.00 -0.22 0.00 0.00 54.13 52.44 1dt7 s LEU 44 Cb 0.17 -0.62 -0.10 0.00 0.50 0.00 0.00 46.19 46.14 1dt7 s LEU 44 CO 0.83 -0.19 2.10 -1.84 -1.32 0.00 0.00 176.35 175.92 1dt7 n GLU 45 N -0.31 1.55 -2.08 1.98 0.28 -1.26 -4.71 120.64 116.09 1dt7 n GLU 45 Ca -0.09 0.48 -0.36 0.00 -0.16 0.00 0.00 57.16 57.03 1dt7 n GLU 45 Cb 0.60 -2.66 0.02 0.00 1.43 0.00 0.00 31.44 30.83 1dt7 n GLU 45 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 1dt7 s GLU 46 N 5.59 3.08 0.09 3.44 2.12 -1.26 -4.99 118.70 126.77 1dt7 s GLU 46 Ca 1.03 1.77 -0.21 0.00 0.36 0.00 0.00 54.97 57.92 1dt7 s GLU 46 Cb -0.71 -1.95 -0.07 0.00 0.26 0.00 0.00 34.13 31.66 1dt7 s GLU 46 CO 0.47 -1.11 0.62 0.42 -0.54 0.00 0.00 175.26 175.13 1dt7 s ILE 47 N -1.64 4.65 -0.18 -3.70 1.01 -1.26 -4.96 121.20 115.12 1dt7 s ILE 47 Ca 0.76 1.33 0.06 0.00 0.00 0.00 0.00 60.65 62.80 1dt7 s ILE 47 Cb -0.29 -3.96 -0.07 0.00 0.01 0.00 0.00 42.46 38.16 1dt7 s ILE 47 CO 0.31 0.55 0.20 0.29 0.00 0.00 0.00 174.94 176.29 1dt7 n LYS 48 N 1.70 3.67 -3.95 2.79 4.76 -1.26 -4.93 118.16 120.94 1dt7 n LYS 48 Ca -0.09 -0.02 -0.15 0.00 -2.87 0.00 0.00 58.31 55.18 1dt7 n LYS 48 Cb 0.50 -0.87 -0.15 0.00 -1.84 0.00 0.00 35.03 32.67 1dt7 n LYS 48 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 1dt7 s GLU 49 N -1.78 0.19 0.59 1.97 2.56 -1.26 -5.02 118.70 115.95 1dt7 s GLU 49 Ca 0.01 -0.00 0.36 0.00 0.00 0.00 0.00 54.97 55.33 1dt7 s GLU 49 Cb 0.04 -0.28 1.85 0.00 2.00 0.00 0.00 34.13 37.75 1dt7 s GLU 49 CO 0.23 -0.03 2.19 1.96 -0.56 0.00 0.00 175.26 179.05 1dt7 h GLN 50 N 6.58 0.00 -0.92 4.30 7.50 -2.01 -2.68 115.11 127.88 1dt7 h GLN 50 Ca -0.33 0.00 0.01 0.00 0.50 0.00 0.00 58.65 58.83 1dt7 h GLN 50 Cb 1.17 0.00 -0.05 0.00 0.05 0.00 0.00 27.48 28.66 1dt7 h GLN 50 CO 0.50 0.04 0.61 1.05 -1.50 0.00 0.00 178.83 179.52 1dt7 h GLU 51 N 0.00 1.21 -1.01 1.46 4.11 -2.00 -1.05 114.58 117.31 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 0.21 -0.27 -0.05 0.00 0.50 0.00 0.00 28.75 29.14 1dt7 h GLU 51 CO 0.00 0.80 0.67 0.28 0.07 0.00 0.00 179.01 180.84 1dt7 h VAL 52 N 1.25 1.26 -0.90 -1.06 2.07 -1.91 -1.07 116.25 115.88 1dt7 h VAL 52 Ca 0.34 -0.47 -0.02 0.00 0.82 0.00 0.00 66.70 67.37 1dt7 h VAL 52 Cb -0.14 -0.23 -0.04 0.00 -1.52 0.00 0.00 31.29 29.36 1dt7 h VAL 52 CO -0.07 0.25 0.49 0.58 0.02 0.00 0.00 177.57 178.83 1dt7 h VAL 53 N 1.36 1.26 -0.92 2.57 2.07 -1.33 -1.78 116.25 119.48 1dt7 h VAL 53 Ca 0.37 -0.65 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 1dt7 h VAL 53 Cb -0.15 0.05 -0.04 0.00 -1.52 0.00 0.00 31.29 29.62 1dt7 h VAL 53 CO -0.08 0.30 0.53 -0.78 0.02 0.00 0.00 177.57 177.55 1dt7 h ASP 54 N 1.26 1.13 -0.71 0.57 1.82 -0.59 0.11 116.42 120.02 1dt7 h ASP 54 Ca 0.32 -0.09 -0.07 0.00 -0.39 0.00 0.00 57.03 56.80 1dt7 h ASP 54 Cb 0.04 -0.29 -0.03 0.00 0.68 0.00 0.00 39.33 39.73 1dt7 h ASP 54 CO -0.05 0.89 0.16 0.50 -1.61 0.00 0.00 179.24 179.13 1dt7 h LYS 55 N 1.28 1.15 -0.05 0.28 3.64 -0.80 -0.89 116.57 121.18 1dt7 h LYS 55 Ca 0.33 -0.28 -0.07 0.00 -1.27 0.00 0.00 60.65 59.36 1dt7 h LYS 55 Cb -0.01 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.65 1dt7 h LYS 55 CO -0.06 1.01 -0.29 0.28 -2.27 0.00 0.00 179.45 178.13 1dt7 h VAL 56 N 1.08 1.23 0.00 2.00 2.07 -0.65 -1.28 116.25 120.70 1dt7 h VAL 56 Ca 0.22 -1.07 -0.07 0.00 0.82 0.00 0.00 66.70 66.60 1dt7 h VAL 56 Cb 0.39 1.52 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 1dt7 h VAL 56 CO 0.00 0.31 -0.34 0.24 0.02 0.00 0.00 177.57 177.81 1dt7 h MET 57 N 0.07 0.00 -1.01 1.57 2.86 0.32 0.71 114.93 119.46 1dt7 h MET 57 Ca 0.01 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.66 1dt7 h MET 57 Cb 0.55 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.16 1dt7 h MET 57 CO 0.04 0.34 0.67 1.49 1.06 0.00 0.00 176.91 180.51 1dt7 h GLU 58 N 0.00 1.32 0.10 1.72 4.81 -0.23 3.24 114.58 125.55 1dt7 h GLU 58 Ca -0.00 -0.08 -0.26 0.00 -0.13 0.00 0.00 59.36 58.89 1dt7 h GLU 58 Cb 0.76 -0.30 0.03 0.00 0.63 0.00 0.00 28.75 29.87 1dt7 h GLU 58 CO 0.04 0.87 -1.08 1.15 -0.73 0.00 0.00 179.01 179.27 1dt7 h THR 59 N 1.36 1.34 0.00 0.32 2.02 -1.36 -3.33 112.91 113.25 1dt7 h THR 59 Ca 0.37 -2.40 0.00 0.00 0.77 0.00 0.00 66.41 65.15 1dt7 h THR 59 Cb -0.15 2.75 0.00 0.00 -1.74 0.00 0.00 68.15 69.01 1dt7 h THR 59 CO -0.08 0.72 -0.73 -0.07 0.37 0.00 0.00 175.52 175.73 1dt7 h LEU 60 N 0.12 0.00 -4.92 2.58 3.38 -0.45 -3.37 115.31 112.64 1dt7 h LEU 60 Ca -0.16 -0.10 -0.61 0.00 0.09 0.00 0.00 57.88 57.10 1dt7 h LEU 60 Cb 1.78 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.53 1dt7 h LEU 60 CO 0.21 0.05 3.18 -0.67 0.09 0.00 0.00 178.44 181.29 1dt7 n ASP 61 N -2.46 8.26 0.06 -0.43 -0.08 1.08 -4.52 116.55 118.45 1dt7 n ASP 61 Ca 0.02 -2.61 0.05 0.00 -1.51 0.00 0.00 54.79 50.73 1dt7 n ASP 61 Cb 0.50 -1.52 0.47 0.00 2.34 0.00 0.00 41.12 42.91 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 4.69 0.42 0.00 -0.67 5.08 -1.80 0.46 114.58 122.77 1dt7 h GLU 62 Ca 0.77 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 59.11 1dt7 h GLU 62 Cb 0.44 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1dt7 h GLU 62 CO 1.56 0.28 0.00 -0.25 -1.00 0.00 0.00 179.01 179.60 1dt7 n ASP 63 N -4.49 0.00 -2.55 1.42 8.00 -1.26 -4.89 116.55 112.78 1dt7 n ASP 63 Ca 0.02 0.34 -0.21 0.00 0.71 0.00 0.00 54.79 55.65 1dt7 n ASP 63 Cb 0.07 -0.44 0.01 0.00 -0.02 0.00 0.00 41.12 40.73 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 1.29 -0.46 0.69 0.44 0.00 0.16 -4.86 105.19 102.45 1dt7 n GLY 64 Ca 0.08 0.02 0.07 0.00 0.00 0.00 0.00 46.02 46.19 1dt7 n GLY 64 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1dt7 n ASP 65 N -2.05 2.61 0.00 1.61 5.68 -1.26 -4.94 116.55 118.20 1dt7 n ASP 65 Ca -0.18 -1.76 0.00 0.00 -0.50 0.00 0.00 54.79 52.35 1dt7 n ASP 65 Cb 0.65 -0.11 0.00 0.00 -1.14 0.00 0.00 41.12 40.52 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 0.85 0.78 2.88 6.12 0.00 -1.26 -4.99 105.19 109.56 1dt7 n GLY 66 Ca 0.11 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.00 0.02 -0.08 1.61 -1.05 -1.26 -2.72 118.70 115.22 1dt7 s GLU 67 Ca 0.00 -0.04 -0.00 0.00 -0.15 0.00 0.00 54.97 54.78 1dt7 s GLU 67 Cb 0.00 -0.00 -0.03 0.00 -0.44 0.00 0.00 34.13 33.66 1dt7 s GLU 67 CO 0.00 -0.00 -0.05 0.00 0.95 0.00 0.00 175.26 176.16 1dt7 s ASP 69 N -0.66 4.56 0.29 0.00 -1.08 -1.26 -1.54 116.67 116.98 1dt7 s ASP 69 Ca 0.10 0.68 0.02 0.00 -0.52 0.00 0.00 52.55 52.83 1dt7 s ASP 69 Cb -0.12 -1.20 0.60 0.00 -1.46 0.00 0.00 42.92 40.74 1dt7 s ASP 69 CO 0.02 -1.84 1.82 0.15 0.52 0.00 0.00 175.17 175.84 1dt7 h PHE 70 N -0.94 1.13 0.09 -5.34 3.57 -1.91 -0.81 116.94 112.72 1dt7 h PHE 70 Ca -0.45 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.07 1dt7 h PHE 70 Cb 1.32 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 39.71 1dt7 h PHE 70 CO 0.29 0.41 -0.04 0.37 -2.23 0.00 0.00 178.31 177.10 1dt7 h GLN 71 N 0.94 -0.12 -0.90 1.11 4.15 -1.91 -1.60 115.11 116.79 1dt7 h GLN 71 Ca 0.51 0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.93 1dt7 h GLN 71 Cb 0.58 0.03 -0.04 0.00 0.21 0.00 0.00 27.48 28.26 1dt7 h GLN 71 CO -0.29 -0.07 0.50 0.93 -1.93 0.00 0.00 178.83 177.97 1dt7 h GLU 72 N -0.14 1.25 -0.50 1.69 5.08 -1.58 -2.17 114.58 118.21 1dt7 h GLU 72 Ca -0.01 -0.14 -0.05 0.00 -1.00 0.00 0.00 59.36 58.15 1dt7 h GLU 72 Cb 0.11 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 1dt7 h GLU 72 CO 0.02 0.91 0.10 0.35 -1.00 0.00 0.00 179.01 179.39 1dt7 h PHE 73 N 1.25 0.80 -0.87 4.33 3.57 -1.02 -2.76 116.94 122.25 1dt7 h PHE 73 Ca 0.32 -0.07 0.01 0.00 3.53 0.00 0.00 57.97 61.75 1dt7 h PHE 73 Cb 0.02 -0.23 -0.04 0.00 2.79 0.00 0.00 35.95 38.48 1dt7 h PHE 73 CO 0.01 0.69 0.58 0.52 -2.23 0.00 0.00 178.31 177.87 1dt7 h MET 74 N 0.74 1.14 -0.17 1.11 2.86 -0.62 -2.45 114.93 117.54 1dt7 h MET 74 Ca 0.16 -0.07 -0.10 0.00 -2.06 0.00 0.00 59.70 57.64 1dt7 h MET 74 Cb 0.30 -0.26 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 1dt7 h MET 74 CO 0.00 0.76 -0.31 0.00 1.06 0.00 0.00 176.91 178.42 1dt7 h ALA 75 N 1.46 1.15 0.00 6.32 0.00 -1.37 -2.78 119.26 124.05 1dt7 h ALA 75 Ca 0.32 -0.36 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 1dt7 h ALA 75 Cb -0.14 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1dt7 h ALA 75 CO -0.07 0.55 -0.30 0.35 0.00 0.00 0.00 179.25 179.77 1dt7 h PHE 76 N 0.30 0.00 -0.53 0.00 3.57 -1.45 -2.64 116.94 116.18 1dt7 h PHE 76 Ca 0.04 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.44 1dt7 h PHE 76 Cb 0.70 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.42 1dt7 h PHE 76 CO 0.02 0.30 -0.06 0.28 -2.23 0.00 0.00 178.31 176.62 1dt7 h VAL 77 N 0.00 1.26 -0.78 1.41 2.07 -1.40 -2.58 116.25 116.24 1dt7 h VAL 77 Ca -0.00 -1.18 -0.04 0.00 0.82 0.00 0.00 66.70 66.30 1dt7 h VAL 77 Cb 0.55 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 1dt7 h VAL 77 CO 0.04 0.42 0.32 0.28 0.02 0.00 0.00 177.57 178.65 1dt7 h SER 78 N 0.87 1.06 -0.29 0.57 0.02 -1.47 -2.34 113.55 111.96 1dt7 h SER 78 Ca 0.15 -0.17 -0.16 0.00 -0.84 0.00 0.00 61.79 60.77 1dt7 h SER 78 Cb 0.59 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.85 1dt7 h SER 78 CO 0.04 0.93 -0.45 0.24 -1.14 0.00 0.00 176.83 176.45 1dt7 h MET 79 N 1.12 0.83 -0.52 3.45 2.86 -1.48 -2.94 114.93 118.25 1dt7 h MET 79 Ca 0.26 -0.50 -0.08 0.00 -2.06 0.00 0.00 59.70 57.32 1dt7 h MET 79 Cb 0.20 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.88 1dt7 h MET 79 CO -0.02 1.13 -0.01 0.28 1.06 0.00 0.00 176.91 179.35 1dt7 h VAL 80 N 0.60 1.25 -0.85 -2.22 2.07 -1.36 -2.37 116.25 113.38 1dt7 h VAL 80 Ca 0.03 -1.07 0.01 0.00 0.82 0.00 0.00 66.70 66.49 1dt7 h VAL 80 Cb 1.05 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 31.65 1dt7 h VAL 80 CO 0.10 0.38 0.56 0.74 0.02 0.00 0.00 177.57 179.38 1dt7 h THR 81 N 0.81 1.22 -1.01 2.57 2.02 -1.41 -1.12 112.91 116.00 1dt7 h THR 81 Ca 0.15 -0.40 0.04 0.00 0.77 0.00 0.00 66.41 66.98 1dt7 h THR 81 Cb 0.50 -0.04 -0.06 0.00 -1.74 0.00 0.00 68.15 66.81 1dt7 h THR 81 CO 0.02 0.21 0.66 0.74 0.37 0.00 0.00 175.52 177.52 1dt7 h THR 82 N 1.15 1.16 -0.90 3.16 2.02 -1.24 0.14 112.91 118.40 1dt7 h THR 82 Ca 0.31 -0.43 0.01 0.00 0.77 0.00 0.00 66.41 67.07 1dt7 h THR 82 Cb -0.13 -0.21 -0.04 0.00 -1.74 0.00 0.00 68.15 66.03 1dt7 h THR 82 CO -0.07 0.23 0.60 0.00 0.37 0.00 0.00 175.52 176.65 1dt7 h ALA 83 N 1.42 1.36 -0.80 6.16 0.00 -1.08 -1.81 119.26 124.50 1dt7 h ALA 83 Ca 0.41 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.26 1dt7 h ALA 83 Cb 0.02 -0.37 -0.04 0.00 0.00 0.00 0.00 17.79 17.41 1dt7 h ALA 83 CO -0.13 0.60 0.53 0.00 0.00 0.00 0.00 179.25 180.24 1dt7 h HIS 85 N 1.08 1.27 -0.26 0.00 6.17 -0.83 2.09 115.15 124.67 1dt7 h HIS 85 Ca 0.29 0.03 -0.08 0.00 0.71 0.00 0.00 60.37 61.32 1dt7 h HIS 85 Cb -0.12 -0.43 -0.01 0.00 2.52 0.00 0.00 27.41 29.37 1dt7 h HIS 85 CO -0.00 0.79 -0.18 1.49 0.71 0.00 0.00 177.93 180.74 1dt7 h GLU 86 N 1.36 0.45 0.00 5.26 4.57 -1.26 -3.02 114.58 121.93 1dt7 h GLU 86 Ca 0.37 -0.14 -0.11 0.00 -1.18 0.00 0.00 59.36 58.30 1dt7 h GLU 86 Cb -0.14 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.39 1dt7 h GLU 86 CO -0.09 0.62 -1.47 0.34 -1.18 0.00 0.00 179.01 177.23 1dt7 n PHE 87 N -4.17 0.75 -0.33 0.92 -0.00 -0.31 -4.03 117.46 110.28 1dt7 n PHE 87 Ca 0.00 0.24 -0.01 0.00 -0.00 0.00 0.00 57.45 57.68 1dt7 n PHE 87 Cb 0.35 -0.95 0.24 0.00 -0.00 0.00 0.00 39.48 39.11 1dt7 n PHE 87 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.76 177.95 1dt7 n PHE 88 N -2.72 1.58 -1.54 -5.13 3.01 0.69 -4.89 117.46 108.46 1dt7 n PHE 88 Ca -0.08 -0.72 -0.36 0.00 1.01 0.00 0.00 57.45 57.30 1dt7 n PHE 88 Cb 0.74 -0.47 -0.05 0.00 -0.01 0.00 0.00 39.48 39.70 1dt7 n PHE 88 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1dt7 n GLU 89 N 0.16 0.88 -0.37 -1.08 -0.58 -1.15 -4.76 120.64 113.73 1dt7 n GLU 89 Ca 0.24 -0.03 -0.02 0.00 -0.42 0.00 0.00 57.16 56.93 1dt7 n GLU 89 Cb 0.99 -3.19 0.11 0.00 -0.57 0.00 0.00 31.44 28.79 1dt7 n GLU 89 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1dt7 h HIS 90 N 18.40 1.25 0.00 -0.32 -0.00 -1.90 -3.52 115.15 129.06 1dt7 h HIS 90 Ca -0.21 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.19 1dt7 h HIS 90 Cb 1.27 -0.42 0.00 0.00 -0.00 0.00 0.00 27.41 28.25 1dt7 h HIS 90 CO 0.99 0.79 0.00 -1.91 -0.00 0.00 0.00 177.93 177.79