#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 1.10 -0.16 -1.46 5.08 -2.07 -1.61 114.58 115.45 2k7o h GLU 2 Ca 0.00 -0.07 -0.10 0.00 -1.00 0.00 0.00 59.36 58.19 2k7o h GLU 2 Cb 0.00 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 28.99 2k7o h GLU 2 CO 0.00 0.72 -0.35 1.25 -1.00 0.00 0.00 179.01 179.63 2k7o h LEU 3 N 1.13 0.35 -0.64 1.33 6.46 -2.06 -2.96 115.31 118.91 2k7o h LEU 3 Ca 0.31 -0.14 -0.08 0.00 -0.12 0.00 0.00 57.88 57.85 2k7o h LEU 3 Cb -0.13 -0.10 -0.03 0.00 -0.73 0.00 0.00 40.66 39.68 2k7o h LEU 3 CO -0.07 0.68 0.09 -0.33 -0.62 0.00 0.00 178.44 178.20 2k7o h GLU 4 N 0.29 1.07 -1.00 1.25 5.08 -1.76 -2.80 114.58 116.71 2k7o h GLU 4 Ca 0.03 -0.29 0.01 0.00 -1.00 0.00 0.00 59.36 58.11 2k7o h GLU 4 Cb 0.76 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.84 2k7o h GLU 4 CO 0.06 0.99 0.66 -0.22 -1.00 0.00 0.00 179.01 179.51 2k7o h LYS 5 N 0.99 1.32 -0.54 2.33 3.64 -1.31 -1.23 116.57 121.77 2k7o h LYS 5 Ca 0.19 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 2k7o h LYS 5 Cb 0.45 -0.30 -0.03 0.00 -0.41 0.00 0.00 32.23 31.95 2k7o h LYS 5 CO 0.01 0.87 0.35 0.00 -2.27 0.00 0.00 179.45 178.42 2k7o h ALA 6 N 1.37 0.69 0.11 5.00 0.00 -1.43 0.57 119.26 125.57 2k7o h ALA 6 Ca 0.37 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.23 2k7o h ALA 6 Cb -0.16 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.42 2k7o h ALA 6 CO -0.08 0.13 -0.05 1.98 0.00 0.00 0.00 179.25 181.23 2k7o h MET 7 N 0.73 -0.14 -0.93 0.00 1.85 -1.20 -2.54 114.93 112.70 2k7o h MET 7 Ca 0.20 0.01 0.01 0.00 -0.61 0.00 0.00 59.70 59.30 2k7o h MET 7 Cb -0.08 0.03 -0.05 0.00 0.43 0.00 0.00 31.60 31.94 2k7o h MET 7 CO -0.04 0.03 0.61 0.28 -0.40 0.00 0.00 176.91 177.39 2k7o h VAL 8 N -0.28 1.24 -0.81 -5.77 2.07 -1.01 -2.29 116.25 109.40 2k7o h VAL 8 Ca -0.01 -0.45 0.01 0.00 0.82 0.00 0.00 66.70 67.06 2k7o h VAL 8 Cb 0.23 -0.13 -0.04 0.00 -1.52 0.00 0.00 31.29 29.83 2k7o h VAL 8 CO 0.02 0.24 0.53 0.00 0.02 0.00 0.00 177.57 178.38 2k7o h ALA 9 N 1.34 1.03 -0.41 1.67 0.00 -0.76 -2.46 119.26 119.67 2k7o h ALA 9 Ca 0.34 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.20 2k7o h ALA 9 Cb -0.14 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.30 2k7o h ALA 9 CO -0.07 0.45 0.27 1.25 0.00 0.00 0.00 179.25 181.15 2k7o h LEU 10 N 1.10 0.48 -0.22 0.00 5.85 -0.98 -0.88 115.31 120.65 2k7o h LEU 10 Ca 0.30 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.01 2k7o h LEU 10 Cb -0.12 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 40.78 2k7o h LEU 10 CO -0.06 0.35 0.15 0.40 -0.34 0.00 0.00 178.44 178.93 2k7o h ILE 11 N 0.56 1.06 -1.01 4.05 2.04 -1.25 -0.07 117.51 122.89 2k7o h ILE 11 Ca 0.15 -0.10 0.05 0.00 1.00 0.00 0.00 64.86 65.95 2k7o h ILE 11 Cb -0.06 0.73 -0.06 0.00 -0.74 0.00 0.00 36.82 36.68 2k7o h ILE 11 CO -0.03 0.05 0.66 -0.78 0.00 0.00 0.00 178.15 178.05 2k7o h ASP 12 N 0.30 1.08 -0.53 1.72 1.82 -1.12 -1.58 116.42 118.12 2k7o h ASP 12 Ca 0.08 -0.00 -0.09 0.00 -0.39 0.00 0.00 57.03 56.63 2k7o h ASP 12 Cb -0.03 -0.24 -0.02 0.00 0.68 0.00 0.00 39.33 39.72 2k7o h ASP 12 CO -0.02 0.73 -0.01 0.58 -1.61 0.00 0.00 179.24 178.90 2k7o h VAL 13 N 1.25 1.26 0.51 2.25 2.07 -0.53 -2.70 116.25 120.36 2k7o h VAL 13 Ca 0.41 -1.12 -0.02 0.00 0.82 0.00 0.00 66.70 66.78 2k7o h VAL 13 Cb 0.05 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 2k7o h VAL 13 CO -0.14 0.40 -0.24 0.15 0.02 0.00 0.00 177.57 177.76 2k7o h PHE 14 N 0.82 -0.63 -0.95 1.57 3.04 -0.10 -2.42 116.94 118.26 2k7o h PHE 14 Ca 0.15 -0.01 0.01 0.00 3.98 0.00 0.00 57.97 62.09 2k7o h PHE 14 Cb 0.55 0.21 -0.05 0.00 2.56 0.00 0.00 35.95 39.22 2k7o h PHE 14 CO 0.04 -0.39 0.63 1.25 -2.02 0.00 0.00 178.31 177.82 2k7o h HIS 15 N -0.68 1.20 -0.45 0.41 2.76 -1.36 0.12 115.15 117.16 2k7o h HIS 15 Ca -0.07 0.03 -0.14 0.00 -2.20 0.00 0.00 60.37 57.98 2k7o h HIS 15 Cb 0.52 -0.41 -0.01 0.00 1.55 0.00 0.00 27.41 29.07 2k7o h HIS 15 CO -0.04 0.76 -0.29 0.37 -1.30 0.00 0.00 177.93 177.43 2k7o h GLN 16 N 1.29 0.98 -0.12 5.26 4.15 -1.44 0.33 115.11 125.58 2k7o h GLN 16 Ca 0.35 -0.46 -0.20 0.00 0.77 0.00 0.00 58.65 59.11 2k7o h GLN 16 Cb -0.15 -0.01 0.01 0.00 0.21 0.00 0.00 27.48 27.54 2k7o h GLN 16 CO -0.08 1.13 -0.71 1.88 -1.93 0.00 0.00 178.83 179.12 2k7o h TYR 17 N 0.83 0.94 0.00 3.99 -1.99 -1.19 -3.20 116.97 116.35 2k7o h TYR 17 Ca 0.09 -0.43 -0.02 0.00 2.00 0.00 0.00 58.73 60.37 2k7o h TYR 17 Cb 0.88 -0.14 -0.00 0.00 2.00 0.00 0.00 36.73 39.46 2k7o h TYR 17 CO 0.06 1.25 -0.11 1.03 -0.00 0.00 0.00 178.16 180.39 2k7o h SER 18 N 0.37 0.00 -0.35 3.88 0.87 -0.74 -3.18 113.55 114.40 2k7o h SER 18 Ca -0.06 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.50 2k7o h SER 18 Cb 1.35 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.31 2k7o h SER 18 CO 0.15 0.10 0.00 0.61 -0.53 0.00 0.00 176.83 177.16 2k7o n GLY 19 N 1.13 1.65 0.08 5.77 0.00 0.12 -4.19 105.19 109.75 2k7o n GLY 19 Ca 0.04 -0.46 -0.12 0.00 0.00 0.00 0.00 46.02 45.47 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 2.22 0.00 -3.61 1.61 2.43 -1.54 -3.49 114.38 111.99 2k7o h ARG 20 Ca 0.00 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.10 2k7o h ARG 20 Cb 0.95 0.00 -0.13 0.00 -0.42 0.00 0.00 29.97 30.37 2k7o h ARG 20 CO 0.15 0.51 -0.23 -1.21 -1.51 0.00 0.00 179.97 177.68 2k7o s GLU 21 N -2.19 0.96 2.22 0.20 0.41 -1.26 -5.12 118.70 113.91 2k7o s GLU 21 Ca -0.19 -0.84 0.00 0.00 -0.41 0.00 0.00 54.97 53.53 2k7o s GLU 21 Cb 0.03 0.40 0.00 0.00 -1.78 0.00 0.00 34.13 32.78 2k7o s GLU 21 CO 0.39 -0.34 0.00 0.41 -0.49 0.00 0.00 175.26 175.23 2k7o n GLY 22 N -0.14 -1.20 3.77 -1.39 0.00 -1.26 -4.81 105.19 100.15 2k7o n GLY 22 Ca -0.15 -1.25 -0.41 0.00 0.00 0.00 0.00 46.02 44.20 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 -4.00 6.42 0.15 1.61 1.01 -1.26 -4.91 116.67 115.70 2k7o s ASP 23 Ca 0.00 2.95 -0.10 0.00 0.71 0.00 0.00 52.55 56.11 2k7o s ASP 23 Cb 0.00 -2.65 -0.01 0.00 1.01 0.00 0.00 42.92 41.27 2k7o s ASP 23 CO 0.00 -0.84 1.53 0.50 0.21 0.00 0.00 175.17 176.57 2k7o h LYS 24 N 3.82 0.99 0.00 8.23 3.64 -1.88 -3.31 116.57 128.06 2k7o h LYS 24 Ca -0.49 -0.45 -0.04 0.00 -1.27 0.00 0.00 60.65 58.40 2k7o h LYS 24 Cb 1.23 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.02 2k7o h LYS 24 CO 0.70 1.13 -2.01 0.72 -2.27 0.00 0.00 179.45 177.72 2k7o n HIS 25 N -4.09 0.00 -4.10 1.91 8.25 -1.26 -4.07 115.22 111.85 2k7o n HIS 25 Ca -0.01 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.15 2k7o n HIS 25 Cb 0.49 -0.54 -0.07 0.00 1.12 0.00 0.00 29.99 30.99 2k7o n HIS 25 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 2k7o s LYS 26 N -3.36 2.69 -0.22 -0.41 1.02 -1.25 -4.54 119.74 113.68 2k7o s LYS 26 Ca -0.08 -0.77 -0.13 0.00 0.02 0.00 0.00 55.97 55.01 2k7o s LYS 26 Cb 0.13 -2.62 -0.04 0.00 -0.52 0.00 0.00 37.83 34.77 2k7o s LYS 26 CO 0.87 0.56 0.28 -0.51 -0.92 0.00 0.00 175.35 175.63 2k7o s LEU 27 N -2.30 4.14 0.54 3.17 2.01 -1.19 -4.03 118.68 121.02 2k7o s LEU 27 Ca 0.27 0.32 -0.07 0.00 0.01 0.00 0.00 54.13 54.65 2k7o s LEU 27 Cb -0.12 -2.31 -0.04 0.00 0.01 0.00 0.00 46.19 43.73 2k7o s LEU 27 CO 0.19 -0.01 0.88 -0.75 1.01 0.00 0.00 176.35 177.68 2k7o s LYS 28 N 1.19 3.54 0.26 1.70 2.20 -1.26 -2.81 119.74 124.55 2k7o s LYS 28 Ca 0.13 0.40 -0.02 0.00 -0.36 0.00 0.00 55.97 56.12 2k7o s LYS 28 Cb -0.14 -2.26 0.50 0.00 -1.51 0.00 0.00 37.83 34.42 2k7o s LYS 28 CO 0.06 -0.36 1.78 1.57 -0.36 0.00 0.00 175.35 178.05 2k7o h LYS 29 N 0.00 0.70 -0.61 4.03 2.10 -1.98 0.53 116.57 121.34 2k7o h LYS 29 Ca -0.46 -0.04 -0.06 0.00 -2.00 0.00 0.00 60.65 58.09 2k7o h LYS 29 Cb 1.20 -0.16 -0.03 0.00 -0.90 0.00 0.00 32.23 32.35 2k7o h LYS 29 CO 0.62 0.46 0.15 0.66 -2.00 0.00 0.00 179.45 179.34 2k7o h SER 30 N 0.72 0.88 -0.43 7.07 4.64 -1.99 0.13 113.55 124.57 2k7o h SER 30 Ca 0.45 -0.17 -0.14 0.00 -0.47 0.00 0.00 61.79 61.46 2k7o h SER 30 Cb 0.55 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.40 2k7o h SER 30 CO -0.32 0.86 -0.27 -0.33 -0.87 0.00 0.00 176.83 175.90 2k7o h GLU 31 N 0.90 0.97 -0.29 4.77 5.08 -1.15 -1.75 114.58 123.11 2k7o h GLU 31 Ca 0.19 -0.44 -0.06 0.00 -1.00 0.00 0.00 59.36 58.05 2k7o h GLU 31 Cb 0.32 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 2k7o h GLU 31 CO -0.00 1.11 -0.05 1.25 -1.00 0.00 0.00 179.01 180.32 2k7o h LEU 32 N 0.82 0.54 -0.91 1.33 6.46 0.44 -2.45 115.31 121.54 2k7o h LEU 32 Ca 0.09 -0.35 -0.01 0.00 -0.12 0.00 0.00 57.88 57.49 2k7o h LEU 32 Cb 0.85 -0.15 -0.04 0.00 -0.73 0.00 0.00 40.66 40.59 2k7o h LEU 32 CO 0.08 0.76 0.52 0.50 -0.62 0.00 0.00 178.44 179.68 2k7o h LYS 33 N 0.31 1.26 -0.61 1.25 3.64 -0.68 -2.45 116.57 119.29 2k7o h LYS 33 Ca 0.08 -0.13 0.01 0.00 -1.27 0.00 0.00 60.65 59.33 2k7o h LYS 33 Cb 0.51 -0.25 -0.03 0.00 -0.41 0.00 0.00 32.23 32.05 2k7o h LYS 33 CO 0.02 0.90 0.40 1.49 -2.27 0.00 0.00 179.45 180.00 2k7o h GLU 34 N 1.27 0.81 -0.63 1.90 4.81 -1.13 -2.35 114.58 119.26 2k7o h GLU 34 Ca 0.32 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.51 2k7o h GLU 34 Cb -0.00 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.16 2k7o h GLU 34 CO -0.06 0.54 0.42 1.25 -0.73 0.00 0.00 179.01 180.43 2k7o h LEU 35 N 0.83 0.72 -0.09 1.64 5.85 -0.98 -1.88 115.31 121.39 2k7o h LEU 35 Ca 0.22 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.93 2k7o h LEU 35 Cb -0.09 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 40.76 2k7o h LEU 35 CO -0.05 0.52 0.06 0.40 -0.34 0.00 0.00 178.44 179.03 2k7o h ILE 36 N 0.85 1.03 -0.95 4.05 2.04 -1.14 1.73 117.51 125.11 2k7o h ILE 36 Ca 0.23 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 66.05 2k7o h ILE 36 Cb -0.09 0.89 -0.05 0.00 -0.74 0.00 0.00 36.82 36.83 2k7o h ILE 36 CO -0.05 0.02 0.61 -1.13 0.00 0.00 0.00 178.15 177.60 2k7o h ASN 37 N 0.12 1.12 0.54 1.72 -1.24 -1.15 -2.04 115.58 114.64 2k7o h ASN 37 Ca 0.03 -0.04 -0.22 0.00 0.71 0.00 0.00 56.30 56.78 2k7o h ASN 37 Cb -0.01 -0.28 -0.04 0.00 0.73 0.00 0.00 38.32 38.72 2k7o h ASN 37 CO -0.01 0.83 -1.63 -0.46 -1.29 0.00 0.00 177.43 174.87 2k7o n ASN 38 N -4.39 0.75 0.00 1.15 2.04 -0.73 -4.71 115.26 109.37 2k7o n ASN 38 Ca 0.11 0.34 0.00 0.00 -0.44 0.00 0.00 54.58 54.59 2k7o n ASN 38 Cb 0.03 0.22 0.00 0.00 -2.53 0.00 0.00 39.78 37.50 2k7o n ASN 38 CO 0.00 0.00 0.00 1.21 -0.44 0.00 0.00 177.26 178.03 2k7o n GLU 39 N -2.91 0.00 -2.79 -3.83 4.07 0.59 -4.91 120.64 110.86 2k7o n GLU 39 Ca -0.14 0.08 -0.41 0.00 -0.06 0.00 0.00 57.16 56.63 2k7o n GLU 39 Cb 0.93 -0.41 -0.03 0.00 -0.06 0.00 0.00 31.44 31.87 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 -2.82 4.36 0.16 4.31 1.02 -0.78 -4.91 118.68 120.03 2k7o s LEU 40 Ca 0.00 1.55 0.00 0.00 0.02 0.00 0.00 54.13 55.70 2k7o s LEU 40 Cb 0.00 -3.45 0.00 0.00 0.02 0.00 0.00 46.19 42.76 2k7o s LEU 40 CO 0.00 -0.21 0.00 -1.54 0.02 0.00 0.00 176.35 174.62 2k7o n SER 41 N 3.81 0.39 -0.21 2.29 3.41 -1.26 -4.31 113.62 117.73 2k7o n SER 41 Ca 0.04 0.26 0.15 0.00 -0.26 0.00 0.00 58.87 59.05 2k7o n SER 41 Cb 0.51 0.03 0.66 0.00 -0.26 0.00 0.00 64.21 65.15 2k7o n SER 41 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2k7o n HIS 42 N -3.36 0.00 1.07 7.33 -0.00 -1.26 -3.39 115.22 115.61 2k7o n HIS 42 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 57.72 57.84 2k7o n HIS 42 Cb 0.05 -0.07 0.13 0.00 -0.00 0.00 0.00 29.99 30.10 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 -0.58 0.00 -3.90 -1.40 3.72 -1.26 -4.92 117.46 109.12 2k7o n PHE 43 Ca 0.18 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.48 2k7o n PHE 43 Cb 0.26 -0.01 -0.10 0.00 -0.94 0.00 0.00 39.48 38.69 2k7o n PHE 43 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2k7o s LEU 44 N -2.16 1.76 0.00 4.37 1.43 -1.22 -5.11 118.68 117.75 2k7o s LEU 44 Ca 0.26 -0.30 0.00 0.00 -1.03 0.00 0.00 54.13 53.06 2k7o s LEU 44 Cb 0.20 0.51 0.00 0.00 0.03 0.00 0.00 46.19 46.92 2k7o s LEU 44 CO 0.39 -0.35 0.18 -0.62 0.23 0.00 0.00 176.35 176.18 2k7o n GLU 45 N 1.48 0.00 -3.64 1.70 1.02 -1.26 -4.81 120.64 115.12 2k7o n GLU 45 Ca -0.23 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 56.86 2k7o n GLU 45 Cb 0.55 -0.66 -0.07 0.00 -0.02 0.00 0.00 31.44 31.24 2k7o n GLU 45 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 2k7o s GLU 46 N -0.36 0.34 -0.50 3.49 2.12 -1.26 -5.04 118.70 117.50 2k7o s GLU 46 Ca 0.00 0.47 -0.27 0.00 0.36 0.00 0.00 54.97 55.53 2k7o s GLU 46 Cb 0.00 0.13 0.03 0.00 0.26 0.00 0.00 34.13 34.55 2k7o s GLU 46 CO 0.00 -0.05 1.03 0.42 -0.54 0.00 0.00 175.26 176.12 2k7o s ILE 47 N 0.62 4.31 0.00 -3.70 -1.09 -1.26 -4.91 121.20 115.17 2k7o s ILE 47 Ca -0.01 0.85 0.00 0.00 -2.23 0.00 0.00 60.65 59.26 2k7o s ILE 47 Cb -0.04 -4.54 0.00 0.00 -1.58 0.00 0.00 42.46 36.29 2k7o s ILE 47 CO -0.11 -1.00 0.00 1.17 -1.23 0.00 0.00 174.94 173.77 2k7o n LYS 48 N 7.60 0.00 -3.49 2.79 4.81 -1.26 -4.95 118.16 123.66 2k7o n LYS 48 Ca 0.08 0.14 -0.35 0.00 -0.87 0.00 0.00 58.31 57.30 2k7o n LYS 48 Cb 0.49 -0.52 -0.06 0.00 0.02 0.00 0.00 35.03 34.96 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 -0.53 3.86 0.37 1.64 2.02 -1.26 -4.97 118.70 119.83 2k7o s GLU 49 Ca 0.00 0.32 0.15 0.00 0.02 0.00 0.00 54.97 55.46 2k7o s GLU 49 Cb 0.00 -3.01 0.74 0.00 0.10 0.00 0.00 34.13 31.96 2k7o s GLU 49 CO 0.00 0.55 1.81 1.96 0.02 0.00 0.00 175.26 179.60 2k7o h GLN 50 N 3.82 0.00 -0.57 1.61 4.20 -2.01 -2.55 115.11 119.60 2k7o h GLN 50 Ca -0.49 0.00 0.16 0.00 0.06 0.00 0.00 58.65 58.38 2k7o h GLN 50 Cb 1.20 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.95 2k7o h GLN 50 CO 0.65 0.38 0.41 0.93 -0.67 0.00 0.00 178.83 180.54 2k7o h GLU 51 N 0.00 0.01 -0.20 1.46 5.08 -2.00 0.69 114.58 119.62 2k7o h GLU 51 Ca -0.00 -0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.22 2k7o h GLU 51 Cb 0.73 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 2k7o h GLU 51 CO 0.05 0.01 -0.45 0.28 -1.00 0.00 0.00 179.01 177.90 2k7o h VAL 52 N 0.01 1.31 -0.44 3.13 2.07 -1.87 -2.65 116.25 117.82 2k7o h VAL 52 Ca 0.27 -1.64 -0.12 0.00 0.82 0.00 0.00 66.70 66.04 2k7o h VAL 52 Cb 1.08 1.65 -0.01 0.00 -1.52 0.00 0.00 31.29 32.49 2k7o h VAL 52 CO -0.01 0.51 -0.19 0.58 0.02 0.00 0.00 177.57 178.48 2k7o h VAL 53 N 0.40 1.27 -1.01 2.57 2.07 0.25 -2.72 116.25 119.08 2k7o h VAL 53 Ca 0.03 -1.34 0.01 0.00 0.82 0.00 0.00 66.70 66.22 2k7o h VAL 53 Cb 0.94 1.20 -0.05 0.00 -1.52 0.00 0.00 31.29 31.86 2k7o h VAL 53 CO 0.08 0.45 0.67 -0.78 0.02 0.00 0.00 177.57 178.02 2k7o h ASP 54 N 0.74 1.16 -0.33 0.57 1.82 -1.04 0.24 116.42 119.57 2k7o h ASP 54 Ca 0.10 -0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.71 2k7o h ASP 54 Cb 0.75 -0.29 -0.02 0.00 0.68 0.00 0.00 39.33 40.46 2k7o h ASP 54 CO 0.06 0.84 0.22 0.50 -1.61 0.00 0.00 179.24 179.25 2k7o h LYS 55 N 1.37 0.44 -0.78 0.28 3.64 -1.28 0.91 116.57 121.15 2k7o h LYS 55 Ca 0.37 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.68 2k7o h LYS 55 Cb -0.16 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.53 2k7o h LYS 55 CO -0.08 0.30 0.33 0.28 -2.27 0.00 0.00 179.45 178.01 2k7o h VAL 56 N 0.45 1.25 -0.49 2.00 2.07 -1.06 -2.06 116.25 118.41 2k7o h VAL 56 Ca 0.12 -0.77 -0.08 0.00 0.82 0.00 0.00 66.70 66.79 2k7o h VAL 56 Cb -0.05 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.02 2k7o h VAL 56 CO -0.03 0.32 -0.01 0.24 0.02 0.00 0.00 177.57 178.11 2k7o h MET 57 N 1.11 0.87 -0.36 1.57 2.86 -0.40 0.25 114.93 120.84 2k7o h MET 57 Ca 0.26 -0.28 -0.00 0.00 -2.06 0.00 0.00 59.70 57.62 2k7o h MET 57 Cb 0.18 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.75 2k7o h MET 57 CO -0.03 0.92 0.22 1.49 1.06 0.00 0.00 176.91 180.57 2k7o h GLU 58 N 0.73 0.48 -0.41 1.72 4.81 -0.57 1.03 114.58 122.38 2k7o h GLU 58 Ca 0.14 -0.04 -0.15 0.00 -0.13 0.00 0.00 59.36 59.17 2k7o h GLU 58 Cb 0.53 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 2k7o h GLU 58 CO 0.03 0.35 -0.34 1.15 -0.73 0.00 0.00 179.01 179.47 2k7o h THR 59 N 0.47 1.27 -0.31 0.32 2.02 -1.25 -3.15 112.91 112.28 2k7o h THR 59 Ca 0.13 -1.52 -0.16 0.00 0.77 0.00 0.00 66.41 65.63 2k7o h THR 59 Cb -0.01 1.31 -0.00 0.00 -1.74 0.00 0.00 68.15 67.71 2k7o h THR 59 CO -0.02 0.51 -0.44 0.25 0.37 0.00 0.00 175.52 176.19 2k7o h LEU 60 N 0.80 0.92 -8.72 2.58 5.85 -0.13 -3.41 115.31 113.20 2k7o h LEU 60 Ca 0.07 -0.50 -0.54 0.00 0.84 0.00 0.00 57.88 57.75 2k7o h LEU 60 Cb 0.94 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.68 2k7o h LEU 60 CO 0.09 1.24 1.35 -0.62 -0.34 0.00 0.00 178.44 180.16 2k7o s ASP 61 N -6.81 5.51 0.15 1.25 -1.08 0.35 -4.84 116.67 111.20 2k7o s ASP 61 Ca -0.11 1.00 -0.11 0.00 -0.52 0.00 0.00 52.55 52.81 2k7o s ASP 61 Cb 0.10 -2.52 -0.02 0.00 -1.46 0.00 0.00 42.92 39.01 2k7o s ASP 61 CO 0.87 -2.07 1.51 -0.33 0.52 0.00 0.00 175.17 175.67 2k7o h GLU 62 N 14.40 0.97 0.00 4.34 4.39 -1.83 -3.10 114.58 133.75 2k7o h GLU 62 Ca -0.30 -0.47 0.00 0.00 0.34 0.00 0.00 59.36 58.93 2k7o h GLU 62 Cb 1.18 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.83 2k7o h GLU 62 CO 1.10 1.13 -0.55 -0.40 -1.16 0.00 0.00 179.01 179.13 2k7o n ASP 63 N -4.09 0.54 -1.15 1.42 5.75 -1.26 -4.94 116.55 112.82 2k7o n ASP 63 Ca -0.01 -0.20 -0.10 0.00 -0.01 0.00 0.00 54.79 54.47 2k7o n ASP 63 Cb 0.51 0.28 -0.01 0.00 -1.03 0.00 0.00 41.12 40.87 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 0.00 0.00 6.12 0.00 -1.17 -4.87 105.19 106.73 2k7o n GLY 64 Ca 0.05 -0.46 0.13 0.00 0.00 0.00 0.00 46.02 45.73 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 0.06 0.00 0.00 1.61 5.75 -1.26 -4.84 116.55 117.87 2k7o n ASP 65 Ca -0.12 -0.59 0.00 0.00 -0.01 0.00 0.00 54.79 54.07 2k7o n ASP 65 Cb 0.58 -0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.59 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 0.68 0.82 3.11 6.12 0.00 -1.26 -5.00 105.19 109.67 2k7o n GLY 66 Ca 0.17 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.11 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 0.67 -0.49 1.61 2.02 -1.26 -4.73 118.70 116.49 2k7o s GLU 67 Ca 0.00 -1.22 -0.17 0.00 0.02 0.00 0.00 54.97 53.60 2k7o s GLU 67 Cb 0.00 0.07 0.07 0.00 0.10 0.00 0.00 34.13 34.37 2k7o s GLU 67 CO 0.00 -0.08 0.48 0.00 0.02 0.00 0.00 175.26 175.69 2k7o s ASP 69 N 2.71 1.98 0.13 0.00 1.01 -1.26 -3.13 116.67 118.11 2k7o s ASP 69 Ca 0.08 1.26 -0.18 0.00 0.71 0.00 0.00 52.55 54.42 2k7o s ASP 69 Cb -0.23 -1.97 -0.04 0.00 1.01 0.00 0.00 42.92 41.69 2k7o s ASP 69 CO 0.08 -3.54 1.79 0.15 0.21 0.00 0.00 175.17 173.86 2k7o h PHE 70 N -2.17 0.35 0.46 4.23 3.04 -1.97 0.80 116.94 121.68 2k7o h PHE 70 Ca -0.57 0.01 -0.02 0.00 3.98 0.00 0.00 57.97 61.37 2k7o h PHE 70 Cb 1.34 -0.12 -0.00 0.00 2.56 0.00 0.00 35.95 39.73 2k7o h PHE 70 CO 0.27 0.22 -0.26 1.96 -2.02 0.00 0.00 178.31 178.47 2k7o h GLN 71 N 0.38 -0.66 -0.57 1.11 7.50 -1.98 -1.22 115.11 119.67 2k7o h GLN 71 Ca 0.10 0.04 0.01 0.00 0.50 0.00 0.00 58.65 59.30 2k7o h GLN 71 Cb -0.04 0.15 -0.03 0.00 0.05 0.00 0.00 27.48 27.61 2k7o h GLN 71 CO -0.02 -0.44 0.38 0.93 -1.50 0.00 0.00 178.83 178.17 2k7o h GLU 72 N -0.68 0.75 -1.03 1.46 5.08 -1.88 -1.34 114.58 116.93 2k7o h GLU 72 Ca -0.06 -0.04 0.26 0.00 -1.00 0.00 0.00 59.36 58.52 2k7o h GLU 72 Cb 0.55 -0.17 -0.11 0.00 0.50 0.00 0.00 28.75 29.52 2k7o h GLU 72 CO 0.07 0.49 0.64 0.35 -1.00 0.00 0.00 179.01 179.56 2k7o h PHE 73 N 0.77 0.84 0.00 4.33 3.57 0.11 1.60 116.94 128.16 2k7o h PHE 73 Ca 0.21 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.65 2k7o h PHE 73 Cb -0.09 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 38.40 2k7o h PHE 73 CO -0.04 0.05 -0.40 1.98 -2.23 0.00 0.00 178.31 177.67 2k7o h MET 74 N 0.47 0.00 0.40 1.11 4.05 -0.06 -2.56 114.93 118.34 2k7o h MET 74 Ca 0.63 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 60.03 2k7o h MET 74 Cb 1.41 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.22 2k7o h MET 74 CO -0.40 0.40 -0.19 0.00 0.23 0.00 0.00 176.91 176.95 2k7o h ALA 75 N 1.60 -0.54 -1.00 0.39 0.00 0.26 0.00 119.26 119.97 2k7o h ALA 75 Ca -0.00 -0.18 0.16 0.00 0.00 0.00 0.00 54.91 54.89 2k7o h ALA 75 Cb 0.74 0.21 -0.10 0.00 0.00 0.00 0.00 17.79 18.64 2k7o h ALA 75 CO 0.05 -0.68 0.62 0.35 0.00 0.00 0.00 179.25 179.59 2k7o h PHE 76 N -0.79 1.10 -0.48 0.00 3.57 -1.29 0.80 116.94 119.87 2k7o h PHE 76 Ca -0.06 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.48 2k7o h PHE 76 Cb 0.53 -0.34 -0.02 0.00 2.79 0.00 0.00 35.95 38.91 2k7o h PHE 76 CO 0.00 0.33 0.29 0.28 -2.23 0.00 0.00 178.31 176.98 2k7o h VAL 77 N 0.86 1.14 -0.32 1.41 2.07 -1.16 -2.44 116.25 117.82 2k7o h VAL 77 Ca 0.54 -0.31 -0.06 0.00 0.82 0.00 0.00 66.70 67.69 2k7o h VAL 77 Cb 0.72 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 2k7o h VAL 77 CO -0.33 0.14 -0.02 0.77 0.02 0.00 0.00 177.57 178.15 2k7o h SER 78 N 0.64 0.58 -0.85 0.57 4.64 0.19 -2.96 113.55 116.35 2k7o h SER 78 Ca 0.17 -0.33 0.18 0.00 -0.47 0.00 0.00 61.79 61.34 2k7o h SER 78 Cb -0.02 -0.16 -0.11 0.00 -0.31 0.00 0.00 62.40 61.81 2k7o h SER 78 CO -0.03 0.76 0.39 0.24 -0.87 0.00 0.00 176.83 177.32 2k7o h MET 79 N 0.38 0.48 -0.04 4.77 2.07 0.67 2.04 114.93 125.29 2k7o h MET 79 Ca 0.09 -0.03 -0.01 0.00 -2.07 0.00 0.00 59.70 57.68 2k7o h MET 79 Cb 0.48 -0.11 -0.00 0.00 -1.87 0.00 0.00 31.60 30.10 2k7o h MET 79 CO 0.02 0.32 -0.03 0.28 1.07 0.00 0.00 176.91 178.57 2k7o h VAL 80 N 0.49 1.05 0.02 -2.22 2.07 -1.28 2.26 116.25 118.63 2k7o h VAL 80 Ca 0.49 -0.22 -0.10 0.00 0.82 0.00 0.00 66.70 67.70 2k7o h VAL 80 Cb 0.81 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 2k7o h VAL 80 CO -0.44 0.07 -0.50 0.74 0.02 0.00 0.00 177.57 177.45 2k7o h THR 81 N 0.06 1.48 0.00 2.57 2.02 0.17 -3.20 112.91 116.01 2k7o h THR 81 Ca 0.01 -2.32 0.00 0.00 0.77 0.00 0.00 66.41 64.88 2k7o h THR 81 Cb 0.10 3.01 0.00 0.00 -1.74 0.00 0.00 68.15 69.52 2k7o h THR 81 CO 0.00 0.54 0.00 0.74 0.37 0.00 0.00 175.52 177.17 2k7o h THR 82 N -0.91 0.00 0.00 3.16 2.02 0.30 -3.34 112.91 114.14 2k7o h THR 82 Ca -0.13 -0.60 0.00 0.00 0.77 0.00 0.00 66.41 66.45 2k7o h THR 82 Cb 1.18 1.60 0.00 0.00 -1.74 0.00 0.00 68.15 69.19 2k7o h THR 82 CO -0.04 0.00 -0.00 0.00 0.37 0.00 0.00 175.52 175.85 2k7o h ALA 83 N 2.00 0.00 -2.95 6.16 0.00 0.36 -3.45 119.26 121.39 2k7o h ALA 83 Ca 0.00 -0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.37 2k7o h ALA 83 Cb 0.60 0.00 0.11 0.00 0.00 0.00 0.00 17.79 18.50 2k7o h ALA 83 CO 0.00 0.00 0.79 0.00 0.00 0.00 0.00 179.25 180.04 2k7o n HIS 85 N 0.47 -2.44 -1.88 0.00 -0.00 -1.26 -4.78 115.22 105.33 2k7o n HIS 85 Ca 0.01 -0.25 -0.42 0.00 0.46 0.00 0.00 57.72 57.52 2k7o n HIS 85 Cb 0.39 -1.45 -0.03 0.00 -0.12 0.00 0.00 29.99 28.78 2k7o n HIS 85 CO 0.00 0.00 0.00 -1.21 0.46 0.00 0.00 176.34 175.59 2k7o s GLU 86 N -4.08 4.18 -0.59 1.57 2.02 -1.26 -4.93 118.70 115.61 2k7o s GLU 86 Ca 0.55 2.38 -0.19 0.00 0.02 0.00 0.00 54.97 57.72 2k7o s GLU 86 Cb -0.12 -3.66 0.10 0.00 0.10 0.00 0.00 34.13 30.55 2k7o s GLU 86 CO 0.52 -0.77 0.74 -0.06 0.02 0.00 0.00 175.26 175.71 2k7o s PHE 87 N 2.86 2.95 0.81 1.61 0.40 -1.26 -5.04 117.98 120.31 2k7o s PHE 87 Ca 0.76 -0.87 -0.11 0.00 -0.60 0.00 0.00 56.93 56.11 2k7o s PHE 87 Cb -0.40 -4.02 0.08 0.00 0.51 0.00 0.00 43.02 39.19 2k7o s PHE 87 CO 0.33 -1.33 1.09 -0.06 0.70 0.00 0.00 175.22 175.96 2k7o s PHE 88 N 2.88 2.51 0.28 0.36 0.08 -1.26 -4.92 117.98 117.90 2k7o s PHE 88 Ca 0.13 1.44 -0.30 0.00 0.12 0.00 0.00 56.93 58.32 2k7o s PHE 88 Cb -0.23 -3.08 -0.12 0.00 -0.57 0.00 0.00 43.02 39.02 2k7o s PHE 88 CO 0.07 -1.99 1.63 -0.85 -0.10 0.00 0.00 175.22 173.99 2k7o n GLU 89 N -3.63 2.75 -3.79 0.44 0.00 -1.26 -4.99 120.64 110.15 2k7o n GLU 89 Ca 0.08 0.98 -0.13 0.00 0.00 0.00 0.00 57.16 58.10 2k7o n GLU 89 Cb 0.54 -2.78 -0.09 0.00 0.00 0.00 0.00 31.44 29.11 2k7o n GLU 89 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.13 176.12 2k7o s HIS 90 N 0.24 -0.12 0.00 -1.84 3.76 -1.26 -5.33 115.29 110.74 2k7o s HIS 90 Ca 0.66 0.15 0.00 0.00 -0.15 0.00 0.00 55.06 55.72 2k7o s HIS 90 Cb -0.49 0.06 0.00 0.00 1.11 0.00 0.00 32.58 33.25 2k7o s HIS 90 CO 0.45 -0.36 0.00 -1.91 -0.85 0.00 0.00 174.74 172.07