#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 0.28 -0.31 4.33 4.39 -2.06 -2.86 114.58 118.35 2k7o h GLU 2 Ca 0.00 -0.09 -0.15 0.00 0.34 0.00 0.00 59.36 59.46 2k7o h GLU 2 Cb 0.00 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.62 2k7o h GLU 2 CO 0.00 0.50 -0.42 1.25 -1.16 0.00 0.00 179.01 179.18 2k7o h LEU 3 N 0.26 0.82 -0.74 1.33 5.85 -2.06 -2.96 115.31 117.81 2k7o h LEU 3 Ca 0.04 -0.39 -0.07 0.00 0.84 0.00 0.00 57.88 58.31 2k7o h LEU 3 Cb 0.55 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.32 2k7o h LEU 3 CO 0.04 1.13 0.20 -0.33 -0.34 0.00 0.00 178.44 179.14 2k7o h GLU 4 N 0.62 1.16 -0.97 1.25 3.07 -1.96 -2.38 114.58 115.37 2k7o h GLU 4 Ca 0.04 -0.27 0.01 0.00 -0.50 0.00 0.00 59.36 58.64 2k7o h GLU 4 Cb 0.98 -0.16 -0.05 0.00 -0.84 0.00 0.00 28.75 28.69 2k7o h GLU 4 CO 0.09 1.00 0.63 -0.22 -1.40 0.00 0.00 179.01 179.12 2k7o h LYS 5 N 1.11 1.29 -0.01 2.33 3.64 -1.44 -1.15 116.57 122.33 2k7o h LYS 5 Ca 0.23 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 2k7o h LYS 5 Cb 0.35 -0.29 -0.00 0.00 -0.41 0.00 0.00 32.23 31.88 2k7o h LYS 5 CO -0.00 0.86 0.01 0.00 -2.27 0.00 0.00 179.45 178.05 2k7o h ALA 6 N 1.37 0.01 -0.20 5.00 0.00 -1.27 0.11 119.26 124.28 2k7o h ALA 6 Ca 0.35 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.26 2k7o h ALA 6 Cb -0.13 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2k7o h ALA 6 CO -0.07 -0.49 0.13 1.98 0.00 0.00 0.00 179.25 180.80 2k7o h MET 7 N 0.01 0.26 -0.81 0.00 1.85 -1.14 -2.24 114.93 112.86 2k7o h MET 7 Ca 0.00 -0.02 0.03 0.00 -0.61 0.00 0.00 59.70 59.11 2k7o h MET 7 Cb 0.00 -0.06 -0.04 0.00 0.43 0.00 0.00 31.60 31.93 2k7o h MET 7 CO -0.00 0.18 0.53 0.28 -0.40 0.00 0.00 176.91 177.50 2k7o h VAL 8 N 0.26 1.15 -0.83 -5.77 2.07 -0.94 -1.73 116.25 110.47 2k7o h VAL 8 Ca 0.07 -0.35 0.07 0.00 0.82 0.00 0.00 66.70 67.31 2k7o h VAL 8 Cb -0.02 0.04 -0.06 0.00 -1.52 0.00 0.00 31.29 29.72 2k7o h VAL 8 CO -0.02 0.19 0.50 0.00 0.02 0.00 0.00 177.57 178.26 2k7o h ALA 9 N 1.52 1.14 -0.20 1.67 0.00 -0.16 -2.11 119.26 121.12 2k7o h ALA 9 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.23 2k7o h ALA 9 Cb 0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2k7o h ALA 9 CO -0.09 0.21 0.13 -0.07 0.00 0.00 0.00 179.25 179.43 2k7o h LEU 10 N 0.89 0.23 0.12 0.00 -0.00 -1.13 -0.39 115.31 115.04 2k7o h LEU 10 Ca 0.37 -0.01 -0.01 0.00 -0.00 0.00 0.00 57.88 58.24 2k7o h LEU 10 Cb 0.22 -0.06 0.00 0.00 -0.00 0.00 0.00 40.66 40.82 2k7o h LEU 10 CO -0.19 0.17 -0.06 0.40 -0.00 0.00 0.00 178.44 178.76 2k7o h ILE 11 N 0.27 0.88 -0.95 1.22 2.04 -1.33 0.55 117.51 120.19 2k7o h ILE 11 Ca 0.07 -0.01 0.01 0.00 1.00 0.00 0.00 64.86 65.94 2k7o h ILE 11 Cb -0.03 0.89 -0.05 0.00 -0.74 0.00 0.00 36.82 36.89 2k7o h ILE 11 CO -0.02 0.00 0.63 -0.78 0.00 0.00 0.00 178.15 177.99 2k7o h ASP 12 N -0.17 1.10 -0.32 1.72 1.82 -1.30 -1.71 116.42 117.56 2k7o h ASP 12 Ca -0.02 -0.03 -0.14 0.00 -0.39 0.00 0.00 57.03 56.45 2k7o h ASP 12 Cb 0.13 -0.27 -0.00 0.00 0.68 0.00 0.00 39.33 39.86 2k7o h ASP 12 CO 0.03 0.80 -0.35 0.58 -1.61 0.00 0.00 179.24 178.68 2k7o h VAL 13 N 1.30 1.29 0.59 2.25 2.07 -0.68 -2.88 116.25 120.18 2k7o h VAL 13 Ca 0.35 -1.52 -0.03 0.00 0.82 0.00 0.00 66.70 66.32 2k7o h VAL 13 Cb -0.15 1.53 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 2k7o h VAL 13 CO -0.08 0.50 -0.29 0.15 0.02 0.00 0.00 177.57 177.87 2k7o h PHE 14 N 0.58 -0.75 -1.00 1.57 3.04 0.65 -2.38 116.94 118.64 2k7o h PHE 14 Ca 0.05 -0.02 0.01 0.00 3.98 0.00 0.00 57.97 61.99 2k7o h PHE 14 Cb 0.94 0.25 -0.05 0.00 2.56 0.00 0.00 35.95 39.65 2k7o h PHE 14 CO 0.07 -0.47 0.66 0.45 -2.02 0.00 0.00 178.31 177.01 2k7o h HIS 15 N -0.80 1.25 -0.63 0.41 3.86 -1.41 -0.10 115.15 117.74 2k7o h HIS 15 Ca -0.08 0.03 -0.09 0.00 -1.16 0.00 0.00 60.37 59.07 2k7o h HIS 15 Cb 0.62 -0.42 -0.02 0.00 1.06 0.00 0.00 27.41 28.64 2k7o h HIS 15 CO -0.04 0.79 0.05 0.37 0.86 0.00 0.00 177.93 179.96 2k7o h GLN 16 N 1.35 1.07 -0.22 2.45 4.15 -1.43 0.29 115.11 122.77 2k7o h GLN 16 Ca 0.37 -0.31 -0.14 0.00 0.77 0.00 0.00 58.65 59.33 2k7o h GLN 16 Cb -0.15 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 27.43 2k7o h GLN 16 CO -0.08 1.02 -0.42 1.88 -1.93 0.00 0.00 178.83 179.29 2k7o h TYR 17 N 0.98 0.85 0.00 3.99 -1.99 -1.06 -2.86 116.97 116.89 2k7o h TYR 17 Ca 0.18 -0.31 0.00 0.00 2.00 0.00 0.00 58.73 60.61 2k7o h TYR 17 Cb 0.50 -0.16 0.00 0.00 2.00 0.00 0.00 36.73 39.07 2k7o h TYR 17 CO 0.04 1.08 0.00 0.43 -0.00 0.00 0.00 178.16 179.71 2k7o n SER 18 N -4.20 0.49 -0.86 3.88 7.64 -0.08 -2.63 113.62 117.85 2k7o n SER 18 Ca -0.05 0.60 0.05 0.00 1.01 0.00 0.00 58.87 60.47 2k7o n SER 18 Cb 0.55 -0.71 0.17 0.00 -1.01 0.00 0.00 64.21 63.22 2k7o n SER 18 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2k7o n GLY 19 N 0.41 1.29 0.28 0.23 0.00 0.08 -3.85 105.19 103.62 2k7o n GLY 19 Ca 0.04 -0.41 -0.12 0.00 0.00 0.00 0.00 46.02 45.52 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 2.03 0.96 -0.11 1.61 2.47 -1.58 -2.92 114.38 116.84 2k7o h ARG 20 Ca 0.00 -0.45 0.00 0.00 -1.26 0.00 0.00 59.98 58.27 2k7o h ARG 20 Cb 0.77 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 29.08 2k7o h ARG 20 CO 0.09 1.12 0.00 0.39 0.56 0.00 0.00 179.97 182.13 2k7o n GLU 21 N -4.08 2.15 -0.00 0.04 1.02 -1.26 -4.91 120.64 113.59 2k7o n GLU 21 Ca -0.01 -1.70 0.00 0.00 -0.02 0.00 0.00 57.16 55.43 2k7o n GLU 21 Cb 0.50 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.45 2k7o n GLU 21 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2k7o n GLY 22 N 1.32 1.54 3.41 0.62 0.00 -1.10 -5.00 105.19 105.97 2k7o n GLY 22 Ca 0.16 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.74 2k7o n GLY 22 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2k7o s ASP 23 N -3.03 6.15 0.12 1.61 -4.77 -1.25 -4.95 116.67 110.55 2k7o s ASP 23 Ca 0.00 -1.22 -0.10 0.00 -3.30 0.00 0.00 52.55 47.93 2k7o s ASP 23 Cb 0.00 -2.19 -0.06 0.00 -1.09 0.00 0.00 42.92 39.58 2k7o s ASP 23 CO 0.00 -0.63 0.45 -0.54 0.70 0.00 0.00 175.17 175.15 2k7o s LYS 24 N 1.71 3.79 -0.46 2.11 1.02 -1.25 -4.19 119.74 122.47 2k7o s LYS 24 Ca 0.05 0.22 -0.00 0.00 0.02 0.00 0.00 55.97 56.26 2k7o s LYS 24 Cb -0.23 -2.91 0.00 0.00 -0.52 0.00 0.00 37.83 34.17 2k7o s LYS 24 CO 0.08 0.50 0.04 1.58 -0.92 0.00 0.00 175.35 176.63 2k7o n HIS 25 N 0.63 -0.33 -3.17 3.18 -0.00 -1.26 -5.00 115.22 109.26 2k7o n HIS 25 Ca -0.05 0.04 0.02 0.00 0.46 0.00 0.00 57.72 58.19 2k7o n HIS 25 Cb 0.52 -1.82 -0.01 0.00 -0.12 0.00 0.00 29.99 28.56 2k7o n HIS 25 CO 0.00 0.00 0.00 0.21 0.46 0.00 0.00 176.34 177.01 2k7o s LYS 26 N -4.42 0.54 -0.27 1.57 2.20 -1.26 -4.75 119.74 113.34 2k7o s LYS 26 Ca 0.02 0.54 -0.11 0.00 -0.36 0.00 0.00 55.97 56.07 2k7o s LYS 26 Cb -0.01 0.20 -0.05 0.00 -1.51 0.00 0.00 37.83 36.47 2k7o s LYS 26 CO 0.03 -1.00 0.18 -0.51 -0.36 0.00 0.00 175.35 173.68 2k7o s LEU 27 N 2.80 4.02 0.47 5.43 1.02 -1.21 -4.95 118.68 126.25 2k7o s LEU 27 Ca 0.11 0.01 -0.00 0.00 0.02 0.00 0.00 54.13 54.26 2k7o s LEU 27 Cb -0.11 -2.11 -0.00 0.00 0.02 0.00 0.00 46.19 43.99 2k7o s LEU 27 CO -0.26 -0.02 0.70 -0.54 0.02 0.00 0.00 176.35 176.25 2k7o s LYS 28 N 1.60 3.05 0.30 1.70 1.02 -1.26 -2.20 119.74 123.94 2k7o s LYS 28 Ca 0.07 -0.43 0.01 0.00 0.02 0.00 0.00 55.97 55.65 2k7o s LYS 28 Cb -0.15 -2.52 0.55 0.00 -0.52 0.00 0.00 37.83 35.18 2k7o s LYS 28 CO 0.09 -0.33 1.91 1.57 -0.92 0.00 0.00 175.35 177.67 2k7o h LYS 29 N 0.32 0.98 -0.41 1.68 2.10 -1.98 0.36 116.57 119.61 2k7o h LYS 29 Ca -0.46 -0.06 -0.01 0.00 -2.00 0.00 0.00 60.65 58.13 2k7o h LYS 29 Cb 1.25 -0.22 -0.02 0.00 -0.90 0.00 0.00 32.23 32.34 2k7o h LYS 29 CO 0.58 0.65 0.24 0.66 -2.00 0.00 0.00 179.45 179.57 2k7o h SER 30 N 1.01 0.49 0.59 7.07 4.64 -2.01 -0.51 113.55 124.84 2k7o h SER 30 Ca 0.40 -0.03 -0.14 0.00 -0.47 0.00 0.00 61.79 61.55 2k7o h SER 30 Cb 0.24 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 62.18 2k7o h SER 30 CO -0.15 0.39 -0.63 -0.33 -0.87 0.00 0.00 176.83 175.24 2k7o h GLU 31 N 0.57 0.04 -0.50 4.77 5.08 -1.33 -3.03 114.58 120.17 2k7o h GLU 31 Ca 0.15 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.40 2k7o h GLU 31 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 2k7o h GLU 31 CO -0.03 0.65 -0.00 -0.07 -1.00 0.00 0.00 179.01 178.57 2k7o h LEU 32 N 0.03 0.88 -0.39 1.33 -0.00 -0.20 -0.86 115.31 116.10 2k7o h LEU 32 Ca -0.01 -0.31 -0.03 0.00 -0.00 0.00 0.00 57.88 57.54 2k7o h LEU 32 Cb 1.12 -0.24 -0.02 0.00 -0.00 0.00 0.00 40.66 41.53 2k7o h LEU 32 CO 0.08 0.97 0.13 0.50 -0.00 0.00 0.00 178.44 180.12 2k7o h LYS 33 N 0.76 0.60 -0.37 1.13 3.11 -1.33 -1.06 116.57 119.41 2k7o h LYS 33 Ca 0.14 -0.13 -0.11 0.00 -2.81 0.00 0.00 60.65 57.75 2k7o h LYS 33 Cb 0.52 -0.09 -0.01 0.00 -1.00 0.00 0.00 32.23 31.65 2k7o h LYS 33 CO 0.03 0.60 -0.19 0.93 -2.81 0.00 0.00 179.45 178.01 2k7o h GLU 34 N 0.48 0.78 -0.09 1.90 5.08 -1.46 -2.52 114.58 118.75 2k7o h GLU 34 Ca 0.13 -0.34 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 2k7o h GLU 34 Cb 0.25 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.47 2k7o h GLU 34 CO -0.00 0.96 0.06 1.25 -1.00 0.00 0.00 179.01 180.28 2k7o h LEU 35 N 0.57 0.11 -0.23 1.33 5.85 -1.03 -1.72 115.31 120.19 2k7o h LEU 35 Ca 0.08 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.79 2k7o h LEU 35 Cb 0.74 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.73 2k7o h LEU 35 CO 0.06 0.09 0.15 0.40 -0.34 0.00 0.00 178.44 178.79 2k7o h ILE 36 N 0.12 1.06 -0.87 4.05 2.04 -1.18 -0.08 117.51 122.66 2k7o h ILE 36 Ca 0.03 -0.13 0.01 0.00 1.00 0.00 0.00 64.86 65.77 2k7o h ILE 36 Cb -0.01 0.75 -0.04 0.00 -0.74 0.00 0.00 36.82 36.78 2k7o h ILE 36 CO -0.01 0.06 0.57 -1.13 0.00 0.00 0.00 178.15 177.65 2k7o h ASN 37 N 0.30 1.00 -0.17 1.72 -1.24 -1.29 0.32 115.58 116.22 2k7o h ASN 37 Ca 0.08 -0.03 -0.18 0.00 0.71 0.00 0.00 56.30 56.89 2k7o h ASN 37 Cb -0.02 -0.25 0.01 0.00 0.73 0.00 0.00 38.32 38.78 2k7o h ASN 37 CO -0.02 0.72 -0.58 0.78 -1.29 0.00 0.00 177.43 177.05 2k7o h ASN 38 N 1.18 0.81 0.00 1.15 -0.26 -1.06 -3.41 115.58 113.98 2k7o h ASN 38 Ca 0.32 -0.60 0.00 0.00 -0.56 0.00 0.00 56.30 55.46 2k7o h ASN 38 Cb -0.13 -0.24 0.00 0.00 -1.06 0.00 0.00 38.32 36.89 2k7o h ASN 38 CO -0.07 1.27 0.00 -0.62 -1.06 0.00 0.00 177.43 176.95 2k7o n GLU 39 N -4.10 0.00 -2.76 0.81 1.02 -0.06 -4.85 120.64 110.70 2k7o n GLU 39 Ca -0.07 0.16 -0.42 0.00 -0.02 0.00 0.00 57.16 56.80 2k7o n GLU 39 Cb 0.64 -0.56 -0.03 0.00 -0.02 0.00 0.00 31.44 31.47 2k7o n GLU 39 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2k7o s LEU 40 N -3.04 4.11 0.21 -4.62 1.02 0.09 -4.83 118.68 111.61 2k7o s LEU 40 Ca 0.00 1.26 0.00 0.00 0.02 0.00 0.00 54.13 55.41 2k7o s LEU 40 Cb 0.00 -3.40 0.00 0.00 0.02 0.00 0.00 46.19 42.81 2k7o s LEU 40 CO 0.00 -0.58 0.00 -1.54 0.02 0.00 0.00 176.35 174.25 2k7o n SER 41 N 6.02 0.38 0.02 2.29 3.41 -1.26 -4.14 113.62 120.33 2k7o n SER 41 Ca 0.09 0.35 0.14 0.00 -0.26 0.00 0.00 58.87 59.18 2k7o n SER 41 Cb 0.47 0.09 0.52 0.00 -0.26 0.00 0.00 64.21 65.03 2k7o n SER 41 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2k7o n HIS 42 N -3.50 0.13 1.06 7.33 8.25 -1.26 -3.18 115.22 124.05 2k7o n HIS 42 Ca 0.00 0.04 0.12 0.00 -0.26 0.00 0.00 57.72 57.62 2k7o n HIS 42 Cb 0.00 -0.52 0.14 0.00 1.12 0.00 0.00 29.99 30.73 2k7o n HIS 42 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 2k7o n PHE 43 N -1.62 0.00 -3.82 4.41 3.72 -1.26 -4.92 117.46 113.97 2k7o n PHE 43 Ca 0.06 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.34 2k7o n PHE 43 Cb 0.35 -0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 38.78 2k7o n PHE 43 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 2k7o s LEU 44 N -2.06 1.28 0.36 4.37 2.96 -1.19 -5.10 118.68 119.31 2k7o s LEU 44 Ca 0.28 0.14 -0.27 0.00 -0.22 0.00 0.00 54.13 54.07 2k7o s LEU 44 Cb 0.20 0.78 -0.09 0.00 0.50 0.00 0.00 46.19 47.57 2k7o s LEU 44 CO 0.33 -0.23 1.20 -1.61 -1.32 0.00 0.00 176.35 174.72 2k7o s GLU 45 N -0.64 4.23 0.35 1.98 8.01 -1.26 -4.66 118.70 126.71 2k7o s GLU 45 Ca -0.07 1.95 -0.29 0.00 0.01 0.00 0.00 54.97 56.57 2k7o s GLU 45 Cb -0.04 -2.87 -0.11 0.00 -4.31 0.00 0.00 34.13 26.80 2k7o s GLU 45 CO 0.01 -0.20 1.37 -1.21 0.01 0.00 0.00 175.26 175.24 2k7o s GLU 46 N -2.02 4.27 -0.28 1.61 8.01 -1.26 -4.98 118.70 124.06 2k7o s GLU 46 Ca 0.53 2.34 -0.11 0.00 0.01 0.00 0.00 54.97 57.74 2k7o s GLU 46 Cb -0.34 -3.04 -0.05 0.00 -4.31 0.00 0.00 34.13 26.40 2k7o s GLU 46 CO 0.43 -0.31 0.19 0.42 0.01 0.00 0.00 175.26 176.00 2k7o s ILE 47 N -1.10 5.31 -0.11 -1.63 1.01 -1.26 -4.94 121.20 118.47 2k7o s ILE 47 Ca 0.50 0.17 0.20 0.00 0.00 0.00 0.00 60.65 61.53 2k7o s ILE 47 Cb -0.42 -3.53 -0.23 0.00 0.01 0.00 0.00 42.46 38.29 2k7o s ILE 47 CO 0.56 0.26 0.56 1.17 0.00 0.00 0.00 174.94 177.50 2k7o n LYS 48 N 4.98 0.65 -4.86 2.79 4.81 -1.26 -4.89 118.16 120.37 2k7o n LYS 48 Ca -0.14 -0.03 -0.33 0.00 -0.87 0.00 0.00 58.31 56.94 2k7o n LYS 48 Cb 0.52 -1.63 -0.15 0.00 0.02 0.00 0.00 35.03 33.80 2k7o n LYS 48 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 2k7o s GLU 49 N -3.20 3.32 0.27 1.64 2.12 -1.26 -5.01 118.70 116.59 2k7o s GLU 49 Ca -0.06 -0.72 -0.04 0.00 0.36 0.00 0.00 54.97 54.51 2k7o s GLU 49 Cb 0.11 -2.57 0.34 0.00 0.26 0.00 0.00 34.13 32.27 2k7o s GLU 49 CO 0.86 0.21 1.92 0.37 -0.54 0.00 0.00 175.26 178.08 2k7o h GLN 50 N 6.70 1.16 -1.28 4.30 4.15 -2.02 -2.37 115.11 125.74 2k7o h GLN 50 Ca -0.24 -0.10 0.37 0.00 0.77 0.00 0.00 58.65 59.45 2k7o h GLN 50 Cb 1.22 -0.25 -0.08 0.00 0.21 0.00 0.00 27.48 28.59 2k7o h GLN 50 CO 0.54 0.81 0.89 0.93 -1.93 0.00 0.00 178.83 180.06 2k7o h GLU 51 N 1.18 0.10 -0.08 1.69 4.39 -2.00 1.89 114.58 121.75 2k7o h GLU 51 Ca 0.31 -0.01 -0.08 0.00 0.34 0.00 0.00 59.36 59.92 2k7o h GLU 51 Cb -0.06 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.56 2k7o h GLU 51 CO -0.06 0.07 -0.30 0.28 -1.16 0.00 0.00 179.01 177.84 2k7o h VAL 52 N 0.11 1.25 -0.35 3.13 2.07 -1.86 -2.39 116.25 118.21 2k7o h VAL 52 Ca 0.67 -1.19 -0.14 0.00 0.82 0.00 0.00 66.70 66.86 2k7o h VAL 52 Cb 2.35 1.53 -0.01 0.00 -1.52 0.00 0.00 31.29 33.64 2k7o h VAL 52 CO -0.14 0.35 -0.33 0.58 0.02 0.00 0.00 177.57 178.05 2k7o h VAL 53 N 0.14 1.28 -0.87 2.57 2.07 0.28 -2.25 116.25 119.47 2k7o h VAL 53 Ca 0.02 -1.49 -0.03 0.00 0.82 0.00 0.00 66.70 66.02 2k7o h VAL 53 Cb 0.61 1.44 -0.04 0.00 -1.52 0.00 0.00 31.29 31.78 2k7o h VAL 53 CO 0.04 0.49 0.44 0.44 0.02 0.00 0.00 177.57 179.01 2k7o h ASP 54 N 0.64 1.13 -0.60 0.57 3.32 -1.07 -0.50 116.42 119.91 2k7o h ASP 54 Ca 0.06 -0.13 -0.09 0.00 0.02 0.00 0.00 57.03 56.90 2k7o h ASP 54 Cb 0.91 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 40.15 2k7o h ASP 54 CO 0.08 0.93 0.03 0.11 -1.72 0.00 0.00 179.24 178.68 2k7o h LYS 55 N 1.24 1.03 -0.80 3.56 1.57 -1.34 -1.27 116.57 120.56 2k7o h LYS 55 Ca 0.30 -0.31 -0.04 0.00 -1.87 0.00 0.00 60.65 58.73 2k7o h LYS 55 Cb 0.09 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.26 2k7o h LYS 55 CO -0.04 1.00 0.33 0.28 -0.57 0.00 0.00 179.45 180.45 2k7o h VAL 56 N 0.93 1.26 -0.35 0.50 2.07 -0.85 -1.54 116.25 118.28 2k7o h VAL 56 Ca 0.17 -0.80 -0.05 0.00 0.82 0.00 0.00 66.70 66.84 2k7o h VAL 56 Cb 0.51 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 2k7o h VAL 56 CO 0.02 0.33 0.00 -0.03 0.02 0.00 0.00 177.57 177.92 2k7o h MET 57 N 1.16 0.61 0.03 1.57 1.85 -0.76 0.66 114.93 120.05 2k7o h MET 57 Ca 0.27 -0.19 -0.00 0.00 -0.61 0.00 0.00 59.70 59.16 2k7o h MET 57 Cb 0.20 -0.06 0.00 0.00 0.43 0.00 0.00 31.60 32.17 2k7o h MET 57 CO -0.02 0.73 -0.02 1.49 -0.40 0.00 0.00 176.91 178.69 2k7o h GLU 58 N 0.42 -0.04 -0.37 0.39 4.57 -0.96 1.40 114.58 119.98 2k7o h GLU 58 Ca 0.10 0.00 -0.17 0.00 -1.18 0.00 0.00 59.36 58.12 2k7o h GLU 58 Cb 0.45 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.05 2k7o h GLU 58 CO 0.02 -0.02 -0.42 1.15 -1.18 0.00 0.00 179.01 178.56 2k7o h THR 59 N -0.06 1.27 -0.36 0.32 2.02 -1.25 -3.15 112.91 111.70 2k7o h THR 59 Ca -0.00 -1.59 -0.16 0.00 0.77 0.00 0.00 66.41 65.42 2k7o h THR 59 Cb 0.05 1.42 -0.01 0.00 -1.74 0.00 0.00 68.15 67.88 2k7o h THR 59 CO 0.01 0.53 -0.42 0.25 0.37 0.00 0.00 175.52 176.26 2k7o h LEU 60 N 0.75 0.98 -8.92 2.58 5.85 0.58 -3.41 115.31 113.72 2k7o h LEU 60 Ca 0.05 -0.47 -0.58 0.00 0.84 0.00 0.00 57.88 57.73 2k7o h LEU 60 Cb 1.02 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.75 2k7o h LEU 60 CO 0.10 1.26 1.31 -0.62 -0.34 0.00 0.00 178.44 180.16 2k7o s ASP 61 N -6.86 5.84 0.09 1.25 -1.08 0.48 -4.87 116.67 111.52 2k7o s ASP 61 Ca -0.11 1.49 -0.22 0.00 -0.52 0.00 0.00 52.55 53.19 2k7o s ASP 61 Cb 0.11 -2.52 -0.14 0.00 -1.46 0.00 0.00 42.92 38.91 2k7o s ASP 61 CO 0.88 -1.72 1.74 -0.08 0.52 0.00 0.00 175.17 176.52 2k7o h GLU 62 N 13.15 0.04 -0.02 4.34 4.22 -1.84 -2.96 114.58 131.51 2k7o h GLU 62 Ca -0.36 -0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.08 2k7o h GLU 62 Cb 1.18 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2k7o h GLU 62 CO 1.01 0.03 -0.09 -0.40 -2.18 0.00 0.00 179.01 177.38 2k7o n ASP 63 N -5.07 1.96 -2.00 1.04 5.75 -1.26 -4.94 116.55 112.03 2k7o n ASP 63 Ca -0.06 -1.57 -0.18 0.00 -0.01 0.00 0.00 54.79 52.96 2k7o n ASP 63 Cb 0.03 0.07 -0.02 0.00 -1.03 0.00 0.00 41.12 40.17 2k7o n ASP 63 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2k7o n GLY 64 N 1.28 -0.11 0.00 6.12 0.00 -1.12 -4.82 105.19 106.53 2k7o n GLY 64 Ca 0.15 -0.12 0.10 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.42 0.00 -0.71 1.61 5.75 -1.26 -4.82 116.55 115.70 2k7o n ASP 65 Ca -0.21 -0.53 -0.07 0.00 -0.01 0.00 0.00 54.79 53.97 2k7o n ASP 65 Cb 0.66 -0.04 -0.01 0.00 -1.03 0.00 0.00 41.12 40.70 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 0.27 0.23 3.42 6.12 0.00 -1.26 -5.00 105.19 108.95 2k7o n GLY 66 Ca 0.14 -0.63 -0.12 0.00 0.00 0.00 0.00 46.02 45.41 2k7o n GLY 66 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k7o s GLU 67 N -4.04 1.25 -0.37 1.61 2.56 -1.26 -4.81 118.70 113.64 2k7o s GLU 67 Ca 0.00 -0.46 -0.02 0.00 0.00 0.00 0.00 54.97 54.49 2k7o s GLU 67 Cb 0.00 0.57 0.09 0.00 2.00 0.00 0.00 34.13 36.79 2k7o s GLU 67 CO 0.00 -0.54 0.13 0.00 -0.56 0.00 0.00 175.26 174.29 2k7o s ASP 69 N 1.56 1.66 0.14 0.00 -1.08 -1.26 -3.31 116.67 114.38 2k7o s ASP 69 Ca 0.04 0.75 -0.15 0.00 -0.52 0.00 0.00 52.55 52.67 2k7o s ASP 69 Cb -0.21 -1.09 0.00 0.00 -1.46 0.00 0.00 42.92 40.16 2k7o s ASP 69 CO -0.03 -3.68 1.66 0.15 0.52 0.00 0.00 175.17 173.79 2k7o h PHE 70 N -2.27 0.70 0.45 -5.34 3.04 -1.99 -0.09 116.94 111.44 2k7o h PHE 70 Ca -0.48 -0.07 -0.02 0.00 3.98 0.00 0.00 57.97 61.38 2k7o h PHE 70 Cb 1.30 -0.20 0.00 0.00 2.56 0.00 0.00 35.95 39.61 2k7o h PHE 70 CO -1.31 0.63 -0.24 1.96 -2.02 0.00 0.00 178.31 177.33 2k7o h GLN 71 N 0.56 -0.62 -0.78 1.11 4.20 -2.01 -2.42 115.11 115.16 2k7o h GLN 71 Ca 0.14 0.04 0.01 0.00 0.06 0.00 0.00 58.65 58.90 2k7o h GLN 71 Cb 0.27 0.14 -0.04 0.00 0.30 0.00 0.00 27.48 28.15 2k7o h GLN 71 CO -0.00 -0.41 0.51 0.93 -0.67 0.00 0.00 178.83 179.18 2k7o h GLU 72 N -0.64 1.03 -1.01 1.46 5.08 -1.91 -1.65 114.58 116.93 2k7o h GLU 72 Ca -0.06 -0.07 0.29 0.00 -1.00 0.00 0.00 59.36 58.53 2k7o h GLU 72 Cb 0.51 -0.23 -0.14 0.00 0.50 0.00 0.00 28.75 29.39 2k7o h GLU 72 CO 0.08 0.69 0.58 0.35 -1.00 0.00 0.00 179.01 179.71 2k7o h PHE 73 N 1.05 0.96 0.00 4.33 3.04 -0.63 2.04 116.94 127.74 2k7o h PHE 73 Ca 0.28 0.04 -0.08 0.00 3.98 0.00 0.00 57.97 62.19 2k7o h PHE 73 Cb -0.11 -0.26 -0.01 0.00 2.56 0.00 0.00 35.95 38.13 2k7o h PHE 73 CO -0.02 -0.07 -0.40 0.52 -2.02 0.00 0.00 178.31 176.32 2k7o h MET 74 N 0.44 0.00 0.51 1.11 0.00 -0.83 -2.38 114.93 113.78 2k7o h MET 74 Ca 0.70 0.00 -0.03 0.00 0.00 0.00 0.00 59.70 60.37 2k7o h MET 74 Cb 1.49 0.00 0.01 0.00 0.00 0.00 0.00 31.60 33.09 2k7o h MET 74 CO -0.54 0.40 -0.25 0.00 0.00 0.00 0.00 176.91 176.52 2k7o h ALA 75 N 1.60 -0.69 -1.00 6.32 0.00 0.34 0.85 119.26 126.67 2k7o h ALA 75 Ca -0.00 -0.17 0.17 0.00 0.00 0.00 0.00 54.91 54.90 2k7o h ALA 75 Cb 0.76 0.27 -0.10 0.00 0.00 0.00 0.00 17.79 18.72 2k7o h ALA 75 CO 0.05 -0.84 0.62 0.35 0.00 0.00 0.00 179.25 179.43 2k7o h PHE 76 N -0.79 1.09 -0.59 0.00 3.57 -1.22 1.56 116.94 120.57 2k7o h PHE 76 Ca -0.07 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.46 2k7o h PHE 76 Cb 0.57 -0.33 -0.03 0.00 2.79 0.00 0.00 35.95 38.95 2k7o h PHE 76 CO -0.02 0.30 0.36 0.28 -2.23 0.00 0.00 178.31 176.99 2k7o h VAL 77 N 0.83 1.18 -0.06 1.41 2.07 -0.89 -1.67 116.25 119.11 2k7o h VAL 77 Ca 0.56 -0.39 -0.04 0.00 0.82 0.00 0.00 66.70 67.64 2k7o h VAL 77 Cb 0.78 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 2k7o h VAL 77 CO -0.35 0.18 -0.13 0.28 0.02 0.00 0.00 177.57 177.57 2k7o h SER 78 N 0.80 0.23 -0.98 0.57 0.02 0.26 -3.03 113.55 111.42 2k7o h SER 78 Ca 0.21 -0.57 0.18 0.00 -0.84 0.00 0.00 61.79 60.78 2k7o h SER 78 Cb -0.02 -0.07 -0.11 0.00 0.14 0.00 0.00 62.40 62.35 2k7o h SER 78 CO -0.04 0.75 0.58 -0.03 -1.14 0.00 0.00 176.83 176.95 2k7o h MET 79 N -0.29 0.72 0.00 3.45 -1.53 0.21 1.71 114.93 119.20 2k7o h MET 79 Ca 0.00 -0.04 -0.03 0.00 -3.44 0.00 0.00 59.70 56.18 2k7o h MET 79 Cb 0.71 -0.16 -0.00 0.00 -0.55 0.00 0.00 31.60 31.60 2k7o h MET 79 CO 0.03 0.47 -0.17 0.28 0.14 0.00 0.00 176.91 177.67 2k7o h VAL 80 N 0.74 0.73 0.00 -5.77 2.07 -1.30 0.60 116.25 113.32 2k7o h VAL 80 Ca 0.56 -0.67 -0.03 0.00 0.82 0.00 0.00 66.70 67.38 2k7o h VAL 80 Cb 0.86 1.41 -0.00 0.00 -1.52 0.00 0.00 31.29 32.04 2k7o h VAL 80 CO -0.38 0.16 -0.15 0.74 0.02 0.00 0.00 177.57 177.96 2k7o h THR 81 N 0.00 1.70 0.00 2.57 2.02 0.23 -3.31 112.91 116.12 2k7o h THR 81 Ca -0.00 -2.33 0.00 0.00 0.77 0.00 0.00 66.41 64.84 2k7o h THR 81 Cb 0.40 3.27 0.00 0.00 -1.74 0.00 0.00 68.15 70.08 2k7o h THR 81 CO 0.02 0.58 0.00 0.71 0.37 0.00 0.00 175.52 177.20 2k7o h THR 82 N -0.99 0.00 -0.88 3.16 1.35 0.62 -2.90 112.91 113.27 2k7o h THR 82 Ca -0.04 -0.36 -0.03 0.00 -0.55 0.00 0.00 66.41 65.44 2k7o h THR 82 Cb 1.04 1.21 -0.04 0.00 -1.73 0.00 0.00 68.15 68.63 2k7o h THR 82 CO -0.02 0.00 0.45 0.00 -0.25 0.00 0.00 175.52 175.70 2k7o h ALA 83 N 2.18 1.13 -1.41 6.62 0.00 0.12 -3.23 119.26 124.66 2k7o h ALA 83 Ca 0.00 -0.15 -0.74 0.00 0.00 0.00 0.00 54.91 54.02 2k7o h ALA 83 Cb 0.45 -0.35 -0.16 0.00 0.00 0.00 0.00 17.79 17.73 2k7o h ALA 83 CO 0.00 0.67 1.61 0.00 0.00 0.00 0.00 179.25 181.53 2k7o h HIS 85 N 6.80 1.27 -3.90 0.00 3.86 -1.80 -3.41 115.15 117.96 2k7o h HIS 85 Ca 0.35 0.02 -0.49 0.00 -1.16 0.00 0.00 60.37 59.09 2k7o h HIS 85 Cb 0.81 -0.42 0.02 0.00 1.06 0.00 0.00 27.41 28.88 2k7o h HIS 85 CO 1.16 0.81 0.44 -1.21 0.86 0.00 0.00 177.93 180.00 2k7o s GLU 86 N -6.07 4.34 0.05 2.45 2.02 -1.26 -4.98 118.70 115.24 2k7o s GLU 86 Ca -0.13 1.65 -0.30 0.00 0.02 0.00 0.00 54.97 56.21 2k7o s GLU 86 Cb 0.18 -2.81 -0.05 0.00 0.10 0.00 0.00 34.13 31.55 2k7o s GLU 86 CO 0.82 -0.02 1.18 -0.59 0.02 0.00 0.00 175.26 176.68 2k7o s PHE 87 N -1.44 3.43 0.28 1.61 -0.71 -1.26 -4.96 117.98 114.93 2k7o s PHE 87 Ca 0.52 1.32 -0.30 0.00 -1.04 0.00 0.00 56.93 57.43 2k7o s PHE 87 Cb -0.27 -3.40 -0.11 0.00 -1.21 0.00 0.00 43.02 38.03 2k7o s PHE 87 CO 0.34 -1.20 1.61 0.12 -1.34 0.00 0.00 175.22 174.75 2k7o s PHE 88 N 1.16 2.78 0.06 3.49 5.36 -1.26 -4.95 117.98 124.62 2k7o s PHE 88 Ca 0.58 0.72 -0.27 0.00 -0.96 0.00 0.00 56.93 56.99 2k7o s PHE 88 Cb -0.28 -4.07 -0.05 0.00 -0.34 0.00 0.00 43.02 38.27 2k7o s PHE 88 CO 0.29 -3.68 0.86 -2.00 -1.46 0.00 0.00 175.22 169.23 2k7o s GLU 89 N -0.23 4.58 0.25 10.12 2.12 -1.26 -5.02 118.70 129.27 2k7o s GLU 89 Ca 0.65 1.25 -0.30 0.00 0.36 0.00 0.00 54.97 56.93 2k7o s GLU 89 Cb -0.48 -3.38 -0.09 0.00 0.26 0.00 0.00 34.13 30.44 2k7o s GLU 89 CO 0.45 0.20 1.07 -1.01 -0.54 0.00 0.00 175.26 175.44 2k7o s HIS 90 N 0.14 3.66 -2.35 5.30 3.76 -1.26 -5.33 115.29 119.21 2k7o s HIS 90 Ca 0.43 1.72 0.29 0.00 -0.15 0.00 0.00 55.06 57.36 2k7o s HIS 90 Cb -0.21 -3.23 1.31 0.00 1.11 0.00 0.00 32.58 31.56 2k7o s HIS 90 CO 0.26 -0.37 1.89 -1.91 -0.85 0.00 0.00 174.74 173.76