#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 -2.79 0.00 6.12 2.88 -1.26 -4.70 113.62 113.86 1dt7 n SER 1 Ca 0.00 0.26 0.10 0.00 -1.33 0.00 0.00 58.87 57.91 1dt7 n SER 1 Cb 0.00 -2.71 0.53 0.00 -0.75 0.00 0.00 64.21 61.28 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 -1.72 0.29 -0.04 -1.46 1.02 -1.26 -3.76 120.64 113.71 1dt7 n GLU 2 Ca -0.11 0.09 0.22 0.00 -0.02 0.00 0.00 57.16 57.34 1dt7 n GLU 2 Cb 0.35 -1.50 0.49 0.00 -0.02 0.00 0.00 31.44 30.76 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 -0.54 -4.62 5.85 -2.00 0.79 115.31 114.80 1dt7 h LEU 3 Ca 0.00 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.60 1dt7 h LEU 3 Cb 0.21 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 1dt7 h LEU 3 CO 0.00 0.00 -0.13 -0.08 -0.34 0.00 0.00 178.44 177.89 1dt7 h GLU 4 N 0.00 1.04 -0.34 1.25 4.81 -1.97 -1.88 114.58 117.49 1dt7 h GLU 4 Ca 0.33 -0.40 -0.17 0.00 -0.13 0.00 0.00 59.36 58.99 1dt7 h GLU 4 Cb 2.23 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 31.55 1dt7 h GLU 4 CO -0.00 1.09 -0.47 0.87 -0.73 0.00 0.00 179.01 179.77 1dt7 h LYS 5 N 0.91 0.92 -0.69 1.92 1.57 0.29 -2.86 116.57 118.63 1dt7 h LYS 5 Ca 0.14 -0.53 -0.08 0.00 -1.87 0.00 0.00 60.65 58.31 1dt7 h LYS 5 Cb 0.71 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 33.03 1dt7 h LYS 5 CO 0.05 1.18 0.12 0.00 -0.57 0.00 0.00 179.45 180.23 1dt7 h ALA 6 N 0.73 0.92 -0.56 3.86 0.00 -1.34 -2.09 119.26 120.77 1dt7 h ALA 6 Ca 0.04 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.57 1dt7 h ALA 6 Cb 1.07 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 1dt7 h ALA 6 CO 0.11 0.67 -0.09 0.52 0.00 0.00 0.00 179.25 180.47 1dt7 h MET 7 N 1.06 1.05 -0.66 0.00 2.86 -1.35 -1.75 114.93 116.15 1dt7 h MET 7 Ca 0.21 -0.38 -0.09 0.00 -2.06 0.00 0.00 59.70 57.38 1dt7 h MET 7 Cb 0.43 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.99 1dt7 h MET 7 CO 0.01 1.08 0.07 0.28 1.06 0.00 0.00 176.91 179.41 1dt7 h VAL 8 N 0.94 1.27 -0.12 -2.22 2.07 -1.32 -2.95 116.25 113.92 1dt7 h VAL 8 Ca 0.15 -1.08 -0.18 0.00 0.82 0.00 0.00 66.70 66.40 1dt7 h VAL 8 Cb 0.66 0.68 -0.00 0.00 -1.52 0.00 0.00 31.29 31.10 1dt7 h VAL 8 CO 0.05 0.40 -0.69 0.00 0.02 0.00 0.00 177.57 177.35 1dt7 h ALA 9 N 1.04 0.57 -1.01 1.67 0.00 -1.24 -2.48 119.26 117.81 1dt7 h ALA 9 Ca 0.20 -0.58 0.01 0.00 0.00 0.00 0.00 54.91 54.54 1dt7 h ALA 9 Cb 0.48 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 1dt7 h ALA 9 CO 0.02 0.73 0.67 1.25 0.00 0.00 0.00 179.25 181.91 1dt7 h LEU 10 N 0.37 1.16 -0.66 0.00 5.85 -1.25 -1.43 115.31 119.35 1dt7 h LEU 10 Ca -0.02 -0.03 -0.12 0.00 0.84 0.00 0.00 57.88 58.54 1dt7 h LEU 10 Cb 1.26 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 41.99 1dt7 h LEU 10 CO 0.13 0.83 -0.29 0.40 -0.34 0.00 0.00 178.44 179.17 1dt7 h ILE 11 N 1.36 1.28 -0.31 4.05 2.04 -1.44 -3.07 117.51 121.43 1dt7 h ILE 11 Ca 0.37 -1.42 0.00 0.00 1.00 0.00 0.00 64.86 64.81 1dt7 h ILE 11 Cb -0.15 1.33 -0.02 0.00 -0.74 0.00 0.00 36.82 37.24 1dt7 h ILE 11 CO -0.08 0.47 0.20 -0.78 0.00 0.00 0.00 178.15 177.96 1dt7 h ASP 12 N 0.62 0.34 -0.66 1.72 1.82 -0.79 -2.65 116.42 116.82 1dt7 h ASP 12 Ca 0.07 -0.01 -0.06 0.00 -0.39 0.00 0.00 57.03 56.65 1dt7 h ASP 12 Cb 0.81 -0.08 -0.03 0.00 0.68 0.00 0.00 39.33 40.70 1dt7 h ASP 12 CO 0.07 0.25 0.19 0.58 -1.61 0.00 0.00 179.24 178.72 1dt7 h VAL 13 N 0.41 1.25 -1.01 2.25 2.07 -1.49 -2.31 116.25 117.43 1dt7 h VAL 13 Ca 0.11 -0.89 0.09 0.00 0.82 0.00 0.00 66.70 66.83 1dt7 h VAL 13 Cb -0.04 0.52 -0.07 0.00 -1.52 0.00 0.00 31.29 30.17 1dt7 h VAL 13 CO -0.03 0.34 0.64 0.15 0.02 0.00 0.00 177.57 178.70 1dt7 h PHE 14 N 1.01 1.18 0.00 1.57 3.04 -1.38 0.37 116.94 122.74 1dt7 h PHE 14 Ca 0.22 0.03 -0.02 0.00 3.98 0.00 0.00 57.97 62.18 1dt7 h PHE 14 Cb 0.31 -0.38 -0.00 0.00 2.56 0.00 0.00 35.95 38.44 1dt7 h PHE 14 CO 0.02 0.56 -0.09 0.45 -2.02 0.00 0.00 178.31 177.23 1dt7 h HIS 15 N 1.11 0.00 -0.64 0.41 3.86 -1.14 -2.20 115.15 116.56 1dt7 h HIS 15 Ca 0.46 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.68 1dt7 h HIS 15 Cb 0.30 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.73 1dt7 h HIS 15 CO -0.00 0.09 0.42 0.37 0.86 0.00 0.00 177.93 179.67 1dt7 h GLN 16 N 0.00 0.84 0.02 2.45 4.15 0.14 -2.95 115.11 119.76 1dt7 h GLN 16 Ca -0.00 -0.05 -0.37 0.00 0.77 0.00 0.00 58.65 59.00 1dt7 h GLN 16 Cb 0.56 -0.19 -0.06 0.00 0.21 0.00 0.00 27.48 28.01 1dt7 h GLN 16 CO 0.01 0.55 -2.29 0.66 -1.93 0.00 0.00 178.83 175.84 1dt7 n TYR 17 N -4.64 0.33 -0.38 3.99 4.02 -1.17 -4.33 117.16 114.97 1dt7 n TYR 17 Ca 0.05 0.09 -0.02 0.00 -0.01 0.00 0.00 57.90 58.01 1dt7 n TYR 17 Cb 0.02 -1.05 0.11 0.00 -0.02 0.00 0.00 39.34 38.40 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 0.01 1.16 0.30 7.72 0.02 -1.47 -0.73 113.55 120.56 1dt7 h SER 18 Ca -0.51 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.41 1dt7 h SER 18 Cb 2.03 -0.29 0.00 0.00 0.14 0.00 0.00 62.40 64.28 1dt7 h SER 18 CO -0.01 0.84 0.00 0.61 -1.14 0.00 0.00 176.83 177.13 1dt7 n GLY 19 N -1.38 -0.92 0.15 -3.77 0.00 -1.12 -3.42 105.19 94.73 1dt7 n GLY 19 Ca 0.12 -0.11 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 0.41 -6.17 1.61 2.43 -1.32 -3.46 114.38 107.88 1dt7 h ARG 20 Ca 0.00 -0.22 -0.56 0.00 -0.81 0.00 0.00 59.98 58.39 1dt7 h ARG 20 Cb 0.15 0.01 -0.10 0.00 -0.42 0.00 0.00 29.97 29.61 1dt7 h ARG 20 CO 0.00 0.79 -0.64 -1.21 -1.51 0.00 0.00 179.97 177.40 1dt7 s GLU 21 N -4.26 2.25 0.62 0.20 2.02 -1.22 -4.97 118.70 113.33 1dt7 s GLU 21 Ca -0.14 -1.49 0.23 0.00 0.02 0.00 0.00 54.97 53.60 1dt7 s GLU 21 Cb 0.06 -2.12 1.03 0.00 0.10 0.00 0.00 34.13 33.20 1dt7 s GLU 21 CO 0.77 0.31 1.52 0.78 0.02 0.00 0.00 175.26 178.66 1dt7 h GLY 22 N 1.86 0.00 -5.20 -1.39 0.00 -1.88 -2.87 103.07 93.59 1dt7 h GLY 22 Ca -0.44 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 46.55 1dt7 h GLY 22 CO 0.61 0.00 2.17 1.22 0.00 0.00 0.00 176.54 180.54 1dt7 n ASP 23 N -3.19 4.85 -0.21 0.19 8.00 -1.26 -4.48 116.55 120.44 1dt7 n ASP 23 Ca 0.11 -2.29 -0.09 0.00 0.71 0.00 0.00 54.79 53.22 1dt7 n ASP 23 Cb 1.01 -1.08 0.02 0.00 -0.02 0.00 0.00 41.12 41.05 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 5.79 1.08 -0.00 -1.24 1.57 -1.54 -3.01 116.57 119.22 1dt7 h LYS 24 Ca 0.44 -0.35 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1dt7 h LYS 24 Cb 0.32 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1dt7 h LYS 24 CO 1.24 1.06 -0.30 1.58 -0.57 0.00 0.00 179.45 182.47 1dt7 n HIS 25 N -4.17 0.00 -4.07 -1.35 -0.00 -1.26 -4.64 115.22 99.73 1dt7 n HIS 25 Ca 0.03 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 58.11 1dt7 n HIS 25 Cb 0.36 -0.24 -0.08 0.00 -0.12 0.00 0.00 29.99 29.91 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 -2.77 1.21 -0.12 1.57 -2.85 -1.14 -4.10 119.74 111.54 1dt7 s LYS 26 Ca 0.18 -1.38 0.03 0.00 -1.00 0.00 0.00 55.97 53.81 1dt7 s LYS 26 Cb 0.19 0.34 0.01 0.00 -2.06 0.00 0.00 37.83 36.30 1dt7 s LYS 26 CO 0.59 -0.43 -0.22 -0.51 0.10 0.00 0.00 175.35 174.87 1dt7 s LEU 27 N -3.05 2.07 0.19 2.77 1.43 -0.77 -4.65 118.68 116.67 1dt7 s LEU 27 Ca 0.26 -0.57 -0.09 0.00 -1.03 0.00 0.00 54.13 52.70 1dt7 s LEU 27 Cb 0.04 -1.40 -0.07 0.00 0.03 0.00 0.00 46.19 44.80 1dt7 s LEU 27 CO 0.06 0.11 0.49 -0.75 0.23 0.00 0.00 176.35 176.49 1dt7 s LYS 28 N 0.60 3.76 0.63 1.70 2.20 -1.26 -0.57 119.74 126.81 1dt7 s LYS 28 Ca -0.13 0.19 0.20 0.00 -0.36 0.00 0.00 55.97 55.87 1dt7 s LYS 28 Cb -0.17 -2.75 0.91 0.00 -1.51 0.00 0.00 37.83 34.31 1dt7 s LYS 28 CO 0.03 0.39 1.45 1.57 -0.36 0.00 0.00 175.35 178.43 1dt7 h LYS 29 N 2.78 0.00 0.00 4.03 2.10 -1.90 0.85 116.57 124.43 1dt7 h LYS 29 Ca -0.47 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.18 1dt7 h LYS 29 Cb 1.17 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.50 1dt7 h LYS 29 CO 0.70 0.00 -0.02 1.03 -2.00 0.00 0.00 179.45 179.16 1dt7 h SER 30 N 0.00 0.01 0.04 7.07 0.87 -1.90 -2.70 113.55 116.94 1dt7 h SER 30 Ca 0.20 -1.00 -0.11 0.00 -1.23 0.00 0.00 61.79 59.66 1dt7 h SER 30 Cb 1.89 -0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.83 1dt7 h SER 30 CO -0.00 1.01 -0.35 -0.08 -0.53 0.00 0.00 176.83 176.88 1dt7 h GLU 31 N -0.99 0.43 -0.87 2.24 4.81 -0.24 -2.72 114.58 117.25 1dt7 h GLU 31 Ca -0.00 -0.19 0.01 0.00 -0.13 0.00 0.00 59.36 59.04 1dt7 h GLU 31 Cb 1.01 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.34 1dt7 h GLU 31 CO 0.00 0.73 0.57 1.25 -0.73 0.00 0.00 179.01 180.83 1dt7 h LEU 32 N 0.37 0.99 -1.01 1.64 5.85 0.31 -2.21 115.31 121.26 1dt7 h LEU 32 Ca 0.04 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.75 1dt7 h LEU 32 Cb 0.79 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.52 1dt7 h LEU 32 CO 0.06 0.72 0.66 0.50 -0.34 0.00 0.00 178.44 180.05 1dt7 h LYS 33 N 1.17 1.32 -0.94 1.25 3.64 -1.15 -1.54 116.57 120.33 1dt7 h LYS 33 Ca 0.32 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.61 1dt7 h LYS 33 Cb -0.14 -0.30 -0.05 0.00 -0.41 0.00 0.00 32.23 31.34 1dt7 h LYS 33 CO -0.07 0.88 0.56 0.93 -2.27 0.00 0.00 179.45 179.47 1dt7 h GLU 34 N 1.36 1.29 -0.10 1.90 4.39 -1.35 0.86 114.58 122.93 1dt7 h GLU 34 Ca 0.37 -0.13 -0.00 0.00 0.34 0.00 0.00 59.36 59.94 1dt7 h GLU 34 Cb -0.16 -0.27 -0.01 0.00 -0.10 0.00 0.00 28.75 28.22 1dt7 h GLU 34 CO -0.08 0.91 0.06 1.25 -1.16 0.00 0.00 179.01 179.99 1dt7 h LEU 35 N 1.30 0.12 -0.04 1.33 6.46 -0.99 -0.99 115.31 122.52 1dt7 h LEU 35 Ca 0.34 -0.05 -0.09 0.00 -0.12 0.00 0.00 57.88 57.96 1dt7 h LEU 35 Cb -0.04 -0.03 0.01 0.00 -0.73 0.00 0.00 40.66 39.87 1dt7 h LEU 35 CO -0.06 0.13 -0.32 0.40 -0.62 0.00 0.00 178.44 177.97 1dt7 h ILE 36 N 0.10 1.46 -0.38 4.05 2.04 -0.76 -1.57 117.51 122.46 1dt7 h ILE 36 Ca 0.04 -1.82 -0.16 0.00 1.00 0.00 0.00 64.86 63.91 1dt7 h ILE 36 Cb 0.03 2.49 -0.01 0.00 -0.74 0.00 0.00 36.82 38.60 1dt7 h ILE 36 CO -0.01 0.51 -0.41 0.78 0.00 0.00 0.00 178.15 179.03 1dt7 h ASN 37 N -0.27 1.01 0.06 1.72 -0.26 0.71 -3.09 115.58 115.47 1dt7 h ASN 37 Ca -0.03 -0.47 -0.38 0.00 -0.56 0.00 0.00 56.30 54.86 1dt7 h ASN 37 Cb 1.01 -0.28 -0.05 0.00 -1.06 0.00 0.00 38.32 37.93 1dt7 h ASN 37 CO 0.07 1.28 -2.28 -3.20 -1.06 0.00 0.00 177.43 172.23 1dt7 n ASN 38 N -4.05 1.83 -0.18 5.81 5.15 -0.38 -4.21 115.26 119.22 1dt7 n ASN 38 Ca -0.02 0.01 -0.11 0.00 -0.60 0.00 0.00 54.58 53.86 1dt7 n ASN 38 Cb 0.56 -0.43 0.01 0.00 -0.53 0.00 0.00 39.78 39.38 1dt7 n ASN 38 CO 0.00 0.00 0.00 -0.08 1.40 0.00 0.00 177.26 178.58 1dt7 h GLU 39 N 0.02 1.03 -2.50 1.20 4.81 -1.26 -3.20 114.58 114.69 1dt7 h GLU 39 Ca -0.51 -0.40 -0.81 0.00 -0.13 0.00 0.00 59.36 57.51 1dt7 h GLU 39 Cb 1.98 -0.06 -0.27 0.00 0.63 0.00 0.00 28.75 31.03 1dt7 h GLU 39 CO -0.01 1.09 0.98 1.28 -0.73 0.00 0.00 179.01 181.61 1dt7 n LEU 40 N -4.14 7.04 -0.38 1.64 4.77 -1.17 -4.78 117.00 119.98 1dt7 n LEU 40 Ca 0.01 -5.32 -0.02 0.00 -0.03 0.00 0.00 56.01 50.65 1dt7 n LEU 40 Cb 0.42 -1.21 0.11 0.00 -2.33 0.00 0.00 43.42 40.40 1dt7 n LEU 40 CO 0.46 1.92 1.30 0.77 -1.33 0.00 0.00 177.39 180.51 1dt7 h SER 41 N 4.66 1.16 0.00 -1.43 4.64 -1.72 -3.35 113.55 117.50 1dt7 h SER 41 Ca 0.42 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 1dt7 h SER 41 Cb 0.43 -0.29 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 1dt7 h SER 41 CO 1.24 0.84 -0.15 1.41 -0.87 0.00 0.00 176.83 179.31 1dt7 n HIS 42 N -4.38 0.00 -0.29 4.77 8.25 -1.26 -4.67 115.22 117.64 1dt7 n HIS 42 Ca 0.12 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.53 1dt7 n HIS 42 Cb 0.01 0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.19 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 1.09 -3.74 4.41 3.57 -1.89 -3.43 116.94 116.95 1dt7 h PHE 43 Ca 0.00 -0.03 -0.38 0.00 3.53 0.00 0.00 57.97 61.08 1dt7 h PHE 43 Cb 0.00 -0.35 -0.19 0.00 2.79 0.00 0.00 35.95 38.20 1dt7 h PHE 43 CO 0.00 0.77 -0.76 -1.17 -2.23 0.00 0.00 178.31 174.92 1dt7 s LEU 44 N -9.92 2.36 -0.13 0.59 0.20 -1.26 -5.07 118.68 105.46 1dt7 s LEU 44 Ca -0.13 -0.75 -0.29 0.00 0.69 0.00 0.00 54.13 53.65 1dt7 s LEU 44 Cb 0.15 -0.46 -0.07 0.00 -0.43 0.00 0.00 46.19 45.38 1dt7 s LEU 44 CO 0.81 -0.16 2.13 1.21 -0.29 0.00 0.00 176.35 180.05 1dt7 n GLU 45 N 0.79 2.26 -0.61 1.98 4.07 -1.26 -4.68 120.64 123.17 1dt7 n GLU 45 Ca -0.18 0.72 -0.31 0.00 -0.06 0.00 0.00 57.16 57.33 1dt7 n GLU 45 Cb 0.56 -3.11 0.20 0.00 -0.06 0.00 0.00 31.44 29.03 1dt7 n GLU 45 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 1dt7 n GLU 46 N 8.24 -1.57 -3.63 5.31 1.02 -1.26 -4.97 120.64 123.78 1dt7 n GLU 46 Ca 0.27 -0.43 -0.38 0.00 -0.02 0.00 0.00 57.16 56.60 1dt7 n GLU 46 Cb 0.42 -2.01 -0.06 0.00 -0.02 0.00 0.00 31.44 29.77 1dt7 n GLU 46 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1dt7 s ILE 47 N -2.39 5.19 -0.34 -3.67 -1.09 -1.26 -4.98 121.20 112.66 1dt7 s ILE 47 Ca 0.63 0.63 0.12 0.00 -2.23 0.00 0.00 60.65 59.80 1dt7 s ILE 47 Cb -0.20 -3.61 -0.16 0.00 -1.58 0.00 0.00 42.46 36.91 1dt7 s ILE 47 CO 0.65 0.59 0.41 0.29 -1.23 0.00 0.00 174.94 175.65 1dt7 n LYS 48 N 1.87 1.94 -4.04 2.79 4.76 -1.26 -4.95 118.16 119.26 1dt7 n LYS 48 Ca -0.16 -0.05 -0.12 0.00 -2.87 0.00 0.00 58.31 55.11 1dt7 n LYS 48 Cb 0.53 -1.16 -0.12 0.00 -1.84 0.00 0.00 35.03 32.45 1dt7 n LYS 48 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1dt7 s GLU 49 N -2.43 0.45 0.44 1.97 2.02 -1.26 -5.02 118.70 114.88 1dt7 s GLU 49 Ca 0.01 -0.67 0.23 0.00 0.02 0.00 0.00 54.97 54.56 1dt7 s GLU 49 Cb 0.09 -0.19 0.99 0.00 0.10 0.00 0.00 34.13 35.11 1dt7 s GLU 49 CO 0.50 0.03 1.87 1.96 0.02 0.00 0.00 175.26 179.64 1dt7 h GLN 50 N 4.67 0.00 -0.96 1.61 1.08 -2.01 -3.03 115.11 116.46 1dt7 h GLN 50 Ca -0.34 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 56.86 1dt7 h GLN 50 Cb 1.20 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 28.59 1dt7 h GLN 50 CO 0.42 0.24 0.59 1.05 -0.95 0.00 0.00 178.83 180.18 1dt7 h GLU 51 N 0.00 1.30 -1.00 1.46 4.11 -1.99 -1.72 114.58 116.74 1dt7 h GLU 51 Ca -0.00 -0.11 0.01 0.00 0.07 0.00 0.00 59.36 59.32 1dt7 h GLU 51 Cb 0.67 -0.28 -0.05 0.00 0.50 0.00 0.00 28.75 29.60 1dt7 h GLU 51 CO 0.03 0.90 0.65 0.28 0.07 0.00 0.00 179.01 180.94 1dt7 h VAL 52 N 1.32 1.26 -0.38 -1.06 2.07 -1.96 -1.32 116.25 116.18 1dt7 h VAL 52 Ca 0.35 -0.48 -0.09 0.00 0.82 0.00 0.00 66.70 67.30 1dt7 h VAL 52 Cb -0.07 -0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 29.48 1dt7 h VAL 52 CO -0.07 0.25 -0.12 0.58 0.02 0.00 0.00 177.57 178.24 1dt7 h VAL 53 N 1.35 1.25 -0.28 2.57 2.07 -1.48 -2.07 116.25 119.66 1dt7 h VAL 53 Ca 0.36 -1.13 -0.10 0.00 0.82 0.00 0.00 66.70 66.65 1dt7 h VAL 53 Cb -0.14 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 1dt7 h VAL 53 CO -0.08 0.38 -0.25 -0.78 0.02 0.00 0.00 177.57 176.86 1dt7 h ASP 54 N 0.62 0.55 -0.47 0.57 1.82 -0.42 -0.54 116.42 118.54 1dt7 h ASP 54 Ca 0.11 -0.19 -0.14 0.00 -0.39 0.00 0.00 57.03 56.42 1dt7 h ASP 54 Cb 0.56 -0.15 -0.01 0.00 0.68 0.00 0.00 39.33 40.41 1dt7 h ASP 54 CO 0.04 0.79 -0.25 0.50 -1.61 0.00 0.00 179.24 178.70 1dt7 h LYS 55 N 0.48 1.00 -0.40 0.28 3.64 -1.02 -0.89 116.57 119.66 1dt7 h LYS 55 Ca 0.07 -0.45 -0.05 0.00 -1.27 0.00 0.00 60.65 58.95 1dt7 h LYS 55 Cb 0.69 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.47 1dt7 h LYS 55 CO 0.05 1.12 0.04 0.28 -2.27 0.00 0.00 179.45 178.67 1dt7 h VAL 56 N 0.85 1.20 0.00 2.00 2.07 -1.05 -1.10 116.25 120.23 1dt7 h VAL 56 Ca 0.10 -0.79 -0.06 0.00 0.82 0.00 0.00 66.70 66.77 1dt7 h VAL 56 Cb 0.84 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 1dt7 h VAL 56 CO 0.07 0.28 -0.30 0.24 0.02 0.00 0.00 177.57 177.88 1dt7 h MET 57 N 0.59 0.00 -1.00 1.57 2.86 -0.37 0.62 114.93 119.20 1dt7 h MET 57 Ca 0.13 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.78 1dt7 h MET 57 Cb 0.32 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.93 1dt7 h MET 57 CO 0.01 0.30 0.67 1.49 1.06 0.00 0.00 176.91 180.44 1dt7 h GLU 58 N 0.00 1.32 0.18 1.72 4.81 0.16 3.42 114.58 126.18 1dt7 h GLU 58 Ca -0.00 -0.08 -0.32 0.00 -0.13 0.00 0.00 59.36 58.82 1dt7 h GLU 58 Cb 0.73 -0.30 0.01 0.00 0.63 0.00 0.00 28.75 29.83 1dt7 h GLU 58 CO 0.04 0.87 -1.54 1.15 -0.73 0.00 0.00 179.01 178.81 1dt7 h THR 59 N 1.36 1.18 0.00 0.32 2.02 -1.33 -3.35 112.91 113.11 1dt7 h THR 59 Ca 0.37 -2.73 0.00 0.00 0.77 0.00 0.00 66.41 64.81 1dt7 h THR 59 Cb -0.15 2.87 0.00 0.00 -1.74 0.00 0.00 68.15 69.12 1dt7 h THR 59 CO -0.08 0.84 -0.69 0.25 0.37 0.00 0.00 175.52 176.21 1dt7 h LEU 60 N 0.10 0.00 -5.20 2.58 5.85 0.70 -3.37 115.31 115.98 1dt7 h LEU 60 Ca -0.26 -0.07 -0.68 0.00 0.84 0.00 0.00 57.88 57.71 1dt7 h LEU 60 Cb 2.08 0.00 0.01 0.00 0.37 0.00 0.00 40.66 43.11 1dt7 h LEU 60 CO 0.21 0.04 3.64 -0.67 -0.34 0.00 0.00 178.44 181.31 1dt7 n ASP 61 N -2.54 8.04 -0.38 1.25 -0.08 1.13 -4.60 116.55 119.38 1dt7 n ASP 61 Ca 0.02 -2.66 -0.02 0.00 -1.51 0.00 0.00 54.79 50.62 1dt7 n ASP 61 Cb 0.51 -1.56 0.11 0.00 2.34 0.00 0.00 41.12 42.52 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 5.11 1.32 -0.01 -0.67 5.08 -1.80 -0.40 114.58 123.22 1dt7 h GLU 62 Ca 0.82 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 59.10 1dt7 h GLU 62 Cb 0.33 -0.30 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1dt7 h GLU 62 CO 1.78 0.88 -0.07 -0.40 -1.00 0.00 0.00 179.01 180.19 1dt7 n ASP 63 N -4.38 0.60 -2.03 1.42 5.75 -1.26 -4.91 116.55 111.75 1dt7 n ASP 63 Ca 0.12 -0.86 -0.15 0.00 -0.01 0.00 0.00 54.79 53.90 1dt7 n ASP 63 Cb 0.01 -0.04 0.02 0.00 -1.03 0.00 0.00 41.12 40.08 1dt7 n ASP 63 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1dt7 n GLY 64 N 1.20 -0.13 0.67 6.12 0.00 -0.16 -4.90 105.19 108.00 1dt7 n GLY 64 Ca 0.17 -0.19 0.09 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.04 2.38 0.00 1.61 5.75 -1.26 -4.94 116.55 119.05 1dt7 n ASP 65 Ca -0.09 -1.69 0.00 0.00 -0.01 0.00 0.00 54.79 53.00 1dt7 n ASP 65 Cb 0.59 0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.75 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 1.04 0.72 2.85 6.12 0.00 -1.26 -4.98 105.19 109.68 1dt7 n GLY 66 Ca 0.10 0.00 -0.16 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 -0.11 0.26 -0.24 1.61 2.02 -1.26 -2.80 118.70 118.17 1dt7 s GLU 67 Ca 0.00 0.02 -0.15 0.00 0.02 0.00 0.00 54.97 54.86 1dt7 s GLU 67 Cb 0.00 -0.37 -0.04 0.00 0.10 0.00 0.00 34.13 33.82 1dt7 s GLU 67 CO 0.00 -0.07 0.37 0.00 0.02 0.00 0.00 175.26 175.59 1dt7 s ASP 69 N 1.38 4.00 0.30 0.00 1.01 -1.26 -1.84 116.67 120.26 1dt7 s ASP 69 Ca 0.16 0.82 0.04 0.00 0.71 0.00 0.00 52.55 54.28 1dt7 s ASP 69 Cb -0.15 -1.31 0.78 0.00 1.01 0.00 0.00 42.92 43.24 1dt7 s ASP 69 CO 0.09 -2.23 1.64 0.15 0.21 0.00 0.00 175.17 175.03 1dt7 h PHE 70 N -1.28 0.38 -0.00 4.23 3.04 -1.94 0.29 116.94 121.66 1dt7 h PHE 70 Ca -0.48 0.05 -0.00 0.00 3.98 0.00 0.00 57.97 61.52 1dt7 h PHE 70 Cb 1.33 -0.02 -0.00 0.00 2.56 0.00 0.00 35.95 39.81 1dt7 h PHE 70 CO 0.19 -0.24 0.00 0.37 -2.02 0.00 0.00 178.31 176.60 1dt7 h GLN 71 N 0.19 0.00 -0.91 1.11 4.15 -1.94 -1.41 115.11 116.31 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 1.22 -0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.87 1dt7 h GLN 71 CO -0.68 0.11 0.50 0.93 -1.93 0.00 0.00 178.83 177.76 1dt7 h GLU 72 N -0.10 1.27 0.00 1.69 5.08 -0.88 -1.82 114.58 119.82 1dt7 h GLU 72 Ca 0.00 -0.15 -0.08 0.00 -1.00 0.00 0.00 59.36 58.13 1dt7 h GLU 72 Cb 0.11 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 1dt7 h GLU 72 CO -0.00 0.92 -0.40 0.35 -1.00 0.00 0.00 179.01 178.88 1dt7 h PHE 73 N 1.27 0.00 -0.96 4.33 3.04 -0.69 -2.81 116.94 121.12 1dt7 h PHE 73 Ca 0.32 0.00 0.01 0.00 3.98 0.00 0.00 57.97 62.28 1dt7 h PHE 73 Cb 0.02 0.00 -0.05 0.00 2.56 0.00 0.00 35.95 38.48 1dt7 h PHE 73 CO 0.01 0.40 0.64 0.52 -2.02 0.00 0.00 178.31 177.85 1dt7 h MET 74 N 0.00 1.26 -0.12 1.11 2.86 -0.36 -1.72 114.93 117.96 1dt7 h MET 74 Ca -0.00 -0.08 -0.12 0.00 -2.06 0.00 0.00 59.70 57.44 1dt7 h MET 74 Cb 0.74 -0.29 -0.01 0.00 0.06 0.00 0.00 31.60 32.10 1dt7 h MET 74 CO 0.05 0.84 -0.47 0.00 1.06 0.00 0.00 176.91 178.39 1dt7 h ALA 75 N 1.40 0.97 -1.00 6.32 0.00 -1.41 -3.02 119.26 122.52 1dt7 h ALA 75 Ca 0.35 -0.46 0.01 0.00 0.00 0.00 0.00 54.91 54.81 1dt7 h ALA 75 Cb -0.15 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.50 1dt7 h ALA 75 CO -0.08 0.64 0.66 0.35 0.00 0.00 0.00 179.25 180.83 1dt7 h PHE 76 N 0.25 1.26 -0.29 0.00 3.57 -1.27 -2.20 116.94 118.26 1dt7 h PHE 76 Ca 0.01 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.47 1dt7 h PHE 76 Cb 0.93 -0.43 -0.02 0.00 2.79 0.00 0.00 35.95 39.22 1dt7 h PHE 76 CO 0.02 0.80 -0.14 0.28 -2.23 0.00 0.00 178.31 177.04 1dt7 h VAL 77 N 1.36 1.23 -0.41 1.41 2.07 -1.37 -2.35 116.25 118.19 1dt7 h VAL 77 Ca 0.37 -1.05 -0.14 0.00 0.82 0.00 0.00 66.70 66.70 1dt7 h VAL 77 Cb -0.16 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 1dt7 h VAL 77 CO -0.08 0.34 -0.31 0.77 0.02 0.00 0.00 177.57 178.32 1dt7 h SER 78 N 0.45 0.96 -0.23 0.57 4.64 -1.36 -1.88 113.55 116.70 1dt7 h SER 78 Ca 0.08 -0.40 -0.05 0.00 -0.47 0.00 0.00 61.79 60.95 1dt7 h SER 78 Cb 0.51 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.33 1dt7 h SER 78 CO 0.03 1.18 -0.06 0.24 -0.87 0.00 0.00 176.83 177.35 1dt7 h MET 79 N 0.77 0.44 -0.19 4.77 2.07 -1.18 -2.80 114.93 118.81 1dt7 h MET 79 Ca 0.08 -0.17 -0.14 0.00 -2.07 0.00 0.00 59.70 57.40 1dt7 h MET 79 Cb 0.88 -0.02 -0.01 0.00 -1.87 0.00 0.00 31.60 30.58 1dt7 h MET 79 CO 0.08 0.68 -0.47 0.28 1.07 0.00 0.00 176.91 178.55 1dt7 h VAL 80 N 0.17 1.32 -1.00 -2.22 2.07 -1.45 -2.92 116.25 112.21 1dt7 h VAL 80 Ca 0.06 -1.68 0.01 0.00 0.82 0.00 0.00 66.70 65.90 1dt7 h VAL 80 Cb 0.52 1.68 -0.05 0.00 -1.52 0.00 0.00 31.29 31.93 1dt7 h VAL 80 CO 0.02 0.52 0.66 0.74 0.02 0.00 0.00 177.57 179.53 1dt7 h THR 81 N 0.40 1.26 -0.91 2.57 2.02 -1.30 0.25 112.91 117.20 1dt7 h THR 81 Ca 0.02 -0.48 0.13 0.00 0.77 0.00 0.00 66.41 66.86 1dt7 h THR 81 Cb 0.98 -0.21 -0.07 0.00 -1.74 0.00 0.00 68.15 67.11 1dt7 h THR 81 CO 0.09 0.25 0.58 0.74 0.37 0.00 0.00 175.52 177.55 1dt7 h THR 82 N 1.36 0.86 -1.01 3.16 2.02 -1.30 0.22 112.91 118.23 1dt7 h THR 82 Ca 0.37 -0.26 0.01 0.00 0.77 0.00 0.00 66.41 67.29 1dt7 h THR 82 Cb -0.15 0.03 -0.05 0.00 -1.74 0.00 0.00 68.15 66.24 1dt7 h THR 82 CO -0.08 0.14 0.66 0.00 0.37 0.00 0.00 175.52 176.61 1dt7 h ALA 83 N 1.58 1.28 -0.86 6.16 0.00 -0.95 -1.80 119.26 124.67 1dt7 h ALA 83 Ca 0.45 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.30 1dt7 h ALA 83 Cb 0.64 -0.41 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 1dt7 h ALA 83 CO -0.22 0.67 0.56 0.00 0.00 0.00 0.00 179.25 180.26 1dt7 h HIS 85 N 1.17 1.23 -0.80 0.00 6.17 -0.95 2.01 115.15 123.97 1dt7 h HIS 85 Ca 0.31 0.03 -0.02 0.00 0.71 0.00 0.00 60.37 61.41 1dt7 h HIS 85 Cb -0.11 -0.42 -0.04 0.00 2.52 0.00 0.00 27.41 29.36 1dt7 h HIS 85 CO 0.00 0.77 0.43 1.49 0.71 0.00 0.00 177.93 181.34 1dt7 h GLU 86 N 1.32 1.12 0.10 5.26 4.81 -1.15 -2.72 114.58 123.32 1dt7 h GLU 86 Ca 0.36 -0.13 -0.30 0.00 -0.13 0.00 0.00 59.36 59.16 1dt7 h GLU 86 Cb -0.15 -0.22 0.03 0.00 0.63 0.00 0.00 28.75 29.04 1dt7 h GLU 86 CO -0.08 0.83 -1.22 0.74 -0.73 0.00 0.00 179.01 178.55 1dt7 h PHE 87 N 1.11 1.03 -1.27 0.92 0.04 -0.80 -3.32 116.94 114.66 1dt7 h PHE 87 Ca 0.28 -0.64 -0.75 0.00 2.80 0.00 0.00 57.97 59.67 1dt7 h PHE 87 Cb 0.04 -0.09 -0.14 0.00 2.20 0.00 0.00 35.95 37.96 1dt7 h PHE 87 CO 0.00 1.47 2.27 0.34 -0.60 0.00 0.00 178.31 181.80 1dt7 n PHE 88 N -3.80 2.64 -2.28 -0.55 -0.00 0.67 -4.93 117.46 109.21 1dt7 n PHE 88 Ca -0.13 -2.80 -0.42 0.00 -0.00 0.00 0.00 57.45 54.10 1dt7 n PHE 88 Cb 0.97 -1.81 -0.03 0.00 -0.00 0.00 0.00 39.48 38.62 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 -1.13 3.31 0.28 -4.13 2.12 -1.11 -4.73 118.70 113.31 1dt7 s GLU 89 Ca 0.51 0.77 -0.04 0.00 0.36 0.00 0.00 54.97 56.57 1dt7 s GLU 89 Cb 0.17 -4.13 0.36 0.00 0.26 0.00 0.00 34.13 30.78 1dt7 s GLU 89 CO -0.08 -1.90 1.95 1.25 -0.54 0.00 0.00 175.26 175.94 1dt7 h HIS 90 N 11.68 1.15 0.00 5.30 -0.00 -1.92 -3.52 115.15 127.84 1dt7 h HIS 90 Ca -0.28 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.12 1dt7 h HIS 90 Cb 1.12 -0.39 0.00 0.00 -0.00 0.00 0.00 27.41 28.14 1dt7 h HIS 90 CO 1.00 0.72 0.00 -1.91 -0.00 0.00 0.00 177.93 177.75