#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 1.02 -0.21 -1.46 4.22 -2.06 -1.81 114.58 114.27 2k7o h GLU 2 Ca 0.00 -0.06 -0.14 0.00 0.08 0.00 0.00 59.36 59.24 2k7o h GLU 2 Cb 0.00 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.01 2k7o h GLU 2 CO 0.00 0.67 -0.45 1.25 -2.18 0.00 0.00 179.01 178.30 2k7o h LEU 3 N 1.05 0.58 -0.59 1.64 5.85 -2.06 -2.90 115.31 118.88 2k7o h LEU 3 Ca 0.28 -0.27 -0.10 0.00 0.84 0.00 0.00 57.88 58.63 2k7o h LEU 3 Cb -0.12 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 40.72 2k7o h LEU 3 CO -0.06 0.95 -0.02 -0.08 -0.34 0.00 0.00 178.44 178.89 2k7o h GLU 4 N 0.44 1.05 -0.82 1.25 4.57 -1.81 -2.66 114.58 116.60 2k7o h GLU 4 Ca 0.03 -0.35 -0.04 0.00 -1.18 0.00 0.00 59.36 57.83 2k7o h GLU 4 Cb 0.96 -0.09 -0.04 0.00 -0.16 0.00 0.00 28.75 29.42 2k7o h GLU 4 CO 0.09 1.04 0.36 0.87 -1.18 0.00 0.00 179.01 180.19 2k7o h LYS 5 N 0.95 1.21 -0.31 1.92 1.57 -1.28 -1.67 116.57 118.96 2k7o h LYS 5 Ca 0.16 -0.20 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2k7o h LYS 5 Cb 0.58 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 2k7o h LYS 5 CO 0.03 0.95 0.17 0.00 -0.57 0.00 0.00 179.45 180.04 2k7o h ALA 6 N 1.20 0.39 -0.03 3.86 0.00 -1.31 -0.06 119.26 123.30 2k7o h ALA 6 Ca 0.28 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2k7o h ALA 6 Cb 0.17 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 2k7o h ALA 6 CO -0.03 -0.09 0.02 1.98 0.00 0.00 0.00 179.25 181.13 2k7o h MET 7 N 0.38 0.04 -0.49 0.00 1.85 -1.21 -2.22 114.93 113.28 2k7o h MET 7 Ca 0.11 -0.00 0.02 0.00 -0.61 0.00 0.00 59.70 59.22 2k7o h MET 7 Cb 0.04 -0.01 -0.03 0.00 0.43 0.00 0.00 31.60 32.04 2k7o h MET 7 CO -0.02 0.03 0.32 0.28 -0.40 0.00 0.00 176.91 177.12 2k7o h VAL 8 N 0.04 1.07 -1.00 -5.77 2.07 -1.08 -1.86 116.25 109.73 2k7o h VAL 8 Ca 0.01 -0.20 0.02 0.00 0.82 0.00 0.00 66.70 67.35 2k7o h VAL 8 Cb -0.01 0.44 -0.05 0.00 -1.52 0.00 0.00 31.29 30.15 2k7o h VAL 8 CO -0.00 0.11 0.66 0.00 0.02 0.00 0.00 177.57 178.35 2k7o h ALA 9 N 1.71 1.28 -0.38 1.67 0.00 -0.38 -2.37 119.26 120.79 2k7o h ALA 9 Ca 0.19 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 2k7o h ALA 9 Cb 0.05 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 2k7o h ALA 9 CO -0.05 0.63 0.21 -0.07 0.00 0.00 0.00 179.25 179.97 2k7o h LEU 10 N 1.33 0.47 0.00 0.00 4.07 -1.19 0.90 115.31 120.89 2k7o h LEU 10 Ca 0.37 -0.09 -0.00 0.00 0.08 0.00 0.00 57.88 58.25 2k7o h LEU 10 Cb -0.12 -0.12 0.00 0.00 1.08 0.00 0.00 40.66 41.50 2k7o h LEU 10 CO -0.09 0.43 -0.00 0.40 -1.08 0.00 0.00 178.44 178.09 2k7o h ILE 11 N 0.49 1.00 -1.00 1.22 2.04 -1.43 1.54 117.51 121.36 2k7o h ILE 11 Ca 0.13 -0.01 0.01 0.00 1.00 0.00 0.00 64.86 66.00 2k7o h ILE 11 Cb 0.06 1.01 -0.05 0.00 -0.74 0.00 0.00 36.82 37.09 2k7o h ILE 11 CO -0.02 0.00 0.66 0.44 0.00 0.00 0.00 178.15 179.23 2k7o h ASP 12 N -0.01 1.15 -0.31 1.72 3.32 -1.29 0.24 116.42 121.24 2k7o h ASP 12 Ca -0.00 -0.03 -0.16 0.00 0.02 0.00 0.00 57.03 56.86 2k7o h ASP 12 Cb 0.01 -0.29 -0.00 0.00 0.22 0.00 0.00 39.33 39.27 2k7o h ASP 12 CO 0.00 0.83 -0.42 0.58 -1.72 0.00 0.00 179.24 178.51 2k7o h VAL 13 N 1.35 1.29 0.52 -1.35 2.07 -0.11 -2.22 116.25 117.79 2k7o h VAL 13 Ca 0.37 -1.60 -0.03 0.00 0.82 0.00 0.00 66.70 66.26 2k7o h VAL 13 Cb -0.16 1.57 0.01 0.00 -1.52 0.00 0.00 31.29 31.19 2k7o h VAL 13 CO -0.08 0.52 -0.25 0.15 0.02 0.00 0.00 177.57 177.93 2k7o h PHE 14 N 0.60 -0.64 -0.88 1.57 3.57 0.29 -0.18 116.94 121.28 2k7o h PHE 14 Ca 0.04 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.53 2k7o h PHE 14 Cb 1.01 0.21 -0.04 0.00 2.79 0.00 0.00 35.95 39.92 2k7o h PHE 14 CO 0.07 -0.32 0.58 1.25 -2.23 0.00 0.00 178.31 177.66 2k7o h HIS 15 N -1.01 1.09 -0.37 0.41 2.76 -0.64 1.63 115.15 119.03 2k7o h HIS 15 Ca -0.07 0.03 -0.16 0.00 -2.20 0.00 0.00 60.37 57.96 2k7o h HIS 15 Cb 0.61 -0.37 -0.00 0.00 1.55 0.00 0.00 27.41 29.20 2k7o h HIS 15 CO 0.01 0.68 -0.41 0.37 -1.30 0.00 0.00 177.93 177.28 2k7o h GLN 16 N 1.17 0.94 -0.05 5.26 4.15 -1.44 0.31 115.11 125.44 2k7o h GLN 16 Ca 0.33 -0.51 -0.07 0.00 0.77 0.00 0.00 58.65 59.16 2k7o h GLN 16 Cb -0.11 0.03 0.00 0.00 0.21 0.00 0.00 27.48 27.60 2k7o h GLN 16 CO -0.08 1.16 -0.26 -0.92 -1.93 0.00 0.00 178.83 176.81 2k7o h TYR 17 N 0.76 0.36 0.00 3.99 3.20 -0.42 -3.15 116.97 121.71 2k7o h TYR 17 Ca 0.05 -0.16 -0.01 0.00 3.14 0.00 0.00 58.73 61.75 2k7o h TYR 17 Cb 1.01 -0.06 -0.00 0.00 1.54 0.00 0.00 36.73 39.22 2k7o h TYR 17 CO 0.06 0.88 -0.05 1.03 -1.64 0.00 0.00 178.16 178.44 2k7o h SER 18 N -0.26 0.00 -0.32 -2.11 0.87 0.24 -2.25 113.55 109.72 2k7o h SER 18 Ca -0.02 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.52 2k7o h SER 18 Cb 0.91 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.86 2k7o h SER 18 CO 0.05 0.05 0.02 0.61 -0.53 0.00 0.00 176.83 177.04 2k7o n GLY 19 N 0.00 2.37 0.09 5.77 0.00 0.09 -3.97 105.19 109.55 2k7o n GLY 19 Ca 0.00 -0.50 -0.18 0.00 0.00 0.00 0.00 46.02 45.35 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 2.03 0.11 -3.59 1.61 2.43 -1.41 -3.48 114.38 112.08 2k7o h ARG 20 Ca 0.02 -0.19 -0.17 0.00 -0.81 0.00 0.00 59.98 58.84 2k7o h ARG 20 Cb 1.35 0.07 -0.23 0.00 -0.42 0.00 0.00 29.97 30.74 2k7o h ARG 20 CO 0.29 1.09 -0.57 -2.00 -1.51 0.00 0.00 179.97 177.27 2k7o s GLU 21 N -2.33 0.32 6.78 0.20 2.12 -1.26 -5.06 118.70 119.48 2k7o s GLU 21 Ca -0.19 -0.24 0.00 0.00 0.36 0.00 0.00 54.97 54.90 2k7o s GLU 21 Cb 0.00 0.13 0.00 0.00 0.26 0.00 0.00 34.13 34.52 2k7o s GLU 21 CO 0.72 -0.07 0.00 0.41 -0.54 0.00 0.00 175.26 175.79 2k7o n GLY 22 N 2.06 1.93 2.97 -1.50 0.00 -1.26 -4.83 105.19 104.56 2k7o n GLY 22 Ca -0.19 -0.58 -0.11 0.00 0.00 0.00 0.00 46.02 45.14 2k7o n GLY 22 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2k7o s ASP 23 N -4.00 0.34 0.42 1.61 -1.08 -1.26 -5.06 116.67 107.64 2k7o s ASP 23 Ca 0.00 -0.40 -0.24 0.00 -0.52 0.00 0.00 52.55 51.39 2k7o s ASP 23 Cb 0.00 0.06 -0.08 0.00 -1.46 0.00 0.00 42.92 41.44 2k7o s ASP 23 CO 0.00 -0.21 1.17 -1.59 0.52 0.00 0.00 175.17 175.07 2k7o s LYS 24 N -1.15 3.94 0.00 4.34 -2.85 -1.25 -2.85 119.74 119.93 2k7o s LYS 24 Ca -0.11 1.83 0.00 0.00 -1.00 0.00 0.00 55.97 56.69 2k7o s LYS 24 Cb -0.08 -2.58 0.00 0.00 -2.06 0.00 0.00 37.83 33.11 2k7o s LYS 24 CO -0.01 -0.41 0.00 1.58 0.10 0.00 0.00 175.35 176.62 2k7o n HIS 25 N -0.13 0.00 -3.41 1.78 -0.00 -1.26 -5.00 115.22 107.21 2k7o n HIS 25 Ca 0.05 0.00 -0.15 0.00 -0.00 0.00 0.00 57.72 57.62 2k7o n HIS 25 Cb 0.47 -0.16 -0.10 0.00 -0.00 0.00 0.00 29.99 30.20 2k7o n HIS 25 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 2k7o s LYS 26 N -0.71 0.30 -0.19 1.57 1.02 -1.13 -4.39 119.74 116.21 2k7o s LYS 26 Ca 0.00 0.11 -0.09 0.00 0.02 0.00 0.00 55.97 56.01 2k7o s LYS 26 Cb 0.00 -0.73 -0.05 0.00 -0.52 0.00 0.00 37.83 36.53 2k7o s LYS 26 CO 0.00 -0.85 0.10 -0.51 -0.92 0.00 0.00 175.35 173.17 2k7o s LEU 27 N 2.41 4.06 0.46 3.17 1.43 -1.20 -4.46 118.68 124.54 2k7o s LEU 27 Ca 0.09 0.17 -0.02 0.00 -1.03 0.00 0.00 54.13 53.35 2k7o s LEU 27 Cb -0.15 -2.04 -0.01 0.00 0.03 0.00 0.00 46.19 44.02 2k7o s LEU 27 CO -0.24 0.18 0.71 -0.54 0.23 0.00 0.00 176.35 176.69 2k7o s LYS 28 N 0.35 3.19 0.25 1.70 -0.14 -1.26 -2.12 119.74 121.71 2k7o s LYS 28 Ca 0.06 -0.26 -0.06 0.00 -1.36 0.00 0.00 55.97 54.35 2k7o s LYS 28 Cb -0.12 -2.50 0.28 0.00 -1.68 0.00 0.00 37.83 33.81 2k7o s LYS 28 CO -0.01 -0.26 1.93 1.57 -0.76 0.00 0.00 175.35 177.81 2k7o h LYS 29 N 0.33 1.31 -0.87 1.68 2.10 -1.98 0.23 116.57 119.36 2k7o h LYS 29 Ca -0.47 -0.08 -0.03 0.00 -2.00 0.00 0.00 60.65 58.08 2k7o h LYS 29 Cb 1.24 -0.30 -0.04 0.00 -0.90 0.00 0.00 32.23 32.23 2k7o h LYS 29 CO 0.59 0.87 0.44 1.03 -2.00 0.00 0.00 179.45 180.38 2k7o h SER 30 N 1.35 1.12 0.43 7.07 0.87 -1.99 -0.09 113.55 122.32 2k7o h SER 30 Ca 0.37 -0.12 -0.11 0.00 -1.23 0.00 0.00 61.79 60.70 2k7o h SER 30 Cb -0.13 -0.29 -0.01 0.00 -0.44 0.00 0.00 62.40 61.53 2k7o h SER 30 CO -0.09 0.93 -0.49 -0.33 -0.53 0.00 0.00 176.83 176.32 2k7o h GLU 31 N 1.24 0.07 -0.46 2.24 5.08 -1.61 -2.72 114.58 118.41 2k7o h GLU 31 Ca 0.30 -0.04 -0.14 0.00 -1.00 0.00 0.00 59.36 58.48 2k7o h GLU 31 Cb 0.08 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 2k7o h GLU 31 CO -0.04 0.55 -0.26 1.25 -1.00 0.00 0.00 179.01 179.50 2k7o h LEU 32 N 0.06 1.03 -0.72 1.33 5.85 0.48 -3.01 115.31 120.33 2k7o h LEU 32 Ca -0.00 -0.41 -0.02 0.00 0.84 0.00 0.00 57.88 58.29 2k7o h LEU 32 Cb 0.89 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.60 2k7o h LEU 32 CO 0.07 1.22 0.38 0.50 -0.34 0.00 0.00 178.44 180.26 2k7o h LYS 33 N 0.84 1.02 -0.56 1.25 3.64 -0.76 -2.63 116.57 119.37 2k7o h LYS 33 Ca 0.10 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2k7o h LYS 33 Cb 0.85 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 32.45 2k7o h LYS 33 CO 0.08 0.77 0.35 0.93 -2.27 0.00 0.00 179.45 179.31 2k7o h GLU 34 N 1.00 0.74 -0.24 1.90 3.07 -1.40 -2.09 114.58 117.56 2k7o h GLU 34 Ca 0.25 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 59.06 2k7o h GLU 34 Cb 0.07 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 27.80 2k7o h GLU 34 CO -0.04 0.52 0.15 1.25 -1.40 0.00 0.00 179.01 179.49 2k7o h LEU 35 N 0.75 0.26 -0.30 1.33 6.46 -1.37 -0.91 115.31 121.54 2k7o h LEU 35 Ca 0.20 -0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.96 2k7o h LEU 35 Cb -0.05 -0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 39.80 2k7o h LEU 35 CO -0.04 0.19 0.20 0.40 -0.62 0.00 0.00 178.44 178.57 2k7o h ILE 36 N 0.32 1.08 0.00 4.05 2.04 -1.24 -2.36 117.51 121.40 2k7o h ILE 36 Ca 0.09 -0.16 -0.02 0.00 1.00 0.00 0.00 64.86 65.77 2k7o h ILE 36 Cb -0.03 0.65 -0.00 0.00 -0.74 0.00 0.00 36.82 36.70 2k7o h ILE 36 CO -0.02 0.08 -0.08 0.78 0.00 0.00 0.00 178.15 178.91 2k7o h ASN 37 N 0.40 0.00 0.10 1.72 -0.26 -1.21 -1.43 115.58 114.91 2k7o h ASN 37 Ca 0.11 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.85 2k7o h ASN 37 Cb -0.04 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.22 2k7o h ASN 37 CO -0.02 0.08 -0.05 0.59 -1.06 0.00 0.00 177.43 176.96 2k7o n ASN 38 N -3.22 0.88 0.00 5.81 3.02 -0.36 -4.76 115.26 116.62 2k7o n ASN 38 Ca 0.00 -1.11 0.00 0.00 -0.03 0.00 0.00 54.58 53.44 2k7o n ASN 38 Cb 0.33 -0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.50 2k7o n ASN 38 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 2k7o n GLU 39 N -0.43 0.00 -2.78 3.52 0.28 -1.12 -5.07 120.64 115.04 2k7o n GLU 39 Ca 0.18 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.76 2k7o n GLU 39 Cb 0.28 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 33.12 2k7o n GLU 39 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 2k7o s LEU 40 N -4.62 4.11 0.00 -1.84 1.43 -0.55 -4.73 118.68 112.47 2k7o s LEU 40 Ca 0.00 1.22 0.00 0.00 -1.03 0.00 0.00 54.13 54.32 2k7o s LEU 40 Cb 0.00 -3.37 0.00 0.00 0.03 0.00 0.00 46.19 42.85 2k7o s LEU 40 CO 0.00 -0.57 0.00 -1.54 0.23 0.00 0.00 176.35 174.47 2k7o n SER 41 N 6.02 0.00 0.13 2.29 3.41 -1.26 -4.26 113.62 119.95 2k7o n SER 41 Ca 0.08 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 58.82 2k7o n SER 41 Cb 0.47 0.00 0.37 0.00 -0.26 0.00 0.00 64.21 64.79 2k7o n SER 41 CO 0.00 0.00 0.00 1.12 -0.16 0.00 0.00 175.04 176.00 2k7o h HIS 42 N 0.00 0.00 0.00 7.33 -0.00 -1.97 -3.24 115.15 117.27 2k7o h HIS 42 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 2k7o h HIS 42 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.41 2k7o h HIS 42 CO 0.00 0.00 -1.76 1.19 -0.00 0.00 0.00 177.93 177.36 2k7o n PHE 43 N -2.43 0.00 -4.21 6.12 3.72 -1.26 -4.97 117.46 114.43 2k7o n PHE 43 Ca 0.05 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.22 2k7o n PHE 43 Cb 0.43 -0.39 -0.07 0.00 -0.94 0.00 0.00 39.48 38.52 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 -4.16 3.19 0.00 4.37 1.02 -1.22 -4.98 118.68 116.89 2k7o s LEU 44 Ca -0.05 -0.77 0.13 0.00 0.02 0.00 0.00 54.13 53.45 2k7o s LEU 44 Cb 0.12 -1.66 0.75 0.00 0.02 0.00 0.00 46.19 45.42 2k7o s LEU 44 CO 0.78 -0.19 1.21 -0.62 0.02 0.00 0.00 176.35 177.54 2k7o n GLU 45 N -1.03 0.58 -1.17 1.70 4.71 -1.26 -4.75 120.64 119.42 2k7o n GLU 45 Ca -0.04 0.00 -0.02 0.00 -0.01 0.00 0.00 57.16 57.09 2k7o n GLU 45 Cb 0.61 -1.34 -0.01 0.00 -1.01 0.00 0.00 31.44 29.70 2k7o n GLU 45 CO 0.00 0.00 0.00 -1.91 0.09 0.00 0.00 177.13 175.31 2k7o n GLU 46 N -0.84 -0.11 -2.96 3.49 2.13 -1.26 -4.46 120.64 116.62 2k7o n GLU 46 Ca 0.09 0.49 -0.01 0.00 0.66 0.00 0.00 57.16 58.40 2k7o n GLU 46 Cb 0.04 -4.06 -0.01 0.00 0.27 0.00 0.00 31.44 27.68 2k7o n GLU 46 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 2k7o n ILE 47 N -3.09 -5.31 -0.00 6.31 2.08 -1.26 -4.96 119.36 113.14 2k7o n ILE 47 Ca -0.02 0.98 -0.00 0.00 0.56 0.00 0.00 62.75 64.27 2k7o n ILE 47 Cb 0.11 -4.11 -0.00 0.00 -0.75 0.00 0.00 39.64 34.89 2k7o n ILE 47 CO 0.00 0.00 0.00 0.50 0.56 0.00 0.00 176.55 177.61 2k7o h LYS 48 N 4.16 0.00 -6.21 0.38 3.64 -1.99 -3.48 116.57 113.07 2k7o h LYS 48 Ca -0.11 0.00 -0.54 0.00 -1.27 0.00 0.00 60.65 58.72 2k7o h LYS 48 Cb 0.55 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.30 2k7o h LYS 48 CO 0.02 0.00 -0.57 -1.21 -2.27 0.00 0.00 179.45 175.42 2k7o s GLU 49 N -1.00 2.78 0.31 1.90 0.41 -1.26 -5.01 118.70 116.82 2k7o s GLU 49 Ca -0.00 -1.05 -0.01 0.00 -0.41 0.00 0.00 54.97 53.50 2k7o s GLU 49 Cb 0.00 -2.51 0.49 0.00 -1.78 0.00 0.00 34.13 30.33 2k7o s GLU 49 CO 0.00 0.43 1.98 -0.56 -0.49 0.00 0.00 175.26 176.61 2k7o h GLN 50 N 1.95 1.03 -0.65 1.61 3.07 -2.02 -1.59 115.11 118.51 2k7o h GLN 50 Ca -0.48 -0.06 0.19 0.00 0.09 0.00 0.00 58.65 58.39 2k7o h GLN 50 Cb 1.22 -0.23 -0.03 0.00 0.08 0.00 0.00 27.48 28.53 2k7o h GLN 50 CO 0.61 0.68 0.47 0.93 0.09 0.00 0.00 178.83 181.61 2k7o h GLU 51 N 1.06 0.01 -0.27 0.06 5.08 -2.01 0.38 114.58 118.89 2k7o h GLU 51 Ca 0.29 -0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.56 2k7o h GLU 51 Cb -0.11 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 2k7o h GLU 51 CO -0.06 0.01 -0.20 0.28 -1.00 0.00 0.00 179.01 178.03 2k7o h VAL 52 N 0.01 1.25 -0.22 3.13 2.07 -1.69 -2.62 116.25 118.18 2k7o h VAL 52 Ca 0.31 -1.18 -0.03 0.00 0.82 0.00 0.00 66.70 66.62 2k7o h VAL 52 Cb 1.24 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 32.27 2k7o h VAL 52 CO -0.01 0.38 0.00 0.58 0.02 0.00 0.00 177.57 178.55 2k7o h VAL 53 N 0.45 1.25 -0.81 2.57 2.07 -0.32 -2.35 116.25 119.11 2k7o h VAL 53 Ca 0.07 -0.87 0.01 0.00 0.82 0.00 0.00 66.70 66.73 2k7o h VAL 53 Cb 0.60 1.40 -0.04 0.00 -1.52 0.00 0.00 31.29 31.73 2k7o h VAL 53 CO 0.04 0.27 0.53 0.44 0.02 0.00 0.00 177.57 178.87 2k7o h ASP 54 N 0.15 0.94 -0.01 0.57 3.32 -1.34 1.13 116.42 121.18 2k7o h ASP 54 Ca 0.06 -0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.08 2k7o h ASP 54 Cb 0.39 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.71 2k7o h ASP 54 CO 0.01 0.69 0.01 0.50 -1.72 0.00 0.00 179.24 178.73 2k7o h LYS 55 N 1.11 0.01 -0.46 3.56 3.64 -1.39 0.14 116.57 123.18 2k7o h LYS 55 Ca 0.30 -0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.55 2k7o h LYS 55 Cb -0.12 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.69 2k7o h LYS 55 CO -0.06 0.05 -0.20 0.28 -2.27 0.00 0.00 179.45 177.25 2k7o h VAL 56 N -0.03 1.27 0.12 2.00 2.07 -1.00 -1.20 116.25 119.50 2k7o h VAL 56 Ca 0.00 -1.35 -0.01 0.00 0.82 0.00 0.00 66.70 66.16 2k7o h VAL 56 Cb 0.04 1.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 2k7o h VAL 56 CO -0.00 0.46 -0.06 -0.03 0.02 0.00 0.00 177.57 177.96 2k7o h MET 57 N 0.79 -0.16 -0.68 1.57 1.85 0.16 1.49 114.93 119.95 2k7o h MET 57 Ca 0.11 0.01 -0.04 0.00 -0.61 0.00 0.00 59.70 59.17 2k7o h MET 57 Cb 0.77 0.04 -0.03 0.00 0.43 0.00 0.00 31.60 32.81 2k7o h MET 57 CO 0.06 -0.04 0.29 1.49 -0.40 0.00 0.00 176.91 178.31 2k7o h GLU 58 N -0.24 1.01 -0.47 0.39 4.57 -0.72 0.52 114.58 119.63 2k7o h GLU 58 Ca -0.02 -0.18 -0.14 0.00 -1.18 0.00 0.00 59.36 57.85 2k7o h GLU 58 Cb 0.20 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 28.61 2k7o h GLU 58 CO 0.03 0.83 -0.24 1.15 -1.18 0.00 0.00 179.01 179.60 2k7o h THR 59 N 0.96 1.27 -0.37 0.32 2.02 -0.96 -3.07 112.91 113.08 2k7o h THR 59 Ca 0.23 -1.41 -0.17 0.00 0.77 0.00 0.00 66.41 65.83 2k7o h THR 59 Cb 0.19 1.16 -0.00 0.00 -1.74 0.00 0.00 68.15 67.75 2k7o h THR 59 CO -0.02 0.49 -0.42 0.25 0.37 0.00 0.00 175.52 176.19 2k7o h LEU 60 N 0.85 1.01 -8.67 2.58 5.85 0.26 -3.40 115.31 113.78 2k7o h LEU 60 Ca 0.10 -0.48 -0.53 0.00 0.84 0.00 0.00 57.88 57.82 2k7o h LEU 60 Cb 0.83 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.55 2k7o h LEU 60 CO 0.07 1.28 1.37 -1.81 -0.34 0.00 0.00 178.44 179.02 2k7o s ASP 61 N -6.87 5.38 0.23 1.25 1.01 0.18 -4.82 116.67 113.03 2k7o s ASP 61 Ca -0.11 0.87 -0.07 0.00 0.71 0.00 0.00 52.55 53.95 2k7o s ASP 61 Cb 0.11 -2.52 0.19 0.00 1.01 0.00 0.00 42.92 41.71 2k7o s ASP 61 CO 0.89 -2.19 1.83 -0.33 0.21 0.00 0.00 175.17 175.57 2k7o h GLU 62 N 14.88 1.24 -0.00 8.23 5.08 -1.83 -2.68 114.58 139.49 2k7o h GLU 62 Ca -0.29 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 2k7o h GLU 62 Cb 1.18 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 30.21 2k7o h GLU 62 CO 1.13 0.94 -0.48 -0.40 -1.00 0.00 0.00 179.01 179.21 2k7o n ASP 63 N -4.31 0.92 -1.41 1.42 5.75 -1.26 -4.94 116.55 112.72 2k7o n ASP 63 Ca 0.09 -0.72 -0.14 0.00 -0.01 0.00 0.00 54.79 54.01 2k7o n ASP 63 Cb 0.13 0.33 -0.03 0.00 -1.03 0.00 0.00 41.12 40.53 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 1.43 0.37 0.00 6.12 0.00 -1.01 -4.83 105.19 107.27 2k7o n GLY 64 Ca 0.08 -0.32 0.08 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.53 0.00 0.00 1.61 5.75 -1.26 -4.81 116.55 117.31 2k7o n ASP 65 Ca -0.16 -0.36 0.00 0.00 -0.01 0.00 0.00 54.79 54.26 2k7o n ASP 65 Cb 0.57 -0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.58 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 0.04 3.09 3.59 6.12 0.00 -1.26 -4.98 105.19 111.78 2k7o n GLY 66 Ca 0.11 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.27 1.93 -0.41 1.61 8.01 -1.26 -4.63 118.70 123.67 2k7o s GLU 67 Ca 0.00 -2.14 -0.07 0.00 0.01 0.00 0.00 54.97 52.77 2k7o s GLU 67 Cb 0.00 -1.19 0.08 0.00 -4.31 0.00 0.00 34.13 28.71 2k7o s GLU 67 CO 0.00 -0.25 0.23 0.00 0.01 0.00 0.00 175.26 175.25 2k7o s ASP 69 N 2.01 1.34 0.12 0.00 1.01 -1.26 -3.22 116.67 116.67 2k7o s ASP 69 Ca 0.03 0.73 -0.20 0.00 0.71 0.00 0.00 52.55 53.83 2k7o s ASP 69 Cb -0.23 -1.06 -0.07 0.00 1.01 0.00 0.00 42.92 42.57 2k7o s ASP 69 CO 0.00 -3.88 1.78 0.15 0.21 0.00 0.00 175.17 173.43 2k7o h PHE 70 N -2.41 0.24 0.41 4.23 3.04 -1.99 0.52 116.94 120.99 2k7o h PHE 70 Ca -0.47 0.01 -0.01 0.00 3.98 0.00 0.00 57.97 61.47 2k7o h PHE 70 Cb 1.30 -0.08 -0.01 0.00 2.56 0.00 0.00 35.95 39.72 2k7o h PHE 70 CO -1.57 0.15 -0.26 0.37 -2.02 0.00 0.00 178.31 174.97 2k7o h GLN 71 N 0.26 -0.63 -0.69 1.11 5.75 -1.97 -0.20 115.11 118.75 2k7o h GLN 71 Ca 0.07 0.04 0.01 0.00 -0.15 0.00 0.00 58.65 58.62 2k7o h GLN 71 Cb -0.03 0.14 -0.03 0.00 1.07 0.00 0.00 27.48 28.63 2k7o h GLN 71 CO -0.02 -0.42 0.46 0.93 -2.65 0.00 0.00 178.83 177.13 2k7o h GLU 72 N -0.65 0.91 -0.65 1.69 5.08 -1.88 0.16 114.58 119.24 2k7o h GLU 72 Ca -0.04 -0.06 0.13 0.00 -1.00 0.00 0.00 59.36 58.39 2k7o h GLU 72 Cb 0.54 -0.21 -0.10 0.00 0.50 0.00 0.00 28.75 29.49 2k7o h GLU 72 CO 0.04 0.61 0.12 0.35 -1.00 0.00 0.00 179.01 179.13 2k7o h PHE 73 N 0.94 0.18 -0.47 4.33 3.57 0.53 0.31 116.94 126.33 2k7o h PHE 73 Ca 0.25 0.04 -0.14 0.00 3.53 0.00 0.00 57.97 61.65 2k7o h PHE 73 Cb -0.11 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.64 2k7o h PHE 73 CO -0.02 -0.07 -0.25 0.52 -2.23 0.00 0.00 178.31 176.25 2k7o h MET 74 N 0.24 0.99 0.00 1.11 2.86 -0.18 -2.42 114.93 117.52 2k7o h MET 74 Ca 0.35 -0.45 0.00 0.00 -2.06 0.00 0.00 59.70 57.55 2k7o h MET 74 Cb 0.56 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.20 2k7o h MET 74 CO -0.46 1.12 0.09 0.00 1.06 0.00 0.00 176.91 178.72 2k7o n ALA 75 N -2.53 0.89 -0.01 6.32 0.00 0.96 0.78 120.51 126.92 2k7o n ALA 75 Ca -0.00 0.11 -0.04 0.00 0.00 0.00 0.00 53.44 53.51 2k7o n ALA 75 Cb 0.48 -1.04 -0.12 0.00 0.00 0.00 0.00 19.45 18.77 2k7o n ALA 75 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2k7o n PHE 76 N -1.91 0.82 -0.29 0.00 -0.00 -0.49 -3.43 117.46 112.16 2k7o n PHE 76 Ca -0.01 0.28 -0.04 0.00 -0.00 0.00 0.00 57.45 57.69 2k7o n PHE 76 Cb 0.11 -1.09 0.07 0.00 -0.00 0.00 0.00 39.48 38.57 2k7o n PHE 76 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.76 177.04 2k7o h VAL 77 N 0.00 1.20 -0.25 -2.13 2.07 0.43 -1.66 116.25 115.91 2k7o h VAL 77 Ca -0.26 -0.37 -0.05 0.00 0.82 0.00 0.00 66.70 66.85 2k7o h VAL 77 Cb 1.81 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 2k7o h VAL 77 CO 0.05 0.20 -0.03 -1.28 0.02 0.00 0.00 177.57 176.53 2k7o h SER 78 N 1.08 0.46 -1.01 0.57 0.87 -1.62 -2.80 113.55 111.10 2k7o h SER 78 Ca 0.29 -0.34 0.19 0.00 -1.23 0.00 0.00 61.79 60.70 2k7o h SER 78 Cb -0.12 -0.12 -0.11 0.00 -0.44 0.00 0.00 62.40 61.61 2k7o h SER 78 CO -0.06 0.69 0.61 0.24 -0.53 0.00 0.00 176.83 177.78 2k7o h MET 79 N 0.22 0.75 0.00 2.24 2.07 -1.41 0.71 114.93 119.52 2k7o h MET 79 Ca 0.07 -0.05 -0.07 0.00 -2.07 0.00 0.00 59.70 57.58 2k7o h MET 79 Cb 0.47 -0.17 -0.01 0.00 -1.87 0.00 0.00 31.60 30.02 2k7o h MET 79 CO 0.02 0.50 -0.33 0.28 1.07 0.00 0.00 176.91 178.45 2k7o h VAL 80 N 0.78 1.22 0.08 -2.22 2.07 -1.08 0.16 116.25 117.26 2k7o h VAL 80 Ca 0.58 -1.14 -0.14 0.00 0.82 0.00 0.00 66.70 66.82 2k7o h VAL 80 Cb 0.88 1.62 0.01 0.00 -1.52 0.00 0.00 31.29 32.28 2k7o h VAL 80 CO -0.38 0.32 -0.66 0.71 0.02 0.00 0.00 177.57 177.59 2k7o h THR 81 N 0.00 1.51 0.00 2.57 1.35 0.38 -3.28 112.91 115.44 2k7o h THR 81 Ca -0.00 -2.44 0.00 0.00 -0.55 0.00 0.00 66.41 63.42 2k7o h THR 81 Cb 0.59 3.14 0.00 0.00 -1.73 0.00 0.00 68.15 70.15 2k7o h THR 81 CO 0.04 0.66 0.00 0.71 -0.25 0.00 0.00 175.52 176.68 2k7o h THR 82 N -0.61 0.00 -0.15 6.82 1.35 0.06 -2.95 112.91 117.44 2k7o h THR 82 Ca -0.13 -0.26 -0.07 0.00 -0.55 0.00 0.00 66.41 65.40 2k7o h THR 82 Cb 1.43 1.02 -0.00 0.00 -1.73 0.00 0.00 68.15 68.87 2k7o h THR 82 CO 0.07 0.00 -0.19 0.00 -0.25 0.00 0.00 175.52 175.15 2k7o h ALA 83 N 2.25 0.22 -2.46 6.62 0.00 -0.74 -3.43 119.26 121.72 2k7o h ALA 83 Ca 0.00 -0.35 -0.47 0.00 0.00 0.00 0.00 54.91 54.09 2k7o h ALA 83 Cb 0.38 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2k7o h ALA 83 CO 0.00 0.15 0.36 0.00 0.00 0.00 0.00 179.25 179.76 2k7o s HIS 85 N -1.63 2.95 0.72 0.00 -3.43 -1.26 -4.97 115.29 107.67 2k7o s HIS 85 Ca 0.52 0.75 -0.13 0.00 -0.80 0.00 0.00 55.06 55.40 2k7o s HIS 85 Cb -0.19 -3.50 0.03 0.00 -1.43 0.00 0.00 32.58 27.49 2k7o s HIS 85 CO 0.25 -1.78 1.11 -1.21 -2.00 0.00 0.00 174.74 171.11 2k7o s GLU 86 N -5.58 2.46 -2.00 -0.38 0.41 -1.26 -3.05 118.70 109.30 2k7o s GLU 86 Ca 0.62 1.35 0.00 0.00 -0.41 0.00 0.00 54.97 56.53 2k7o s GLU 86 Cb -0.11 -1.91 0.00 0.00 -1.78 0.00 0.00 34.13 30.33 2k7o s GLU 86 CO 0.49 -1.51 0.00 0.34 -0.49 0.00 0.00 175.26 174.09 2k7o n PHE 87 N -2.93 -0.53 -0.38 1.61 7.35 -1.26 -4.84 117.46 116.48 2k7o n PHE 87 Ca 0.10 0.00 -0.02 0.00 -0.76 0.00 0.00 57.45 56.77 2k7o n PHE 87 Cb 0.52 -3.76 0.11 0.00 0.35 0.00 0.00 39.48 36.70 2k7o n PHE 87 CO 0.00 0.00 0.00 0.35 -0.76 0.00 0.00 176.76 176.35 2k7o h PHE 88 N 0.00 1.27 -3.90 -5.13 3.04 -1.93 -3.33 116.94 106.95 2k7o h PHE 88 Ca -0.47 0.03 -0.53 0.00 3.98 0.00 0.00 57.97 60.98 2k7o h PHE 88 Cb 1.37 -0.43 0.08 0.00 2.56 0.00 0.00 35.95 39.53 2k7o h PHE 88 CO 0.57 0.80 0.69 -1.21 -2.02 0.00 0.00 178.31 177.14 2k7o s GLU 89 N -6.10 4.27 -1.57 1.11 2.02 -1.26 -2.03 118.70 115.13 2k7o s GLU 89 Ca -0.13 2.34 0.00 0.00 0.02 0.00 0.00 54.97 57.20 2k7o s GLU 89 Cb 0.18 -3.03 0.00 0.00 0.10 0.00 0.00 34.13 31.38 2k7o s GLU 89 CO 0.82 -0.31 0.00 0.72 0.02 0.00 0.00 175.26 176.51 2k7o n HIS 90 N 0.68 -0.87 0.00 1.61 8.25 -1.26 -5.20 115.22 118.43 2k7o n HIS 90 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2k7o n HIS 90 Cb 0.41 -3.30 0.00 0.00 1.12 0.00 0.00 29.99 28.22 2k7o n HIS 90 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07