#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 0.48 -0.07 4.33 5.08 -2.06 -1.12 114.58 121.21 2k7o h GLU 2 Ca 0.00 -0.03 -0.15 0.00 -1.00 0.00 0.00 59.36 58.18 2k7o h GLU 2 Cb 0.00 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 2k7o h GLU 2 CO 0.00 0.32 -0.61 1.25 -1.00 0.00 0.00 179.01 178.97 2k7o h LEU 3 N 0.49 0.27 -0.37 1.33 7.12 -2.06 -2.87 115.31 119.22 2k7o h LEU 3 Ca 0.13 -0.15 -0.00 0.00 0.13 0.00 0.00 57.88 57.99 2k7o h LEU 3 Cb -0.06 -0.08 -0.02 0.00 -0.53 0.00 0.00 40.66 39.98 2k7o h LEU 3 CO -0.03 0.81 0.22 -0.08 -0.13 0.00 0.00 178.44 179.23 2k7o h GLU 4 N 0.17 0.50 -0.82 1.25 4.57 -1.66 -1.86 114.58 116.73 2k7o h GLU 4 Ca -0.01 -0.05 -0.04 0.00 -1.18 0.00 0.00 59.36 58.08 2k7o h GLU 4 Cb 1.11 -0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 29.56 2k7o h GLU 4 CO 0.09 0.38 0.35 0.87 -1.18 0.00 0.00 179.01 179.52 2k7o h LYS 5 N 0.48 1.21 -0.38 1.92 1.57 -1.45 -1.54 116.57 118.38 2k7o h LYS 5 Ca 0.13 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 2k7o h LYS 5 Cb 0.01 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.10 2k7o h LYS 5 CO -0.02 0.96 0.25 0.00 -0.57 0.00 0.00 179.45 180.07 2k7o h ALA 6 N 1.19 0.48 -0.05 3.86 0.00 -1.23 0.12 119.26 123.63 2k7o h ALA 6 Ca 0.28 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 2k7o h ALA 6 Cb 0.19 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 2k7o h ALA 6 CO -0.03 -0.07 0.03 1.98 0.00 0.00 0.00 179.25 181.16 2k7o h MET 7 N 0.51 0.07 -1.01 0.00 1.85 -1.03 -1.88 114.93 113.44 2k7o h MET 7 Ca 0.14 -0.01 0.01 0.00 -0.61 0.00 0.00 59.70 59.23 2k7o h MET 7 Cb -0.06 -0.01 -0.05 0.00 0.43 0.00 0.00 31.60 31.91 2k7o h MET 7 CO -0.03 0.13 0.66 0.28 -0.40 0.00 0.00 176.91 177.55 2k7o h VAL 8 N -0.01 1.26 -0.95 -5.77 2.07 -0.96 -0.84 116.25 111.04 2k7o h VAL 8 Ca 0.02 -0.47 0.00 0.00 0.82 0.00 0.00 66.70 67.06 2k7o h VAL 8 Cb 0.08 -0.22 -0.05 0.00 -1.52 0.00 0.00 31.29 29.59 2k7o h VAL 8 CO -0.00 0.25 0.60 0.00 0.02 0.00 0.00 177.57 178.44 2k7o h ALA 9 N 1.37 1.21 0.09 1.67 0.00 -0.49 -1.80 119.26 121.30 2k7o h ALA 9 Ca 0.37 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 2k7o h ALA 9 Cb -0.15 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.25 2k7o h ALA 9 CO -0.08 0.64 -0.04 1.25 0.00 0.00 0.00 179.25 181.02 2k7o h LEU 10 N 1.30 -0.10 -0.01 0.00 7.12 -0.34 0.04 115.31 123.31 2k7o h LEU 10 Ca 0.35 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.36 2k7o h LEU 10 Cb -0.10 0.03 -0.00 0.00 -0.53 0.00 0.00 40.66 40.06 2k7o h LEU 10 CO -0.07 -0.07 0.01 0.40 -0.13 0.00 0.00 178.44 178.57 2k7o h ILE 11 N -0.12 1.01 -1.01 4.05 2.04 -1.12 0.14 117.51 122.50 2k7o h ILE 11 Ca -0.01 -0.01 0.06 0.00 1.00 0.00 0.00 64.86 65.90 2k7o h ILE 11 Cb 0.09 1.00 -0.07 0.00 -0.74 0.00 0.00 36.82 37.10 2k7o h ILE 11 CO 0.02 0.00 0.65 -0.78 0.00 0.00 0.00 178.15 178.04 2k7o h ASP 12 N 0.01 1.05 -0.38 1.72 1.82 -1.20 -1.65 116.42 117.79 2k7o h ASP 12 Ca 0.00 0.01 -0.16 0.00 -0.39 0.00 0.00 57.03 56.49 2k7o h ASP 12 Cb 0.00 -0.22 -0.01 0.00 0.68 0.00 0.00 39.33 39.79 2k7o h ASP 12 CO -0.00 0.67 -0.41 0.58 -1.61 0.00 0.00 179.24 178.48 2k7o h VAL 13 N 1.19 1.27 0.76 2.25 2.07 -0.49 -2.93 116.25 120.37 2k7o h VAL 13 Ca 0.43 -1.58 -0.04 0.00 0.82 0.00 0.00 66.70 66.33 2k7o h VAL 13 Cb 0.15 1.40 0.01 0.00 -1.52 0.00 0.00 31.29 31.34 2k7o h VAL 13 CO -0.17 0.53 -0.36 0.15 0.02 0.00 0.00 177.57 177.74 2k7o h PHE 14 N 0.76 -0.94 -0.93 1.57 3.04 0.14 -2.31 116.94 118.27 2k7o h PHE 14 Ca 0.06 -0.02 0.01 0.00 3.98 0.00 0.00 57.97 61.99 2k7o h PHE 14 Cb 1.01 0.31 -0.05 0.00 2.56 0.00 0.00 35.95 39.78 2k7o h PHE 14 CO 0.06 -0.57 0.62 0.45 -2.02 0.00 0.00 178.31 176.85 2k7o h HIS 15 N -1.12 1.17 -0.73 0.41 3.86 -1.46 0.21 115.15 117.49 2k7o h HIS 15 Ca -0.10 0.03 -0.07 0.00 -1.16 0.00 0.00 60.37 59.07 2k7o h HIS 15 Cb 0.80 -0.40 -0.03 0.00 1.06 0.00 0.00 27.41 28.84 2k7o h HIS 15 CO -0.01 0.73 0.20 0.37 0.86 0.00 0.00 177.93 180.08 2k7o h GLN 16 N 1.26 1.16 -0.08 2.45 4.15 -1.53 0.56 115.11 123.07 2k7o h GLN 16 Ca 0.34 -0.27 -0.07 0.00 0.77 0.00 0.00 58.65 59.42 2k7o h GLN 16 Cb -0.14 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 27.39 2k7o h GLN 16 CO -0.08 1.00 -0.22 1.88 -1.93 0.00 0.00 178.83 179.49 2k7o h TYR 17 N 1.10 0.38 0.00 3.99 -1.99 -0.93 -3.11 116.97 116.40 2k7o h TYR 17 Ca 0.23 -0.15 0.00 0.00 2.00 0.00 0.00 58.73 60.81 2k7o h TYR 17 Cb 0.35 -0.07 0.00 0.00 2.00 0.00 0.00 36.73 39.02 2k7o h TYR 17 CO 0.03 0.83 0.00 0.66 -0.00 0.00 0.00 178.16 179.68 2k7o h SER 18 N -0.18 0.00 -0.27 3.88 4.64 -0.48 -2.72 113.55 118.42 2k7o h SER 18 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2k7o h SER 18 Cb 0.83 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.92 2k7o h SER 18 CO 0.05 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.62 2k7o n GLY 19 N 0.33 1.45 0.13 -0.77 0.00 0.19 -4.00 105.19 102.52 2k7o n GLY 19 Ca 0.02 -0.37 -0.19 0.00 0.00 0.00 0.00 46.02 45.47 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 1.75 0.36 -2.69 1.61 3.08 -1.49 -3.46 114.38 113.55 2k7o h ARG 20 Ca 0.00 -0.51 -0.12 0.00 0.07 0.00 0.00 59.98 59.42 2k7o h ARG 20 Cb 0.84 0.17 -0.27 0.00 0.08 0.00 0.00 29.97 30.79 2k7o h ARG 20 CO 0.12 1.20 -0.31 -2.00 -1.07 0.00 0.00 179.97 177.91 2k7o s GLU 21 N -2.76 0.38 0.00 0.04 -6.30 -1.26 -5.13 118.70 103.68 2k7o s GLU 21 Ca -0.13 0.75 0.00 0.00 -2.50 0.00 0.00 54.97 53.09 2k7o s GLU 21 Cb 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 34.13 34.14 2k7o s GLU 21 CO 0.83 -0.15 0.00 0.41 0.02 0.00 0.00 175.26 176.38 2k7o n GLY 22 N 4.13 -3.92 3.80 -1.50 0.00 -1.26 -4.87 105.19 101.57 2k7o n GLY 22 Ca -0.23 -1.99 -0.34 0.00 0.00 0.00 0.00 46.02 43.47 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 -0.48 6.44 0.46 1.61 1.01 -1.26 -4.86 116.67 119.59 2k7o s ASP 23 Ca 0.00 1.90 -0.23 0.00 0.71 0.00 0.00 52.55 54.93 2k7o s ASP 23 Cb 0.00 -2.56 -0.07 0.00 1.01 0.00 0.00 42.92 41.30 2k7o s ASP 23 CO 0.00 -0.71 1.16 -0.54 0.21 0.00 0.00 175.17 175.28 2k7o s LYS 24 N -3.20 3.77 0.00 8.23 1.02 -1.26 -3.17 119.74 125.13 2k7o s LYS 24 Ca 0.66 1.75 0.00 0.00 0.02 0.00 0.00 55.97 58.41 2k7o s LYS 24 Cb -0.15 -2.40 0.00 0.00 -0.52 0.00 0.00 37.83 34.75 2k7o s LYS 24 CO 0.19 -0.54 0.00 -2.39 -0.92 0.00 0.00 175.35 171.69 2k7o n HIS 25 N -0.49 0.00 -3.35 3.18 1.44 -1.26 -5.02 115.22 109.72 2k7o n HIS 25 Ca 0.07 0.00 -0.10 0.00 -2.01 0.00 0.00 57.72 55.69 2k7o n HIS 25 Cb 0.48 -0.56 -0.08 0.00 0.12 0.00 0.00 29.99 29.96 2k7o n HIS 25 CO 0.00 0.00 0.00 0.21 -2.81 0.00 0.00 176.34 173.74 2k7o s LYS 26 N -2.23 0.35 -0.27 -1.40 2.20 -1.19 -4.49 119.74 112.71 2k7o s LYS 26 Ca 0.00 0.43 -0.14 0.00 -0.36 0.00 0.00 55.97 55.89 2k7o s LYS 26 Cb 0.00 -0.48 -0.04 0.00 -1.51 0.00 0.00 37.83 35.80 2k7o s LYS 26 CO 0.00 -0.73 0.34 -0.51 -0.36 0.00 0.00 175.35 174.09 2k7o s LEU 27 N 2.53 4.04 0.51 5.43 1.02 -1.20 -4.67 118.68 126.34 2k7o s LEU 27 Ca 0.12 0.24 -0.00 0.00 0.02 0.00 0.00 54.13 54.51 2k7o s LEU 27 Cb -0.15 -2.37 0.01 0.00 0.02 0.00 0.00 46.19 43.71 2k7o s LEU 27 CO -0.19 -0.15 0.74 -0.75 0.02 0.00 0.00 176.35 176.02 2k7o s LYS 28 N 1.95 2.82 0.26 1.70 2.20 -1.26 -2.20 119.74 125.20 2k7o s LYS 28 Ca 0.14 -0.56 -0.02 0.00 -0.36 0.00 0.00 55.97 55.17 2k7o s LYS 28 Cb -0.16 -2.49 0.51 0.00 -1.51 0.00 0.00 37.83 34.18 2k7o s LYS 28 CO 0.10 -0.51 1.76 0.87 -0.36 0.00 0.00 175.35 177.21 2k7o h LYS 29 N 0.19 0.60 -0.98 4.03 1.57 -1.98 0.35 116.57 120.34 2k7o h LYS 29 Ca -0.44 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.31 2k7o h LYS 29 Cb 1.27 -0.13 -0.05 0.00 0.08 0.00 0.00 32.23 33.40 2k7o h LYS 29 CO 0.56 0.40 0.65 0.77 -0.57 0.00 0.00 179.45 181.25 2k7o h SER 30 N 0.62 1.12 -0.41 0.86 0.02 -1.99 -0.66 113.55 113.11 2k7o h SER 30 Ca 0.45 -0.03 -0.13 0.00 -0.84 0.00 0.00 61.79 61.24 2k7o h SER 30 Cb 0.62 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.87 2k7o h SER 30 CO -0.36 0.81 -0.22 -0.33 -1.14 0.00 0.00 176.83 175.60 2k7o h GLU 31 N 1.32 0.92 -0.39 3.45 5.08 -0.92 -2.62 114.58 121.42 2k7o h GLU 31 Ca 0.36 -0.39 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 2k7o h GLU 31 Cb -0.15 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.05 2k7o h GLU 31 CO -0.08 1.04 0.20 1.25 -1.00 0.00 0.00 179.01 180.42 2k7o h LEU 32 N 0.79 0.49 -1.01 1.33 7.12 0.54 -1.96 115.31 122.62 2k7o h LEU 32 Ca 0.10 -0.11 0.01 0.00 0.13 0.00 0.00 57.88 58.02 2k7o h LEU 32 Cb 0.78 -0.13 -0.05 0.00 -0.53 0.00 0.00 40.66 40.73 2k7o h LEU 32 CO 0.06 0.46 0.67 0.50 -0.13 0.00 0.00 178.44 180.00 2k7o h LYS 33 N 0.49 1.32 -0.61 1.25 3.64 -1.05 -1.98 116.57 119.64 2k7o h LYS 33 Ca 0.13 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 2k7o h LYS 33 Cb 0.08 -0.30 -0.03 0.00 -0.41 0.00 0.00 32.23 31.58 2k7o h LYS 33 CO -0.02 0.88 0.35 0.93 -2.27 0.00 0.00 179.45 179.32 2k7o h GLU 34 N 1.36 0.83 -0.17 1.90 5.08 -1.07 0.68 114.58 123.20 2k7o h GLU 34 Ca 0.37 -0.09 0.01 0.00 -1.00 0.00 0.00 59.36 58.65 2k7o h GLU 34 Cb -0.16 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 28.91 2k7o h GLU 34 CO -0.08 0.61 0.09 1.25 -1.00 0.00 0.00 179.01 179.88 2k7o h LEU 35 N 0.82 0.14 -0.56 1.33 7.12 -0.65 0.42 115.31 123.92 2k7o h LEU 35 Ca 0.22 0.00 -0.11 0.00 0.13 0.00 0.00 57.88 58.12 2k7o h LEU 35 Cb 0.01 -0.02 -0.02 0.00 -0.53 0.00 0.00 40.66 40.10 2k7o h LEU 35 CO -0.04 0.10 -0.07 0.40 -0.13 0.00 0.00 178.44 178.70 2k7o h ILE 36 N 0.19 1.27 0.00 4.05 2.04 -1.16 -2.95 117.51 120.95 2k7o h ILE 36 Ca 0.07 -1.23 -0.01 0.00 1.00 0.00 0.00 64.86 64.68 2k7o h ILE 36 Cb 0.01 0.92 -0.00 0.00 -0.74 0.00 0.00 36.82 37.00 2k7o h ILE 36 CO -0.04 0.44 -0.06 0.78 0.00 0.00 0.00 178.15 179.27 2k7o h ASN 37 N 0.92 0.00 0.82 1.72 -0.26 -0.52 -3.12 115.58 115.14 2k7o h ASN 37 Ca 0.15 0.00 -0.04 0.00 -0.56 0.00 0.00 56.30 55.85 2k7o h ASN 37 Cb 0.64 0.00 0.01 0.00 -1.06 0.00 0.00 38.32 37.91 2k7o h ASN 37 CO 0.04 0.06 -0.39 -1.13 -1.06 0.00 0.00 177.43 174.95 2k7o h ASN 38 N 0.00 -0.93 0.00 5.81 -0.00 0.02 -3.43 115.58 117.04 2k7o h ASN 38 Ca -0.00 0.03 0.00 0.00 -0.00 0.00 0.00 56.30 56.33 2k7o h ASN 38 Cb 0.81 0.24 0.00 0.00 -0.00 0.00 0.00 38.32 39.38 2k7o h ASN 38 CO 0.01 -0.65 0.00 -0.62 -0.00 0.00 0.00 177.43 176.17 2k7o n GLU 39 N -5.03 1.96 -2.70 6.67 -0.58 -1.26 -5.04 120.64 114.67 2k7o n GLU 39 Ca -0.14 0.00 -0.43 0.00 -0.42 0.00 0.00 57.16 56.17 2k7o n GLU 39 Cb 0.43 -0.16 -0.03 0.00 -0.57 0.00 0.00 31.44 31.11 2k7o n GLU 39 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2k7o s LEU 40 N 0.00 3.83 0.00 -4.62 2.01 -1.18 -4.54 118.68 114.18 2k7o s LEU 40 Ca 0.00 0.44 0.00 0.00 0.01 0.00 0.00 54.13 54.58 2k7o s LEU 40 Cb 0.00 -3.40 0.00 0.00 0.01 0.00 0.00 46.19 42.80 2k7o s LEU 40 CO 0.00 -1.09 0.00 -0.24 1.01 0.00 0.00 176.35 176.03 2k7o n SER 41 N 7.38 0.00 -0.13 2.29 2.88 -1.26 -4.43 113.62 120.35 2k7o n SER 41 Ca 0.10 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.59 2k7o n SER 41 Cb 0.48 0.00 0.15 0.00 -0.75 0.00 0.00 64.21 64.10 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 0.89 -0.02 0.66 3.86 -1.97 -2.71 115.15 115.86 2k7o h HIS 42 Ca 0.00 -0.12 0.00 0.00 -1.16 0.00 0.00 60.37 59.09 2k7o h HIS 42 Cb 0.00 -0.25 0.00 0.00 1.06 0.00 0.00 27.41 28.22 2k7o h HIS 42 CO 0.00 0.79 -0.26 1.19 0.86 0.00 0.00 177.93 180.51 2k7o n PHE 43 N -4.22 0.00 -4.81 2.45 3.01 -1.26 -4.91 117.46 107.71 2k7o n PHE 43 Ca 0.03 0.00 -0.33 0.00 1.01 0.00 0.00 57.45 58.16 2k7o n PHE 43 Cb 0.29 -0.01 -0.13 0.00 -0.01 0.00 0.00 39.48 39.62 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 -2.28 2.80 0.51 4.37 2.01 -1.02 -5.09 118.68 119.99 2k7o s LEU 44 Ca 0.23 -0.19 -0.20 0.00 0.01 0.00 0.00 54.13 53.98 2k7o s LEU 44 Cb 0.19 -1.59 -0.07 0.00 0.01 0.00 0.00 46.19 44.73 2k7o s LEU 44 CO 0.46 0.34 1.08 -1.83 1.01 0.00 0.00 176.35 177.40 2k7o s GLU 45 N -0.85 3.63 0.33 1.70 -1.05 -1.26 -4.67 118.70 116.53 2k7o s GLU 45 Ca 0.12 1.48 -0.29 0.00 -0.15 0.00 0.00 54.97 56.13 2k7o s GLU 45 Cb -0.11 -2.08 -0.11 0.00 -0.44 0.00 0.00 34.13 31.40 2k7o s GLU 45 CO 0.01 -0.60 1.43 -1.21 0.95 0.00 0.00 175.26 175.84 2k7o s GLU 46 N -3.22 4.23 -0.24 -4.83 2.02 -1.26 -4.99 118.70 110.40 2k7o s GLU 46 Ca 0.69 2.40 -0.07 0.00 0.02 0.00 0.00 54.97 58.02 2k7o s GLU 46 Cb -0.20 -3.04 -0.02 0.00 0.10 0.00 0.00 34.13 30.97 2k7o s GLU 46 CO 0.23 -0.40 0.05 0.42 0.02 0.00 0.00 175.26 175.58 2k7o s ILE 47 N -0.81 4.11 -0.16 -1.63 1.01 -1.26 -4.95 121.20 117.51 2k7o s ILE 47 Ca 0.54 -0.24 0.14 0.00 0.00 0.00 0.00 60.65 61.09 2k7o s ILE 47 Cb -0.43 -2.91 -0.20 0.00 0.01 0.00 0.00 42.46 38.93 2k7o s ILE 47 CO 0.54 0.36 0.05 1.17 0.00 0.00 0.00 174.94 177.07 2k7o n LYS 48 N 4.88 1.39 -5.22 2.79 4.81 -1.26 -4.96 118.16 120.58 2k7o n LYS 48 Ca -0.17 -0.01 -0.30 0.00 -0.87 0.00 0.00 58.31 56.96 2k7o n LYS 48 Cb 0.51 -1.41 -0.16 0.00 0.02 0.00 0.00 35.03 33.99 2k7o n LYS 48 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 2k7o s GLU 49 N -2.39 2.23 0.39 1.64 2.02 -1.26 -5.01 118.70 116.32 2k7o s GLU 49 Ca -0.08 -0.87 0.06 0.00 0.02 0.00 0.00 54.97 54.10 2k7o s GLU 49 Cb 0.05 -2.01 0.78 0.00 0.10 0.00 0.00 34.13 33.05 2k7o s GLU 49 CO 0.65 0.45 2.01 0.37 0.02 0.00 0.00 175.26 178.76 2k7o h GLN 50 N 5.81 0.55 -1.42 1.61 4.15 -2.01 -1.34 115.11 122.46 2k7o h GLN 50 Ca -0.37 -0.05 0.41 0.00 0.77 0.00 0.00 58.65 59.41 2k7o h GLN 50 Cb 1.15 -0.11 -0.06 0.00 0.21 0.00 0.00 27.48 28.67 2k7o h GLN 50 CO 0.47 0.42 1.03 0.93 -1.93 0.00 0.00 178.83 179.74 2k7o h GLU 51 N 0.56 0.00 -0.17 1.69 5.08 -2.00 2.38 114.58 122.11 2k7o h GLU 51 Ca 0.14 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.38 2k7o h GLU 51 Cb 0.04 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 2k7o h GLU 51 CO -0.02 0.00 -0.44 0.28 -1.00 0.00 0.00 179.01 177.83 2k7o h VAL 52 N 0.00 1.32 -0.34 3.13 2.07 -1.66 -2.66 116.25 118.11 2k7o h VAL 52 Ca 0.67 -1.62 -0.04 0.00 0.82 0.00 0.00 66.70 66.54 2k7o h VAL 52 Cb 2.72 1.67 -0.01 0.00 -1.52 0.00 0.00 31.29 34.14 2k7o h VAL 52 CO -0.01 0.50 0.06 0.58 0.02 0.00 0.00 177.57 178.72 2k7o h VAL 53 N 0.34 1.23 -0.91 2.57 2.07 0.39 -2.17 116.25 119.77 2k7o h VAL 53 Ca 0.02 -0.81 0.01 0.00 0.82 0.00 0.00 66.70 66.74 2k7o h VAL 53 Cb 0.91 1.11 -0.05 0.00 -1.52 0.00 0.00 31.29 31.75 2k7o h VAL 53 CO 0.08 0.27 0.60 0.44 0.02 0.00 0.00 177.57 178.98 2k7o h ASP 54 N 0.39 1.05 -0.19 0.57 3.32 -1.29 0.25 116.42 120.51 2k7o h ASP 54 Ca 0.10 -0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.12 2k7o h ASP 54 Cb 0.34 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 2k7o h ASP 54 CO 0.01 0.76 0.11 0.50 -1.72 0.00 0.00 179.24 178.90 2k7o h LYS 55 N 1.24 0.26 -0.60 3.56 3.64 -1.25 0.36 116.57 123.77 2k7o h LYS 55 Ca 0.33 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.61 2k7o h LYS 55 Cb -0.14 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.60 2k7o h LYS 55 CO -0.07 0.23 0.09 0.28 -2.27 0.00 0.00 179.45 177.71 2k7o h VAL 56 N 0.22 1.26 -0.47 2.00 2.07 -0.84 -2.00 116.25 118.49 2k7o h VAL 56 Ca 0.07 -1.01 -0.14 0.00 0.82 0.00 0.00 66.70 66.44 2k7o h VAL 56 Cb 0.04 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 2k7o h VAL 56 CO -0.01 0.37 -0.24 0.24 0.02 0.00 0.00 177.57 177.95 2k7o h MET 57 N 0.91 1.00 0.00 1.57 2.86 -0.20 0.35 114.93 121.42 2k7o h MET 57 Ca 0.18 -0.44 -0.00 0.00 -2.06 0.00 0.00 59.70 57.38 2k7o h MET 57 Cb 0.44 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.07 2k7o h MET 57 CO 0.01 1.12 -0.00 1.49 1.06 0.00 0.00 176.91 180.59 2k7o h GLU 58 N 0.85 -0.00 -0.40 1.72 4.81 -0.09 2.21 114.58 123.67 2k7o h GLU 58 Ca 0.10 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.18 2k7o h GLU 58 Cb 0.83 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.20 2k7o h GLU 58 CO 0.07 0.01 -0.36 1.15 -0.73 0.00 0.00 179.01 179.15 2k7o h THR 59 N -0.01 1.27 -0.37 0.32 2.02 -1.30 -3.08 112.91 111.76 2k7o h THR 59 Ca -0.00 -1.53 -0.17 0.00 0.77 0.00 0.00 66.41 65.48 2k7o h THR 59 Cb 0.01 1.34 -0.00 0.00 -1.74 0.00 0.00 68.15 67.75 2k7o h THR 59 CO 0.00 0.52 -0.42 0.25 0.37 0.00 0.00 175.52 176.23 2k7o h LEU 60 N 0.79 1.01 -6.33 2.58 5.85 -0.01 -3.35 115.31 115.85 2k7o h LEU 60 Ca 0.07 -0.48 -0.67 0.00 0.84 0.00 0.00 57.88 57.64 2k7o h LEU 60 Cb 0.96 -0.28 0.01 0.00 0.37 0.00 0.00 40.66 41.71 2k7o h LEU 60 CO 0.09 1.29 2.63 -0.67 -0.34 0.00 0.00 178.44 181.44 2k7o n ASP 61 N -4.05 3.14 0.08 1.25 -0.08 0.74 -4.59 116.55 113.05 2k7o n ASP 61 Ca -0.03 -2.75 -0.04 0.00 -1.51 0.00 0.00 54.79 50.46 2k7o n ASP 61 Cb 0.57 -1.37 0.16 0.00 2.34 0.00 0.00 41.12 42.82 2k7o n ASP 61 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 2k7o h GLU 62 N 7.12 0.27 -1.00 -0.67 4.57 -1.76 -3.05 114.58 120.05 2k7o h GLU 62 Ca 0.48 -0.15 0.01 0.00 -1.18 0.00 0.00 59.36 58.52 2k7o h GLU 62 Cb 0.67 0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 29.22 2k7o h GLU 62 CO 1.91 0.72 0.66 0.38 -1.18 0.00 0.00 179.01 181.50 2k7o h ASP 63 N 0.21 1.15 -1.67 1.04 2.03 -1.95 -3.48 116.42 113.75 2k7o h ASP 63 Ca 0.01 -0.03 0.00 0.00 -0.73 0.00 0.00 57.03 56.28 2k7o h ASP 63 Cb 0.98 -0.29 0.00 0.00 -0.83 0.00 0.00 39.33 39.19 2k7o h ASP 63 CO 0.08 0.83 0.00 0.61 -1.03 0.00 0.00 179.24 179.73 2k7o n GLY 64 N -1.38 -1.55 0.00 7.15 0.00 -1.16 -5.05 105.19 103.20 2k7o n GLY 64 Ca 0.12 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.68 2k7o n GLY 64 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2k7o n ASP 65 N -0.02 0.00 0.00 1.61 5.75 -1.26 -4.99 116.55 117.63 2k7o n ASP 65 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 2k7o n ASP 65 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 2k7o n ASP 65 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2k7o n GLY 66 N 0.00 0.99 3.17 6.12 0.00 -1.26 -4.98 105.19 109.23 2k7o n GLY 66 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 2k7o n GLY 66 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k7o s GLU 67 N -0.02 1.00 -0.47 1.61 2.02 -1.26 -4.60 118.70 116.98 2k7o s GLU 67 Ca 0.00 -1.47 -0.12 0.00 0.02 0.00 0.00 54.97 53.40 2k7o s GLU 67 Cb 0.00 0.26 0.10 0.00 0.10 0.00 0.00 34.13 34.58 2k7o s GLU 67 CO 0.00 -0.30 0.36 0.00 0.02 0.00 0.00 175.26 175.34 2k7o s ASP 69 N 2.65 1.22 0.08 0.00 -4.77 -1.26 -3.22 116.67 111.37 2k7o s ASP 69 Ca 0.04 0.65 -0.23 0.00 -3.30 0.00 0.00 52.55 49.71 2k7o s ASP 69 Cb -0.25 -0.92 -0.15 0.00 -1.09 0.00 0.00 42.92 40.51 2k7o s ASP 69 CO 0.03 -3.94 1.72 0.15 0.70 0.00 0.00 175.17 173.82 2k7o h PHE 70 N -2.45 -0.02 0.15 2.11 3.04 -1.98 0.36 116.94 118.14 2k7o h PHE 70 Ca -0.46 -0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.49 2k7o h PHE 70 Cb 1.29 0.01 0.00 0.00 2.56 0.00 0.00 35.95 39.81 2k7o h PHE 70 CO -1.85 0.01 -0.07 1.96 -2.02 0.00 0.00 178.31 176.34 2k7o h GLN 71 N -0.04 -0.20 -0.64 1.11 4.20 -1.98 -1.96 115.11 115.60 2k7o h GLN 71 Ca -0.00 0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.73 2k7o h GLN 71 Cb 0.04 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.83 2k7o h GLN 71 CO 0.00 -0.13 0.43 1.49 -0.67 0.00 0.00 178.83 179.95 2k7o h GLU 72 N -0.21 0.85 -1.00 1.46 4.81 -1.89 -1.31 114.58 117.29 2k7o h GLU 72 Ca -0.02 -0.05 0.26 0.00 -0.13 0.00 0.00 59.36 59.42 2k7o h GLU 72 Cb 0.16 -0.19 -0.13 0.00 0.63 0.00 0.00 28.75 29.22 2k7o h GLU 72 CO 0.03 0.56 0.59 0.35 -0.73 0.00 0.00 179.01 179.82 2k7o h PHE 73 N 0.87 0.99 0.00 0.92 3.57 0.27 2.26 116.94 125.83 2k7o h PHE 73 Ca 0.24 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.74 2k7o h PHE 73 Cb -0.10 -0.28 -0.00 0.00 2.79 0.00 0.00 35.95 38.35 2k7o h PHE 73 CO -0.03 0.01 -0.15 0.52 -2.23 0.00 0.00 178.31 176.43 2k7o h MET 74 N 0.52 0.00 0.43 1.11 2.86 -0.50 -1.27 114.93 118.08 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 1.34 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.00 2k7o h MET 74 CO -0.51 0.15 -0.21 0.00 1.06 0.00 0.00 176.91 177.41 2k7o h ALA 75 N 1.85 -0.58 -0.97 6.32 0.00 0.39 0.39 119.26 126.66 2k7o h ALA 75 Ca -0.00 -0.18 0.08 0.00 0.00 0.00 0.00 54.91 54.82 2k7o h ALA 75 Cb 0.27 0.22 -0.07 0.00 0.00 0.00 0.00 17.79 18.21 2k7o h ALA 75 CO 0.02 -0.72 0.62 0.35 0.00 0.00 0.00 179.25 179.51 2k7o h PHE 76 N -0.79 1.13 -0.43 0.00 3.04 -1.04 1.85 116.94 120.71 2k7o h PHE 76 Ca -0.06 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 61.91 2k7o h PHE 76 Cb 0.54 -0.37 -0.02 0.00 2.56 0.00 0.00 35.95 38.66 2k7o h PHE 76 CO -0.00 0.53 0.21 0.28 -2.02 0.00 0.00 178.31 177.32 2k7o h VAL 77 N 1.07 1.17 -0.26 1.41 2.07 -0.98 -1.30 116.25 119.42 2k7o h VAL 77 Ca 0.44 -0.47 -0.08 0.00 0.82 0.00 0.00 66.70 67.41 2k7o h VAL 77 Cb 0.28 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 2k7o h VAL 77 CO -0.21 0.18 -0.16 0.77 0.02 0.00 0.00 177.57 178.18 2k7o h SER 78 N 0.55 0.59 -1.01 0.57 4.64 0.25 -2.85 113.55 116.29 2k7o h SER 78 Ca 0.15 -0.43 0.06 0.00 -0.47 0.00 0.00 61.79 61.10 2k7o h SER 78 Cb 0.10 -0.16 -0.07 0.00 -0.31 0.00 0.00 62.40 61.96 2k7o h SER 78 CO -0.02 0.89 0.65 0.24 -0.87 0.00 0.00 176.83 177.72 2k7o h MET 79 N 0.29 1.16 0.00 4.77 2.07 0.30 2.35 114.93 125.87 2k7o h MET 79 Ca 0.05 -0.07 -0.04 0.00 -2.07 0.00 0.00 59.70 57.57 2k7o h MET 79 Cb 0.69 -0.26 -0.01 0.00 -1.87 0.00 0.00 31.60 30.15 2k7o h MET 79 CO 0.05 0.77 -0.21 0.28 1.07 0.00 0.00 176.91 178.86 2k7o h VAL 80 N 1.20 1.01 0.10 -2.22 2.07 -1.18 1.47 116.25 118.69 2k7o h VAL 80 Ca 0.43 -0.77 -0.22 0.00 0.82 0.00 0.00 66.70 66.96 2k7o h VAL 80 Cb 0.13 1.43 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 2k7o h VAL 80 CO -0.16 0.21 -1.07 0.74 0.02 0.00 0.00 177.57 177.30 2k7o h THR 81 N 0.00 1.24 0.00 2.57 2.02 -0.18 -2.99 112.91 115.57 2k7o h THR 81 Ca -0.00 -2.42 0.00 0.00 0.77 0.00 0.00 66.41 64.76 2k7o h THR 81 Cb 0.41 2.88 0.00 0.00 -1.74 0.00 0.00 68.15 69.71 2k7o h THR 81 CO 0.03 0.66 0.00 0.74 0.37 0.00 0.00 175.52 177.32 2k7o h THR 82 N -0.46 0.00 0.05 3.16 2.02 0.41 -3.23 112.91 114.86 2k7o h THR 82 Ca -0.23 -0.52 -0.17 0.00 0.77 0.00 0.00 66.41 66.26 2k7o h THR 82 Cb 1.60 1.45 -0.01 0.00 -1.74 0.00 0.00 68.15 69.46 2k7o h THR 82 CO 0.05 0.00 -0.86 0.00 0.37 0.00 0.00 175.52 175.09 2k7o h ALA 83 N 2.13 0.11 -2.62 6.16 0.00 0.20 -3.46 119.26 121.78 2k7o h ALA 83 Ca 0.00 -0.89 -0.53 0.00 0.00 0.00 0.00 54.91 53.49 2k7o h ALA 83 Cb 0.59 0.35 0.03 0.00 0.00 0.00 0.00 17.79 18.76 2k7o h ALA 83 CO 0.00 0.48 0.68 0.00 0.00 0.00 0.00 179.25 180.41 2k7o s HIS 85 N 0.58 3.54 0.28 0.00 2.46 -1.26 -4.92 115.29 115.96 2k7o s HIS 85 Ca 0.60 1.62 -0.30 0.00 0.47 0.00 0.00 55.06 57.45 2k7o s HIS 85 Cb -0.37 -2.82 -0.11 0.00 -0.13 0.00 0.00 32.58 29.15 2k7o s HIS 85 CO 0.35 0.12 1.61 -1.83 -2.47 0.00 0.00 174.74 172.52 2k7o s GLU 86 N -2.47 4.12 0.00 2.88 -1.05 -1.26 -4.88 118.70 116.05 2k7o s GLU 86 Ca 0.53 2.58 0.26 0.00 -0.15 0.00 0.00 54.97 58.19 2k7o s GLU 86 Cb -0.15 -3.03 0.60 0.00 -0.44 0.00 0.00 34.13 31.11 2k7o s GLU 86 CO 0.19 -0.65 1.48 1.19 0.95 0.00 0.00 175.26 178.42 2k7o n PHE 87 N 2.47 0.00 0.33 4.83 3.01 -1.26 -4.10 117.46 122.73 2k7o n PHE 87 Ca 0.09 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.56 2k7o n PHE 87 Cb 0.37 -0.02 0.12 0.00 -0.01 0.00 0.00 39.48 39.94 2k7o n PHE 87 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 2k7o n PHE 88 N 0.30 0.79 -1.77 1.38 3.72 -1.26 -4.92 117.46 115.70 2k7o n PHE 88 Ca 0.15 -0.39 -0.41 0.00 -0.05 0.00 0.00 57.45 56.74 2k7o n PHE 88 Cb 0.44 -0.29 -0.01 0.00 -0.94 0.00 0.00 39.48 38.67 2k7o n PHE 88 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 2k7o s GLU 89 N -1.51 4.11 0.14 -1.08 2.12 -1.26 -4.98 118.70 116.23 2k7o s GLU 89 Ca 0.19 2.60 -0.18 0.00 0.36 0.00 0.00 54.97 57.93 2k7o s GLU 89 Cb 0.15 -3.00 0.05 0.00 0.26 0.00 0.00 34.13 31.58 2k7o s GLU 89 CO 0.05 -0.62 0.46 -1.58 -0.54 0.00 0.00 175.26 173.03 2k7o s HIS 90 N -0.31 -0.31 -2.00 5.30 2.46 -1.26 -5.22 115.29 113.95 2k7o s HIS 90 Ca 0.61 0.03 0.11 0.00 0.47 0.00 0.00 55.06 56.27 2k7o s HIS 90 Cb -0.48 0.36 0.63 0.00 -0.13 0.00 0.00 32.58 32.96 2k7o s HIS 90 CO 0.52 -0.75 1.07 0.39 -2.47 0.00 0.00 174.74 173.51