#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 -4.76 0.00 7.83 3.41 -1.26 -4.79 113.62 114.06 1dt7 n SER 1 Ca 0.00 -0.49 0.12 0.00 -0.26 0.00 0.00 58.87 58.24 1dt7 n SER 1 Cb 0.00 -3.85 0.68 0.00 -0.26 0.00 0.00 64.21 60.78 1dt7 n SER 1 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1dt7 n GLU 2 N -4.15 0.66 0.32 4.33 1.02 -1.26 -3.77 120.64 117.79 1dt7 n GLU 2 Ca -0.02 0.01 0.09 0.00 -0.02 0.00 0.00 57.16 57.23 1dt7 n GLU 2 Cb 0.56 -1.50 0.49 0.00 -0.02 0.00 0.00 31.44 30.97 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 -0.55 -4.62 6.46 -1.99 0.42 115.31 115.04 1dt7 h LEU 3 Ca 0.00 0.00 -0.12 0.00 -0.12 0.00 0.00 57.88 57.64 1dt7 h LEU 3 Cb 0.04 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 39.96 1dt7 h LEU 3 CO 0.00 0.00 -0.11 -0.33 -0.62 0.00 0.00 178.44 177.38 1dt7 h GLU 4 N 0.00 1.04 0.07 1.25 5.08 -1.97 -1.96 114.58 118.10 1dt7 h GLU 4 Ca 0.00 -0.39 -0.27 0.00 -1.00 0.00 0.00 59.36 57.70 1dt7 h GLU 4 Cb 1.14 -0.06 0.02 0.00 0.50 0.00 0.00 28.75 30.34 1dt7 h GLU 4 CO 0.00 1.08 -1.14 0.87 -1.00 0.00 0.00 179.01 178.82 1dt7 h LYS 5 N 0.92 0.53 -0.29 2.33 1.57 -0.48 -3.10 116.57 118.05 1dt7 h LYS 5 Ca 0.14 -0.67 -0.19 0.00 -1.87 0.00 0.00 60.65 58.06 1dt7 h LYS 5 Cb 0.69 0.21 0.00 0.00 0.08 0.00 0.00 32.23 33.21 1dt7 h LYS 5 CO 0.05 1.28 -0.55 0.00 -0.57 0.00 0.00 179.45 179.66 1dt7 h ALA 6 N 0.46 0.46 -0.37 3.86 0.00 -1.43 -1.34 119.26 120.91 1dt7 h ALA 6 Ca -0.15 -0.52 -0.17 0.00 0.00 0.00 0.00 54.91 54.08 1dt7 h ALA 6 Cb 1.81 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.52 1dt7 h ALA 6 CO 0.21 0.68 -0.41 0.52 0.00 0.00 0.00 179.25 180.25 1dt7 h MET 7 N 0.68 0.93 -0.07 0.00 2.86 -1.48 -2.14 114.93 115.71 1dt7 h MET 7 Ca 0.01 -0.51 -0.13 0.00 -2.06 0.00 0.00 59.70 57.01 1dt7 h MET 7 Cb 1.16 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.83 1dt7 h MET 7 CO 0.12 1.16 -0.55 0.28 1.06 0.00 0.00 176.91 178.98 1dt7 h VAL 8 N 0.75 1.37 -0.05 -2.22 2.07 -1.55 -3.16 116.25 113.46 1dt7 h VAL 8 Ca 0.05 -1.87 -0.21 0.00 0.82 0.00 0.00 66.70 65.50 1dt7 h VAL 8 Cb 1.01 1.93 0.00 0.00 -1.52 0.00 0.00 31.29 32.72 1dt7 h VAL 8 CO 0.10 0.55 -0.83 0.00 0.02 0.00 0.00 177.57 177.41 1dt7 h ALA 9 N 1.26 0.45 -0.62 1.67 0.00 -1.13 -2.05 119.26 118.84 1dt7 h ALA 9 Ca -0.00 -0.65 0.01 0.00 0.00 0.00 0.00 54.91 54.27 1dt7 h ALA 9 Cb 1.03 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 1dt7 h ALA 9 CO 0.08 0.77 0.41 1.25 0.00 0.00 0.00 179.25 181.77 1dt7 h LEU 10 N 0.29 0.72 -0.54 0.00 7.12 -1.36 -2.11 115.31 119.43 1dt7 h LEU 10 Ca -0.06 -0.02 -0.14 0.00 0.13 0.00 0.00 57.88 57.79 1dt7 h LEU 10 Cb 1.44 -0.18 -0.01 0.00 -0.53 0.00 0.00 40.66 41.38 1dt7 h LEU 10 CO 0.15 0.52 -0.36 0.40 -0.13 0.00 0.00 178.44 179.03 1dt7 h ILE 11 N 0.84 1.28 -0.59 4.05 2.04 -1.55 -3.16 117.51 120.43 1dt7 h ILE 11 Ca 0.23 -1.52 0.00 0.00 1.00 0.00 0.00 64.86 64.57 1dt7 h ILE 11 Cb -0.09 1.40 -0.03 0.00 -0.74 0.00 0.00 36.82 37.35 1dt7 h ILE 11 CO -0.05 0.50 0.37 0.44 0.00 0.00 0.00 178.15 179.41 1dt7 h ASP 12 N 0.65 0.69 -0.55 1.72 3.32 -0.72 -2.49 116.42 119.05 1dt7 h ASP 12 Ca 0.06 -0.04 -0.11 0.00 0.02 0.00 0.00 57.03 56.96 1dt7 h ASP 12 Cb 0.90 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 40.26 1dt7 h ASP 12 CO 0.08 0.52 -0.10 1.62 -1.72 0.00 0.00 179.24 179.64 1dt7 h VAL 13 N 0.79 1.27 -1.01 -1.35 3.04 -1.47 -2.71 116.25 114.81 1dt7 h VAL 13 Ca 0.21 -1.27 0.04 0.00 -1.01 0.00 0.00 66.70 64.67 1dt7 h VAL 13 Cb -0.05 0.95 -0.06 0.00 -2.01 0.00 0.00 31.29 30.12 1dt7 h VAL 13 CO -0.04 0.45 0.66 0.15 -1.01 0.00 0.00 177.57 177.78 1dt7 h PHE 14 N 0.92 1.24 -0.70 3.17 3.04 -1.48 -1.70 116.94 121.44 1dt7 h PHE 14 Ca 0.14 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.13 1dt7 h PHE 14 Cb 0.67 -0.41 -0.03 0.00 2.56 0.00 0.00 35.95 38.74 1dt7 h PHE 14 CO 0.05 0.71 0.45 1.25 -2.02 0.00 0.00 178.31 178.75 1dt7 h HIS 15 N 1.28 0.89 -0.94 0.41 2.76 -1.13 -1.36 115.15 117.06 1dt7 h HIS 15 Ca 0.40 0.02 0.01 0.00 -2.20 0.00 0.00 60.37 58.60 1dt7 h HIS 15 Cb -0.00 -0.30 -0.05 0.00 1.55 0.00 0.00 27.41 28.61 1dt7 h HIS 15 CO -0.00 0.57 0.63 1.96 -1.30 0.00 0.00 177.93 179.79 1dt7 h GLN 16 N 0.95 1.24 0.07 5.26 1.08 -1.21 -2.69 115.11 119.83 1dt7 h GLN 16 Ca 0.26 -0.07 -0.30 0.00 -1.45 0.00 0.00 58.65 57.08 1dt7 h GLN 16 Cb -0.09 -0.28 -0.02 0.00 -0.05 0.00 0.00 27.48 27.04 1dt7 h GLN 16 CO -0.05 0.82 -1.62 1.88 -0.95 0.00 0.00 178.83 178.91 1dt7 h TYR 17 N 1.28 0.29 -1.00 2.96 -1.99 -1.49 -3.32 116.97 113.69 1dt7 h TYR 17 Ca 0.35 -0.21 0.01 0.00 2.00 0.00 0.00 58.73 60.88 1dt7 h TYR 17 Cb -0.14 -0.01 -0.05 0.00 2.00 0.00 0.00 36.73 38.52 1dt7 h TYR 17 CO -0.01 1.31 0.66 1.03 -0.00 0.00 0.00 178.16 181.16 1dt7 h SER 18 N 0.04 1.16 0.50 3.88 0.87 -1.19 0.38 113.55 119.19 1dt7 h SER 18 Ca -0.27 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.26 1dt7 h SER 18 Cb 2.00 -0.29 0.00 0.00 -0.44 0.00 0.00 62.40 63.67 1dt7 h SER 18 CO 0.12 0.84 0.00 0.61 -0.53 0.00 0.00 176.83 177.87 1dt7 n GLY 19 N -1.37 -1.07 0.15 5.77 0.00 -1.02 -3.36 105.19 104.29 1dt7 n GLY 19 Ca 0.12 -0.09 -0.09 0.00 0.00 0.00 0.00 46.02 45.96 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 0.44 -6.22 1.61 2.43 -1.01 -3.44 114.38 108.19 1dt7 h ARG 20 Ca 0.00 -0.03 -0.58 0.00 -0.81 0.00 0.00 59.98 58.57 1dt7 h ARG 20 Cb 0.25 -0.10 -0.11 0.00 -0.42 0.00 0.00 29.97 29.59 1dt7 h ARG 20 CO 0.00 0.29 -0.68 -1.21 -1.51 0.00 0.00 179.97 176.86 1dt7 s GLU 21 N -6.17 2.11 0.59 0.20 0.41 -1.21 -4.97 118.70 109.65 1dt7 s GLU 21 Ca -0.13 -1.50 0.15 0.00 -0.41 0.00 0.00 54.97 53.07 1dt7 s GLU 21 Cb 0.10 -2.06 0.80 0.00 -1.78 0.00 0.00 34.13 31.19 1dt7 s GLU 21 CO 0.71 0.36 1.41 0.78 -0.49 0.00 0.00 175.26 178.04 1dt7 h GLY 22 N 2.06 0.00 -5.01 -1.39 0.00 -1.85 -3.05 103.07 93.84 1dt7 h GLY 22 Ca -0.43 0.00 -0.64 0.00 0.00 0.00 0.00 47.33 46.26 1dt7 h GLY 22 CO 0.60 0.00 3.70 1.22 0.00 0.00 0.00 176.54 182.06 1dt7 n ASP 23 N -2.54 8.47 -0.31 0.19 8.00 -1.26 -4.58 116.55 124.52 1dt7 n ASP 23 Ca -0.01 -2.55 -0.05 0.00 0.71 0.00 0.00 54.79 52.89 1dt7 n ASP 23 Cb 0.62 -1.53 0.08 0.00 -0.02 0.00 0.00 41.12 40.27 1dt7 n ASP 23 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1dt7 h LYS 24 N 5.04 1.23 0.00 -1.24 3.64 -1.55 -2.46 116.57 121.23 1dt7 h LYS 24 Ca 0.84 -0.18 0.00 0.00 -1.27 0.00 0.00 60.65 60.04 1dt7 h LYS 24 Cb 0.30 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 1dt7 h LYS 24 CO 1.73 0.95 0.00 0.45 -2.27 0.00 0.00 179.45 180.31 1dt7 h HIS 25 N 1.22 0.00 -4.10 1.91 3.86 -1.86 -3.44 115.15 112.74 1dt7 h HIS 25 Ca 0.29 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.37 1dt7 h HIS 25 Cb 0.13 0.00 -0.17 0.00 1.06 0.00 0.00 27.41 28.43 1dt7 h HIS 25 CO 0.02 0.00 -0.65 0.15 0.86 0.00 0.00 177.93 178.30 1dt7 s LYS 26 N -3.18 0.53 -0.14 2.45 1.02 -0.92 -4.20 119.74 115.29 1dt7 s LYS 26 Ca 0.08 -0.98 -0.04 0.00 0.02 0.00 0.00 55.97 55.06 1dt7 s LYS 26 Cb 0.08 0.19 -0.03 0.00 -0.52 0.00 0.00 37.83 37.55 1dt7 s LYS 26 CO 0.64 -0.10 -0.02 -0.51 -0.92 0.00 0.00 175.35 174.44 1dt7 s LEU 27 N -2.41 3.38 0.08 3.17 2.01 -0.82 -4.55 118.68 119.54 1dt7 s LEU 27 Ca -0.01 -0.05 0.02 0.00 0.01 0.00 0.00 54.13 54.10 1dt7 s LEU 27 Cb 0.02 -1.81 -0.04 0.00 0.01 0.00 0.00 46.19 44.37 1dt7 s LEU 27 CO -0.07 0.21 0.14 -0.54 1.01 0.00 0.00 176.35 177.11 1dt7 s LYS 28 N 0.10 3.14 0.59 1.70 1.02 -1.26 -0.96 119.74 124.07 1dt7 s LYS 28 Ca 0.01 -0.59 0.33 0.00 0.02 0.00 0.00 55.97 55.73 1dt7 s LYS 28 Cb -0.13 -2.86 1.21 0.00 -0.52 0.00 0.00 37.83 35.52 1dt7 s LYS 28 CO 0.02 0.58 1.47 1.57 -0.92 0.00 0.00 175.35 178.08 1dt7 h LYS 29 N 3.12 0.00 -0.00 1.68 2.10 -1.90 1.01 116.57 122.58 1dt7 h LYS 29 Ca -0.46 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.19 1dt7 h LYS 29 Cb 1.16 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.49 1dt7 h LYS 29 CO 0.70 0.00 -0.01 1.03 -2.00 0.00 0.00 179.45 179.17 1dt7 h SER 30 N 0.00 0.01 0.14 7.07 0.87 -1.92 -2.37 113.55 117.35 1dt7 h SER 30 Ca 0.55 -0.79 -0.10 0.00 -1.23 0.00 0.00 61.79 60.22 1dt7 h SER 30 Cb 2.81 -0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 64.76 1dt7 h SER 30 CO -0.01 0.80 -0.35 -0.08 -0.53 0.00 0.00 176.83 176.66 1dt7 h GLU 31 N -0.78 0.30 -0.89 2.24 4.81 0.34 -2.45 114.58 118.15 1dt7 h GLU 31 Ca -0.00 -0.13 0.01 0.00 -0.13 0.00 0.00 59.36 59.11 1dt7 h GLU 31 Cb 0.80 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.13 1dt7 h GLU 31 CO 0.00 0.62 0.59 1.25 -0.73 0.00 0.00 179.01 180.74 1dt7 h LEU 32 N 0.26 1.02 -1.01 1.64 5.85 0.22 -1.71 115.31 121.58 1dt7 h LEU 32 Ca 0.03 -0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.78 1dt7 h LEU 32 Cb 0.75 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 41.46 1dt7 h LEU 32 CO 0.06 0.74 0.66 0.50 -0.34 0.00 0.00 178.44 180.05 1dt7 h LYS 33 N 1.20 1.18 -0.50 1.25 1.63 -0.92 -2.02 116.57 118.40 1dt7 h LYS 33 Ca 0.32 -0.07 -0.13 0.00 -0.85 0.00 0.00 60.65 59.92 1dt7 h LYS 33 Cb -0.14 -0.27 -0.01 0.00 -0.60 0.00 0.00 32.23 31.21 1dt7 h LYS 33 CO -0.07 0.78 -0.19 0.93 -3.45 0.00 0.00 179.45 177.45 1dt7 h GLU 34 N 1.21 1.01 -0.00 1.90 4.39 -1.31 0.66 114.58 122.45 1dt7 h GLU 34 Ca 0.42 -0.42 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1dt7 h GLU 34 Cb 0.12 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 28.73 1dt7 h GLU 34 CO -0.16 1.10 -0.00 1.25 -1.16 0.00 0.00 179.01 180.05 1dt7 h LEU 35 N 0.88 -0.00 -0.02 1.33 7.12 -1.05 -1.54 115.31 122.03 1dt7 h LEU 35 Ca 0.12 0.00 -0.08 0.00 0.13 0.00 0.00 57.88 58.05 1dt7 h LEU 35 Cb 0.77 0.00 0.01 0.00 -0.53 0.00 0.00 40.66 40.91 1dt7 h LEU 35 CO 0.06 -0.00 -0.31 0.40 -0.13 0.00 0.00 178.44 178.47 1dt7 h ILE 36 N -0.00 1.49 -0.58 4.05 2.04 -1.29 -1.37 117.51 121.86 1dt7 h ILE 36 Ca 0.00 -1.88 -0.11 0.00 1.00 0.00 0.00 64.86 63.87 1dt7 h ILE 36 Cb 0.00 2.61 -0.02 0.00 -0.74 0.00 0.00 36.82 38.68 1dt7 h ILE 36 CO -0.00 0.53 -0.07 -1.13 0.00 0.00 0.00 178.15 177.48 1dt7 h ASN 37 N -0.36 1.05 0.03 1.72 -0.00 0.32 -2.99 115.58 115.36 1dt7 h ASN 37 Ca -0.03 -0.33 -0.37 0.00 -0.00 0.00 0.00 56.30 55.56 1dt7 h ASN 37 Cb 1.02 -0.29 -0.07 0.00 -0.00 0.00 0.00 38.32 38.99 1dt7 h ASN 37 CO 0.06 1.14 -2.38 -3.20 -0.00 0.00 0.00 177.43 173.05 1dt7 n ASN 38 N -4.16 0.78 0.18 1.15 4.05 -0.58 -3.95 115.26 112.73 1dt7 n ASN 38 Ca 0.02 -0.02 0.12 0.00 0.45 0.00 0.00 54.58 55.15 1dt7 n ASN 38 Cb 0.38 0.41 0.16 0.00 1.23 0.00 0.00 39.78 41.96 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 0.00 0.00 -0.43 1.20 4.22 -1.27 -3.28 114.58 115.03 1dt7 h GLU 39 Ca -0.54 0.00 -0.28 0.00 0.08 0.00 0.00 59.36 58.62 1dt7 h GLU 39 Cb 2.11 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 31.18 1dt7 h GLU 39 CO -0.01 0.00 -0.31 1.28 -2.18 0.00 0.00 179.01 177.80 1dt7 n LEU 40 N -2.87 4.29 -0.38 1.64 4.77 -1.13 -4.70 117.00 118.63 1dt7 n LEU 40 Ca 0.03 -4.12 -0.02 0.00 -0.03 0.00 0.00 56.01 51.87 1dt7 n LEU 40 Cb 0.52 -0.56 0.11 0.00 -2.33 0.00 0.00 43.42 41.16 1dt7 n LEU 40 CO 0.35 1.55 1.29 0.28 -1.33 0.00 0.00 177.39 179.53 1dt7 h SER 41 N 1.39 1.14 0.00 -1.43 0.02 -1.68 -3.24 113.55 109.75 1dt7 h SER 41 Ca 0.24 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 1dt7 h SER 41 Cb 1.41 -0.29 0.00 0.00 0.14 0.00 0.00 62.40 63.66 1dt7 h SER 41 CO 0.49 0.83 -0.26 0.00 -1.14 0.00 0.00 176.83 176.75 1dt7 n HIS 42 N -4.39 0.00 -0.15 3.45 1.44 -1.26 -4.63 115.22 109.68 1dt7 n HIS 42 Ca 0.12 0.00 -0.09 0.00 -2.01 0.00 0.00 57.72 55.74 1dt7 n HIS 42 Cb 0.01 -0.01 -0.00 0.00 0.12 0.00 0.00 29.99 30.11 1dt7 n HIS 42 CO 0.00 0.00 0.00 0.35 -2.81 0.00 0.00 176.34 173.88 1dt7 h PHE 43 N 0.00 0.73 -2.97 -1.40 3.04 -1.83 -3.47 116.94 111.03 1dt7 h PHE 43 Ca 0.00 -0.08 0.01 0.00 3.98 0.00 0.00 57.97 61.88 1dt7 h PHE 43 Cb 0.07 -0.21 -0.01 0.00 2.56 0.00 0.00 35.95 38.36 1dt7 h PHE 43 CO 0.00 0.67 0.28 -0.48 -2.02 0.00 0.00 178.31 176.76 1dt7 s LEU 44 N -9.65 -0.06 -0.73 0.59 0.05 -1.23 -5.06 118.68 102.59 1dt7 s LEU 44 Ca -0.13 -0.99 -0.25 0.00 0.05 0.00 0.00 54.13 52.81 1dt7 s LEU 44 Cb 0.11 2.79 -0.15 0.00 -2.05 0.00 0.00 46.19 46.88 1dt7 s LEU 44 CO 0.78 -1.58 2.45 1.21 -0.55 0.00 0.00 176.35 178.66 1dt7 n GLU 45 N -0.52 0.57 -0.19 1.48 4.07 -1.26 -4.67 120.64 120.13 1dt7 n GLU 45 Ca -0.07 -0.20 -0.18 0.00 -0.06 0.00 0.00 57.16 56.65 1dt7 n GLU 45 Cb 0.60 -2.78 0.17 0.00 -0.06 0.00 0.00 31.44 29.38 1dt7 n GLU 45 CO 0.00 0.00 0.00 -0.85 -0.06 0.00 0.00 177.13 176.22 1dt7 n GLU 46 N 8.43 -3.60 -3.52 5.31 0.28 -1.25 -4.98 120.64 121.31 1dt7 n GLU 46 Ca 0.50 -0.89 -0.34 0.00 -0.16 0.00 0.00 57.16 56.27 1dt7 n GLU 46 Cb 0.36 -1.12 -0.05 0.00 1.43 0.00 0.00 31.44 32.05 1dt7 n GLU 46 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1dt7 s ILE 47 N -1.72 5.03 -0.03 3.84 -1.09 -1.26 -4.99 121.20 120.99 1dt7 s ILE 47 Ca 0.40 0.45 0.06 0.00 -2.23 0.00 0.00 60.65 59.33 1dt7 s ILE 47 Cb -0.07 -3.65 -0.10 0.00 -1.58 0.00 0.00 42.46 37.06 1dt7 s ILE 47 CO 0.34 0.16 0.10 0.29 -1.23 0.00 0.00 174.94 174.60 1dt7 n LYS 48 N 0.53 1.20 -4.19 2.79 4.76 -1.26 -4.87 118.16 117.12 1dt7 n LYS 48 Ca -0.05 -0.04 -0.16 0.00 -2.87 0.00 0.00 58.31 55.20 1dt7 n LYS 48 Cb 0.52 -1.16 -0.11 0.00 -1.84 0.00 0.00 35.03 32.44 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 -2.36 0.89 0.42 1.97 0.41 -1.26 -5.02 118.70 113.74 1dt7 s GLU 49 Ca -0.03 -1.16 0.21 0.00 -0.41 0.00 0.00 54.97 53.58 1dt7 s GLU 49 Cb 0.03 -0.65 0.90 0.00 -1.78 0.00 0.00 34.13 32.63 1dt7 s GLU 49 CO 0.28 0.11 1.83 1.96 -0.49 0.00 0.00 175.26 178.95 1dt7 h GLN 50 N 3.61 0.00 -0.98 1.61 1.08 -2.01 -3.07 115.11 115.35 1dt7 h GLN 50 Ca -0.38 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.82 1dt7 h GLN 50 Cb 1.19 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 28.57 1dt7 h GLN 50 CO 0.51 0.29 0.63 1.05 -0.95 0.00 0.00 178.83 180.36 1dt7 h GLU 51 N 0.00 1.31 -0.97 1.46 4.11 -2.00 -1.68 114.58 116.81 1dt7 h GLU 51 Ca -0.00 -0.10 0.00 0.00 0.07 0.00 0.00 59.36 59.33 1dt7 h GLU 51 Cb 0.72 -0.29 -0.05 0.00 0.50 0.00 0.00 28.75 29.64 1dt7 h GLU 51 CO 0.04 0.89 0.62 0.28 0.07 0.00 0.00 179.01 180.91 1dt7 h VAL 52 N 1.34 1.26 -0.84 -1.06 2.07 -1.97 -1.47 116.25 115.59 1dt7 h VAL 52 Ca 0.36 -0.51 -0.04 0.00 0.82 0.00 0.00 66.70 67.33 1dt7 h VAL 52 Cb -0.11 -0.15 -0.04 0.00 -1.52 0.00 0.00 31.29 29.46 1dt7 h VAL 52 CO -0.07 0.26 0.38 0.58 0.02 0.00 0.00 177.57 178.74 1dt7 h VAL 53 N 1.33 1.26 -0.93 2.57 2.07 -1.44 -1.95 116.25 119.17 1dt7 h VAL 53 Ca 0.35 -0.76 -0.01 0.00 0.82 0.00 0.00 66.70 67.10 1dt7 h VAL 53 Cb -0.11 0.20 -0.04 0.00 -1.52 0.00 0.00 31.29 29.82 1dt7 h VAL 53 CO -0.07 0.32 0.53 -0.78 0.02 0.00 0.00 177.57 177.59 1dt7 h ASP 54 N 1.21 1.14 -0.78 0.57 1.82 -0.61 0.68 116.42 120.44 1dt7 h ASP 54 Ca 0.29 -0.09 -0.05 0.00 -0.39 0.00 0.00 57.03 56.79 1dt7 h ASP 54 Cb 0.15 -0.29 -0.03 0.00 0.68 0.00 0.00 39.33 39.84 1dt7 h ASP 54 CO -0.03 0.89 0.28 0.50 -1.61 0.00 0.00 179.24 179.27 1dt7 h LYS 55 N 1.29 1.19 -0.08 0.28 3.64 -0.87 -0.61 116.57 121.40 1dt7 h LYS 55 Ca 0.33 -0.23 -0.07 0.00 -1.27 0.00 0.00 60.65 59.41 1dt7 h LYS 55 Cb -0.01 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.61 1dt7 h LYS 55 CO -0.06 0.98 -0.26 0.28 -2.27 0.00 0.00 179.45 178.12 1dt7 h VAL 56 N 1.15 1.22 0.00 2.00 2.07 -0.59 -1.60 116.25 120.50 1dt7 h VAL 56 Ca 0.26 -1.06 -0.09 0.00 0.82 0.00 0.00 66.70 66.63 1dt7 h VAL 56 Cb 0.26 1.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 1dt7 h VAL 56 CO -0.02 0.31 -0.41 0.24 0.02 0.00 0.00 177.57 177.71 1dt7 h MET 57 N 0.13 0.00 -1.00 1.57 2.86 0.59 0.34 114.93 119.42 1dt7 h MET 57 Ca 0.02 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.67 1dt7 h MET 57 Cb 0.54 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.15 1dt7 h MET 57 CO 0.04 0.41 0.66 1.49 1.06 0.00 0.00 176.91 180.58 1dt7 h GLU 58 N 0.00 1.32 0.25 1.72 4.57 -0.24 3.10 114.58 125.31 1dt7 h GLU 58 Ca -0.00 -0.08 -0.34 0.00 -1.18 0.00 0.00 59.36 57.76 1dt7 h GLU 58 Cb 0.82 -0.30 0.04 0.00 -0.16 0.00 0.00 28.75 29.15 1dt7 h GLU 58 CO 0.05 0.87 -1.50 1.15 -1.18 0.00 0.00 179.01 178.40 1dt7 h THR 59 N 1.36 1.26 0.00 0.32 2.02 -1.34 -3.34 112.91 113.18 1dt7 h THR 59 Ca 0.37 -2.68 0.00 0.00 0.77 0.00 0.00 66.41 64.86 1dt7 h THR 59 Cb -0.16 3.03 0.00 0.00 -1.74 0.00 0.00 68.15 69.29 1dt7 h THR 59 CO -0.08 0.81 -0.75 -0.07 0.37 0.00 0.00 175.52 175.80 1dt7 h LEU 60 N 0.14 0.00 -5.11 2.58 -0.00 0.03 -3.38 115.31 109.58 1dt7 h LEU 60 Ca -0.27 -0.08 -0.66 0.00 -0.00 0.00 0.00 57.88 56.88 1dt7 h LEU 60 Cb 2.17 0.00 0.02 0.00 -0.00 0.00 0.00 40.66 42.85 1dt7 h LEU 60 CO 0.27 0.04 3.73 -0.67 -0.00 0.00 0.00 178.44 181.81 1dt7 n ASP 61 N -2.51 8.14 -0.05 -0.43 2.03 1.03 -4.52 116.55 120.24 1dt7 n ASP 61 Ca 0.02 -2.58 0.03 0.00 0.52 0.00 0.00 54.79 52.78 1dt7 n ASP 61 Cb 0.51 -1.54 0.38 0.00 -0.72 0.00 0.00 41.12 39.75 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 5.17 0.65 0.00 -0.67 5.08 -1.80 0.44 114.58 123.45 1dt7 h GLU 62 Ca 0.83 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 59.15 1dt7 h GLU 62 Cb 0.30 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1dt7 h GLU 62 CO 1.78 0.43 0.00 -0.25 -1.00 0.00 0.00 179.01 179.97 1dt7 n ASP 63 N -4.46 0.01 -1.92 1.42 8.00 -1.26 -4.88 116.55 113.45 1dt7 n ASP 63 Ca 0.04 0.50 -0.18 0.00 0.71 0.00 0.00 54.79 55.87 1dt7 n ASP 63 Cb 0.05 -0.50 -0.02 0.00 -0.02 0.00 0.00 41.12 40.63 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 1.10 -0.09 0.78 0.44 0.00 0.16 -4.86 105.19 102.72 1dt7 n GLY 64 Ca 0.06 -0.15 0.08 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.28 2.86 0.00 1.61 5.75 -1.26 -4.93 116.55 119.30 1dt7 n ASP 65 Ca -0.20 -1.84 0.00 0.00 -0.01 0.00 0.00 54.79 52.73 1dt7 n ASP 65 Cb 0.65 -0.18 0.00 0.00 -1.03 0.00 0.00 41.12 40.56 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 0.92 0.47 2.84 6.12 0.00 -1.26 -4.99 105.19 109.30 1dt7 n GLY 66 Ca 0.13 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.26 0.05 -0.20 1.61 2.02 -1.26 -2.71 118.70 117.95 1dt7 s GLU 67 Ca 0.00 0.05 -0.08 0.00 0.02 0.00 0.00 54.97 54.96 1dt7 s GLU 67 Cb 0.00 -0.15 -0.04 0.00 0.10 0.00 0.00 34.13 34.04 1dt7 s GLU 67 CO 0.00 -0.05 0.08 0.00 0.02 0.00 0.00 175.26 175.31 1dt7 s ASP 69 N 0.61 4.15 0.36 0.00 -1.08 -1.26 -1.95 116.67 117.49 1dt7 s ASP 69 Ca 0.04 1.25 0.11 0.00 -0.52 0.00 0.00 52.55 53.43 1dt7 s ASP 69 Cb -0.13 -1.95 0.87 0.00 -1.46 0.00 0.00 42.92 40.25 1dt7 s ASP 69 CO 0.01 -2.18 1.85 2.19 0.52 0.00 0.00 175.17 177.56 1dt7 h PHE 70 N -1.24 0.79 -0.38 -5.34 -5.15 -1.94 0.22 116.94 103.90 1dt7 h PHE 70 Ca -0.48 0.02 -0.12 0.00 -0.20 0.00 0.00 57.97 57.19 1dt7 h PHE 70 Cb 1.28 -0.25 -0.01 0.00 0.22 0.00 0.00 35.95 37.20 1dt7 h PHE 70 CO 0.42 0.25 -0.27 -0.56 -2.00 0.00 0.00 178.31 176.16 1dt7 h GLN 71 N 0.64 0.79 -0.56 6.09 3.07 -1.94 -2.20 115.11 121.01 1dt7 h GLN 71 Ca 0.48 -0.34 -0.11 0.00 0.09 0.00 0.00 58.65 58.76 1dt7 h GLN 71 Cb 0.86 -0.02 -0.02 0.00 0.08 0.00 0.00 27.48 28.38 1dt7 h GLN 71 CO -0.23 0.97 -0.08 0.93 0.09 0.00 0.00 178.83 180.51 1dt7 h GLU 72 N 0.68 1.04 -0.27 0.06 5.08 -0.97 -2.71 114.58 117.49 1dt7 h GLU 72 Ca 0.08 -0.37 -0.06 0.00 -1.00 0.00 0.00 59.36 58.01 1dt7 h GLU 72 Cb 0.79 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.96 1dt7 h GLU 72 CO 0.07 1.07 -0.10 0.35 -1.00 0.00 0.00 179.01 179.39 1dt7 h PHE 73 N 0.92 0.46 -0.97 4.33 3.57 -0.97 -2.77 116.94 121.52 1dt7 h PHE 73 Ca 0.15 -0.06 0.01 0.00 3.53 0.00 0.00 57.97 61.60 1dt7 h PHE 73 Cb 0.65 -0.13 -0.05 0.00 2.79 0.00 0.00 35.95 39.21 1dt7 h PHE 73 CO 0.05 0.53 0.65 0.52 -2.23 0.00 0.00 178.31 177.83 1dt7 h MET 74 N 0.41 1.27 -0.04 1.11 2.86 -1.06 -2.35 114.93 117.13 1dt7 h MET 74 Ca 0.08 -0.08 -0.11 0.00 -2.06 0.00 0.00 59.70 57.54 1dt7 h MET 74 Cb 0.43 -0.29 -0.01 0.00 0.06 0.00 0.00 31.60 31.79 1dt7 h MET 74 CO 0.02 0.84 -0.48 0.00 1.06 0.00 0.00 176.91 178.36 1dt7 h ALA 75 N 1.40 1.14 0.00 6.32 0.00 -1.44 -2.76 119.26 123.91 1dt7 h ALA 75 Ca 0.36 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1dt7 h ALA 75 Cb -0.14 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 1dt7 h ALA 75 CO -0.08 0.61 -0.04 0.35 0.00 0.00 0.00 179.25 180.09 1dt7 h PHE 76 N 0.08 0.00 0.04 0.00 3.57 -1.41 -2.88 116.94 116.34 1dt7 h PHE 76 Ca 0.00 0.00 -0.23 0.00 3.53 0.00 0.00 57.97 61.27 1dt7 h PHE 76 Cb 0.87 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.59 1dt7 h PHE 76 CO 0.01 0.04 -1.08 0.28 -2.23 0.00 0.00 178.31 175.32 1dt7 h VAL 77 N 0.00 1.64 -0.37 1.41 2.07 -1.36 -2.84 116.25 116.81 1dt7 h VAL 77 Ca -0.00 -3.31 -0.16 0.00 0.82 0.00 0.00 66.70 64.05 1dt7 h VAL 77 Cb 0.54 2.88 -0.01 0.00 -1.52 0.00 0.00 31.29 33.19 1dt7 h VAL 77 CO 0.01 0.95 -0.39 0.77 0.02 0.00 0.00 177.57 178.93 1dt7 h SER 78 N 0.02 0.97 -0.26 0.57 4.64 -1.50 -1.90 113.55 116.10 1dt7 h SER 78 Ca -0.05 -0.47 -0.15 0.00 -0.47 0.00 0.00 61.79 60.64 1dt7 h SER 78 Cb 1.84 -0.27 -0.00 0.00 -0.31 0.00 0.00 62.40 63.65 1dt7 h SER 78 CO 0.15 1.25 -0.44 0.00 -0.87 0.00 0.00 176.83 176.92 1dt7 h MET 79 N 0.72 0.76 -0.75 4.77 -0.00 -1.62 -2.47 114.93 116.34 1dt7 h MET 79 Ca 0.06 -0.47 -0.05 0.00 -0.00 0.00 0.00 59.70 59.24 1dt7 h MET 79 Cb 0.98 0.05 -0.03 0.00 -0.00 0.00 0.00 31.60 32.60 1dt7 h MET 79 CO 0.09 1.10 0.28 0.28 -0.00 0.00 0.00 176.91 178.66 1dt7 h VAL 80 N 0.50 1.26 -0.71 -0.10 2.07 -1.51 -1.82 116.25 115.94 1dt7 h VAL 80 Ca 0.02 -0.83 0.01 0.00 0.82 0.00 0.00 66.70 66.72 1dt7 h VAL 80 Cb 1.04 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 31.15 1dt7 h VAL 80 CO 0.10 0.33 0.47 0.74 0.02 0.00 0.00 177.57 179.23 1dt7 h THR 81 N 1.10 1.18 -0.99 2.57 2.02 -1.26 -0.49 112.91 117.04 1dt7 h THR 81 Ca 0.25 -0.33 0.17 0.00 0.77 0.00 0.00 66.41 67.27 1dt7 h THR 81 Cb 0.24 0.14 -0.09 0.00 -1.74 0.00 0.00 68.15 66.69 1dt7 h THR 81 CO -0.02 0.18 0.61 0.74 0.37 0.00 0.00 175.52 177.40 1dt7 h THR 82 N 0.96 0.77 -0.92 3.16 2.02 -0.84 0.30 112.91 118.35 1dt7 h THR 82 Ca 0.26 -0.27 -0.01 0.00 0.77 0.00 0.00 66.41 67.16 1dt7 h THR 82 Cb -0.11 -0.08 -0.04 0.00 -1.74 0.00 0.00 68.15 66.18 1dt7 h THR 82 CO -0.06 0.14 0.52 0.00 0.37 0.00 0.00 175.52 176.50 1dt7 h ALA 83 N 1.61 1.18 -0.89 6.16 0.00 -1.06 -2.33 119.26 123.93 1dt7 h ALA 83 Ca 0.54 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.33 1dt7 h ALA 83 Cb 0.82 -0.37 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 1dt7 h ALA 83 CO -0.32 0.67 0.59 0.00 0.00 0.00 0.00 179.25 180.19 1dt7 h HIS 85 N 1.20 1.20 -1.00 0.00 6.17 -0.96 1.37 115.15 123.13 1dt7 h HIS 85 Ca 0.32 0.03 0.01 0.00 0.71 0.00 0.00 60.37 61.45 1dt7 h HIS 85 Cb -0.14 -0.39 -0.05 0.00 2.52 0.00 0.00 27.41 29.35 1dt7 h HIS 85 CO 0.00 0.63 0.66 0.93 0.71 0.00 0.00 177.93 180.86 1dt7 h GLU 86 N 1.18 1.32 0.00 5.26 5.08 -1.29 0.38 114.58 126.51 1dt7 h GLU 86 Ca 0.43 -0.08 -0.12 0.00 -1.00 0.00 0.00 59.36 58.59 1dt7 h GLU 86 Cb 0.15 -0.30 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 1dt7 h GLU 86 CO -0.17 0.87 -1.30 1.19 -1.00 0.00 0.00 179.01 178.60 1dt7 n PHE 87 N -4.38 0.99 0.92 4.33 3.72 -0.35 -3.76 117.46 118.93 1dt7 n PHE 87 Ca 0.12 0.32 0.11 0.00 -0.05 0.00 0.00 57.45 57.95 1dt7 n PHE 87 Cb 0.01 -1.06 0.31 0.00 -0.94 0.00 0.00 39.48 37.80 1dt7 n PHE 87 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1dt7 n PHE 88 N -2.83 0.28 0.00 1.38 3.01 0.45 -3.94 117.46 115.81 1dt7 n PHE 88 Ca -0.07 -0.14 0.00 0.00 1.01 0.00 0.00 57.45 58.25 1dt7 n PHE 88 Cb 0.76 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.23 1dt7 n PHE 88 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 1dt7 n GLU 89 N 0.78 0.00 0.27 -1.08 2.13 0.13 -3.80 120.64 119.07 1dt7 n GLU 89 Ca 0.17 0.00 0.17 0.00 0.66 0.00 0.00 57.16 58.16 1dt7 n GLU 89 Cb 0.44 -0.07 0.63 0.00 0.27 0.00 0.00 31.44 32.71 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 0.00 -0.03 4.31 3.86 -1.85 -3.51 115.15 117.93 1dt7 h HIS 90 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1dt7 h HIS 90 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 1dt7 h HIS 90 CO 0.00 0.01 0.00 -1.91 0.86 0.00 0.00 177.93 176.89