#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3eok s LEU 2 N 0.00 3.47 0.94 6.55 1.43 -1.26 -5.08 118.68 124.73 3eok s LEU 2 Ca 0.00 -0.10 -0.12 0.00 -1.03 0.00 0.00 54.13 52.87 3eok s LEU 2 Cb 0.00 -1.89 0.15 0.00 0.03 0.00 0.00 46.19 44.49 3eok s LEU 2 CO 0.00 0.09 1.11 -0.94 0.23 0.00 0.00 176.35 176.84 3eok s SER 3 N 0.85 3.21 0.38 2.29 1.04 -1.26 -4.86 113.70 115.35 3eok s SER 3 Ca 0.02 1.13 0.05 0.00 0.48 0.00 0.00 55.95 57.62 3eok s SER 3 Cb -0.14 -1.76 0.74 0.00 0.10 0.00 0.00 66.02 64.96 3eok s SER 3 CO 0.02 -2.76 2.03 0.00 0.98 0.00 0.00 173.24 173.51 3eok h ALA 4 N -1.64 1.63 -0.43 5.32 0.00 -1.99 -1.90 119.26 120.25 3eok h ALA 4 Ca -0.52 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.31 3eok h ALA 4 Cb 1.32 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 3eok h ALA 4 CO 0.59 0.33 0.07 0.00 0.00 0.00 0.00 179.25 180.25 3eok h ALA 5 N 1.66 0.57 -0.35 0.00 0.00 -2.00 -2.15 119.26 117.00 3eok h ALA 5 Ca 0.21 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.91 3eok h ALA 5 Cb -0.05 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3eok h ALA 5 CO -0.05 0.29 0.21 -0.44 0.00 0.00 0.00 179.25 179.26 3eok h ASP 6 N 0.57 0.36 -0.50 0.00 3.32 -1.82 -1.18 116.42 117.17 3eok h ASP 6 Ca 0.13 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 3eok h ASP 6 Cb 0.37 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.82 3eok h ASP 6 CO 0.01 0.26 0.29 0.11 -1.72 0.00 0.00 179.24 178.18 3eok h LYS 7 N 0.44 0.70 -0.42 3.56 1.57 -1.33 0.49 116.57 121.58 3eok h LYS 7 Ca 0.13 -0.08 0.07 0.00 -1.87 0.00 0.00 60.65 58.91 3eok h LYS 7 Cb -0.02 -0.14 -0.06 0.00 0.08 0.00 0.00 32.23 32.08 3eok h LYS 7 CO -0.05 0.53 0.04 1.15 -0.57 0.00 0.00 179.45 180.55 3eok h THR 8 N 0.67 0.72 -0.52 -0.16 2.02 -1.25 -0.99 112.91 113.40 3eok h THR 8 Ca 0.18 -0.05 -0.04 0.00 0.77 0.00 0.00 66.41 67.26 3eok h THR 8 Cb 0.03 0.55 -0.02 0.00 -1.74 0.00 0.00 68.15 66.97 3eok h THR 8 CO -0.03 0.03 0.15 0.78 0.37 0.00 0.00 175.52 176.82 3eok h ASN 9 N 0.15 0.76 -0.08 4.18 -0.26 -0.62 0.24 115.58 119.96 3eok h ASN 9 Ca 0.21 -0.22 -0.03 0.00 -0.56 0.00 0.00 56.30 55.70 3eok h ASN 9 Cb 0.29 -0.20 -0.00 0.00 -1.06 0.00 0.00 38.32 37.34 3eok h ASN 9 CO -0.32 0.78 -0.07 0.58 -1.06 0.00 0.00 177.43 177.34 3eok h VAL 10 N 0.71 1.36 -0.92 2.81 2.07 -0.85 -1.37 116.25 120.07 3eok h VAL 10 Ca 0.17 -1.21 0.13 0.00 0.82 0.00 0.00 66.70 66.60 3eok h VAL 10 Cb 0.30 1.99 -0.09 0.00 -1.52 0.00 0.00 31.29 31.97 3eok h VAL 10 CO -0.00 0.34 0.54 0.11 0.02 0.00 0.00 177.57 178.57 3eok h LYS 11 N -0.22 0.80 0.05 1.57 1.57 -1.15 -1.50 116.57 117.69 3eok h LYS 11 Ca 0.01 -0.05 0.02 0.00 -1.87 0.00 0.00 60.65 58.77 3eok h LYS 11 Cb 0.58 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.68 3eok h LYS 11 CO 0.02 0.53 -0.18 0.78 -0.57 0.00 0.00 179.45 180.03 3eok h GLY 12 N 0.83 -0.29 0.88 3.86 0.00 -0.17 -1.53 103.07 106.64 3eok h GLY 12 Ca 0.47 0.21 -0.07 0.00 0.00 0.00 0.00 47.33 47.94 3eok h GLY 12 CO -0.29 -0.17 -0.12 -2.08 0.00 0.00 0.00 176.54 173.88 3eok h VAL 13 N -0.32 1.29 0.00 4.60 2.07 -0.99 -2.94 116.25 119.97 3eok h VAL 13 Ca 0.04 -1.20 -0.02 0.00 0.82 0.00 0.00 66.70 66.35 3eok h VAL 13 Cb 0.37 1.50 -0.00 0.00 -1.52 0.00 0.00 31.29 31.63 3eok h VAL 13 CO -0.13 0.38 -0.08 -0.26 0.02 0.00 0.00 177.57 177.49 3eok h PHE 14 N 0.30 0.00 -0.58 1.57 -1.00 -1.27 -2.22 116.94 113.73 3eok h PHE 14 Ca 0.06 0.00 -0.10 0.00 2.81 0.00 0.00 57.97 60.74 3eok h PHE 14 Cb 0.63 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.17 3eok h PHE 14 CO 0.06 0.08 -0.04 0.66 -1.61 0.00 0.00 178.31 177.46 3eok h SER 15 N 0.00 1.05 -0.21 2.17 4.64 -1.09 -1.63 113.55 118.48 3eok h SER 15 Ca -0.00 -0.32 -0.10 0.00 -0.47 0.00 0.00 61.79 60.90 3eok h SER 15 Cb 0.18 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 61.97 3eok h SER 15 CO 0.01 1.12 -0.19 0.11 -0.87 0.00 0.00 176.83 177.01 3eok h LYS 16 N 0.95 0.65 0.01 4.77 1.57 -1.43 -3.18 116.57 119.90 3eok h LYS 16 Ca 0.16 -0.24 -0.00 0.00 -1.87 0.00 0.00 60.65 58.71 3eok h LYS 16 Cb 0.60 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.87 3eok h LYS 16 CO 0.04 0.80 -0.00 0.82 -0.57 0.00 0.00 179.45 180.53 3eok h ILE 17 N 0.58 1.20 0.00 1.86 2.04 -1.27 -3.44 117.51 118.48 3eok h ILE 17 Ca 0.09 -0.61 0.00 0.00 1.00 0.00 0.00 64.86 65.34 3eok h ILE 17 Cb 0.65 1.61 0.00 0.00 -0.74 0.00 0.00 36.82 38.34 3eok h ILE 17 CO 0.05 0.16 0.00 0.61 0.00 0.00 0.00 178.15 178.96 3eok n GLY 18 N -0.39 1.41 0.00 5.37 0.00 -0.63 -0.72 105.19 110.23 3eok n GLY 18 Ca -0.08 0.52 0.15 0.00 0.00 0.00 0.00 46.02 46.61 3eok n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3eok n GLY 19 N 0.00 -1.07 0.77 -0.02 0.00 -1.26 -3.52 105.19 100.08 3eok n GLY 19 Ca 0.00 -0.17 0.09 0.00 0.00 0.00 0.00 46.02 45.94 3eok n GLY 19 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3eok n HIS 20 N -1.12 0.10 -0.22 1.61 -0.00 0.10 -4.64 115.22 111.05 3eok n HIS 20 Ca 0.19 -0.06 0.03 0.00 -0.00 0.00 0.00 57.72 57.88 3eok n HIS 20 Cb 0.16 -0.00 0.14 0.00 -0.00 0.00 0.00 29.99 30.28 3eok n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3eok h ALA 21 N 3.52 0.76 -0.22 -1.41 0.00 -1.65 -1.31 119.26 118.95 3eok h ALA 21 Ca 0.00 0.18 0.05 0.00 0.00 0.00 0.00 54.91 55.14 3eok h ALA 21 Cb 0.77 0.29 -0.05 0.00 0.00 0.00 0.00 17.79 18.80 3eok h ALA 21 CO 0.00 -0.37 -0.10 0.93 0.00 0.00 0.00 179.25 179.71 3eok h GLU 22 N 0.18 -0.06 -0.71 0.00 5.08 -1.87 0.13 114.58 117.33 3eok h GLU 22 Ca 0.36 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.66 3eok h GLU 22 Cb 0.60 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.84 3eok h GLU 22 CO -0.52 -0.04 0.18 0.93 -1.00 0.00 0.00 179.01 178.56 3eok h GLU 23 N -0.07 1.13 -0.29 2.33 5.08 -1.62 -2.13 114.58 119.01 3eok h GLU 23 Ca 0.12 -0.27 -0.10 0.00 -1.00 0.00 0.00 59.36 58.11 3eok h GLU 23 Cb 0.24 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 3eok h GLU 23 CO -0.27 0.99 -0.25 1.88 -1.00 0.00 0.00 179.01 180.36 3eok h TYR 24 N 1.08 0.63 -0.02 4.33 -1.99 -1.10 -0.29 116.97 119.61 3eok h TYR 24 Ca 0.22 -0.14 0.03 0.00 2.00 0.00 0.00 58.73 60.85 3eok h TYR 24 Cb 0.36 -0.15 -0.04 0.00 2.00 0.00 0.00 36.73 38.90 3eok h TYR 24 CO 0.03 0.77 -0.21 0.78 -0.00 0.00 0.00 178.16 179.53 3eok h GLY 25 N 1.01 -0.27 0.96 3.88 0.00 -0.29 -0.17 103.07 108.19 3eok h GLY 25 Ca 0.07 0.25 -0.02 0.00 0.00 0.00 0.00 47.33 47.62 3eok h GLY 25 CO 0.05 -0.18 0.20 0.00 0.00 0.00 0.00 176.54 176.61 3eok h ALA 26 N 0.59 0.62 -0.65 3.60 0.00 -1.08 -2.76 119.26 119.58 3eok h ALA 26 Ca 0.07 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 3eok h ALA 26 Cb 0.41 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 3eok h ALA 26 CO -0.21 0.21 0.24 1.49 0.00 0.00 0.00 179.25 180.98 3eok h GLU 27 N 0.63 0.96 -0.28 0.00 4.81 -0.91 -1.89 114.58 117.89 3eok h GLU 27 Ca 0.16 -0.17 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 3eok h GLU 27 Cb 0.17 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 3eok h GLU 27 CO -0.02 0.80 0.13 1.79 -0.73 0.00 0.00 179.01 180.99 3eok h THR 28 N 0.94 1.16 -0.55 0.32 1.35 -0.79 -1.92 112.91 113.42 3eok h THR 28 Ca 0.22 -0.46 -0.01 0.00 -0.55 0.00 0.00 66.41 65.60 3eok h THR 28 Cb 0.22 0.95 -0.03 0.00 -1.73 0.00 0.00 68.15 67.56 3eok h THR 28 CO -0.02 0.16 0.30 -0.07 -0.25 0.00 0.00 175.52 175.65 3eok h LEU 29 N 0.32 0.69 -0.70 3.87 3.38 -1.29 -1.04 115.31 120.54 3eok h LEU 29 Ca 0.10 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3eok h LEU 29 Cb 0.14 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 3eok h LEU 29 CO -0.01 0.58 0.45 -0.33 0.09 0.00 0.00 178.44 179.23 3eok h GLU 30 N 0.74 0.94 -0.52 1.13 5.08 -1.17 -0.19 114.58 120.59 3eok h GLU 30 Ca 0.19 -0.07 -0.08 0.00 -1.00 0.00 0.00 59.36 58.41 3eok h GLU 30 Cb 0.05 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 3eok h GLU 30 CO -0.03 0.64 0.03 0.00 -1.00 0.00 0.00 179.01 178.65 3eok h ARG 31 N 0.96 0.90 -0.03 2.33 3.08 -1.09 -2.34 114.38 118.19 3eok h ARG 31 Ca 0.26 -0.27 0.02 0.00 0.07 0.00 0.00 59.98 60.05 3eok h ARG 31 Cb -0.08 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 29.85 3eok h ARG 31 CO -0.05 0.91 -0.09 1.98 -1.07 0.00 0.00 179.97 181.64 3eok h MET 32 N 0.78 -0.14 -1.00 0.04 4.05 -0.74 0.28 114.93 118.19 3eok h MET 32 Ca 0.15 0.01 0.03 0.00 -0.28 0.00 0.00 59.70 59.61 3eok h MET 32 Cb 0.48 0.03 -0.06 0.00 -0.80 0.00 0.00 31.60 31.26 3eok h MET 32 CO 0.02 -0.10 0.66 0.74 0.23 0.00 0.00 176.91 178.46 3eok h PHE 33 N -0.15 1.23 -0.04 1.39 0.04 -0.99 0.29 116.94 118.71 3eok h PHE 33 Ca 0.04 0.03 -0.16 0.00 2.80 0.00 0.00 57.97 60.68 3eok h PHE 33 Cb 0.21 -0.41 0.01 0.00 2.20 0.00 0.00 35.95 37.96 3eok h PHE 33 CO -0.17 0.72 -0.61 0.82 -0.60 0.00 0.00 178.31 178.48 3eok h ILE 34 N 1.28 1.39 0.00 -0.55 2.04 -1.24 -3.18 117.51 117.25 3eok h ILE 34 Ca 0.39 -2.00 -0.23 0.00 1.00 0.00 0.00 64.86 64.02 3eok h ILE 34 Cb -0.03 2.43 -0.04 0.00 -0.74 0.00 0.00 36.82 38.44 3eok h ILE 34 CO -0.11 0.59 -1.23 0.00 0.00 0.00 0.00 178.15 177.40 3eok h ALA 35 N 0.38 0.54 -2.74 1.87 0.00 -0.27 -3.38 119.26 115.66 3eok h ALA 35 Ca -0.07 -1.07 -0.61 0.00 0.00 0.00 0.00 54.91 53.17 3eok h ALA 35 Cb 1.29 0.09 -0.40 0.00 0.00 0.00 0.00 17.79 18.77 3eok h ALA 35 CO 0.12 1.30 -0.76 0.66 0.00 0.00 0.00 179.25 180.57 3eok n TYR 36 N -3.21 1.32 0.28 0.00 4.02 0.10 -4.99 117.16 114.68 3eok n TYR 36 Ca -0.06 -3.85 0.14 0.00 -0.01 0.00 0.00 57.90 54.13 3eok n TYR 36 Cb 0.96 -0.21 0.83 0.00 -0.02 0.00 0.00 39.34 40.89 3eok n TYR 36 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 3eok h PRO 37 N 5.47 0.00 -0.15 -0.72 0.11 -1.72 -1.90 132.00 133.09 3eok h PRO 37 Ca 0.21 0.00 0.04 0.00 0.11 0.00 0.00 66.00 66.36 3eok h PRO 37 Cb 0.82 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.93 3eok h PRO 37 CO 0.56 0.06 0.19 -0.56 -0.21 0.00 0.00 178.00 178.04 3eok h GLN 38 N 0.00 0.00 0.00 1.05 -0.00 -1.91 -1.50 115.11 112.74 3eok h GLN 38 Ca -0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 58.62 3eok h GLN 38 Cb 0.18 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 27.66 3eok h GLN 38 CO 0.01 0.00 -0.12 1.79 -0.00 0.00 0.00 178.83 180.51 3eok h THR 39 N 0.00 0.48 -0.18 1.86 1.35 -1.67 -2.89 112.91 111.86 3eok h THR 39 Ca 0.07 -0.61 0.05 0.00 -0.55 0.00 0.00 66.41 65.38 3eok h THR 39 Cb 0.45 1.41 -0.01 0.00 -1.73 0.00 0.00 68.15 68.27 3eok h THR 39 CO -0.00 0.12 0.21 0.11 -0.25 0.00 0.00 175.52 175.71 3eok h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.47 -2.39 116.57 119.00 3eok h LYS 40 Ca -0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3eok h LYS 40 Cb 0.40 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.71 3eok h LYS 40 CO 0.02 0.00 -0.06 1.79 -0.57 0.00 0.00 179.45 180.63 3eok h THR 41 N 0.00 0.20 -0.00 -0.16 1.35 -1.70 -1.85 112.91 110.75 3eok h THR 41 Ca 0.08 -0.48 0.00 0.00 -0.55 0.00 0.00 66.41 65.47 3eok h THR 41 Cb 0.51 1.39 0.00 0.00 -1.73 0.00 0.00 68.15 68.32 3eok h THR 41 CO -0.00 0.05 -0.17 -1.22 -0.25 0.00 0.00 175.52 173.94 3eok n TYR 42 N -3.26 0.00 -2.77 4.73 4.01 -0.90 -4.22 117.16 114.76 3eok n TYR 42 Ca -0.01 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.50 3eok n TYR 42 Cb 0.25 -0.37 -0.01 0.00 -0.31 0.00 0.00 39.34 38.90 3eok n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 3eok n PHE 43 N -1.42 2.90 0.20 -0.72 3.01 -0.69 -4.89 117.46 115.84 3eok n PHE 43 Ca 0.08 -3.49 0.06 0.00 1.01 0.00 0.00 57.45 55.12 3eok n PHE 43 Cb 0.33 -0.32 0.39 0.00 -0.01 0.00 0.00 39.48 39.87 3eok n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 3eok h PRO 44 N 2.84 0.00 -0.60 -1.08 0.13 -1.73 -2.15 132.00 129.41 3eok h PRO 44 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 3eok h PRO 44 Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 3eok h PRO 44 CO 0.74 0.34 0.00 -2.39 -0.23 0.00 0.00 178.00 176.46 3eok n HIS 45 N -3.61 0.92 -4.02 1.56 1.44 -1.26 -4.92 115.22 105.32 3eok n HIS 45 Ca -0.01 -0.36 -0.28 0.00 -2.01 0.00 0.00 57.72 55.06 3eok n HIS 45 Cb 0.46 -0.18 -0.05 0.00 0.12 0.00 0.00 29.99 30.34 3eok n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 3eok s PHE 46 N -1.74 3.29 -0.37 -1.40 2.99 -0.81 -5.07 117.98 114.87 3eok s PHE 46 Ca 0.31 0.08 -0.23 0.00 0.00 0.00 0.00 56.93 57.09 3eok s PHE 46 Cb 0.20 -1.62 0.01 0.00 0.00 0.00 0.00 43.02 41.61 3eok s PHE 46 CO 0.14 0.53 0.77 0.34 -0.00 0.00 0.00 175.22 177.00 3eok s ASP 47 N -2.80 6.53 -0.12 1.36 2.15 -1.26 -4.92 116.67 117.61 3eok s ASP 47 Ca 0.32 0.31 0.16 0.00 0.43 0.00 0.00 52.55 53.77 3eok s ASP 47 Cb -0.11 -2.39 0.56 0.00 -0.30 0.00 0.00 42.92 40.68 3eok s ASP 47 CO 0.25 -0.72 1.48 0.18 -0.17 0.00 0.00 175.17 176.18 3eok n LEU 48 N 6.39 4.09 -4.77 -1.34 4.77 -1.26 -4.36 117.00 120.52 3eok n LEU 48 Ca 0.03 -2.57 -0.36 0.00 -0.03 0.00 0.00 56.01 53.07 3eok n LEU 48 Cb 0.48 -0.49 -0.00 0.00 -2.33 0.00 0.00 43.42 41.08 3eok n LEU 48 CO 0.53 0.73 0.81 -0.94 -1.33 0.00 0.00 177.39 177.20 3eok s SER 49 N -1.27 5.99 0.17 -1.43 1.04 -1.26 -4.91 113.70 112.03 3eok s SER 49 Ca 0.41 2.26 -0.34 0.00 0.48 0.00 0.00 55.95 58.77 3eok s SER 49 Cb 0.29 -2.59 -0.14 0.00 0.10 0.00 0.00 66.02 63.68 3eok s SER 49 CO 0.16 -1.04 1.59 1.57 0.98 0.00 0.00 173.24 176.51 3eok n HIS 50 N -0.79 2.33 -1.60 5.02 -0.00 -1.26 -1.94 115.22 116.97 3eok n HIS 50 Ca 0.09 0.25 -0.11 0.00 0.46 0.00 0.00 57.72 58.41 3eok n HIS 50 Cb 0.49 -2.56 -0.03 0.00 -0.12 0.00 0.00 29.99 27.77 3eok n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3eok n GLY 51 N 3.42 0.80 3.77 1.57 0.00 -1.26 -5.00 105.19 108.48 3eok n GLY 51 Ca 0.17 -0.50 -0.38 0.00 0.00 0.00 0.00 46.02 45.31 3eok n GLY 51 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3eok s SER 52 N -2.76 6.16 0.31 1.61 1.04 -0.82 -4.92 113.70 114.31 3eok s SER 52 Ca 0.00 2.42 0.02 0.00 0.48 0.00 0.00 55.95 58.87 3eok s SER 52 Cb 0.00 -2.61 0.57 0.00 0.10 0.00 0.00 66.02 64.07 3eok s SER 52 CO 0.00 -0.93 1.90 0.00 0.98 0.00 0.00 173.24 175.19 3eok h ALA 53 N 2.20 1.55 -0.61 5.32 0.00 -1.91 -2.20 119.26 123.61 3eok h ALA 53 Ca -0.49 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.42 3eok h ALA 53 Cb 1.25 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.76 3eok h ALA 53 CO 0.61 0.29 0.39 1.96 0.00 0.00 0.00 179.25 182.50 3eok h GLN 54 N 0.98 0.75 -0.55 0.00 4.20 -1.92 0.64 115.11 119.22 3eok h GLN 54 Ca 0.40 -0.05 -0.05 0.00 0.06 0.00 0.00 58.65 59.02 3eok h GLN 54 Cb 0.28 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.86 3eok h GLN 54 CO -0.16 0.50 0.15 0.82 -0.67 0.00 0.00 178.83 179.47 3eok h ILE 55 N 0.78 1.24 -0.43 2.54 2.04 -1.65 -1.77 117.51 120.26 3eok h ILE 55 Ca 0.24 -0.83 -0.04 0.00 1.00 0.00 0.00 64.86 65.23 3eok h ILE 55 Cb -0.03 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 36.78 3eok h ILE 55 CO -0.08 0.31 0.11 0.11 0.00 0.00 0.00 178.15 178.59 3eok h LYS 56 N 0.76 0.69 -0.67 2.37 1.79 -1.10 0.31 116.57 120.72 3eok h LYS 56 Ca 0.17 -0.17 -0.06 0.00 -2.18 0.00 0.00 60.65 58.42 3eok h LYS 56 Cb 0.31 -0.09 -0.03 0.00 -1.58 0.00 0.00 32.23 30.84 3eok h LYS 56 CO -0.00 0.70 0.20 0.00 -1.08 0.00 0.00 179.45 179.27 3eok h ALA 57 N 0.96 0.88 -0.15 3.86 0.00 -0.87 -1.90 119.26 122.05 3eok h ALA 57 Ca 0.14 -0.22 -0.13 0.00 0.00 0.00 0.00 54.91 54.69 3eok h ALA 57 Cb 0.32 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3eok h ALA 57 CO 0.00 0.56 -0.43 1.25 0.00 0.00 0.00 179.25 180.63 3eok h HIS 58 N 0.98 0.72 -0.76 0.00 -0.00 -1.16 -3.09 115.15 111.84 3eok h HIS 58 Ca 0.22 -0.29 0.12 0.00 -0.00 0.00 0.00 60.37 60.42 3eok h HIS 58 Cb 0.31 -0.12 -0.08 0.00 -0.00 0.00 0.00 27.41 27.51 3eok h HIS 58 CO 0.02 1.05 0.37 0.78 -0.00 0.00 0.00 177.93 180.15 3eok h GLY 59 N 0.19 1.17 0.69 5.26 0.00 -0.30 -1.26 103.07 108.82 3eok h GLY 59 Ca -0.01 -0.22 0.05 0.00 0.00 0.00 0.00 47.33 47.15 3eok h GLY 59 CO 0.09 0.00 0.24 1.70 0.00 0.00 0.00 176.54 178.58 3eok h LYS 60 N 0.58 0.46 -0.58 4.80 3.64 -1.36 -1.06 116.57 123.06 3eok h LYS 60 Ca 0.40 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.69 3eok h LYS 60 Cb 0.50 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.19 3eok h LYS 60 CO -0.32 0.30 0.14 0.87 -2.27 0.00 0.00 179.45 178.17 3eok h LYS 61 N 0.47 0.94 -0.13 1.90 1.57 -1.30 0.64 116.57 120.65 3eok h LYS 61 Ca 0.23 -0.23 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3eok h LYS 61 Cb 0.16 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 3eok h LYS 61 CO -0.17 0.87 0.06 0.28 -0.57 0.00 0.00 179.45 179.92 3eok h VAL 62 N 0.85 1.14 -0.62 0.50 2.07 -1.01 -1.96 116.25 117.22 3eok h VAL 62 Ca 0.18 -0.41 -0.00 0.00 0.82 0.00 0.00 66.70 67.29 3eok h VAL 62 Cb 0.36 1.17 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 3eok h VAL 62 CO 0.00 0.13 0.38 0.00 0.02 0.00 0.00 177.57 178.10 3eok h ALA 63 N 0.91 0.79 -0.73 1.67 0.00 -1.12 -2.23 119.26 118.55 3eok h ALA 63 Ca 0.04 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 54.96 3eok h ALA 63 Cb 0.15 -0.25 -0.06 0.00 0.00 0.00 0.00 17.79 17.63 3eok h ALA 63 CO -0.00 0.26 0.40 0.00 0.00 0.00 0.00 179.25 179.91 3eok h ALA 64 N 1.20 1.00 -0.35 0.00 0.00 -0.73 -0.88 119.26 119.50 3eok h ALA 64 Ca 0.22 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.07 3eok h ALA 64 Cb -0.04 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3eok h ALA 64 CO -0.04 0.06 -0.17 0.00 0.00 0.00 0.00 179.25 179.10 3eok h ALA 65 N 1.39 1.06 -0.53 0.00 0.00 -1.10 -1.28 119.26 118.80 3eok h ALA 65 Ca 0.34 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 3eok h ALA 65 Cb 0.26 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3eok h ALA 65 CO -0.21 0.57 0.03 -0.07 0.00 0.00 0.00 179.25 179.57 3eok h LEU 66 N 0.57 0.90 -0.58 0.00 3.38 -0.77 -1.61 115.31 117.20 3eok h LEU 66 Ca 0.09 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 3eok h LEU 66 Cb 0.61 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 3eok h LEU 66 CO 0.04 0.97 0.35 0.58 0.09 0.00 0.00 178.44 180.47 3eok h VAL 67 N 0.80 1.17 -0.41 1.22 2.07 -1.01 -0.94 116.25 119.15 3eok h VAL 67 Ca 0.15 -0.38 -0.02 0.00 0.82 0.00 0.00 66.70 67.28 3eok h VAL 67 Cb 0.49 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 3eok h VAL 67 CO 0.02 0.18 0.18 -0.08 0.02 0.00 0.00 177.57 177.89 3eok h GLU 68 N 0.79 0.60 -0.93 1.57 4.81 -1.08 -0.64 114.58 119.70 3eok h GLU 68 Ca 0.21 -0.10 0.04 0.00 -0.13 0.00 0.00 59.36 59.38 3eok h GLU 68 Cb -0.02 -0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.20 3eok h GLU 68 CO -0.04 0.53 0.60 0.00 -0.73 0.00 0.00 179.01 179.38 3eok h ALA 69 N 1.03 1.23 -0.53 2.92 0.00 -1.14 -1.79 119.26 120.97 3eok h ALA 69 Ca 0.14 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 3eok h ALA 69 Cb 0.14 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3eok h ALA 69 CO -0.02 0.47 0.24 0.28 0.00 0.00 0.00 179.25 180.22 3eok h VAL 70 N 1.17 1.21 0.00 0.00 2.07 -0.58 -0.47 116.25 119.64 3eok h VAL 70 Ca 0.37 -0.61 0.00 0.00 0.82 0.00 0.00 66.70 67.28 3eok h VAL 70 Cb 0.00 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 30.40 3eok h VAL 70 CO -0.12 0.24 0.00 0.78 0.02 0.00 0.00 177.57 178.49 3eok h ASN 71 N 0.72 0.00 -0.91 0.57 2.35 -0.82 -2.50 115.58 114.99 3eok h ASN 71 Ca 0.18 0.00 -0.51 0.00 -0.55 0.00 0.00 56.30 55.42 3eok h ASN 71 Cb 0.15 0.00 -0.42 0.00 0.05 0.00 0.00 38.32 38.10 3eok h ASN 71 CO -0.02 0.00 -0.85 1.41 -1.65 0.00 0.00 177.43 176.32 3eok n HIS 72 N -2.87 2.65 0.18 1.19 8.25 -0.70 -4.92 115.22 119.00 3eok n HIS 72 Ca 0.00 -2.46 0.18 0.00 -0.26 0.00 0.00 57.72 55.18 3eok n HIS 72 Cb 0.24 -0.26 0.80 0.00 1.12 0.00 0.00 29.99 31.89 3eok n HIS 72 CO 0.00 0.00 0.00 -0.39 0.64 0.00 0.00 176.34 176.59 3eok h VAL 73 N 2.74 0.46 0.00 1.59 -1.51 -0.62 -1.58 116.25 117.34 3eok h VAL 73 Ca 0.27 0.00 -0.07 0.00 -1.23 0.00 0.00 66.70 65.67 3eok h VAL 73 Cb 1.34 0.80 -0.01 0.00 -2.13 0.00 0.00 31.29 31.28 3eok h VAL 73 CO 0.70 0.00 -0.31 0.44 -1.23 0.00 0.00 177.57 177.16 3eok h ASP 74 N 0.00 0.00 -2.30 4.19 3.32 -1.88 -3.37 116.42 116.37 3eok h ASP 74 Ca 0.11 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.58 3eok h ASP 74 Cb 0.63 0.00 -0.38 0.00 0.22 0.00 0.00 39.33 39.79 3eok h ASP 74 CO -0.00 0.31 -1.00 -0.67 -1.72 0.00 0.00 179.24 176.16 3eok n ASP 75 N -3.25 -0.38 0.05 6.45 2.03 -0.60 -4.99 116.55 115.87 3eok n ASP 75 Ca 0.02 -2.43 -0.06 0.00 0.52 0.00 0.00 54.79 52.84 3eok n ASP 75 Cb 0.60 -0.57 -0.11 0.00 -0.72 0.00 0.00 41.12 40.32 3eok n ASP 75 CO 0.00 0.00 0.00 0.16 -1.92 0.00 0.00 177.20 175.44 3eok h ILE 76 N 4.19 1.50 -0.74 5.18 3.07 -1.72 -2.83 117.51 126.16 3eok h ILE 76 Ca 0.24 -3.20 0.04 0.00 1.55 0.00 0.00 64.86 63.49 3eok h ILE 76 Cb 0.90 2.74 -0.04 0.00 -0.27 0.00 0.00 36.82 40.15 3eok h ILE 76 CO 0.39 0.86 0.49 0.00 -1.05 0.00 0.00 178.15 178.83 3eok h ALA 77 N 1.05 1.60 -0.21 0.16 0.00 -1.94 -0.65 119.26 119.27 3eok h ALA 77 Ca -0.05 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.69 3eok h ALA 77 Cb 1.77 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.33 3eok h ALA 77 CO 0.12 0.32 -0.41 0.78 0.00 0.00 0.00 179.25 180.05 3eok h GLY 78 N 0.87 0.71 2.00 0.00 0.00 -1.95 -2.15 103.07 102.54 3eok h GLY 78 Ca 0.30 -0.84 -0.03 0.00 0.00 0.00 0.00 47.33 46.76 3eok h GLY 78 CO -0.09 0.75 -0.15 0.00 0.00 0.00 0.00 176.54 177.05 3eok h ALA 79 N 0.61 1.63 -0.09 3.60 0.00 -1.16 -3.18 119.26 120.67 3eok h ALA 79 Ca 0.01 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3eok h ALA 79 Cb 1.01 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.78 3eok h ALA 79 CO 0.09 0.19 0.00 1.28 0.00 0.00 0.00 179.25 180.81 3eok n LEU 80 N -4.19 2.42 -0.15 0.00 4.77 -0.30 -4.82 117.00 114.73 3eok n LEU 80 Ca -0.02 -2.33 -0.03 0.00 -0.03 0.00 0.00 56.01 53.60 3eok n LEU 80 Cb 0.23 -0.19 0.05 0.00 -2.33 0.00 0.00 43.42 41.18 3eok n LEU 80 CO 0.35 0.61 0.82 -1.28 -1.33 0.00 0.00 177.39 176.55 3eok h SER 81 N 0.54 -0.30 -0.61 -1.43 0.87 -1.36 -0.49 113.55 110.77 3eok h SER 81 Ca 0.00 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 3eok h SER 81 Cb 0.74 0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 62.91 3eok h SER 81 CO 0.02 -0.11 0.39 0.11 -0.53 0.00 0.00 176.83 176.71 3eok h LYS 82 N 0.07 0.81 0.00 2.24 1.57 -1.87 -2.65 116.57 116.74 3eok h LYS 82 Ca 0.24 -0.06 -0.13 0.00 -1.87 0.00 0.00 60.65 58.84 3eok h LYS 82 Cb 0.37 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 3eok h LYS 82 CO -0.44 0.55 -0.61 -0.07 -0.57 0.00 0.00 179.45 178.31 3eok h LEU 83 N 0.83 0.00 -0.44 2.94 4.07 -1.51 -2.89 115.31 118.31 3eok h LEU 83 Ca 0.22 0.00 -0.08 0.00 0.08 0.00 0.00 57.88 58.10 3eok h LEU 83 Cb -0.07 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.66 3eok h LEU 83 CO -0.05 0.61 -0.06 0.28 -1.08 0.00 0.00 178.44 178.15 3eok h SER 84 N 0.00 0.81 -0.65 -0.43 0.02 -0.82 -1.21 113.55 111.27 3eok h SER 84 Ca -0.01 -0.34 0.00 0.00 -0.84 0.00 0.00 61.79 60.61 3eok h SER 84 Cb 1.10 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 63.39 3eok h SER 84 CO 0.08 0.96 0.42 0.44 -1.14 0.00 0.00 176.83 177.58 3eok h ASP 85 N 0.64 0.77 -0.05 3.07 3.32 -1.51 0.13 116.42 122.79 3eok h ASP 85 Ca 0.12 -0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.12 3eok h ASP 85 Cb 0.58 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.93 3eok h ASP 85 CO 0.03 0.58 0.02 0.25 -1.72 0.00 0.00 179.24 178.40 3eok h LEU 86 N 0.89 0.07 -0.11 1.55 5.85 -1.41 -0.70 115.31 121.45 3eok h LEU 86 Ca 0.24 -0.18 -0.24 0.00 0.84 0.00 0.00 57.88 58.54 3eok h LEU 86 Cb -0.07 -0.02 0.01 0.00 0.37 0.00 0.00 40.66 40.96 3eok h LEU 86 CO -0.05 0.23 -0.91 0.45 -0.34 0.00 0.00 178.44 177.82 3eok h HIS 87 N -0.09 0.97 0.07 1.25 3.86 -1.11 0.28 115.15 120.38 3eok h HIS 87 Ca 0.02 -0.48 -0.28 0.00 -1.16 0.00 0.00 60.37 58.46 3eok h HIS 87 Cb 0.18 -0.13 -0.02 0.00 1.06 0.00 0.00 27.41 28.51 3eok h HIS 87 CO -0.01 1.31 -1.51 0.00 0.86 0.00 0.00 177.93 178.58 3eok h ALA 88 N 0.54 0.29 0.09 2.45 0.00 -0.69 -1.35 119.26 120.59 3eok h ALA 88 Ca -0.09 -1.22 -0.22 0.00 0.00 0.00 0.00 54.91 53.39 3eok h ALA 88 Cb 1.55 0.64 -0.00 0.00 0.00 0.00 0.00 17.79 19.98 3eok h ALA 88 CO 0.18 0.92 -1.08 1.96 0.00 0.00 0.00 179.25 181.22 3eok h GLN 89 N -0.47 0.19 0.00 0.00 7.50 -1.25 -3.30 115.11 117.78 3eok h GLN 89 Ca -0.35 -0.32 -0.11 0.00 0.50 0.00 0.00 58.65 58.37 3eok h GLN 89 Cb 1.66 0.12 -0.02 0.00 0.05 0.00 0.00 27.48 29.29 3eok h GLN 89 CO -0.04 1.15 -0.82 -0.22 -1.50 0.00 0.00 178.83 177.41 3eok h LYS 90 N -0.50 0.00 0.00 1.46 3.64 -1.30 -3.40 116.57 116.46 3eok h LYS 90 Ca -0.24 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 58.97 3eok h LYS 90 Cb 1.57 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.37 3eok h LYS 90 CO 0.03 0.49 -0.97 -0.07 -2.27 0.00 0.00 179.45 176.66 3eok h LEU 91 N -1.00 0.00 -1.86 5.20 3.38 -1.07 -3.48 115.31 116.48 3eok h LEU 91 Ca -0.16 0.00 -0.45 0.00 0.09 0.00 0.00 57.88 57.36 3eok h LEU 91 Cb 0.87 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.64 3eok h LEU 91 CO -0.10 0.71 -0.85 0.54 0.09 0.00 0.00 178.44 178.83 3eok n ARG 92 N -3.17 -4.27 -1.96 1.13 1.74 -0.56 -4.88 116.66 104.69 3eok n ARG 92 Ca -0.03 0.54 -0.42 0.00 -0.77 0.00 0.00 57.85 57.17 3eok n ARG 92 Cb 0.85 -4.94 -0.03 0.00 -1.02 0.00 0.00 32.46 27.33 3eok n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3eok s VAL 93 N -3.77 3.17 0.02 1.55 1.01 -0.90 -4.95 120.40 116.53 3eok s VAL 93 Ca 0.01 0.57 -0.34 0.00 0.00 0.00 0.00 61.98 62.21 3eok s VAL 93 Cb -0.00 -3.36 -0.13 0.00 0.00 0.00 0.00 36.38 32.88 3eok s VAL 93 CO 0.84 -0.01 1.73 -0.67 0.00 0.00 0.00 175.10 176.99 3eok n ASP 94 N 5.77 3.24 -0.32 3.32 -0.08 -1.26 -4.88 116.55 122.33 3eok n ASP 94 Ca 0.16 1.03 0.18 0.00 -1.51 0.00 0.00 54.79 54.64 3eok n ASP 94 Cb 0.41 -1.39 0.36 0.00 2.34 0.00 0.00 41.12 42.84 3eok n ASP 94 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3eok h PRO 95 N 7.63 0.11 -1.14 -0.67 0.11 -1.98 -0.02 132.00 136.03 3eok h PRO 95 Ca -0.47 -0.01 0.32 0.00 0.11 0.00 0.00 66.00 65.96 3eok h PRO 95 Cb 1.27 -0.03 -0.07 0.00 0.11 0.00 0.00 31.00 32.28 3eok h PRO 95 CO 0.92 0.07 0.79 0.28 -0.21 0.00 0.00 178.00 179.85 3eok h VAL 96 N 0.11 0.43 0.00 3.15 2.07 -2.02 -0.58 116.25 119.42 3eok h VAL 96 Ca 0.64 -0.05 -0.05 0.00 0.82 0.00 0.00 66.70 68.06 3eok h VAL 96 Cb 1.41 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.45 3eok h VAL 96 CO -0.76 0.03 -0.24 0.78 0.02 0.00 0.00 177.57 177.40 3eok h ASN 97 N 0.14 0.00 0.42 0.57 4.21 -1.36 -2.71 115.58 116.85 3eok h ASN 97 Ca 0.59 0.00 -0.12 0.00 1.21 0.00 0.00 56.30 57.98 3eok h ASN 97 Cb 2.02 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 39.20 3eok h ASN 97 CO -0.13 0.24 -0.51 -0.26 -1.29 0.00 0.00 177.43 175.48 3eok h PHE 98 N 0.00 0.13 -0.50 1.19 -1.00 -1.26 -2.56 116.94 112.95 3eok h PHE 98 Ca -0.00 -0.04 -0.09 0.00 2.81 0.00 0.00 57.97 60.65 3eok h PHE 98 Cb 0.60 -0.03 -0.02 0.00 3.61 0.00 0.00 35.95 40.11 3eok h PHE 98 CO 0.00 0.60 -0.03 0.87 -1.61 0.00 0.00 178.31 178.14 3eok h LYS 99 N 0.09 0.90 -0.27 1.51 1.57 -1.55 -1.80 116.57 117.02 3eok h LYS 99 Ca 0.00 -0.30 0.00 0.00 -1.87 0.00 0.00 60.65 58.48 3eok h LYS 99 Cb 0.94 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.16 3eok h LYS 99 CO 0.07 0.95 0.17 0.74 -0.57 0.00 0.00 179.45 180.81 3eok h PHE 100 N 0.76 0.34 -0.43 -1.35 0.04 -1.35 -1.63 116.94 113.32 3eok h PHE 100 Ca 0.14 0.01 -0.13 0.00 2.80 0.00 0.00 57.97 60.79 3eok h PHE 100 Cb 0.56 -0.11 -0.01 0.00 2.20 0.00 0.00 35.95 38.59 3eok h PHE 100 CO 0.04 0.22 -0.23 1.25 -0.60 0.00 0.00 178.31 178.99 3eok h LEU 101 N 0.36 0.95 -0.56 1.54 5.85 -1.48 -1.73 115.31 120.23 3eok h LEU 101 Ca 0.10 -0.41 0.01 0.00 0.84 0.00 0.00 57.88 58.42 3eok h LEU 101 Cb -0.03 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.71 3eok h LEU 101 CO -0.02 1.15 0.36 1.23 -0.34 0.00 0.00 178.44 180.82 3eok h GLY 102 N 0.74 0.78 0.97 3.75 0.00 -1.27 -0.72 103.07 107.33 3eok h GLY 102 Ca 0.09 -0.28 -0.02 0.00 0.00 0.00 0.00 47.33 47.13 3eok h GLY 102 CO 0.07 0.27 0.25 0.84 0.00 0.00 0.00 176.54 177.96 3eok h HIS 103 N 0.73 0.69 -0.52 5.60 -0.00 -1.16 -2.21 115.15 118.29 3eok h HIS 103 Ca 0.21 -0.03 -0.07 0.00 -0.00 0.00 0.00 60.37 60.48 3eok h HIS 103 Cb -0.06 -0.22 -0.02 0.00 -0.00 0.00 0.00 27.41 27.11 3eok h HIS 103 CO -0.04 0.54 0.05 0.00 -0.00 0.00 0.00 177.93 178.48 3eok h PHE 105 N 0.79 0.25 -0.90 0.00 3.57 -1.00 -1.38 116.94 118.28 3eok h PHE 105 Ca 0.16 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.69 3eok h PHE 105 Cb 0.40 -0.08 -0.05 0.00 2.79 0.00 0.00 35.95 39.00 3eok h PHE 105 CO 0.02 0.16 0.59 -0.07 -2.23 0.00 0.00 178.31 176.78 3eok h LEU 106 N 0.27 0.99 -0.48 0.59 3.38 -1.09 -0.47 115.31 118.50 3eok h LEU 106 Ca 0.07 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.05 3eok h LEU 106 Cb -0.03 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 3eok h LEU 106 CO -0.02 0.70 0.29 0.58 0.09 0.00 0.00 178.44 180.07 3eok h VAL 107 N 1.16 1.05 -0.52 1.22 2.07 -1.09 -1.06 116.25 119.07 3eok h VAL 107 Ca 0.34 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.65 3eok h VAL 107 Cb -0.05 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.13 3eok h VAL 107 CO -0.09 0.10 0.27 0.58 0.02 0.00 0.00 177.57 178.45 3eok h VAL 108 N 0.57 1.19 -0.31 2.57 2.07 -0.23 -1.49 116.25 120.62 3eok h VAL 108 Ca 0.19 -0.50 0.02 0.00 0.82 0.00 0.00 66.70 67.23 3eok h VAL 108 Cb 0.02 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.32 3eok h VAL 108 CO -0.09 0.20 0.16 0.58 0.02 0.00 0.00 177.57 178.45 3eok h VAL 109 N 0.70 1.00 -0.93 2.57 2.07 -0.98 -2.49 116.25 118.20 3eok h VAL 109 Ca 0.18 -0.12 -0.00 0.00 0.82 0.00 0.00 66.70 67.59 3eok h VAL 109 Cb 0.08 0.64 -0.05 0.00 -1.52 0.00 0.00 31.29 30.44 3eok h VAL 109 CO -0.03 0.06 0.57 0.00 0.02 0.00 0.00 177.57 178.20 3eok h ALA 110 N 1.15 1.27 -0.52 1.67 0.00 -0.96 0.24 119.26 122.11 3eok h ALA 110 Ca 0.13 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 3eok h ALA 110 Cb 0.03 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 3eok h ALA 110 CO -0.08 0.64 0.19 0.82 0.00 0.00 0.00 179.25 180.82 3eok h ILE 111 N 1.27 1.22 0.00 0.00 2.04 -1.08 -2.90 117.51 118.07 3eok h ILE 111 Ca 0.33 -0.72 -0.24 0.00 1.00 0.00 0.00 64.86 65.24 3eok h ILE 111 Cb -0.08 0.72 -0.04 0.00 -0.74 0.00 0.00 36.82 36.67 3eok h ILE 111 CO -0.07 0.27 -1.78 1.41 0.00 0.00 0.00 178.15 177.99 3eok n HIS 112 N -4.51 0.68 -3.18 1.37 8.25 -0.96 -4.55 115.22 112.33 3eok n HIS 112 Ca 0.02 0.24 -0.19 0.00 -0.26 0.00 0.00 57.72 57.53 3eok n HIS 112 Cb 0.17 -1.05 -0.03 0.00 1.12 0.00 0.00 29.99 30.20 3eok n HIS 112 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3eok n HIS 113 N -2.86 0.36 -0.20 4.41 8.25 0.82 -4.99 115.22 121.02 3eok n HIS 113 Ca -0.17 -3.82 -0.01 0.00 -0.26 0.00 0.00 57.72 53.46 3eok n HIS 113 Cb 0.96 -0.42 0.20 0.00 1.12 0.00 0.00 29.99 31.85 3eok n HIS 113 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3eok h PRO 114 N 3.06 0.97 0.00 -0.41 0.13 -1.65 -2.42 132.00 131.68 3eok h PRO 114 Ca 0.10 -0.11 -0.02 0.00 -0.87 0.00 0.00 66.00 65.10 3eok h PRO 114 Cb 0.94 -0.19 -0.00 0.00 0.13 0.00 0.00 31.00 31.88 3eok h PRO 114 CO 0.52 0.73 -0.09 0.00 -0.23 0.00 0.00 178.00 178.92 3eok h ALA 115 N 1.43 1.07 0.00 -0.56 0.00 -1.94 -2.93 119.26 116.33 3eok h ALA 115 Ca 0.24 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 3eok h ALA 115 Cb 0.05 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3eok h ALA 115 CO -0.04 0.11 -0.75 0.00 0.00 0.00 0.00 179.25 178.57 3eok h ALA 116 N 1.91 0.69 -1.30 0.00 0.00 -1.83 -3.38 119.26 115.36 3eok h ALA 116 Ca -0.00 -0.41 -0.78 0.00 0.00 0.00 0.00 54.91 53.71 3eok h ALA 116 Cb 0.49 0.04 -0.22 0.00 0.00 0.00 0.00 17.79 18.10 3eok h ALA 116 CO 0.01 0.50 1.44 -0.11 0.00 0.00 0.00 179.25 181.09 3eok n LEU 117 N -3.02 6.98 -4.74 0.00 7.94 -1.11 -4.82 117.00 118.22 3eok n LEU 117 Ca -0.01 -5.05 -0.31 0.00 -1.11 0.00 0.00 56.01 49.53 3eok n LEU 117 Cb 0.70 -1.32 0.11 0.00 0.53 0.00 0.00 43.42 43.44 3eok n LEU 117 CO 0.40 1.76 0.69 0.42 -1.11 0.00 0.00 177.39 179.54 3eok s THR 118 N -2.04 3.03 0.29 1.96 -4.23 -1.26 -4.69 115.64 108.69 3eok s THR 118 Ca 0.39 0.33 0.03 0.00 -1.18 0.00 0.00 61.69 61.26 3eok s THR 118 Cb 0.11 -2.77 0.28 0.00 1.34 0.00 0.00 72.50 71.47 3eok s THR 118 CO -0.00 -0.44 1.74 -0.65 -0.54 0.00 0.00 174.62 174.73 3eok h PRO 119 N -1.33 0.56 -0.21 3.99 0.11 -1.97 0.23 132.00 133.38 3eok h PRO 119 Ca -0.45 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 3eok h PRO 119 Cb 1.25 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 3eok h PRO 119 CO 0.51 0.37 0.08 0.93 -0.21 0.00 0.00 178.00 179.68 3eok h GLU 120 N 0.57 0.31 -0.73 1.05 5.08 -1.98 -0.78 114.58 118.11 3eok h GLU 120 Ca 0.54 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.79 3eok h GLU 120 Cb 0.91 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.08 3eok h GLU 120 CO -0.44 0.37 0.22 0.28 -1.00 0.00 0.00 179.01 178.44 3eok h VAL 121 N 0.18 1.26 -0.20 3.13 2.07 -1.65 -2.48 116.25 118.57 3eok h VAL 121 Ca 0.07 -0.92 0.06 0.00 0.82 0.00 0.00 66.70 66.72 3eok h VAL 121 Cb 0.17 0.48 -0.07 0.00 -1.52 0.00 0.00 31.29 30.35 3eok h VAL 121 CO -0.01 0.36 -0.30 -0.74 0.02 0.00 0.00 177.57 176.91 3eok h HIS 122 N 1.08 -0.81 -0.92 1.57 -0.00 -0.28 0.75 115.15 116.54 3eok h HIS 122 Ca 0.23 0.04 0.05 0.00 -0.00 0.00 0.00 60.37 60.69 3eok h HIS 122 Cb 0.32 0.39 -0.06 0.00 -0.00 0.00 0.00 27.41 28.06 3eok h HIS 122 CO 0.03 -0.37 0.59 0.00 -0.00 0.00 0.00 177.93 178.17 3eok h ALA 123 N 0.57 1.24 -0.33 5.26 0.00 -0.97 -0.85 119.26 124.19 3eok h ALA 123 Ca 0.12 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 3eok h ALA 123 Cb 0.52 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3eok h ALA 123 CO -0.39 0.41 -0.13 0.77 0.00 0.00 0.00 179.25 179.91 3eok h SER 124 N 1.11 0.68 0.01 0.00 0.02 -1.14 -2.60 113.55 111.63 3eok h SER 124 Ca 0.38 -0.39 -0.09 0.00 -0.84 0.00 0.00 61.79 60.85 3eok h SER 124 Cb 0.08 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.42 3eok h SER 124 CO -0.14 0.92 -0.25 0.25 -1.14 0.00 0.00 176.83 176.47 3eok h LEU 125 N 0.44 0.38 -0.31 5.07 6.46 -0.47 -1.10 115.31 125.79 3eok h LEU 125 Ca 0.08 -0.12 -0.05 0.00 -0.12 0.00 0.00 57.88 57.67 3eok h LEU 125 Cb 0.64 -0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 40.46 3eok h LEU 125 CO 0.04 0.64 0.02 -0.78 -0.62 0.00 0.00 178.44 177.74 3eok h ASP 126 N 0.34 0.53 -0.70 1.25 3.58 -1.15 -1.24 116.42 119.02 3eok h ASP 126 Ca 0.05 -0.29 0.02 0.00 0.42 0.00 0.00 57.03 57.23 3eok h ASP 126 Cb 0.63 -0.14 -0.04 0.00 1.72 0.00 0.00 39.33 41.50 3eok h ASP 126 CO 0.04 0.69 0.45 0.11 -2.88 0.00 0.00 179.24 177.66 3eok h LYS 127 N 0.35 0.88 -0.06 0.28 1.57 -1.24 -0.95 116.57 117.40 3eok h LYS 127 Ca 0.09 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3eok h LYS 127 Cb 0.41 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.52 3eok h LYS 127 CO 0.01 0.58 0.03 0.35 -0.57 0.00 0.00 179.45 179.86 3eok h PHE 128 N 0.91 0.07 -0.64 -1.35 3.57 -1.07 0.19 116.94 118.62 3eok h PHE 128 Ca 0.27 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.74 3eok h PHE 128 Cb -0.05 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.64 3eok h PHE 128 CO -0.03 0.08 0.27 0.52 -2.23 0.00 0.00 178.31 176.92 3eok h MET 129 N 0.05 0.93 -0.62 1.11 2.86 -1.06 0.42 114.93 118.62 3eok h MET 129 Ca 0.02 -0.14 -0.02 0.00 -2.06 0.00 0.00 59.70 57.50 3eok h MET 129 Cb 0.03 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 31.49 3eok h MET 129 CO -0.00 0.75 0.31 0.00 1.06 0.00 0.00 176.91 179.02 3eok h ALA 131 N 1.14 0.36 -0.59 0.00 0.00 0.04 -1.38 119.26 118.84 3eok h ALA 131 Ca 0.21 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.06 3eok h ALA 131 Cb 0.10 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3eok h ALA 131 CO -0.03 -0.10 0.39 0.28 0.00 0.00 0.00 179.25 179.78 3eok h VAL 132 N 0.33 1.14 -0.49 0.00 2.07 -0.83 -2.39 116.25 116.08 3eok h VAL 132 Ca 0.10 -0.27 0.09 0.00 0.82 0.00 0.00 66.70 67.44 3eok h VAL 132 Cb 0.08 0.29 -0.08 0.00 -1.52 0.00 0.00 31.29 30.06 3eok h VAL 132 CO -0.01 0.14 0.03 1.23 0.02 0.00 0.00 177.57 178.97 3eok h GLY 133 N 0.78 0.53 1.55 2.17 0.00 -0.51 -1.63 103.07 105.96 3eok h GLY 133 Ca 0.22 0.04 -0.13 0.00 0.00 0.00 0.00 47.33 47.46 3eok h GLY 133 CO -0.05 -0.12 -0.43 0.00 0.00 0.00 0.00 176.54 175.93 3eok h ALA 134 N 1.42 0.87 -0.38 3.60 0.00 -1.02 -2.39 119.26 121.37 3eok h ALA 134 Ca 0.25 -0.45 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 3eok h ALA 134 Cb 0.36 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3eok h ALA 134 CO -0.39 0.65 0.09 0.28 0.00 0.00 0.00 179.25 179.87 3eok h VAL 135 N 0.40 1.23 0.00 0.00 2.07 -1.18 -2.56 116.25 116.22 3eok h VAL 135 Ca 0.03 -0.79 0.00 0.00 0.82 0.00 0.00 66.70 66.76 3eok h VAL 135 Cb 0.93 1.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.72 3eok h VAL 135 CO 0.08 0.27 0.00 0.18 0.02 0.00 0.00 177.57 178.12 3eok n LEU 136 N -4.58 0.06 -0.64 2.57 4.77 -0.64 -2.19 117.00 116.36 3eok n LEU 136 Ca -0.01 0.51 0.06 0.00 -0.03 0.00 0.00 56.01 56.54 3eok n LEU 136 Cb 0.21 -0.50 0.18 0.00 -2.33 0.00 0.00 43.42 40.98 3eok n LEU 136 CO 0.38 -0.14 0.64 0.35 -1.33 0.00 0.00 177.39 177.30 3eok n THR 137 N -1.56 1.51 0.00 -5.08 -2.24 -0.92 -3.18 114.28 102.80 3eok n THR 137 Ca 0.05 -1.38 0.00 0.00 -2.27 0.00 0.00 64.05 60.45 3eok n THR 137 Cb 0.27 0.19 0.00 0.00 -2.10 0.00 0.00 70.33 68.69 3eok n THR 137 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3eok n ALA 138 N -0.04 -0.16 0.00 6.98 0.00 -0.93 -4.10 120.51 122.27 3eok n ALA 138 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 3eok n ALA 138 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 3eok n ALA 138 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3eok n LYS 139 N -1.26 0.00 -1.58 0.00 5.02 -1.26 -4.77 118.16 114.31 3eok n LYS 139 Ca 0.00 0.00 -0.50 0.00 -2.02 0.00 0.00 58.31 55.79 3eok n LYS 139 Cb 0.00 -1.08 -0.05 0.00 -0.02 0.00 0.00 35.03 33.89 3eok n LYS 139 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3eok n TYR 140 N -0.56 1.30 -0.79 2.13 0.53 -1.26 -4.91 117.16 113.60 3eok n TYR 140 Ca 0.00 0.68 0.00 0.00 -1.02 0.00 0.00 57.90 57.56 3eok n TYR 140 Cb 0.00 -2.28 0.00 0.00 -1.03 0.00 0.00 39.34 36.03 3eok n TYR 140 CO 0.00 0.00 0.00 0.54 -1.02 0.00 0.00 176.86 176.38