#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 1.23 -0.20 4.33 3.07 -2.06 0.08 114.58 121.03 2k7o h GLU 2 Ca 0.00 -0.07 -0.15 0.00 -0.50 0.00 0.00 59.36 58.63 2k7o h GLU 2 Cb 0.00 -0.28 -0.01 0.00 -0.84 0.00 0.00 28.75 27.62 2k7o h GLU 2 CO 0.00 0.82 -0.51 1.25 -1.40 0.00 0.00 179.01 179.17 2k7o h LEU 3 N 1.27 0.61 -0.41 1.33 6.46 -2.06 -3.00 115.31 119.51 2k7o h LEU 3 Ca 0.34 -0.31 -0.15 0.00 -0.12 0.00 0.00 57.88 57.64 2k7o h LEU 3 Cb -0.14 -0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 39.60 2k7o h LEU 3 CO -0.08 1.01 -0.34 -0.08 -0.62 0.00 0.00 178.44 178.34 2k7o h GLU 4 N 0.44 0.96 -1.00 1.25 4.81 -1.82 -2.93 114.58 116.30 2k7o h GLU 4 Ca 0.02 -0.48 0.01 0.00 -0.13 0.00 0.00 59.36 58.78 2k7o h GLU 4 Cb 1.04 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.38 2k7o h GLU 4 CO 0.10 1.14 0.66 -0.22 -0.73 0.00 0.00 179.01 179.96 2k7o h LYS 5 N 0.79 1.31 -0.30 1.92 3.64 -0.96 0.33 116.57 123.29 2k7o h LYS 5 Ca 0.07 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2k7o h LYS 5 Cb 0.93 -0.29 -0.02 0.00 -0.41 0.00 0.00 32.23 32.44 2k7o h LYS 5 CO 0.09 0.87 0.20 0.00 -2.27 0.00 0.00 179.45 178.34 2k7o h ALA 6 N 1.38 0.39 0.05 5.00 0.00 -1.40 0.50 119.26 125.18 2k7o h ALA 6 Ca 0.37 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.25 2k7o h ALA 6 Cb -0.15 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.52 2k7o h ALA 6 CO -0.08 -0.15 -0.02 1.98 0.00 0.00 0.00 179.25 180.98 2k7o h MET 7 N 0.41 -0.07 -1.00 0.00 1.85 -1.19 -1.56 114.93 113.38 2k7o h MET 7 Ca 0.11 0.00 0.01 0.00 -0.61 0.00 0.00 59.70 59.22 2k7o h MET 7 Cb -0.05 0.01 -0.05 0.00 0.43 0.00 0.00 31.60 31.95 2k7o h MET 7 CO -0.02 0.03 0.66 0.28 -0.40 0.00 0.00 176.91 177.46 2k7o h VAL 8 N -0.15 1.26 -0.91 -5.77 2.07 -0.65 -1.98 116.25 110.12 2k7o h VAL 8 Ca -0.01 -0.46 0.01 0.00 0.82 0.00 0.00 66.70 67.06 2k7o h VAL 8 Cb 0.13 -0.22 -0.05 0.00 -1.52 0.00 0.00 31.29 29.64 2k7o h VAL 8 CO 0.01 0.25 0.60 0.00 0.02 0.00 0.00 177.57 178.45 2k7o h ALA 9 N 1.37 1.15 -0.61 1.67 0.00 0.36 -2.47 119.26 120.73 2k7o h ALA 9 Ca 0.37 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.21 2k7o h ALA 9 Cb -0.16 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.24 2k7o h ALA 9 CO -0.08 0.55 0.37 1.25 0.00 0.00 0.00 179.25 181.34 2k7o h LEU 10 N 1.23 0.74 -0.01 0.00 6.46 -0.53 -0.14 115.31 123.06 2k7o h LEU 10 Ca 0.33 -0.06 0.00 0.00 -0.12 0.00 0.00 57.88 58.03 2k7o h LEU 10 Cb -0.14 -0.19 -0.00 0.00 -0.73 0.00 0.00 40.66 39.60 2k7o h LEU 10 CO -0.07 0.58 0.00 0.40 -0.62 0.00 0.00 178.44 178.73 2k7o h ILE 11 N 0.83 1.00 -1.01 4.05 2.04 -1.19 0.43 117.51 123.67 2k7o h ILE 11 Ca 0.22 -0.01 0.01 0.00 1.00 0.00 0.00 64.86 66.08 2k7o h ILE 11 Cb -0.02 1.00 -0.05 0.00 -0.74 0.00 0.00 36.82 37.01 2k7o h ILE 11 CO -0.04 0.00 0.67 -0.78 0.00 0.00 0.00 178.15 178.00 2k7o h ASP 12 N 0.01 1.16 -0.53 1.72 1.82 -1.19 -0.31 116.42 119.09 2k7o h ASP 12 Ca 0.00 -0.03 -0.12 0.00 -0.39 0.00 0.00 57.03 56.49 2k7o h ASP 12 Cb 0.00 -0.29 -0.02 0.00 0.68 0.00 0.00 39.33 39.71 2k7o h ASP 12 CO -0.00 0.84 -0.13 0.58 -1.61 0.00 0.00 179.24 178.91 2k7o h VAL 13 N 1.37 1.27 0.40 2.25 2.07 -0.41 -2.45 116.25 120.75 2k7o h VAL 13 Ca 0.37 -1.30 -0.02 0.00 0.82 0.00 0.00 66.70 66.57 2k7o h VAL 13 Cb -0.16 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.61 2k7o h VAL 13 CO -0.08 0.46 -0.19 0.15 0.02 0.00 0.00 177.57 177.92 2k7o h PHE 14 N 0.91 -0.50 -0.89 1.57 3.04 0.72 -1.75 116.94 120.03 2k7o h PHE 14 Ca 0.13 -0.01 0.01 0.00 3.98 0.00 0.00 57.97 62.08 2k7o h PHE 14 Cb 0.71 0.16 -0.04 0.00 2.56 0.00 0.00 35.95 39.34 2k7o h PHE 14 CO 0.05 -0.22 0.59 1.25 -2.02 0.00 0.00 178.31 177.96 2k7o h HIS 15 N -0.71 1.12 -0.42 0.41 2.76 -1.11 0.63 115.15 117.83 2k7o h HIS 15 Ca -0.05 0.03 -0.15 0.00 -2.20 0.00 0.00 60.37 57.99 2k7o h HIS 15 Cb 0.50 -0.38 -0.01 0.00 1.55 0.00 0.00 27.41 29.08 2k7o h HIS 15 CO -0.01 0.70 -0.33 1.96 -1.30 0.00 0.00 177.93 178.95 2k7o h GLN 16 N 1.20 0.96 -0.03 5.26 4.20 -1.44 0.65 115.11 125.92 2k7o h GLN 16 Ca 0.33 -0.48 -0.11 0.00 0.06 0.00 0.00 58.65 58.46 2k7o h GLN 16 Cb -0.14 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.65 2k7o h GLN 16 CO -0.07 1.14 -0.40 -0.92 -0.67 0.00 0.00 178.83 177.91 2k7o h TYR 17 N 0.80 0.45 0.00 2.96 3.20 -0.97 -3.19 116.97 120.21 2k7o h TYR 17 Ca 0.08 -0.23 -0.00 0.00 3.14 0.00 0.00 58.73 61.72 2k7o h TYR 17 Cb 0.92 -0.06 -0.00 0.00 1.54 0.00 0.00 36.73 39.14 2k7o h TYR 17 CO 0.06 1.01 -0.01 1.03 -1.64 0.00 0.00 178.16 178.61 2k7o h SER 18 N -0.24 0.00 -0.19 -2.11 0.87 0.22 -2.75 113.55 109.35 2k7o h SER 18 Ca -0.04 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.51 2k7o h SER 18 Cb 1.10 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.05 2k7o h SER 18 CO 0.08 0.01 0.01 0.61 -0.53 0.00 0.00 176.83 177.01 2k7o n GLY 19 N 0.05 2.02 0.08 5.77 0.00 0.22 -4.03 105.19 109.29 2k7o n GLY 19 Ca 0.01 -0.29 -0.11 0.00 0.00 0.00 0.00 46.02 45.62 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 1.18 0.00 -4.25 1.61 3.08 -1.59 -3.49 114.38 110.91 2k7o h ARG 20 Ca 0.01 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.94 2k7o h ARG 20 Cb 1.01 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 30.91 2k7o h ARG 20 CO 0.17 0.42 -0.68 -1.21 -1.07 0.00 0.00 179.97 177.60 2k7o s GLU 21 N -2.22 0.62 0.00 0.04 2.02 -1.26 -5.12 118.70 112.78 2k7o s GLU 21 Ca -0.19 -1.22 0.00 0.00 0.02 0.00 0.00 54.97 53.58 2k7o s GLU 21 Cb 0.03 0.19 0.00 0.00 0.10 0.00 0.00 34.13 34.45 2k7o s GLU 21 CO 0.36 -0.11 0.00 0.41 0.02 0.00 0.00 175.26 175.94 2k7o n GLY 22 N 0.11 0.31 0.26 -1.39 0.00 -1.26 -4.67 105.19 98.54 2k7o n GLY 22 Ca -0.14 -2.05 -0.16 0.00 0.00 0.00 0.00 46.02 43.67 2k7o n GLY 22 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2k7o h ASP 23 N 0.00 -0.52 0.00 1.61 1.82 -1.91 -3.48 116.42 113.94 2k7o h ASP 23 Ca 0.00 0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.65 2k7o h ASP 23 Cb 0.00 0.13 0.00 0.00 0.68 0.00 0.00 39.33 40.14 2k7o h ASP 23 CO 0.00 -0.36 0.00 1.17 -1.61 0.00 0.00 179.24 178.44 2k7o n LYS 24 N -5.35 0.00 -0.72 0.28 4.81 -1.26 -4.96 118.16 110.96 2k7o n LYS 24 Ca -0.11 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.32 2k7o n LYS 24 Cb 0.26 0.00 0.24 0.00 0.02 0.00 0.00 35.03 35.55 2k7o n LYS 24 CO 0.00 0.00 0.00 -2.39 1.17 0.00 0.00 177.40 176.18 2k7o n HIS 25 N -2.14 1.36 -3.79 5.64 1.44 -1.26 -3.95 115.22 112.52 2k7o n HIS 25 Ca 0.00 -1.27 -0.36 0.00 -2.01 0.00 0.00 57.72 54.07 2k7o n HIS 25 Cb 0.00 -0.48 -0.12 0.00 0.12 0.00 0.00 29.99 29.51 2k7o n HIS 25 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 2k7o s LYS 26 N -3.05 3.73 -0.26 -1.40 3.01 -1.26 -4.08 119.74 116.43 2k7o s LYS 26 Ca 0.46 -0.44 -0.13 0.00 -1.01 0.00 0.00 55.97 54.85 2k7o s LYS 26 Cb 0.39 -3.34 -0.05 0.00 -1.01 0.00 0.00 37.83 33.83 2k7o s LYS 26 CO 0.06 -0.12 0.26 -0.51 0.51 0.00 0.00 175.35 175.55 2k7o s LEU 27 N 1.44 4.07 0.47 3.17 1.43 -1.19 -4.69 118.68 123.37 2k7o s LEU 27 Ca 0.06 0.17 -0.02 0.00 -1.03 0.00 0.00 54.13 53.31 2k7o s LEU 27 Cb -0.15 -2.25 -0.01 0.00 0.03 0.00 0.00 46.19 43.81 2k7o s LEU 27 CO 0.04 -0.06 0.73 -0.75 0.23 0.00 0.00 176.35 176.54 2k7o s LYS 28 N 1.61 3.15 0.25 1.70 2.20 -1.26 -2.46 119.74 124.92 2k7o s LYS 28 Ca 0.11 -0.26 -0.06 0.00 -0.36 0.00 0.00 55.97 55.40 2k7o s LYS 28 Cb -0.15 -2.48 0.27 0.00 -1.51 0.00 0.00 37.83 33.96 2k7o s LYS 28 CO 0.09 -0.31 1.93 0.87 -0.36 0.00 0.00 175.35 177.56 2k7o h LYS 29 N 0.28 1.31 -0.76 4.03 1.57 -1.98 0.65 116.57 121.68 2k7o h LYS 29 Ca -0.46 -0.08 -0.06 0.00 -1.87 0.00 0.00 60.65 58.18 2k7o h LYS 29 Cb 1.24 -0.30 -0.03 0.00 0.08 0.00 0.00 32.23 33.22 2k7o h LYS 29 CO 0.59 0.87 0.25 0.66 -0.57 0.00 0.00 179.45 181.25 2k7o h SER 30 N 1.35 1.10 0.28 0.86 4.64 -1.98 0.63 113.55 120.42 2k7o h SER 30 Ca 0.37 -0.20 -0.12 0.00 -0.47 0.00 0.00 61.79 61.37 2k7o h SER 30 Cb -0.14 -0.29 -0.01 0.00 -0.31 0.00 0.00 62.40 61.65 2k7o h SER 30 CO -0.09 1.01 -0.48 -0.33 -0.87 0.00 0.00 176.83 176.07 2k7o h GLU 31 N 1.13 0.24 -0.36 4.77 5.08 -1.59 -2.64 114.58 121.22 2k7o h GLU 31 Ca 0.25 -0.13 -0.16 0.00 -1.00 0.00 0.00 59.36 58.32 2k7o h GLU 31 Cb 0.30 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 2k7o h GLU 31 CO -0.01 0.67 -0.39 1.25 -1.00 0.00 0.00 179.01 179.54 2k7o h LEU 32 N 0.19 0.96 -0.79 1.33 5.85 1.00 -2.24 115.31 121.61 2k7o h LEU 32 Ca 0.01 -0.48 -0.05 0.00 0.84 0.00 0.00 57.88 58.21 2k7o h LEU 32 Cb 0.92 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.65 2k7o h LEU 32 CO 0.07 1.24 0.30 0.50 -0.34 0.00 0.00 178.44 180.21 2k7o h LYS 33 N 0.69 1.19 -0.37 1.25 3.64 -0.75 -1.54 116.57 120.69 2k7o h LYS 33 Ca 0.05 -0.22 -0.07 0.00 -1.27 0.00 0.00 60.65 59.14 2k7o h LYS 33 Cb 0.98 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.60 2k7o h LYS 33 CO 0.09 0.97 -0.04 0.93 -2.27 0.00 0.00 179.45 179.13 2k7o h GLU 34 N 1.15 0.68 -0.36 1.90 5.08 -1.40 -1.56 114.58 120.09 2k7o h GLU 34 Ca 0.26 -0.24 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2k7o h GLU 34 Cb 0.24 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 2k7o h GLU 34 CO -0.02 0.81 0.23 1.25 -1.00 0.00 0.00 179.01 180.29 2k7o h LEU 35 N 0.49 0.40 -0.53 1.33 5.85 -1.13 -0.29 115.31 121.43 2k7o h LEU 35 Ca 0.10 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 2k7o h LEU 35 Cb 0.53 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.44 2k7o h LEU 35 CO 0.03 0.29 0.27 0.40 -0.34 0.00 0.00 178.44 179.08 2k7o h ILE 36 N 0.48 1.19 -0.85 4.05 2.04 -1.18 0.28 117.51 123.52 2k7o h ILE 36 Ca 0.13 -0.53 -0.03 0.00 1.00 0.00 0.00 64.86 65.42 2k7o h ILE 36 Cb -0.05 0.57 -0.04 0.00 -0.74 0.00 0.00 36.82 36.56 2k7o h ILE 36 CO -0.03 0.22 0.41 0.78 0.00 0.00 0.00 178.15 179.52 2k7o h ASN 37 N 0.71 1.12 0.01 1.72 2.35 -0.86 -2.11 115.58 118.52 2k7o h ASN 37 Ca 0.18 -0.14 -0.00 0.00 -0.55 0.00 0.00 56.30 55.80 2k7o h ASN 37 Cb 0.10 -0.29 0.00 0.00 0.05 0.00 0.00 38.32 38.18 2k7o h ASN 37 CO -0.02 0.94 -0.00 -1.13 -1.65 0.00 0.00 177.43 175.56 2k7o h ASN 38 N 1.22 -0.01 0.00 5.81 -0.73 -0.72 -3.41 115.58 117.74 2k7o h ASN 38 Ca 0.29 -0.80 0.00 0.00 1.87 0.00 0.00 56.30 57.67 2k7o h ASN 38 Cb 0.12 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.72 2k7o h ASN 38 CO -0.04 0.86 0.00 -0.62 -0.37 0.00 0.00 177.43 177.27 2k7o n GLU 39 N -4.67 0.00 -2.89 6.67 1.02 0.96 -4.73 120.64 117.01 2k7o n GLU 39 Ca -0.08 0.21 -0.43 0.00 -0.02 0.00 0.00 57.16 56.83 2k7o n GLU 39 Cb 0.39 -0.65 -0.03 0.00 -0.02 0.00 0.00 31.44 31.12 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 -3.24 4.72 0.00 -4.62 1.02 -0.80 -4.52 118.68 111.23 2k7o s LEU 40 Ca 0.00 -1.53 0.00 0.00 0.02 0.00 0.00 54.13 52.62 2k7o s LEU 40 Cb 0.00 -2.41 0.00 0.00 0.02 0.00 0.00 46.19 43.80 2k7o s LEU 40 CO 0.00 -1.25 0.00 -0.24 0.02 0.00 0.00 176.35 174.88 2k7o n SER 41 N 7.13 0.00 0.00 2.29 2.88 -1.17 -4.22 113.62 120.54 2k7o n SER 41 Ca 0.10 0.00 0.10 0.00 -1.33 0.00 0.00 58.87 57.74 2k7o n SER 41 Cb 0.47 0.00 0.49 0.00 -0.75 0.00 0.00 64.21 64.42 2k7o n SER 41 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 2k7o n HIS 42 N -1.11 0.00 0.30 0.66 -0.00 -1.26 -2.58 115.22 111.24 2k7o n HIS 42 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 57.72 57.75 2k7o n HIS 42 Cb 0.00 -0.35 -0.03 0.00 -0.00 0.00 0.00 29.99 29.61 2k7o n HIS 42 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.34 177.53 2k7o n PHE 43 N -1.35 0.00 -3.64 1.57 3.01 -1.26 -5.03 117.46 110.76 2k7o n PHE 43 Ca 0.08 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 58.31 2k7o n PHE 43 Cb 0.18 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.64 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 -2.23 3.06 -0.04 4.37 1.02 -1.06 -5.01 118.68 118.79 2k7o s LEU 44 Ca 0.03 -0.97 0.09 0.00 0.02 0.00 0.00 54.13 53.30 2k7o s LEU 44 Cb 0.05 -1.63 0.34 0.00 0.02 0.00 0.00 46.19 44.98 2k7o s LEU 44 CO 0.26 -0.93 1.20 -0.62 0.02 0.00 0.00 176.35 176.28 2k7o n GLU 45 N -1.72 2.23 -2.72 1.70 1.02 -1.26 -4.92 120.64 114.96 2k7o n GLU 45 Ca 0.03 -1.37 -0.03 0.00 -0.02 0.00 0.00 57.16 55.77 2k7o n GLU 45 Cb 0.63 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.52 2k7o n GLU 45 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2k7o n GLU 46 N 0.45 -3.76 -2.04 3.49 1.02 -1.26 -4.81 120.64 113.72 2k7o n GLU 46 Ca 0.12 2.93 -0.42 0.00 -0.02 0.00 0.00 57.16 59.77 2k7o n GLU 46 Cb 0.45 -4.59 -0.03 0.00 -0.02 0.00 0.00 31.44 27.26 2k7o n GLU 46 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2k7o s ILE 47 N -0.94 3.39 -0.09 -3.67 1.01 -1.26 -4.87 121.20 114.76 2k7o s ILE 47 Ca -0.16 0.74 0.17 0.00 0.00 0.00 0.00 60.65 61.40 2k7o s ILE 47 Cb 0.01 -3.48 -0.24 0.00 0.01 0.00 0.00 42.46 38.76 2k7o s ILE 47 CO 0.68 -0.02 0.23 1.17 0.00 0.00 0.00 174.94 177.01 2k7o n LYS 48 N 5.88 0.89 -3.87 2.79 3.00 -1.26 -4.95 118.16 120.65 2k7o n LYS 48 Ca 0.15 -0.09 -0.36 0.00 -0.00 0.00 0.00 58.31 58.01 2k7o n LYS 48 Cb 0.42 -1.43 -0.07 0.00 0.00 0.00 0.00 35.03 33.95 2k7o n LYS 48 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 2k7o s GLU 49 N -2.85 3.67 0.15 1.64 0.41 -1.26 -4.99 118.70 115.47 2k7o s GLU 49 Ca -0.07 -0.18 -0.10 0.00 -0.41 0.00 0.00 54.97 54.20 2k7o s GLU 49 Cb 0.08 -3.24 -0.01 0.00 -1.78 0.00 0.00 34.13 29.19 2k7o s GLU 49 CO 0.72 0.61 1.52 1.96 -0.49 0.00 0.00 175.26 179.58 2k7o h GLN 50 N 5.58 0.98 -0.65 1.61 1.08 -2.01 -2.91 115.11 118.79 2k7o h GLN 50 Ca -0.50 -0.45 0.16 0.00 -1.45 0.00 0.00 58.65 56.41 2k7o h GLN 50 Cb 1.20 -0.02 -0.04 0.00 -0.05 0.00 0.00 27.48 28.58 2k7o h GLN 50 CO 0.64 1.13 0.45 0.93 -0.95 0.00 0.00 178.83 181.02 2k7o h GLU 51 N 0.83 0.19 -0.28 1.46 4.39 -2.00 0.37 114.58 119.54 2k7o h GLU 51 Ca 0.09 -0.01 -0.05 0.00 0.34 0.00 0.00 59.36 59.73 2k7o h GLU 51 Cb 0.86 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.45 2k7o h GLU 51 CO 0.08 0.12 -0.06 0.28 -1.16 0.00 0.00 179.01 178.27 2k7o h VAL 52 N 0.19 1.20 -0.20 3.13 2.07 -1.93 -0.99 116.25 119.71 2k7o h VAL 52 Ca 0.31 -0.84 -0.09 0.00 0.82 0.00 0.00 66.70 66.91 2k7o h VAL 52 Cb 0.97 1.05 -0.00 0.00 -1.52 0.00 0.00 31.29 31.79 2k7o h VAL 52 CO -0.06 0.28 -0.22 0.58 0.02 0.00 0.00 177.57 178.17 2k7o h VAL 53 N 0.43 1.33 -0.01 2.57 2.07 -0.36 -1.34 116.25 120.94 2k7o h VAL 53 Ca 0.09 -1.39 0.00 0.00 0.82 0.00 0.00 66.70 66.22 2k7o h VAL 53 Cb 0.38 1.77 -0.00 0.00 -1.52 0.00 0.00 31.29 31.92 2k7o h VAL 53 CO 0.02 0.43 0.00 -0.78 0.02 0.00 0.00 177.57 177.26 2k7o h ASP 54 N 0.18 0.01 -0.01 0.57 1.82 -0.96 1.60 116.42 119.61 2k7o h ASP 54 Ca 0.03 -0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.67 2k7o h ASP 54 Cb 0.77 -0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.78 2k7o h ASP 54 CO 0.05 0.01 0.00 0.50 -1.61 0.00 0.00 179.24 178.20 2k7o h LYS 55 N 0.00 0.01 -0.80 0.28 3.64 -1.21 0.28 116.57 118.77 2k7o h LYS 55 Ca 0.00 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 2k7o h LYS 55 Cb 0.00 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.78 2k7o h LYS 55 CO -0.00 0.01 0.41 0.28 -2.27 0.00 0.00 179.45 177.88 2k7o h VAL 56 N 0.01 1.24 -0.00 2.00 2.07 -0.93 -1.05 116.25 119.59 2k7o h VAL 56 Ca 0.00 -0.65 0.00 0.00 0.82 0.00 0.00 66.70 66.87 2k7o h VAL 56 Cb 0.00 0.21 -0.00 0.00 -1.52 0.00 0.00 31.29 29.98 2k7o h VAL 56 CO -0.00 0.28 0.00 -0.03 0.02 0.00 0.00 177.57 177.84 2k7o h MET 57 N 1.12 0.00 -0.81 1.57 1.85 0.29 0.81 114.93 119.77 2k7o h MET 57 Ca 0.28 -0.00 0.01 0.00 -0.61 0.00 0.00 59.70 59.38 2k7o h MET 57 Cb 0.08 -0.00 -0.04 0.00 0.43 0.00 0.00 31.60 32.07 2k7o h MET 57 CO -0.04 0.00 0.54 1.49 -0.40 0.00 0.00 176.91 178.50 2k7o h GLU 58 N 0.00 1.07 -0.59 0.39 4.57 -0.71 0.73 114.58 120.03 2k7o h GLU 58 Ca 0.00 -0.06 -0.10 0.00 -1.18 0.00 0.00 59.36 58.01 2k7o h GLU 58 Cb 0.00 -0.24 -0.02 0.00 -0.16 0.00 0.00 28.75 28.33 2k7o h GLU 58 CO -0.00 0.71 -0.04 1.15 -1.18 0.00 0.00 179.01 179.65 2k7o h THR 59 N 1.10 1.27 -0.24 0.32 2.02 -0.68 -3.06 112.91 113.63 2k7o h THR 59 Ca 0.30 -1.20 -0.17 0.00 0.77 0.00 0.00 66.41 66.10 2k7o h THR 59 Cb -0.13 0.85 0.00 0.00 -1.74 0.00 0.00 68.15 67.13 2k7o h THR 59 CO -0.06 0.43 -0.52 0.25 0.37 0.00 0.00 175.52 175.99 2k7o h LEU 60 N 0.97 0.87 -8.52 2.58 7.12 0.14 -3.41 115.31 115.07 2k7o h LEU 60 Ca 0.16 -0.55 -0.48 0.00 0.13 0.00 0.00 57.88 57.14 2k7o h LEU 60 Cb 0.61 -0.25 -0.02 0.00 -0.53 0.00 0.00 40.66 40.47 2k7o h LEU 60 CO 0.04 1.26 1.41 -1.81 -0.13 0.00 0.00 178.44 179.21 2k7o s ASP 61 N -6.85 4.98 0.19 1.25 1.01 0.25 -4.80 116.67 112.70 2k7o s ASP 61 Ca -0.11 0.54 -0.09 0.00 0.71 0.00 0.00 52.55 53.60 2k7o s ASP 61 Cb 0.09 -2.52 0.08 0.00 1.01 0.00 0.00 42.92 41.57 2k7o s ASP 61 CO 0.87 -2.57 1.65 -0.33 0.21 0.00 0.00 175.17 175.00 2k7o h GLU 62 N 16.32 1.08 0.00 8.23 4.39 -1.82 -2.65 114.58 140.13 2k7o h GLU 62 Ca -0.24 -0.34 0.00 0.00 0.34 0.00 0.00 59.36 59.12 2k7o h GLU 62 Cb 1.19 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.74 2k7o h GLU 62 CO 1.20 1.05 -0.35 -0.40 -1.16 0.00 0.00 179.01 179.35 2k7o n ASP 63 N -4.18 0.39 -1.22 1.42 5.75 -1.26 -4.93 116.55 112.52 2k7o n ASP 63 Ca 0.03 0.05 -0.13 0.00 -0.01 0.00 0.00 54.79 54.73 2k7o n ASP 63 Cb 0.35 -0.03 -0.03 0.00 -1.03 0.00 0.00 41.12 40.38 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 1.47 0.65 0.00 6.12 0.00 -1.00 -4.86 105.19 107.58 2k7o n GLY 64 Ca 0.06 -0.39 0.09 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.26 0.00 0.00 1.61 5.75 -1.26 -4.84 116.55 117.55 2k7o n ASP 65 Ca -0.14 0.01 0.00 0.00 -0.01 0.00 0.00 54.79 54.65 2k7o n ASP 65 Cb 0.51 -0.28 0.00 0.00 -1.03 0.00 0.00 41.12 40.32 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 0.33 2.70 3.18 6.12 0.00 -1.26 -4.96 105.19 111.29 2k7o n GLY 66 Ca 0.09 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.00 0.97 -0.36 1.61 -1.05 -1.26 -4.60 118.70 114.00 2k7o s GLU 67 Ca 0.00 -1.46 -0.06 0.00 -0.15 0.00 0.00 54.97 53.30 2k7o s GLU 67 Cb 0.00 0.04 0.06 0.00 -0.44 0.00 0.00 34.13 33.78 2k7o s GLU 67 CO 0.00 -0.20 0.14 0.00 0.95 0.00 0.00 175.26 176.15 2k7o n ASP 69 N 4.79 -1.38 0.03 0.00 5.75 -1.26 -3.18 116.55 121.30 2k7o n ASP 69 Ca -0.11 -1.22 -0.12 0.00 -0.01 0.00 0.00 54.79 53.34 2k7o n ASP 69 Cb 0.44 -0.93 -0.07 0.00 -1.03 0.00 0.00 41.12 39.53 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 -2.36 0.02 0.37 2.11 3.57 -1.99 0.23 116.94 118.89 2k7o h PHE 70 Ca -0.38 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.10 2k7o h PHE 70 Cb 1.14 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.87 2k7o h PHE 70 CO 0.00 0.01 -0.24 1.96 -2.23 0.00 0.00 178.31 177.81 2k7o h GLN 71 N 0.02 -0.57 -0.90 1.11 7.50 -1.96 -1.70 115.11 118.61 2k7o h GLN 71 Ca 0.00 0.04 0.01 0.00 0.50 0.00 0.00 58.65 59.20 2k7o h GLN 71 Cb 0.00 0.13 -0.04 0.00 0.05 0.00 0.00 27.48 27.62 2k7o h GLN 71 CO -0.00 -0.38 0.59 1.49 -1.50 0.00 0.00 178.83 179.03 2k7o h GLU 72 N -0.59 1.19 -1.01 1.46 4.81 -1.90 -1.52 114.58 117.02 2k7o h GLU 72 Ca -0.04 -0.07 0.18 0.00 -0.13 0.00 0.00 59.36 59.30 2k7o h GLU 72 Cb 0.49 -0.27 -0.10 0.00 0.63 0.00 0.00 28.75 29.50 2k7o h GLU 72 CO 0.03 0.79 0.61 0.35 -0.73 0.00 0.00 179.01 180.07 2k7o h PHE 73 N 1.22 1.08 0.00 0.92 3.57 -0.03 0.85 116.94 124.55 2k7o h PHE 73 Ca 0.33 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.81 2k7o h PHE 73 Cb -0.13 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 38.27 2k7o h PHE 73 CO -0.01 0.26 -0.25 1.98 -2.23 0.00 0.00 178.31 178.06 2k7o h MET 74 N 0.79 0.00 0.25 1.11 4.05 -0.37 -2.71 114.93 118.05 2k7o h MET 74 Ca 0.57 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.98 2k7o h MET 74 Cb 0.86 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.67 2k7o h MET 74 CO -0.37 0.25 -0.12 0.00 0.23 0.00 0.00 176.91 176.89 2k7o h ALA 75 N 1.75 -0.34 -1.01 0.39 0.00 0.87 -0.65 119.26 120.27 2k7o h ALA 75 Ca -0.00 -0.18 0.21 0.00 0.00 0.00 0.00 54.91 54.94 2k7o h ALA 75 Cb 0.48 0.13 -0.11 0.00 0.00 0.00 0.00 17.79 18.29 2k7o h ALA 75 CO 0.03 -0.53 0.61 0.35 0.00 0.00 0.00 179.25 179.70 2k7o h PHE 76 N -0.66 1.05 -0.63 0.00 3.04 -1.18 1.64 116.94 120.21 2k7o h PHE 76 Ca -0.03 0.03 -0.05 0.00 3.98 0.00 0.00 57.97 61.90 2k7o h PHE 76 Cb 0.46 -0.31 -0.03 0.00 2.56 0.00 0.00 35.95 38.63 2k7o h PHE 76 CO 0.02 0.17 0.18 0.28 -2.02 0.00 0.00 178.31 176.95 2k7o h VAL 77 N 0.70 1.25 -0.07 1.41 2.07 -1.24 -2.48 116.25 117.89 2k7o h VAL 77 Ca 0.61 -0.86 -0.03 0.00 0.82 0.00 0.00 66.70 67.23 2k7o h VAL 77 Cb 1.02 0.62 -0.00 0.00 -1.52 0.00 0.00 31.29 31.41 2k7o h VAL 77 CO -0.42 0.33 -0.08 0.77 0.02 0.00 0.00 177.57 178.19 2k7o h SER 78 N 0.90 0.18 -0.98 0.57 4.64 0.26 -2.84 113.55 116.29 2k7o h SER 78 Ca 0.20 -0.50 0.25 0.00 -0.47 0.00 0.00 61.79 61.27 2k7o h SER 78 Cb 0.31 -0.05 -0.13 0.00 -0.31 0.00 0.00 62.40 62.22 2k7o h SER 78 CO -0.00 0.64 0.55 -0.03 -0.87 0.00 0.00 176.83 177.12 2k7o h MET 79 N -0.28 0.50 0.00 4.77 -1.53 0.20 2.86 114.93 121.45 2k7o h MET 79 Ca 0.01 -0.03 -0.07 0.00 -3.44 0.00 0.00 59.70 56.17 2k7o h MET 79 Cb 0.60 -0.11 -0.01 0.00 -0.55 0.00 0.00 31.60 31.52 2k7o h MET 79 CO 0.02 0.33 -0.34 0.28 0.14 0.00 0.00 176.91 177.34 2k7o h VAL 80 N 0.51 1.00 0.06 -5.77 2.07 -1.38 0.26 116.25 113.00 2k7o h VAL 80 Ca 0.64 -1.27 -0.15 0.00 0.82 0.00 0.00 66.70 66.74 2k7o h VAL 80 Cb 1.25 1.73 -0.00 0.00 -1.52 0.00 0.00 31.29 32.75 2k7o h VAL 80 CO -0.50 0.33 -0.74 0.74 0.02 0.00 0.00 177.57 177.42 2k7o h THR 81 N 0.00 1.40 0.00 2.57 2.02 0.41 -3.24 112.91 116.07 2k7o h THR 81 Ca -0.00 -2.38 0.00 0.00 0.77 0.00 0.00 66.41 64.80 2k7o h THR 81 Cb 0.71 2.99 0.00 0.00 -1.74 0.00 0.00 68.15 70.11 2k7o h THR 81 CO 0.04 0.61 0.00 0.74 0.37 0.00 0.00 175.52 177.28 2k7o h THR 82 N -0.69 0.00 0.10 3.16 2.02 0.40 -3.23 112.91 114.68 2k7o h THR 82 Ca -0.16 -0.30 -0.00 0.00 0.77 0.00 0.00 66.41 66.71 2k7o h THR 82 Cb 1.39 1.11 0.00 0.00 -1.74 0.00 0.00 68.15 68.90 2k7o h THR 82 CO 0.02 0.00 -0.05 0.00 0.37 0.00 0.00 175.52 175.86 2k7o h ALA 83 N 2.15 -0.22 0.00 6.16 0.00 -0.58 -3.35 119.26 123.42 2k7o h ALA 83 Ca 0.00 -0.03 -0.68 0.00 0.00 0.00 0.00 54.91 54.20 2k7o h ALA 83 Cb 0.37 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2k7o h ALA 83 CO 0.00 -0.21 2.98 0.00 0.00 0.00 0.00 179.25 182.02 2k7o h HIS 85 N 6.39 1.26 -3.86 0.00 2.76 -1.71 -3.42 115.15 116.57 2k7o h HIS 85 Ca 0.56 0.03 -0.52 0.00 -2.20 0.00 0.00 60.37 58.24 2k7o h HIS 85 Cb 0.60 -0.42 0.05 0.00 1.55 0.00 0.00 27.41 29.19 2k7o h HIS 85 CO 1.46 0.80 0.58 -1.21 -1.30 0.00 0.00 177.93 178.26 2k7o s GLU 86 N -6.10 4.44 0.29 5.26 0.41 -1.26 -4.96 118.70 116.77 2k7o s GLU 86 Ca -0.13 2.07 -0.29 0.00 -0.41 0.00 0.00 54.97 56.21 2k7o s GLU 86 Cb 0.18 -3.10 -0.10 0.00 -1.78 0.00 0.00 34.13 29.33 2k7o s GLU 86 CO 0.82 -0.06 1.33 0.12 -0.49 0.00 0.00 175.26 176.98 2k7o s PHE 87 N -1.16 3.10 0.41 1.61 5.36 -1.26 -4.95 117.98 121.10 2k7o s PHE 87 Ca 0.48 1.31 -0.26 0.00 -0.96 0.00 0.00 56.93 57.49 2k7o s PHE 87 Cb -0.37 -3.68 -0.09 0.00 -0.34 0.00 0.00 43.02 38.54 2k7o s PHE 87 CO 0.49 -1.98 1.42 -0.06 -1.46 0.00 0.00 175.22 173.63 2k7o s PHE 88 N -0.69 2.58 0.38 10.12 0.40 -1.26 -4.91 117.98 124.59 2k7o s PHE 88 Ca 0.52 1.26 -0.28 0.00 -0.60 0.00 0.00 56.93 57.83 2k7o s PHE 88 Cb -0.39 -3.91 -0.11 0.00 0.51 0.00 0.00 43.02 39.12 2k7o s PHE 88 CO 0.48 -2.79 1.50 -1.21 0.70 0.00 0.00 175.22 173.90 2k7o s GLU 89 N -2.27 4.10 0.25 0.44 0.41 -1.26 -4.88 118.70 115.48 2k7o s GLU 89 Ca 0.57 2.59 -0.06 0.00 -0.41 0.00 0.00 54.97 57.67 2k7o s GLU 89 Cb -0.44 -2.96 0.26 0.00 -1.78 0.00 0.00 34.13 29.21 2k7o s GLU 89 CO 0.57 -0.56 1.93 1.25 -0.49 0.00 0.00 175.26 177.97 2k7o h HIS 90 N 3.05 1.27 -0.02 1.61 -0.00 -2.05 -3.57 115.15 115.44 2k7o h HIS 90 Ca -0.51 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 59.89 2k7o h HIS 90 Cb 1.24 -0.43 0.00 0.00 -0.00 0.00 0.00 27.41 28.22 2k7o h HIS 90 CO 0.53 0.80 0.00 0.39 -0.00 0.00 0.00 177.93 179.65