#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 0.79 -0.16 -1.46 4.81 -2.06 -1.01 114.58 115.49 2k7o h GLU 2 Ca 0.00 -0.05 -0.14 0.00 -0.13 0.00 0.00 59.36 59.04 2k7o h GLU 2 Cb 0.00 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.19 2k7o h GLU 2 CO 0.00 0.52 -0.51 1.25 -0.73 0.00 0.00 179.01 179.55 2k7o h LEU 3 N 0.81 0.48 -0.43 1.64 7.12 -2.06 -3.01 115.31 119.86 2k7o h LEU 3 Ca 0.30 -0.24 -0.02 0.00 0.13 0.00 0.00 57.88 58.05 2k7o h LEU 3 Cb 0.15 -0.14 -0.02 0.00 -0.53 0.00 0.00 40.66 40.13 2k7o h LEU 3 CO -0.09 0.90 0.19 -0.08 -0.13 0.00 0.00 178.44 179.23 2k7o h GLU 4 N 0.34 0.62 -0.93 1.25 4.81 -1.65 -2.30 114.58 116.72 2k7o h GLU 4 Ca 0.01 -0.10 -0.00 0.00 -0.13 0.00 0.00 59.36 59.14 2k7o h GLU 4 Cb 1.01 -0.11 -0.05 0.00 0.63 0.00 0.00 28.75 30.23 2k7o h GLU 4 CO 0.09 0.55 0.57 0.87 -0.73 0.00 0.00 179.01 180.36 2k7o h LYS 5 N 0.55 1.26 -0.31 1.92 1.57 -1.40 -0.18 116.57 119.98 2k7o h LYS 5 Ca 0.14 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2k7o h LYS 5 Cb 0.14 -0.27 -0.02 0.00 0.08 0.00 0.00 32.23 32.17 2k7o h LYS 5 CO -0.02 0.88 0.21 0.00 -0.57 0.00 0.00 179.45 179.95 2k7o h ALA 6 N 1.34 0.40 0.10 3.86 0.00 -1.34 0.31 119.26 123.93 2k7o h ALA 6 Ca 0.34 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 2k7o h ALA 6 Cb -0.07 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.60 2k7o h ALA 6 CO -0.06 -0.13 -0.05 0.52 0.00 0.00 0.00 179.25 179.52 2k7o h MET 7 N 0.42 -0.13 -0.96 0.00 2.86 -0.86 -2.24 114.93 114.02 2k7o h MET 7 Ca 0.11 0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.77 2k7o h MET 7 Cb -0.04 0.03 -0.05 0.00 0.06 0.00 0.00 31.60 31.60 2k7o h MET 7 CO -0.02 0.03 0.63 0.28 1.06 0.00 0.00 176.91 178.89 2k7o h VAL 8 N -0.28 1.25 -0.82 -2.22 2.07 -0.83 -1.82 116.25 113.60 2k7o h VAL 8 Ca -0.01 -0.46 0.01 0.00 0.82 0.00 0.00 66.70 67.05 2k7o h VAL 8 Cb 0.23 -0.16 -0.04 0.00 -1.52 0.00 0.00 31.29 29.80 2k7o h VAL 8 CO 0.02 0.24 0.54 0.00 0.02 0.00 0.00 177.57 178.40 2k7o h ALA 9 N 1.39 1.05 -0.29 1.67 0.00 -0.20 -1.94 119.26 120.94 2k7o h ALA 9 Ca 0.35 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.21 2k7o h ALA 9 Cb -0.14 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.31 2k7o h ALA 9 CO -0.07 0.45 0.19 1.25 0.00 0.00 0.00 179.25 181.06 2k7o h LEU 10 N 1.11 0.33 0.12 0.00 5.85 -0.72 -0.28 115.31 121.72 2k7o h LEU 10 Ca 0.30 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 59.00 2k7o h LEU 10 Cb -0.12 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 40.83 2k7o h LEU 10 CO -0.07 0.25 -0.07 0.40 -0.34 0.00 0.00 178.44 178.62 2k7o h ILE 11 N 0.39 0.86 -0.99 4.05 2.04 -1.10 0.62 117.51 123.38 2k7o h ILE 11 Ca 0.11 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.01 2k7o h ILE 11 Cb -0.03 0.86 -0.06 0.00 -0.74 0.00 0.00 36.82 36.85 2k7o h ILE 11 CO -0.02 0.00 0.65 -0.78 0.00 0.00 0.00 178.15 177.99 2k7o h ASP 12 N -0.18 1.07 -0.46 1.72 1.82 -1.23 -0.77 116.42 118.40 2k7o h ASP 12 Ca -0.01 -0.01 -0.14 0.00 -0.39 0.00 0.00 57.03 56.48 2k7o h ASP 12 Cb 0.14 -0.24 -0.01 0.00 0.68 0.00 0.00 39.33 39.90 2k7o h ASP 12 CO 0.02 0.72 -0.26 0.58 -1.61 0.00 0.00 179.24 178.70 2k7o h VAL 13 N 1.23 1.27 0.73 2.25 2.07 -0.50 -2.62 116.25 120.68 2k7o h VAL 13 Ca 0.40 -1.43 -0.04 0.00 0.82 0.00 0.00 66.70 66.45 2k7o h VAL 13 Cb 0.03 1.18 0.01 0.00 -1.52 0.00 0.00 31.29 30.99 2k7o h VAL 13 CO -0.13 0.49 -0.35 0.15 0.02 0.00 0.00 177.57 177.75 2k7o h PHE 14 N 0.84 -0.91 -0.65 1.57 3.04 0.15 -2.12 116.94 118.87 2k7o h PHE 14 Ca 0.10 -0.02 0.01 0.00 3.98 0.00 0.00 57.97 62.03 2k7o h PHE 14 Cb 0.85 0.30 -0.03 0.00 2.56 0.00 0.00 35.95 39.62 2k7o h PHE 14 CO 0.06 -0.55 0.43 0.45 -2.02 0.00 0.00 178.31 176.67 2k7o h HIS 15 N -1.02 0.81 -0.70 0.41 3.86 -1.24 0.69 115.15 117.96 2k7o h HIS 15 Ca -0.10 0.02 -0.05 0.00 -1.16 0.00 0.00 60.37 59.08 2k7o h HIS 15 Cb 0.76 -0.27 -0.03 0.00 1.06 0.00 0.00 27.41 28.93 2k7o h HIS 15 CO -0.02 0.51 0.25 0.37 0.86 0.00 0.00 177.93 179.90 2k7o h GLN 16 N 0.87 1.07 -0.35 2.45 5.75 -1.47 0.89 115.11 124.33 2k7o h GLN 16 Ca 0.24 -0.21 -0.13 0.00 -0.15 0.00 0.00 58.65 58.39 2k7o h GLN 16 Cb -0.10 -0.16 -0.01 0.00 1.07 0.00 0.00 27.48 28.28 2k7o h GLN 16 CO -0.05 0.91 -0.29 -0.92 -2.65 0.00 0.00 178.83 175.83 2k7o h TYR 17 N 1.02 0.97 0.00 3.99 3.20 -1.08 -2.49 116.97 122.57 2k7o h TYR 17 Ca 0.23 -0.27 0.00 0.00 3.14 0.00 0.00 58.73 61.82 2k7o h TYR 17 Cb 0.26 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.32 2k7o h TYR 17 CO 0.02 1.05 0.00 0.66 -1.64 0.00 0.00 178.16 178.25 2k7o h SER 18 N 0.60 0.00 -0.14 -2.11 4.64 -0.60 -2.57 113.55 113.37 2k7o h SER 18 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 2k7o h SER 18 Cb 0.86 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.95 2k7o h SER 18 CO 0.07 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.64 2k7o n GLY 19 N -0.00 1.75 0.33 -0.77 0.00 0.29 -3.99 105.19 102.79 2k7o n GLY 19 Ca 0.01 -0.22 -0.07 0.00 0.00 0.00 0.00 46.02 45.74 2k7o n GLY 19 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2k7o h ARG 20 N 0.98 1.15 -6.67 1.61 9.65 -1.56 -3.43 114.38 116.12 2k7o h ARG 20 Ca 0.00 -0.26 -0.66 0.00 -1.10 0.00 0.00 59.98 57.96 2k7o h ARG 20 Cb 0.83 -0.16 -0.19 0.00 -1.39 0.00 0.00 29.97 29.05 2k7o h ARG 20 CO 0.11 0.99 -0.83 -2.00 2.80 0.00 0.00 179.97 181.05 2k7o s GLU 21 N -5.38 1.53 0.61 0.20 2.12 -1.26 -4.98 118.70 111.54 2k7o s GLU 21 Ca -0.12 -1.47 0.06 0.00 0.36 0.00 0.00 54.97 53.80 2k7o s GLU 21 Cb 0.15 -1.88 0.33 0.00 0.26 0.00 0.00 34.13 32.99 2k7o s GLU 21 CO 0.85 0.41 1.15 0.78 -0.54 0.00 0.00 175.26 177.91 2k7o h GLY 22 N 3.33 0.00 -7.56 -1.50 0.00 -1.91 -3.24 103.07 92.20 2k7o h GLY 22 Ca -0.47 0.00 -0.72 0.00 0.00 0.00 0.00 47.33 46.14 2k7o h GLY 22 CO 0.46 0.00 0.88 0.99 0.00 0.00 0.00 176.54 178.87 2k7o s ASP 23 N -3.21 6.78 0.28 0.19 1.01 -1.26 -5.01 116.67 115.45 2k7o s ASP 23 Ca -0.01 -2.40 -0.13 0.00 0.71 0.00 0.00 52.55 50.72 2k7o s ASP 23 Cb 0.02 -2.37 -0.08 0.00 1.01 0.00 0.00 42.92 41.49 2k7o s ASP 23 CO 0.05 -0.91 0.65 -1.59 0.21 0.00 0.00 175.17 173.59 2k7o s LYS 24 N 2.01 3.91 -0.35 8.23 -2.85 -1.23 -4.08 119.74 125.39 2k7o s LYS 24 Ca 0.34 0.49 -0.01 0.00 -1.00 0.00 0.00 55.97 55.79 2k7o s LYS 24 Cb -0.05 -2.53 0.00 0.00 -2.06 0.00 0.00 37.83 33.19 2k7o s LYS 24 CO -0.07 0.23 0.10 1.58 0.10 0.00 0.00 175.35 177.29 2k7o n HIS 25 N -0.25 -0.38 -3.38 1.78 -0.00 -1.26 -5.02 115.22 106.72 2k7o n HIS 25 Ca 0.02 0.09 -0.07 0.00 -0.00 0.00 0.00 57.72 57.75 2k7o n HIS 25 Cb 0.53 -1.74 -0.07 0.00 -0.00 0.00 0.00 29.99 28.71 2k7o n HIS 25 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.34 176.55 2k7o s LYS 26 N -4.64 0.37 -0.35 1.57 2.20 -1.26 -4.83 119.74 112.80 2k7o s LYS 26 Ca 0.05 0.68 -0.14 0.00 -0.36 0.00 0.00 55.97 56.19 2k7o s LYS 26 Cb -0.02 -0.22 -0.01 0.00 -1.51 0.00 0.00 37.83 36.07 2k7o s LYS 26 CO 0.06 -0.57 0.32 -0.51 -0.36 0.00 0.00 175.35 174.29 2k7o s LEU 27 N 2.60 4.55 0.45 5.43 2.01 -1.21 -5.01 118.68 127.49 2k7o s LEU 27 Ca 0.11 -0.38 0.02 0.00 0.01 0.00 0.00 54.13 53.89 2k7o s LEU 27 Cb -0.15 -2.26 0.00 0.00 0.01 0.00 0.00 46.19 43.80 2k7o s LEU 27 CO -0.16 -0.33 0.65 -0.75 1.01 0.00 0.00 176.35 176.77 2k7o s LYS 28 N 1.90 2.96 0.25 1.70 2.20 -1.26 -2.31 119.74 125.18 2k7o s LYS 28 Ca 0.09 -0.68 -0.06 0.00 -0.36 0.00 0.00 55.97 54.97 2k7o s LYS 28 Cb -0.17 -2.60 0.27 0.00 -1.51 0.00 0.00 37.83 33.82 2k7o s LYS 28 CO 0.11 -0.30 1.93 1.57 -0.36 0.00 0.00 175.35 178.30 2k7o h LYS 29 N 0.43 1.31 -0.67 4.03 2.10 -1.98 0.59 116.57 122.39 2k7o h LYS 29 Ca -0.45 -0.08 -0.07 0.00 -2.00 0.00 0.00 60.65 58.06 2k7o h LYS 29 Cb 1.26 -0.30 -0.03 0.00 -0.90 0.00 0.00 32.23 32.27 2k7o h LYS 29 CO 0.55 0.87 0.16 0.66 -2.00 0.00 0.00 179.45 179.69 2k7o h SER 30 N 1.35 1.01 0.26 7.07 4.64 -1.99 0.59 113.55 126.48 2k7o h SER 30 Ca 0.38 -0.21 -0.10 0.00 -0.47 0.00 0.00 61.79 61.39 2k7o h SER 30 Cb -0.13 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 61.68 2k7o h SER 30 CO -0.09 0.97 -0.40 -0.33 -0.87 0.00 0.00 176.83 176.11 2k7o h GLU 31 N 1.01 0.19 -0.34 4.77 5.08 -1.60 -2.39 114.58 121.30 2k7o h GLU 31 Ca 0.21 -0.09 -0.15 0.00 -1.00 0.00 0.00 59.36 58.33 2k7o h GLU 31 Cb 0.36 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.60 2k7o h GLU 31 CO 0.00 0.57 -0.39 1.25 -1.00 0.00 0.00 179.01 179.44 2k7o h LEU 32 N 0.16 0.94 -0.80 1.33 5.85 0.11 -1.86 115.31 121.04 2k7o h LEU 32 Ca 0.01 -0.48 -0.03 0.00 0.84 0.00 0.00 57.88 58.22 2k7o h LEU 32 Cb 0.79 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.51 2k7o h LEU 32 CO 0.06 1.23 0.37 0.50 -0.34 0.00 0.00 178.44 180.26 2k7o h LYS 33 N 0.67 1.17 -0.46 1.25 3.64 -0.64 -1.20 116.57 120.98 2k7o h LYS 33 Ca 0.05 -0.18 -0.09 0.00 -1.27 0.00 0.00 60.65 59.16 2k7o h LYS 33 Cb 0.98 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 32.58 2k7o h LYS 33 CO 0.09 0.91 -0.05 0.93 -2.27 0.00 0.00 179.45 179.06 2k7o h GLU 34 N 1.14 0.85 -0.16 1.90 5.08 -1.34 -2.04 114.58 120.02 2k7o h GLU 34 Ca 0.27 -0.30 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2k7o h GLU 34 Cb 0.14 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 2k7o h GLU 34 CO -0.03 0.93 0.10 1.25 -1.00 0.00 0.00 179.01 180.26 2k7o h LEU 35 N 0.69 0.18 -0.30 1.33 5.85 -0.87 -0.87 115.31 121.33 2k7o h LEU 35 Ca 0.12 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 2k7o h LEU 35 Cb 0.58 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 2k7o h LEU 35 CO 0.03 0.14 0.18 0.40 -0.34 0.00 0.00 178.44 178.86 2k7o h ILE 36 N 0.21 1.10 -0.64 4.05 2.04 -1.16 1.23 117.51 124.34 2k7o h ILE 36 Ca 0.06 -0.23 -0.01 0.00 1.00 0.00 0.00 64.86 65.68 2k7o h ILE 36 Cb -0.02 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 36.75 2k7o h ILE 36 CO -0.01 0.10 0.38 -1.13 0.00 0.00 0.00 178.15 177.48 2k7o h ASN 37 N 0.38 0.78 0.89 1.72 -1.24 -1.15 -1.76 115.58 115.20 2k7o h ASN 37 Ca 0.11 -0.07 -0.16 0.00 0.71 0.00 0.00 56.30 56.88 2k7o h ASN 37 Cb 0.00 -0.20 -0.03 0.00 0.73 0.00 0.00 38.32 38.83 2k7o h ASN 37 CO -0.02 0.63 -1.20 -1.13 -1.29 0.00 0.00 177.43 174.42 2k7o h ASN 38 N 0.87 0.00 0.00 1.15 -0.00 -0.95 -3.43 115.58 113.22 2k7o h ASN 38 Ca 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.53 2k7o h ASN 38 Cb -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.32 2k7o h ASN 38 CO -0.04 0.61 0.00 1.21 -0.00 0.00 0.00 177.43 179.21 2k7o n GLU 39 N -3.00 0.00 -3.58 6.67 4.07 0.42 -4.88 120.64 120.34 2k7o n GLU 39 Ca -0.07 0.15 -0.38 0.00 -0.06 0.00 0.00 57.16 56.80 2k7o n GLU 39 Cb 0.84 -0.55 -0.10 0.00 -0.06 0.00 0.00 31.44 31.57 2k7o n GLU 39 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 2k7o s LEU 40 N -3.07 4.04 0.09 4.31 1.43 -0.67 -4.91 118.68 119.91 2k7o s LEU 40 Ca 0.00 0.06 0.00 0.00 -1.03 0.00 0.00 54.13 53.16 2k7o s LEU 40 Cb 0.00 -2.16 0.00 0.00 0.03 0.00 0.00 46.19 44.06 2k7o s LEU 40 CO 0.00 -0.04 0.00 -1.20 0.23 0.00 0.00 176.35 175.34 2k7o n SER 41 N 4.93 0.49 0.26 2.29 7.64 -1.26 -4.33 113.62 123.64 2k7o n SER 41 Ca -0.13 0.14 0.15 0.00 1.01 0.00 0.00 58.87 60.04 2k7o n SER 41 Cb 0.52 -0.09 0.56 0.00 -1.01 0.00 0.00 64.21 64.18 2k7o n SER 41 CO 0.00 0.00 0.00 0.45 -3.01 0.00 0.00 175.04 172.48 2k7o h HIS 42 N 0.00 0.00 -0.04 1.43 3.86 -1.96 -2.74 115.15 115.71 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 0.29 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.76 2k7o h HIS 42 CO 0.00 0.03 0.00 1.19 0.86 0.00 0.00 177.93 180.01 2k7o n PHE 43 N -3.12 0.01 -3.92 2.45 3.01 -1.26 -4.93 117.46 109.70 2k7o n PHE 43 Ca 0.01 -0.01 -0.13 0.00 1.01 0.00 0.00 57.45 58.34 2k7o n PHE 43 Cb 0.37 -0.00 -0.14 0.00 -0.01 0.00 0.00 39.48 39.70 2k7o n PHE 43 CO 0.00 0.00 0.00 -1.17 1.01 0.00 0.00 176.76 176.60 2k7o s LEU 44 N -1.88 2.00 0.44 4.37 1.98 -1.03 -5.09 118.68 119.47 2k7o s LEU 44 Ca 0.27 -0.02 -0.22 0.00 -2.89 0.00 0.00 54.13 51.27 2k7o s LEU 44 Cb 0.19 -0.05 -0.09 0.00 0.66 0.00 0.00 46.19 46.90 2k7o s LEU 44 CO 0.28 0.01 1.03 -1.83 -1.89 0.00 0.00 176.35 173.95 2k7o s GLU 45 N -0.01 4.02 0.22 1.98 -1.05 -1.26 -4.57 118.70 118.02 2k7o s GLU 45 Ca 0.00 1.38 -0.30 0.00 -0.15 0.00 0.00 54.97 55.91 2k7o s GLU 45 Cb -0.00 -2.29 -0.09 0.00 -0.44 0.00 0.00 34.13 31.31 2k7o s GLU 45 CO -0.00 -0.25 1.10 -1.83 0.95 0.00 0.00 175.26 175.23 2k7o s GLU 46 N -2.92 4.61 -0.22 -4.83 -1.05 -1.26 -5.02 118.70 108.01 2k7o s GLU 46 Ca 0.63 1.76 -0.04 0.00 -0.15 0.00 0.00 54.97 57.16 2k7o s GLU 46 Cb -0.17 -3.24 -0.01 0.00 -0.44 0.00 0.00 34.13 30.27 2k7o s GLU 46 CO 0.22 0.14 -0.03 0.42 0.95 0.00 0.00 175.26 176.96 2k7o s ILE 47 N -0.64 3.51 -0.10 1.83 1.01 -1.26 -4.97 121.20 120.58 2k7o s ILE 47 Ca 0.47 -0.44 0.21 0.00 0.00 0.00 0.00 60.65 60.89 2k7o s ILE 47 Cb -0.31 -2.61 -0.24 0.00 0.01 0.00 0.00 42.46 39.32 2k7o s ILE 47 CO 0.37 0.41 0.58 1.17 0.00 0.00 0.00 174.94 177.48 2k7o n LYS 48 N 4.80 0.65 -3.75 2.79 4.81 -1.26 -4.89 118.16 121.31 2k7o n LYS 48 Ca -0.18 -0.07 -0.35 0.00 -0.87 0.00 0.00 58.31 56.84 2k7o n LYS 48 Cb 0.51 -1.61 -0.08 0.00 0.02 0.00 0.00 35.03 33.87 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 -3.32 4.17 0.30 1.64 8.01 -1.26 -4.97 118.70 123.26 2k7o s GLU 49 Ca -0.06 -0.23 0.08 0.00 0.01 0.00 0.00 54.97 54.77 2k7o s GLU 49 Cb 0.12 -3.40 0.47 0.00 -4.31 0.00 0.00 34.13 27.01 2k7o s GLU 49 CO 0.87 0.29 1.70 -0.56 0.01 0.00 0.00 175.26 177.56 2k7o h GLN 50 N 6.70 0.15 -0.05 1.61 3.07 -2.00 -2.79 115.11 121.80 2k7o h GLN 50 Ca -0.41 -0.07 0.01 0.00 0.09 0.00 0.00 58.65 58.27 2k7o h GLN 50 Cb 1.15 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.71 2k7o h GLN 50 CO 0.75 0.58 0.03 1.05 0.09 0.00 0.00 178.83 181.33 2k7o h GLU 51 N 0.12 0.00 -0.24 0.06 4.11 -1.99 0.23 114.58 116.87 2k7o h GLU 51 Ca 0.01 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 59.29 2k7o h GLU 51 Cb 0.86 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.10 2k7o h GLU 51 CO 0.07 0.00 -0.44 0.28 0.07 0.00 0.00 179.01 178.98 2k7o h VAL 52 N 0.00 1.30 -0.36 -1.06 2.07 -1.92 -2.07 116.25 114.22 2k7o h VAL 52 Ca 0.02 -1.63 -0.15 0.00 0.82 0.00 0.00 66.70 65.76 2k7o h VAL 52 Cb 0.09 1.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.45 2k7o h VAL 52 CO -0.00 0.52 -0.37 0.58 0.02 0.00 0.00 177.57 178.32 2k7o h VAL 53 N 0.48 1.28 -0.94 2.57 2.07 -0.72 -2.72 116.25 118.28 2k7o h VAL 53 Ca 0.03 -1.54 -0.00 0.00 0.82 0.00 0.00 66.70 66.01 2k7o h VAL 53 Cb 0.97 1.44 -0.05 0.00 -1.52 0.00 0.00 31.29 32.13 2k7o h VAL 53 CO 0.09 0.51 0.57 0.44 0.02 0.00 0.00 177.57 179.20 2k7o h ASP 54 N 0.68 1.12 -0.78 0.57 3.32 -0.55 -1.23 116.42 119.55 2k7o h ASP 54 Ca 0.06 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.04 2k7o h ASP 54 Cb 0.96 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 40.19 2k7o h ASP 54 CO 0.09 0.85 0.49 0.50 -1.72 0.00 0.00 179.24 179.45 2k7o h LYS 55 N 1.29 1.04 -0.92 3.56 3.64 -1.25 -1.16 116.57 122.77 2k7o h LYS 55 Ca 0.34 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.64 2k7o h LYS 55 Cb -0.07 -0.23 -0.05 0.00 -0.41 0.00 0.00 32.23 31.48 2k7o h LYS 55 CO -0.06 0.72 0.58 0.28 -2.27 0.00 0.00 179.45 178.70 2k7o h VAL 56 N 1.06 1.25 -0.58 2.00 2.07 -0.95 -1.26 116.25 119.84 2k7o h VAL 56 Ca 0.28 -0.50 -0.07 0.00 0.82 0.00 0.00 66.70 67.23 2k7o h VAL 56 Cb -0.07 -0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 29.59 2k7o h VAL 56 CO -0.06 0.25 0.09 0.24 0.02 0.00 0.00 177.57 178.12 2k7o h MET 57 N 1.26 0.96 -0.33 1.57 2.86 -0.37 0.34 114.93 121.23 2k7o h MET 57 Ca 0.33 -0.26 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 2k7o h MET 57 Cb -0.09 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.44 2k7o h MET 57 CO -0.07 0.92 0.21 1.49 1.06 0.00 0.00 176.91 180.52 2k7o h GLU 58 N 0.86 0.44 -0.60 1.72 4.57 -0.63 2.19 114.58 123.13 2k7o h GLU 58 Ca 0.18 -0.03 -0.10 0.00 -1.18 0.00 0.00 59.36 58.22 2k7o h GLU 58 Cb 0.42 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.89 2k7o h GLU 58 CO 0.01 0.32 -0.00 1.15 -1.18 0.00 0.00 179.01 179.30 2k7o h THR 59 N 0.44 1.27 -0.17 0.32 2.02 -0.99 -2.94 112.91 112.85 2k7o h THR 59 Ca 0.12 -1.16 -0.21 0.00 0.77 0.00 0.00 66.41 65.93 2k7o h THR 59 Cb -0.02 0.80 0.01 0.00 -1.74 0.00 0.00 68.15 67.20 2k7o h THR 59 CO -0.02 0.42 -0.72 0.25 0.37 0.00 0.00 175.52 175.82 2k7o h LEU 60 N 0.97 0.93 -3.91 2.58 7.12 0.26 -3.26 115.31 120.00 2k7o h LEU 60 Ca 0.17 -0.61 -0.16 0.00 0.13 0.00 0.00 57.88 57.41 2k7o h LEU 60 Cb 0.56 -0.27 -0.06 0.00 -0.53 0.00 0.00 40.66 40.36 2k7o h LEU 60 CO 0.03 1.39 -0.30 0.47 -0.13 0.00 0.00 178.44 179.90 2k7o n ASP 61 N -3.97 5.02 -0.26 1.25 8.00 0.74 -4.44 116.55 122.88 2k7o n ASP 61 Ca -0.07 -2.42 -0.00 0.00 0.71 0.00 0.00 54.79 53.00 2k7o n ASP 61 Cb 0.72 -1.32 0.21 0.00 -0.02 0.00 0.00 41.12 40.71 2k7o n ASP 61 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 2k7o h GLU 62 N 2.87 1.08 -0.27 -1.24 4.81 -1.63 -0.30 114.58 119.89 2k7o h GLU 62 Ca 0.16 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 2k7o h GLU 62 Cb 1.39 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 30.51 2k7o h GLU 62 CO 0.21 0.72 0.18 0.38 -0.73 0.00 0.00 179.01 179.77 2k7o h ASP 63 N 1.11 0.31 -0.59 1.04 2.03 -1.92 -3.47 116.42 114.93 2k7o h ASP 63 Ca 0.30 -0.01 0.00 0.00 -0.73 0.00 0.00 57.03 56.59 2k7o h ASP 63 Cb -0.13 -0.08 0.00 0.00 -0.83 0.00 0.00 39.33 38.29 2k7o h ASP 63 CO -0.06 0.23 0.00 0.61 -1.03 0.00 0.00 179.24 178.98 2k7o n GLY 64 N -1.50 0.00 0.00 7.15 0.00 -0.12 -5.07 105.19 105.65 2k7o n GLY 64 Ca 0.01 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.45 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 -4.99 116.55 119.85 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 0.35 2.30 3.22 0.44 0.00 -1.26 -4.91 105.19 105.32 2k7o n GLY 66 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.00 0.99 -0.35 1.61 2.02 -1.26 -4.73 118.70 116.98 2k7o s GLU 67 Ca 0.00 -1.43 -0.07 0.00 0.02 0.00 0.00 54.97 53.49 2k7o s GLU 67 Cb 0.00 -0.37 0.05 0.00 0.10 0.00 0.00 34.13 33.91 2k7o s GLU 67 CO 0.00 -0.02 0.13 0.00 0.02 0.00 0.00 175.26 175.39 2k7o n ASP 69 N 4.82 -0.53 -0.31 0.00 5.75 -1.26 -3.35 116.55 121.66 2k7o n ASP 69 Ca -0.12 -1.27 -0.04 0.00 -0.01 0.00 0.00 54.79 53.35 2k7o n ASP 69 Cb 0.44 -0.81 0.08 0.00 -1.03 0.00 0.00 41.12 39.80 2k7o n ASP 69 CO 0.00 0.00 0.00 0.15 -0.11 0.00 0.00 177.20 177.24 2k7o h PHE 70 N -1.89 1.10 0.75 2.11 3.57 -1.98 0.15 116.94 120.75 2k7o h PHE 70 Ca -0.34 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.13 2k7o h PHE 70 Cb 0.96 -0.37 0.01 0.00 2.79 0.00 0.00 35.95 39.34 2k7o h PHE 70 CO 0.00 0.72 -0.37 0.37 -2.23 0.00 0.00 178.31 176.80 2k7o h GLN 71 N 1.16 -0.98 -0.97 1.11 4.15 -2.01 -2.51 115.11 115.06 2k7o h GLN 71 Ca 0.31 0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.80 2k7o h GLN 71 Cb -0.08 0.22 -0.05 0.00 0.21 0.00 0.00 27.48 27.78 2k7o h GLN 71 CO -0.06 -0.65 0.61 0.93 -1.93 0.00 0.00 178.83 177.72 2k7o h GLU 72 N -1.02 1.30 -0.98 1.69 5.08 -1.89 -1.89 114.58 116.87 2k7o h GLU 72 Ca -0.10 -0.10 0.26 0.00 -1.00 0.00 0.00 59.36 58.42 2k7o h GLU 72 Cb 0.78 -0.28 -0.13 0.00 0.50 0.00 0.00 28.75 29.62 2k7o h GLU 72 CO 0.17 0.89 0.55 0.35 -1.00 0.00 0.00 179.01 179.97 2k7o h PHE 73 N 1.33 0.92 -0.07 4.33 3.04 -0.36 1.74 116.94 127.86 2k7o h PHE 73 Ca 0.35 0.04 -0.12 0.00 3.98 0.00 0.00 57.97 62.22 2k7o h PHE 73 Cb -0.10 -0.25 -0.01 0.00 2.56 0.00 0.00 35.95 38.15 2k7o h PHE 73 CO 0.00 -0.03 -0.48 0.52 -2.02 0.00 0.00 178.31 176.31 2k7o h MET 74 N 0.47 0.18 0.83 1.11 2.86 -0.92 -2.32 114.93 117.14 2k7o h MET 74 Ca 0.66 -0.10 -0.04 0.00 -2.06 0.00 0.00 59.70 58.16 2k7o h MET 74 Cb 1.33 0.00 0.01 0.00 0.06 0.00 0.00 31.60 33.00 2k7o h MET 74 CO -0.53 0.62 -0.40 0.00 1.06 0.00 0.00 176.91 177.67 2k7o h ALA 75 N 1.36 -1.11 -1.00 6.32 0.00 0.28 0.32 119.26 125.43 2k7o h ALA 75 Ca 0.01 -0.24 0.13 0.00 0.00 0.00 0.00 54.91 54.80 2k7o h ALA 75 Cb 0.90 0.43 -0.09 0.00 0.00 0.00 0.00 17.79 19.03 2k7o h ALA 75 CO 0.07 -1.04 0.62 0.35 0.00 0.00 0.00 179.25 179.26 2k7o h PHE 76 N -1.29 1.13 -0.47 0.00 3.04 -1.24 0.90 116.94 119.01 2k7o h PHE 76 Ca -0.11 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.87 2k7o h PHE 76 Cb 0.85 -0.35 -0.02 0.00 2.56 0.00 0.00 35.95 38.99 2k7o h PHE 76 CO -0.00 0.42 0.30 0.28 -2.02 0.00 0.00 178.31 177.29 2k7o h VAL 77 N 0.96 1.13 -0.34 1.41 2.07 -1.19 -1.78 116.25 118.50 2k7o h VAL 77 Ca 0.51 -0.25 -0.07 0.00 0.82 0.00 0.00 66.70 67.71 2k7o h VAL 77 Cb 0.54 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 2k7o h VAL 77 CO -0.28 0.13 -0.05 0.77 0.02 0.00 0.00 177.57 178.15 2k7o h SER 78 N 0.63 0.64 -0.92 0.57 4.64 0.33 -2.75 113.55 116.70 2k7o h SER 78 Ca 0.17 -0.35 0.13 0.00 -0.47 0.00 0.00 61.79 61.27 2k7o h SER 78 Cb -0.06 -0.17 -0.09 0.00 -0.31 0.00 0.00 62.40 61.77 2k7o h SER 78 CO -0.04 0.84 0.54 -0.03 -0.87 0.00 0.00 176.83 177.27 2k7o h MET 79 N 0.43 0.79 -0.02 4.77 -1.53 0.10 2.31 114.93 121.79 2k7o h MET 79 Ca 0.09 -0.05 -0.04 0.00 -3.44 0.00 0.00 59.70 56.27 2k7o h MET 79 Cb 0.54 -0.18 -0.01 0.00 -0.55 0.00 0.00 31.60 31.41 2k7o h MET 79 CO 0.03 0.52 -0.16 0.28 0.14 0.00 0.00 176.91 177.72 2k7o h VAL 80 N 0.81 1.13 0.12 -5.77 2.07 -1.17 0.99 116.25 114.44 2k7o h VAL 80 Ca 0.47 -0.61 -0.16 0.00 0.82 0.00 0.00 66.70 67.22 2k7o h VAL 80 Cb 0.55 1.30 0.02 0.00 -1.52 0.00 0.00 31.29 31.64 2k7o h VAL 80 CO -0.30 0.18 -0.72 0.74 0.02 0.00 0.00 177.57 177.49 2k7o h THR 81 N 0.03 1.55 0.00 2.57 2.02 0.15 -3.24 112.91 115.99 2k7o h THR 81 Ca 0.01 -2.52 0.00 0.00 0.77 0.00 0.00 66.41 64.67 2k7o h THR 81 Cb 0.31 3.23 0.00 0.00 -1.74 0.00 0.00 68.15 69.95 2k7o h THR 81 CO 0.02 0.70 0.00 0.74 0.37 0.00 0.00 175.52 177.36 2k7o h THR 82 N -0.45 0.00 -0.24 3.16 2.02 0.39 -2.85 112.91 114.93 2k7o h THR 82 Ca -0.13 -0.31 -0.17 0.00 0.77 0.00 0.00 66.41 66.57 2k7o h THR 82 Cb 1.56 1.13 0.00 0.00 -1.74 0.00 0.00 68.15 69.10 2k7o h THR 82 CO 0.13 0.00 -0.50 0.00 0.37 0.00 0.00 175.52 175.53 2k7o h ALA 83 N 2.20 0.39 -0.94 6.16 0.00 0.99 -3.31 119.26 124.75 2k7o h ALA 83 Ca 0.00 -0.49 -0.76 0.00 0.00 0.00 0.00 54.91 53.66 2k7o h ALA 83 Cb 0.41 -0.06 -0.16 0.00 0.00 0.00 0.00 17.79 17.98 2k7o h ALA 83 CO 0.00 0.57 1.99 0.00 0.00 0.00 0.00 179.25 181.80 2k7o h HIS 85 N 5.70 1.11 -3.57 0.00 2.76 -1.75 -3.41 115.15 115.99 2k7o h HIS 85 Ca 0.39 0.01 -0.52 0.00 -2.20 0.00 0.00 60.37 58.06 2k7o h HIS 85 Cb 0.62 -0.37 -0.03 0.00 1.55 0.00 0.00 27.41 29.19 2k7o h HIS 85 CO 1.25 0.72 0.29 -1.21 -1.30 0.00 0.00 177.93 177.67 2k7o s GLU 86 N -6.06 4.67 0.50 5.26 2.02 -1.26 -5.02 118.70 118.82 2k7o s GLU 86 Ca -0.13 1.34 -0.21 0.00 0.02 0.00 0.00 54.97 55.98 2k7o s GLU 86 Cb 0.16 -3.34 -0.07 0.00 0.10 0.00 0.00 34.13 30.99 2k7o s GLU 86 CO 0.80 0.35 1.14 -0.59 0.02 0.00 0.00 175.26 176.99 2k7o s PHE 87 N -0.45 2.77 0.13 1.61 -0.71 -1.26 -4.91 117.98 115.17 2k7o s PHE 87 Ca 0.42 1.54 -0.31 0.00 -1.04 0.00 0.00 56.93 57.54 2k7o s PHE 87 Cb -0.23 -3.33 -0.10 0.00 -1.21 0.00 0.00 43.02 38.14 2k7o s PHE 87 CO 0.28 -1.53 1.79 -0.59 -1.34 0.00 0.00 175.22 173.83 2k7o s PHE 88 N -1.67 2.31 -0.90 3.49 -0.71 -1.26 -4.84 117.98 114.41 2k7o s PHE 88 Ca 0.68 0.08 0.08 0.00 -1.04 0.00 0.00 56.93 56.74 2k7o s PHE 88 Cb -0.26 -4.14 0.03 0.00 -1.21 0.00 0.00 43.02 37.44 2k7o s PHE 88 CO 0.30 -4.64 0.67 -1.91 -1.34 0.00 0.00 175.22 168.30 2k7o n GLU 89 N 5.36 1.13 -4.52 1.99 2.13 -1.26 -4.98 120.64 120.49 2k7o n GLU 89 Ca 0.17 -0.78 -0.21 0.00 0.66 0.00 0.00 57.16 57.00 2k7o n GLU 89 Cb 0.38 -1.09 -0.15 0.00 0.27 0.00 0.00 31.44 30.85 2k7o n GLU 89 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 2k7o s HIS 90 N -0.92 1.12 -2.40 4.31 2.46 -1.26 -5.35 115.29 113.25 2k7o s HIS 90 Ca 0.08 -0.23 0.29 0.00 0.47 0.00 0.00 55.06 55.67 2k7o s HIS 90 Cb 0.07 -0.71 1.23 0.00 -0.13 0.00 0.00 32.58 33.04 2k7o s HIS 90 CO 0.15 -0.01 1.85 0.39 -2.47 0.00 0.00 174.74 174.64