#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k7o h GLU 2 N 0.00 0.68 -0.10 -1.46 5.08 -2.07 -1.78 114.58 114.93 2k7o h GLU 2 Ca 0.00 -0.04 -0.12 0.00 -1.00 0.00 0.00 59.36 58.20 2k7o h GLU 2 Cb 0.00 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 2k7o h GLU 2 CO 0.00 0.45 -0.48 -0.07 -1.00 0.00 0.00 179.01 177.91 2k7o h LEU 3 N 0.70 0.28 -0.37 1.33 3.38 -2.06 -3.04 115.31 115.53 2k7o h LEU 3 Ca 0.19 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 2k7o h LEU 3 Cb -0.07 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 2k7o h LEU 3 CO -0.04 0.72 0.17 -0.08 0.09 0.00 0.00 178.44 179.30 2k7o h GLU 4 N 0.21 0.54 -0.74 1.13 4.57 -1.78 -2.76 114.58 115.75 2k7o h GLU 4 Ca 0.01 -0.08 -0.02 0.00 -1.18 0.00 0.00 59.36 58.09 2k7o h GLU 4 Cb 0.92 -0.09 -0.04 0.00 -0.16 0.00 0.00 28.75 29.38 2k7o h GLU 4 CO 0.07 0.49 0.40 0.87 -1.18 0.00 0.00 179.01 179.67 2k7o h LYS 5 N 0.45 1.03 -0.19 1.92 1.57 -1.48 -1.74 116.57 118.13 2k7o h LYS 5 Ca 0.13 -0.11 0.01 0.00 -1.87 0.00 0.00 60.65 58.80 2k7o h LYS 5 Cb 0.14 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 2k7o h LYS 5 CO -0.01 0.75 0.09 0.00 -0.57 0.00 0.00 179.45 179.71 2k7o h ALA 6 N 1.41 0.22 -0.41 3.86 0.00 -1.38 0.43 119.26 123.39 2k7o h ALA 6 Ca 0.26 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.11 2k7o h ALA 6 Cb 0.03 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2k7o h ALA 6 CO -0.04 -0.33 -0.01 0.52 0.00 0.00 0.00 179.25 179.39 2k7o h MET 7 N 0.20 0.74 -1.01 0.00 2.86 -1.35 -2.98 114.93 113.40 2k7o h MET 7 Ca 0.08 -0.24 0.01 0.00 -2.06 0.00 0.00 59.70 57.48 2k7o h MET 7 Cb 0.02 -0.06 -0.05 0.00 0.06 0.00 0.00 31.60 31.56 2k7o h MET 7 CO -0.05 0.83 0.66 0.28 1.06 0.00 0.00 176.91 179.69 2k7o h VAL 8 N 0.57 1.26 -1.01 -2.22 2.07 -0.99 -2.36 116.25 113.57 2k7o h VAL 8 Ca 0.12 -0.48 0.01 0.00 0.82 0.00 0.00 66.70 67.17 2k7o h VAL 8 Cb 0.50 -0.22 -0.05 0.00 -1.52 0.00 0.00 31.29 30.00 2k7o h VAL 8 CO 0.02 0.25 0.67 0.00 0.02 0.00 0.00 177.57 178.53 2k7o h ALA 9 N 1.37 1.29 -0.48 1.67 0.00 -0.77 -2.24 119.26 120.10 2k7o h ALA 9 Ca 0.37 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.20 2k7o h ALA 9 Cb -0.15 -0.40 -0.02 0.00 0.00 0.00 0.00 17.79 17.21 2k7o h ALA 9 CO -0.08 0.66 0.24 -0.07 0.00 0.00 0.00 179.25 180.00 2k7o h LEU 10 N 1.36 0.62 0.13 0.00 -0.00 -1.34 0.24 115.31 116.32 2k7o h LEU 10 Ca 0.37 -0.12 -0.01 0.00 -0.00 0.00 0.00 57.88 58.13 2k7o h LEU 10 Cb -0.14 -0.16 0.00 0.00 -0.00 0.00 0.00 40.66 40.36 2k7o h LEU 10 CO -0.08 0.57 -0.06 0.40 -0.00 0.00 0.00 178.44 179.26 2k7o h ILE 11 N 0.63 0.87 -0.62 1.22 2.04 -1.26 1.47 117.51 121.86 2k7o h ILE 11 Ca 0.17 -0.01 0.01 0.00 1.00 0.00 0.00 64.86 66.02 2k7o h ILE 11 Cb 0.10 0.88 -0.03 0.00 -0.74 0.00 0.00 36.82 37.03 2k7o h ILE 11 CO -0.02 0.00 0.41 -0.78 0.00 0.00 0.00 178.15 177.76 2k7o h ASP 12 N -0.18 0.71 -0.37 1.72 1.82 -1.27 0.06 116.42 118.91 2k7o h ASP 12 Ca -0.02 -0.02 -0.17 0.00 -0.39 0.00 0.00 57.03 56.44 2k7o h ASP 12 Cb 0.14 -0.18 -0.00 0.00 0.68 0.00 0.00 39.33 39.97 2k7o h ASP 12 CO 0.03 0.52 -0.41 0.58 -1.61 0.00 0.00 179.24 178.34 2k7o h VAL 13 N 0.84 1.27 0.80 2.25 2.07 -0.61 -2.48 116.25 120.40 2k7o h VAL 13 Ca 0.23 -1.59 -0.04 0.00 0.82 0.00 0.00 66.70 66.12 2k7o h VAL 13 Cb -0.10 1.42 0.01 0.00 -1.52 0.00 0.00 31.29 31.10 2k7o h VAL 13 CO -0.05 0.53 -0.39 0.15 0.02 0.00 0.00 177.57 177.83 2k7o h PHE 14 N 0.75 -1.00 -0.84 1.57 3.04 0.25 -0.40 116.94 120.31 2k7o h PHE 14 Ca 0.05 -0.02 -0.01 0.00 3.98 0.00 0.00 57.97 61.97 2k7o h PHE 14 Cb 1.01 0.33 -0.04 0.00 2.56 0.00 0.00 35.95 39.81 2k7o h PHE 14 CO 0.06 -0.62 0.48 0.45 -2.02 0.00 0.00 178.31 176.66 2k7o h HIS 15 N -1.29 1.14 -0.32 0.41 3.86 -1.10 1.65 115.15 119.50 2k7o h HIS 15 Ca -0.11 -0.02 -0.14 0.00 -1.16 0.00 0.00 60.37 58.94 2k7o h HIS 15 Cb 0.83 -0.37 -0.00 0.00 1.06 0.00 0.00 27.41 28.93 2k7o h HIS 15 CO -0.00 0.78 -0.37 0.37 0.86 0.00 0.00 177.93 179.58 2k7o h GLN 16 N 1.17 0.81 -0.11 2.45 4.15 -1.50 0.49 115.11 122.58 2k7o h GLN 16 Ca 0.30 -0.45 -0.13 0.00 0.77 0.00 0.00 58.65 59.14 2k7o h GLN 16 Cb 0.00 0.02 0.01 0.00 0.21 0.00 0.00 27.48 27.72 2k7o h GLN 16 CO -0.05 1.08 -0.44 -0.92 -1.93 0.00 0.00 178.83 176.56 2k7o h TYR 17 N 0.59 0.66 0.00 3.99 5.03 -0.78 -3.16 116.97 123.29 2k7o h TYR 17 Ca 0.04 -0.28 -0.04 0.00 2.58 0.00 0.00 58.73 61.03 2k7o h TYR 17 Cb 0.95 -0.10 -0.01 0.00 1.55 0.00 0.00 36.73 39.12 2k7o h TYR 17 CO 0.07 1.04 -0.20 1.03 -1.32 0.00 0.00 178.16 178.78 2k7o h SER 18 N 0.08 0.00 -0.30 -2.11 0.87 0.24 -2.97 113.55 109.36 2k7o h SER 18 Ca -0.02 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.46 2k7o h SER 18 Cb 1.08 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.00 2k7o h SER 18 CO 0.09 0.20 0.09 0.61 -0.53 0.00 0.00 176.83 177.30 2k7o n GLY 19 N 0.35 2.44 0.12 5.77 0.00 0.17 -4.05 105.19 110.00 2k7o n GLY 19 Ca 0.01 -0.41 -0.21 0.00 0.00 0.00 0.00 46.02 45.41 2k7o n GLY 19 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2k7o h ARG 20 N 1.26 0.26 -3.46 1.61 2.47 -1.58 -3.48 114.38 111.45 2k7o h ARG 20 Ca 0.09 -0.45 -0.09 0.00 -1.26 0.00 0.00 59.98 58.27 2k7o h ARG 20 Cb 1.35 0.17 -0.16 0.00 -1.65 0.00 0.00 29.97 29.68 2k7o h ARG 20 CO 0.30 1.22 -0.30 -1.21 0.56 0.00 0.00 179.97 180.54 2k7o s GLU 21 N -2.45 0.80 0.88 0.04 2.02 -1.26 -5.12 118.70 113.60 2k7o s GLU 21 Ca -0.17 -0.62 0.00 0.00 0.02 0.00 0.00 54.97 54.19 2k7o s GLU 21 Cb 0.03 0.34 0.00 0.00 0.10 0.00 0.00 34.13 34.60 2k7o s GLU 21 CO 0.79 -0.25 0.00 0.41 0.02 0.00 0.00 175.26 176.23 2k7o n GLY 22 N 0.45 -2.08 3.82 -1.39 0.00 -1.26 -4.86 105.19 99.88 2k7o n GLY 22 Ca -0.18 -1.42 -0.33 0.00 0.00 0.00 0.00 46.02 44.09 2k7o n GLY 22 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2k7o s ASP 23 N -3.71 6.91 0.20 1.61 1.01 -1.26 -4.98 116.67 116.45 2k7o s ASP 23 Ca 0.00 1.66 -0.30 0.00 0.71 0.00 0.00 52.55 54.62 2k7o s ASP 23 Cb 0.00 -2.53 -0.08 0.00 1.01 0.00 0.00 42.92 41.32 2k7o s ASP 23 CO 0.00 -0.36 1.14 -0.54 0.21 0.00 0.00 175.17 175.62 2k7o s LYS 24 N -3.22 4.56 0.00 8.23 1.02 -1.26 -3.03 119.74 126.03 2k7o s LYS 24 Ca 0.61 1.80 0.00 0.00 0.02 0.00 0.00 55.97 58.41 2k7o s LYS 24 Cb -0.09 -3.24 0.00 0.00 -0.52 0.00 0.00 37.83 33.97 2k7o s LYS 24 CO 0.14 0.03 0.00 1.58 -0.92 0.00 0.00 175.35 176.18 2k7o n HIS 25 N 2.20 0.00 -3.81 3.18 -0.00 -1.26 -5.02 115.22 110.50 2k7o n HIS 25 Ca 0.03 0.00 -0.36 0.00 0.46 0.00 0.00 57.72 57.84 2k7o n HIS 25 Cb 0.45 0.00 -0.13 0.00 -0.12 0.00 0.00 29.99 30.19 2k7o n HIS 25 CO 0.00 0.00 0.00 0.15 0.46 0.00 0.00 176.34 176.95 2k7o s LYS 26 N -0.69 3.17 -0.27 1.57 1.02 -1.17 -4.02 119.74 119.36 2k7o s LYS 26 Ca 0.00 -0.79 -0.16 0.00 0.02 0.00 0.00 55.97 55.04 2k7o s LYS 26 Cb 0.00 -3.26 -0.03 0.00 -0.52 0.00 0.00 37.83 34.02 2k7o s LYS 26 CO 0.00 -0.37 0.41 -0.51 -0.92 0.00 0.00 175.35 173.96 2k7o s LEU 27 N 1.49 4.04 0.47 3.17 2.01 -1.20 -4.62 118.68 124.04 2k7o s LEU 27 Ca 0.03 0.35 -0.02 0.00 0.01 0.00 0.00 54.13 54.51 2k7o s LEU 27 Cb -0.16 -2.49 -0.01 0.00 0.01 0.00 0.00 46.19 43.54 2k7o s LEU 27 CO 0.01 -0.21 0.72 -0.75 1.01 0.00 0.00 176.35 177.13 2k7o s LYS 28 N 2.12 3.17 0.19 1.70 2.20 -1.26 -2.26 119.74 125.60 2k7o s LYS 28 Ca 0.17 -0.26 -0.11 0.00 -0.36 0.00 0.00 55.97 55.40 2k7o s LYS 28 Cb -0.16 -2.49 0.19 0.00 -1.51 0.00 0.00 37.83 33.87 2k7o s LYS 28 CO 0.10 -0.29 1.80 0.87 -0.36 0.00 0.00 175.35 177.46 2k7o h LYS 29 N 0.30 0.58 -0.98 4.03 1.57 -1.98 0.34 116.57 120.44 2k7o h LYS 29 Ca -0.47 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 2k7o h LYS 29 Cb 1.24 -0.13 -0.05 0.00 0.08 0.00 0.00 32.23 33.37 2k7o h LYS 29 CO 0.59 0.38 0.62 1.03 -0.57 0.00 0.00 179.45 181.50 2k7o h SER 30 N 0.59 1.15 -0.14 0.86 0.87 -1.99 0.16 113.55 115.06 2k7o h SER 30 Ca 0.26 -0.05 -0.11 0.00 -1.23 0.00 0.00 61.79 60.66 2k7o h SER 30 Cb 0.16 -0.29 -0.01 0.00 -0.44 0.00 0.00 62.40 61.81 2k7o h SER 30 CO -0.17 0.86 -0.29 -0.33 -0.53 0.00 0.00 176.83 176.37 2k7o h GLU 31 N 1.34 0.62 -0.33 2.24 5.08 -1.60 -2.13 114.58 119.80 2k7o h GLU 31 Ca 0.35 -0.26 -0.14 0.00 -1.00 0.00 0.00 59.36 58.31 2k7o h GLU 31 Cb -0.10 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.12 2k7o h GLU 31 CO -0.07 0.84 -0.36 1.25 -1.00 0.00 0.00 179.01 179.67 2k7o h LEU 32 N 0.53 0.89 -0.83 1.33 5.85 0.70 -2.91 115.31 120.87 2k7o h LEU 32 Ca 0.07 -0.48 -0.04 0.00 0.84 0.00 0.00 57.88 58.27 2k7o h LEU 32 Cb 0.76 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.51 2k7o h LEU 32 CO 0.06 1.19 0.36 0.50 -0.34 0.00 0.00 178.44 180.20 2k7o h LYS 33 N 0.61 1.22 -0.65 1.25 3.64 -0.57 -2.64 116.57 119.42 2k7o h LYS 33 Ca 0.05 -0.20 0.01 0.00 -1.27 0.00 0.00 60.65 59.23 2k7o h LYS 33 Cb 0.95 -0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 32.53 2k7o h LYS 33 CO 0.09 0.96 0.43 0.93 -2.27 0.00 0.00 179.45 179.59 2k7o h GLU 34 N 1.19 0.86 -0.84 1.90 4.39 -1.31 -0.90 114.58 119.88 2k7o h GLU 34 Ca 0.28 -0.05 0.01 0.00 0.34 0.00 0.00 59.36 59.94 2k7o h GLU 34 Cb 0.18 -0.19 -0.04 0.00 -0.10 0.00 0.00 28.75 28.59 2k7o h GLU 34 CO -0.03 0.57 0.56 1.25 -1.16 0.00 0.00 179.01 180.20 2k7o h LEU 35 N 0.88 0.96 -0.52 1.33 5.85 -1.28 0.84 115.31 123.38 2k7o h LEU 35 Ca 0.24 -0.02 -0.12 0.00 0.84 0.00 0.00 57.88 58.81 2k7o h LEU 35 Cb -0.10 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.68 2k7o h LEU 35 CO -0.05 0.69 -0.16 0.40 -0.34 0.00 0.00 178.44 178.98 2k7o h ILE 36 N 1.13 1.27 0.00 4.05 2.04 -1.15 -2.91 117.51 121.94 2k7o h ILE 36 Ca 0.31 -1.32 0.00 0.00 1.00 0.00 0.00 64.86 64.85 2k7o h ILE 36 Cb -0.13 1.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.99 2k7o h ILE 36 CO -0.07 0.46 -0.00 -1.13 0.00 0.00 0.00 178.15 177.41 2k7o h ASN 37 N 0.89 0.00 0.53 1.72 -0.00 -0.64 -2.77 115.58 115.31 2k7o h ASN 37 Ca 0.13 -0.00 -0.02 0.00 -0.00 0.00 0.00 56.30 56.41 2k7o h ASN 37 Cb 0.73 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 39.04 2k7o h ASN 37 CO 0.06 0.00 -0.36 -1.13 -0.00 0.00 0.00 177.43 176.00 2k7o h ASN 38 N 0.00 -0.91 0.00 1.15 -1.24 0.92 -3.41 115.58 112.08 2k7o h ASN 38 Ca 0.00 0.06 0.00 0.00 0.71 0.00 0.00 56.30 57.07 2k7o h ASN 38 Cb 0.99 0.28 0.00 0.00 0.73 0.00 0.00 38.32 40.32 2k7o h ASN 38 CO 0.00 -0.54 0.00 -0.62 -1.29 0.00 0.00 177.43 174.98 2k7o n GLU 39 N -5.49 0.00 -3.19 6.67 1.02 -1.25 -5.06 120.64 113.34 2k7o n GLU 39 Ca -0.12 0.00 -0.40 0.00 -0.02 0.00 0.00 57.16 56.62 2k7o n GLU 39 Cb 0.38 -0.14 -0.06 0.00 -0.02 0.00 0.00 31.44 31.59 2k7o n GLU 39 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2k7o s LEU 40 N 0.00 4.13 0.00 -4.62 2.96 -1.05 -4.75 118.68 115.35 2k7o s LEU 40 Ca 0.00 0.71 0.00 0.00 -0.22 0.00 0.00 54.13 54.62 2k7o s LEU 40 Cb 0.00 -2.78 0.00 0.00 0.50 0.00 0.00 46.19 43.91 2k7o s LEU 40 CO 0.00 -0.24 0.00 -0.24 -1.32 0.00 0.00 176.35 174.55 2k7o n SER 41 N 5.06 0.00 0.24 3.68 2.88 -1.26 -4.35 113.62 119.86 2k7o n SER 41 Ca -0.03 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.62 2k7o n SER 41 Cb 0.50 0.00 0.56 0.00 -0.75 0.00 0.00 64.21 64.51 2k7o n SER 41 CO 0.00 0.00 0.00 0.45 -1.23 0.00 0.00 175.04 174.26 2k7o h HIS 42 N 0.00 0.00 0.00 0.66 3.86 -1.97 -2.86 115.15 114.84 2k7o h HIS 42 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2k7o h HIS 42 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 2k7o h HIS 42 CO 0.00 0.20 -1.68 1.19 0.86 0.00 0.00 177.93 178.49 2k7o n PHE 43 N -3.50 0.04 -3.61 2.45 3.01 -1.26 -4.84 117.46 109.75 2k7o n PHE 43 Ca -0.01 0.01 -0.25 0.00 1.01 0.00 0.00 57.45 58.21 2k7o n PHE 43 Cb 0.36 -0.39 -0.17 0.00 -0.01 0.00 0.00 39.48 39.27 2k7o n PHE 43 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 2k7o s LEU 44 N -4.16 0.30 -0.09 4.37 1.43 -1.08 -4.99 118.68 114.46 2k7o s LEU 44 Ca -0.03 -0.54 0.09 0.00 -1.03 0.00 0.00 54.13 52.62 2k7o s LEU 44 Cb 0.14 -0.21 -0.13 0.00 0.03 0.00 0.00 46.19 46.03 2k7o s LEU 44 CO 0.89 -0.34 0.06 1.21 0.23 0.00 0.00 176.35 178.40 2k7o n GLU 45 N 5.28 2.13 0.00 1.70 2.13 -1.25 -4.35 120.64 126.28 2k7o n GLU 45 Ca -0.07 -0.01 0.00 0.00 0.66 0.00 0.00 57.16 57.74 2k7o n GLU 45 Cb 0.49 -1.26 0.00 0.00 0.27 0.00 0.00 31.44 30.94 2k7o n GLU 45 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 2k7o n GLU 46 N -2.33 0.00 -3.63 5.31 -0.58 -1.26 -4.75 120.64 113.41 2k7o n GLU 46 Ca -0.15 0.00 -0.26 0.00 -0.42 0.00 0.00 57.16 56.33 2k7o n GLU 46 Cb 0.78 0.00 0.03 0.00 -0.57 0.00 0.00 31.44 31.68 2k7o n GLU 46 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 2k7o n ILE 47 N 0.00 -5.88 0.29 -3.67 5.41 -1.26 -4.89 119.36 109.36 2k7o n ILE 47 Ca 0.00 -0.63 0.09 0.00 1.00 0.00 0.00 62.75 63.21 2k7o n ILE 47 Cb 0.00 -4.37 -0.12 0.00 -0.71 0.00 0.00 39.64 34.44 2k7o n ILE 47 CO 0.00 0.00 0.00 2.29 0.00 0.00 0.00 176.55 178.84 2k7o n LYS 48 N -3.52 0.82 -4.71 0.38 2.85 -1.26 -4.95 118.16 107.77 2k7o n LYS 48 Ca -0.13 -0.10 -0.27 0.00 -1.05 0.00 0.00 58.31 56.76 2k7o n LYS 48 Cb 0.60 -1.38 -0.14 0.00 -0.65 0.00 0.00 35.03 33.45 2k7o n LYS 48 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 2k7o s GLU 49 N -3.01 1.51 0.37 -1.58 2.12 -1.26 -5.02 118.70 111.83 2k7o s GLU 49 Ca -0.02 -1.01 0.04 0.00 0.36 0.00 0.00 54.97 54.35 2k7o s GLU 49 Cb 0.12 -1.65 0.72 0.00 0.26 0.00 0.00 34.13 33.58 2k7o s GLU 49 CO 0.73 0.42 2.03 -0.56 -0.54 0.00 0.00 175.26 177.34 2k7o h GLN 50 N 4.81 0.72 -0.58 4.30 3.07 -2.01 -0.59 115.11 124.83 2k7o h GLN 50 Ca -0.44 -0.04 0.16 0.00 0.09 0.00 0.00 58.65 58.42 2k7o h GLN 50 Cb 1.15 -0.16 -0.02 0.00 0.08 0.00 0.00 27.48 28.53 2k7o h GLN 50 CO 0.44 0.48 0.41 1.49 0.09 0.00 0.00 178.83 181.74 2k7o h GLU 51 N 0.74 0.03 -0.16 0.06 4.81 -2.00 0.55 114.58 118.61 2k7o h GLU 51 Ca 0.20 -0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.31 2k7o h GLU 51 Cb -0.08 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 2k7o h GLU 51 CO -0.04 0.02 -0.42 0.28 -0.73 0.00 0.00 179.01 178.12 2k7o h VAL 52 N 0.03 1.31 -0.41 0.32 2.07 -1.52 -2.63 116.25 115.42 2k7o h VAL 52 Ca 0.27 -1.56 -0.09 0.00 0.82 0.00 0.00 66.70 66.14 2k7o h VAL 52 Cb 1.07 1.65 -0.01 0.00 -1.52 0.00 0.00 31.29 32.47 2k7o h VAL 52 CO -0.01 0.48 -0.10 0.58 0.02 0.00 0.00 177.57 178.53 2k7o h VAL 53 N 0.30 1.28 -0.74 2.57 2.07 0.07 -2.64 116.25 119.15 2k7o h VAL 53 Ca 0.03 -1.20 0.01 0.00 0.82 0.00 0.00 66.70 66.35 2k7o h VAL 53 Cb 0.86 1.21 -0.04 0.00 -1.52 0.00 0.00 31.29 31.81 2k7o h VAL 53 CO 0.07 0.40 0.49 -0.78 0.02 0.00 0.00 177.57 177.77 2k7o h ASP 54 N 0.60 0.85 -0.71 0.57 1.82 -1.19 -0.91 116.42 117.46 2k7o h ASP 54 Ca 0.10 -0.02 -0.00 0.00 -0.39 0.00 0.00 57.03 56.72 2k7o h ASP 54 Cb 0.63 -0.21 -0.03 0.00 0.68 0.00 0.00 39.33 40.40 2k7o h ASP 54 CO 0.04 0.62 0.44 0.50 -1.61 0.00 0.00 179.24 179.23 2k7o h LYS 55 N 1.00 0.96 -0.93 0.28 3.64 -1.35 -0.66 116.57 119.52 2k7o h LYS 55 Ca 0.27 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.56 2k7o h LYS 55 Cb -0.11 -0.20 -0.04 0.00 -0.41 0.00 0.00 32.23 31.46 2k7o h LYS 55 CO -0.06 0.67 0.53 0.28 -2.27 0.00 0.00 179.45 178.61 2k7o h VAL 56 N 0.97 1.26 -0.63 2.00 2.07 -1.01 -1.87 116.25 119.03 2k7o h VAL 56 Ca 0.26 -0.61 -0.08 0.00 0.82 0.00 0.00 66.70 67.09 2k7o h VAL 56 Cb -0.05 -0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 29.68 2k7o h VAL 56 CO -0.05 0.28 0.10 0.24 0.02 0.00 0.00 177.57 178.16 2k7o h MET 57 N 1.29 1.05 -0.19 1.57 2.86 -0.25 0.31 114.93 121.57 2k7o h MET 57 Ca 0.33 -0.28 -0.00 0.00 -2.06 0.00 0.00 59.70 57.68 2k7o h MET 57 Cb -0.01 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.52 2k7o h MET 57 CO -0.06 0.98 0.11 0.93 1.06 0.00 0.00 176.91 179.93 2k7o h GLU 58 N 0.96 0.26 -0.44 1.72 4.39 -0.60 2.22 114.58 123.09 2k7o h GLU 58 Ca 0.19 -0.02 -0.14 0.00 0.34 0.00 0.00 59.36 59.72 2k7o h GLU 58 Cb 0.44 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.03 2k7o h GLU 58 CO 0.01 0.22 -0.28 1.15 -1.16 0.00 0.00 179.01 178.95 2k7o h THR 59 N 0.22 1.27 -0.24 1.13 2.02 -1.20 -3.11 112.91 113.01 2k7o h THR 59 Ca 0.07 -1.45 -0.20 0.00 0.77 0.00 0.00 66.41 65.60 2k7o h THR 59 Cb 0.03 1.24 0.00 0.00 -1.74 0.00 0.00 68.15 67.68 2k7o h THR 59 CO -0.01 0.49 -0.63 0.25 0.37 0.00 0.00 175.52 175.99 2k7o h LEU 60 N 0.81 0.97 -4.50 2.58 5.85 -0.06 -3.29 115.31 117.65 2k7o h LEU 60 Ca 0.09 -0.57 -0.43 0.00 0.84 0.00 0.00 57.88 57.81 2k7o h LEU 60 Cb 0.87 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.58 2k7o h LEU 60 CO 0.08 1.37 1.57 -0.67 -0.34 0.00 0.00 178.44 180.44 2k7o n ASP 61 N -3.99 6.91 -0.30 1.25 2.03 0.75 -4.51 116.55 118.68 2k7o n ASP 61 Ca -0.06 -2.57 -0.01 0.00 0.52 0.00 0.00 54.79 52.67 2k7o n ASP 61 Cb 0.67 -1.47 0.16 0.00 -0.72 0.00 0.00 41.12 39.77 2k7o n ASP 61 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 2k7o h GLU 62 N 3.91 1.18 -0.50 -0.67 4.81 -1.68 -1.63 114.58 120.00 2k7o h GLU 62 Ca 0.51 -0.08 0.01 0.00 -0.13 0.00 0.00 59.36 59.67 2k7o h GLU 62 Cb 0.92 -0.26 -0.03 0.00 0.63 0.00 0.00 28.75 30.01 2k7o h GLU 62 CO 0.97 0.79 0.33 0.38 -0.73 0.00 0.00 179.01 180.75 2k7o h ASP 63 N 1.21 0.55 -1.83 1.04 2.03 -1.93 -3.48 116.42 114.00 2k7o h ASP 63 Ca 0.32 -0.01 0.00 0.00 -0.73 0.00 0.00 57.03 56.61 2k7o h ASP 63 Cb -0.11 -0.13 0.00 0.00 -0.83 0.00 0.00 39.33 38.25 2k7o h ASP 63 CO -0.07 0.39 0.00 0.61 -1.03 0.00 0.00 179.24 179.14 2k7o n GLY 64 N -1.47 -1.46 0.00 7.15 0.00 -0.61 -5.06 105.19 103.74 2k7o n GLY 64 Ca 0.05 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.65 2k7o n GLY 64 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2k7o n ASP 65 N -0.06 0.00 0.00 1.61 8.00 -1.26 -5.01 116.55 119.82 2k7o n ASP 65 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 2k7o n ASP 65 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 2k7o n ASP 65 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2k7o n GLY 66 N 0.14 2.29 3.15 0.44 0.00 -1.26 -4.98 105.19 104.97 2k7o n GLY 66 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 2k7o n GLY 66 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2k7o s GLU 67 N -0.42 0.78 -0.44 1.61 -1.05 -1.26 -4.70 118.70 113.22 2k7o s GLU 67 Ca 0.00 -1.31 -0.15 0.00 -0.15 0.00 0.00 54.97 53.36 2k7o s GLU 67 Cb 0.00 -0.05 0.05 0.00 -0.44 0.00 0.00 34.13 33.69 2k7o s GLU 67 CO 0.00 -0.07 0.34 0.00 0.95 0.00 0.00 175.26 176.48 2k7o s ASP 69 N 2.18 1.43 0.09 0.00 1.01 -1.26 -3.25 116.67 116.87 2k7o s ASP 69 Ca 0.04 1.03 -0.23 0.00 0.71 0.00 0.00 52.55 54.10 2k7o s ASP 69 Cb -0.22 -1.57 -0.15 0.00 1.01 0.00 0.00 42.92 41.99 2k7o s ASP 69 CO 0.07 -3.85 1.74 0.15 0.21 0.00 0.00 175.17 173.49 2k7o h PHE 70 N -2.39 0.01 0.18 4.23 3.57 -1.98 1.11 116.94 121.67 2k7o h PHE 70 Ca -0.52 0.00 0.00 0.00 3.53 0.00 0.00 57.97 60.98 2k7o h PHE 70 Cb 1.32 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.05 2k7o h PHE 70 CO -0.74 0.01 -0.15 1.96 -2.23 0.00 0.00 178.31 177.15 2k7o h GLN 71 N 0.00 -0.34 -0.32 1.11 7.50 -1.95 -0.80 115.11 120.31 2k7o h GLN 71 Ca 0.00 0.02 0.00 0.00 0.50 0.00 0.00 58.65 59.18 2k7o h GLN 71 Cb 0.00 0.08 -0.02 0.00 0.05 0.00 0.00 27.48 27.59 2k7o h GLN 71 CO -0.00 -0.23 0.21 0.93 -1.50 0.00 0.00 178.83 178.24 2k7o h GLU 72 N -0.35 0.42 -1.03 1.46 5.08 -1.86 -1.60 114.58 116.69 2k7o h GLU 72 Ca -0.00 -0.03 0.28 0.00 -1.00 0.00 0.00 59.36 58.61 2k7o h GLU 72 Cb 0.32 -0.09 -0.13 0.00 0.50 0.00 0.00 28.75 29.35 2k7o h GLU 72 CO -0.02 0.28 0.61 0.35 -1.00 0.00 0.00 179.01 179.23 2k7o h PHE 73 N 0.43 0.91 0.00 4.33 3.04 0.18 2.25 116.94 128.09 2k7o h PHE 73 Ca 0.12 0.03 -0.06 0.00 3.98 0.00 0.00 57.97 62.04 2k7o h PHE 73 Cb -0.05 -0.25 -0.01 0.00 2.56 0.00 0.00 35.95 38.20 2k7o h PHE 73 CO -0.05 -0.01 -0.28 0.52 -2.02 0.00 0.00 178.31 176.46 2k7o h MET 74 N 0.46 0.00 0.45 1.11 2.86 -0.17 -2.33 114.93 117.31 2k7o h MET 74 Ca 0.67 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 58.29 2k7o h MET 74 Cb 1.46 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.13 2k7o h MET 74 CO -0.48 0.28 -0.21 0.00 1.06 0.00 0.00 176.91 177.56 2k7o h ALA 75 N 1.72 -0.60 -0.97 6.32 0.00 0.41 0.55 119.26 126.68 2k7o h ALA 75 Ca -0.00 -0.19 0.14 0.00 0.00 0.00 0.00 54.91 54.85 2k7o h ALA 75 Cb 0.70 0.23 -0.08 0.00 0.00 0.00 0.00 17.79 18.64 2k7o h ALA 75 CO 0.04 -0.68 0.61 0.35 0.00 0.00 0.00 179.25 179.57 2k7o h PHE 76 N -0.92 1.04 -0.46 0.00 3.04 -1.29 0.88 116.94 119.24 2k7o h PHE 76 Ca -0.06 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.92 2k7o h PHE 76 Cb 0.57 -0.33 -0.02 0.00 2.56 0.00 0.00 35.95 38.73 2k7o h PHE 76 CO 0.01 0.38 0.30 0.28 -2.02 0.00 0.00 178.31 177.27 2k7o h VAL 77 N 0.88 1.12 -0.50 1.41 2.07 -1.18 -1.15 116.25 118.90 2k7o h VAL 77 Ca 0.49 -0.22 -0.07 0.00 0.82 0.00 0.00 66.70 67.72 2k7o h VAL 77 Cb 0.61 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 2k7o h VAL 77 CO -0.26 0.11 0.03 -1.28 0.02 0.00 0.00 177.57 176.19 2k7o h SER 78 N 0.62 0.84 -0.91 0.57 0.87 0.22 -2.78 113.55 112.97 2k7o h SER 78 Ca 0.17 -0.29 0.09 0.00 -1.23 0.00 0.00 61.79 60.52 2k7o h SER 78 Cb -0.07 -0.23 -0.07 0.00 -0.44 0.00 0.00 62.40 61.59 2k7o h SER 78 CO -0.04 0.93 0.56 0.24 -0.53 0.00 0.00 176.83 177.99 2k7o h MET 79 N 0.73 0.92 -0.07 2.24 2.07 0.12 2.35 114.93 123.29 2k7o h MET 79 Ca 0.15 -0.06 0.00 0.00 -2.07 0.00 0.00 59.70 57.72 2k7o h MET 79 Cb 0.48 -0.21 -0.00 0.00 -1.87 0.00 0.00 31.60 30.00 2k7o h MET 79 CO 0.02 0.61 0.04 0.28 1.07 0.00 0.00 176.91 178.93 2k7o h VAL 80 N 0.94 1.02 0.00 -2.22 2.07 -0.97 2.17 116.25 119.27 2k7o h VAL 80 Ca 0.43 -0.04 -0.11 0.00 0.82 0.00 0.00 66.70 67.80 2k7o h VAL 80 Cb 0.33 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 2k7o h VAL 80 CO -0.23 0.02 -0.57 0.74 0.02 0.00 0.00 177.57 177.55 2k7o h THR 81 N 0.09 1.40 0.00 2.57 2.02 0.66 -3.25 112.91 116.40 2k7o h THR 81 Ca 0.02 -2.27 0.00 0.00 0.77 0.00 0.00 66.41 64.93 2k7o h THR 81 Cb -0.01 2.87 0.00 0.00 -1.74 0.00 0.00 68.15 69.27 2k7o h THR 81 CO -0.01 0.48 0.00 0.74 0.37 0.00 0.00 175.52 177.10 2k7o h THR 82 N -0.99 0.00 -0.02 3.16 2.02 0.39 -3.00 112.91 114.47 2k7o h THR 82 Ca -0.16 -0.50 -0.25 0.00 0.77 0.00 0.00 66.41 66.28 2k7o h THR 82 Cb 1.14 1.46 0.02 0.00 -1.74 0.00 0.00 68.15 69.03 2k7o h THR 82 CO -0.09 0.00 -0.94 0.00 0.37 0.00 0.00 175.52 174.85 2k7o h ALA 83 N 2.05 0.14 -2.49 6.16 0.00 0.35 -3.44 119.26 122.03 2k7o h ALA 83 Ca 0.00 -0.66 -0.53 0.00 0.00 0.00 0.00 54.91 53.71 2k7o h ALA 83 Cb 0.52 0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.37 2k7o h ALA 83 CO 0.00 0.63 0.69 0.00 0.00 0.00 0.00 179.25 180.57 2k7o s HIS 85 N 1.33 3.07 -0.36 0.00 3.76 -1.26 -4.93 115.29 116.90 2k7o s HIS 85 Ca 0.62 0.84 -0.28 0.00 -0.15 0.00 0.00 55.06 56.10 2k7o s HIS 85 Cb -0.33 -3.36 -0.02 0.00 1.11 0.00 0.00 32.58 29.98 2k7o s HIS 85 CO 0.29 -1.59 1.81 -1.21 -0.85 0.00 0.00 174.74 173.20 2k7o s GLU 86 N -5.51 3.25 0.02 1.40 2.02 -1.26 -4.79 118.70 113.83 2k7o s GLU 86 Ca 0.61 1.35 0.23 0.00 0.02 0.00 0.00 54.97 57.17 2k7o s GLU 86 Cb -0.11 -4.22 0.02 0.00 0.10 0.00 0.00 34.13 29.92 2k7o s GLU 86 CO 0.50 -1.97 1.02 1.19 0.02 0.00 0.00 175.26 176.02 2k7o n PHE 87 N 10.62 0.12 0.88 1.61 3.72 -1.26 -3.90 117.46 129.25 2k7o n PHE 87 Ca 0.23 0.04 0.07 0.00 -0.05 0.00 0.00 57.45 57.73 2k7o n PHE 87 Cb 0.47 -0.28 0.20 0.00 -0.94 0.00 0.00 39.48 38.93 2k7o n PHE 87 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 2k7o n PHE 88 N -1.77 0.45 0.14 1.38 3.72 -1.26 -3.59 117.46 116.53 2k7o n PHE 88 Ca 0.03 -0.23 0.11 0.00 -0.05 0.00 0.00 57.45 57.31 2k7o n PHE 88 Cb 0.40 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.89 2k7o n PHE 88 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 2k7o n GLU 89 N 0.55 0.57 -2.94 -1.08 4.07 -1.25 -5.04 120.64 115.52 2k7o n GLU 89 Ca 0.13 0.01 -0.02 0.00 -0.06 0.00 0.00 57.16 57.22 2k7o n GLU 89 Cb 0.32 -1.70 -0.01 0.00 -0.06 0.00 0.00 31.44 29.99 2k7o n GLU 89 CO 0.00 0.00 0.00 0.72 -0.06 0.00 0.00 177.13 177.79 2k7o n HIS 90 N -2.44 -1.47 -1.36 4.31 8.25 -1.24 -5.20 115.22 116.08 2k7o n HIS 90 Ca -0.01 0.83 0.00 0.00 -0.26 0.00 0.00 57.72 58.28 2k7o n HIS 90 Cb 0.54 -1.97 0.00 0.00 1.12 0.00 0.00 29.99 29.68 2k7o n HIS 90 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37