#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cpw h VAL 2 N 0.00 0.09 -3.55 1.08 2.07 -2.04 -3.26 116.25 110.64 3cpw h VAL 2 Ca 0.00 0.00 -0.67 0.00 0.82 0.00 0.00 66.70 66.85 3cpw h VAL 2 Cb 0.00 0.14 -0.31 0.00 -1.52 0.00 0.00 31.29 29.59 3cpw h VAL 2 CO 0.00 0.00 -0.73 -0.22 0.02 0.00 0.00 177.57 176.64 3cpw s LEU 3 N -7.11 3.34 0.35 2.57 2.96 -1.26 -5.11 118.68 114.41 3cpw s LEU 3 Ca -0.04 -0.90 0.05 0.00 -0.22 0.00 0.00 54.13 53.03 3cpw s LEU 3 Cb 0.18 -1.69 -0.01 0.00 0.50 0.00 0.00 46.19 45.17 3cpw s LEU 3 CO 0.61 -0.15 0.50 -1.00 -1.32 0.00 0.00 176.35 174.99 3cpw s HIS 4 N 1.33 3.16 0.22 5.38 3.76 -1.23 -5.01 115.29 122.90 3cpw s HIS 4 Ca -0.00 -0.12 -0.07 0.00 -0.15 0.00 0.00 55.06 54.71 3cpw s HIS 4 Cb -0.17 -2.02 0.18 0.00 1.11 0.00 0.00 32.58 31.68 3cpw s HIS 4 CO -0.03 -0.04 1.80 0.28 -0.85 0.00 0.00 174.74 175.90 3cpw h VAL 5 N 0.82 1.26 -0.11 -0.90 2.07 -1.99 -2.65 116.25 114.75 3cpw h VAL 5 Ca -0.46 -0.78 0.01 0.00 0.82 0.00 0.00 66.70 66.29 3cpw h VAL 5 Cb 1.25 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 3cpw h VAL 5 CO 0.54 0.33 0.01 1.56 0.02 0.00 0.00 177.57 180.03 3cpw h GLN 6 N 1.20 0.05 -1.00 1.57 4.20 -1.98 -0.61 115.11 118.54 3cpw h GLN 6 Ca 0.28 -0.00 0.13 0.00 0.06 0.00 0.00 58.65 59.12 3cpw h GLN 6 Cb 0.16 -0.01 -0.09 0.00 0.30 0.00 0.00 27.48 27.84 3cpw h GLN 6 CO -0.03 0.03 0.63 0.93 -0.67 0.00 0.00 178.83 179.72 3cpw h GLU 7 N 0.05 0.92 -0.53 1.46 5.08 -1.93 0.26 114.58 119.89 3cpw h GLU 7 Ca 0.05 -0.06 -0.11 0.00 -1.00 0.00 0.00 59.36 58.24 3cpw h GLU 7 Cb 0.05 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 3cpw h GLU 7 CO -0.07 0.61 -0.09 0.82 -1.00 0.00 0.00 179.01 179.28 3cpw h ILE 8 N 0.95 1.27 0.00 3.13 2.04 -1.04 -2.72 117.51 121.14 3cpw h ILE 8 Ca 0.51 -1.24 -0.02 0.00 1.00 0.00 0.00 64.86 65.11 3cpw h ILE 8 Cb 0.56 0.98 -0.00 0.00 -0.74 0.00 0.00 36.82 37.62 3cpw h ILE 8 CO -0.28 0.44 -0.11 0.03 0.00 0.00 0.00 178.15 178.22 3cpw h ARG 9 N 0.87 0.00 -0.00 2.37 3.08 0.55 -2.77 114.38 118.48 3cpw h ARG 9 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.19 3cpw h ARG 9 Cb 0.66 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.71 3cpw h ARG 9 CO 0.05 0.11 -0.10 -0.25 -1.07 0.00 0.00 179.97 178.71 3cpw n ASP 10 N -3.22 0.35 -4.92 7.04 8.00 0.72 -4.83 116.55 119.69 3cpw n ASP 10 Ca 0.01 -0.42 -0.27 0.00 0.71 0.00 0.00 54.79 54.82 3cpw n ASP 10 Cb 0.41 -0.12 0.04 0.00 -0.02 0.00 0.00 41.12 41.42 3cpw n ASP 10 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 3cpw s MET 11 N -2.54 2.83 0.35 -1.24 -1.94 -1.05 -5.07 119.30 110.64 3cpw s MET 11 Ca 0.27 0.01 0.03 0.00 -1.71 0.00 0.00 55.69 54.29 3cpw s MET 11 Cb 0.20 -2.24 -0.02 0.00 2.01 0.00 0.00 34.83 34.78 3cpw s MET 11 CO 0.48 -0.79 0.51 -0.08 -0.01 0.00 0.00 175.02 175.14 3cpw s THR 12 N -3.05 4.51 0.46 2.05 -1.32 -1.26 -4.92 115.64 112.11 3cpw s THR 12 Ca 0.55 -0.76 0.26 0.00 -1.21 0.00 0.00 61.69 60.52 3cpw s THR 12 Cb -0.11 -3.61 0.45 0.00 -1.51 0.00 0.00 72.50 67.72 3cpw s THR 12 CO 0.46 -0.32 1.79 -0.65 -2.21 0.00 0.00 174.62 173.69 3cpw h PRO 13 N 0.80 0.22 0.00 7.08 0.11 -1.97 0.16 132.00 138.40 3cpw h PRO 13 Ca -0.48 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.55 3cpw h PRO 13 Cb 1.24 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 3cpw h PRO 13 CO 0.57 0.15 -0.30 0.00 -0.21 0.00 0.00 178.00 178.21 3cpw h ALA 14 N 1.55 0.84 0.01 -0.75 0.00 -1.93 -3.09 119.26 115.89 3cpw h ALA 14 Ca 0.58 -0.27 -0.23 0.00 0.00 0.00 0.00 54.91 54.98 3cpw h ALA 14 Cb 1.79 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.50 3cpw h ALA 14 CO -0.18 0.37 -1.18 0.93 0.00 0.00 0.00 179.25 179.19 3cpw h GLU 15 N 0.00 0.03 -0.19 0.00 5.08 -1.05 -2.65 114.58 115.79 3cpw h GLU 15 Ca -0.00 -0.05 -0.17 0.00 -1.00 0.00 0.00 59.36 58.13 3cpw h GLU 15 Cb 1.12 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.39 3cpw h GLU 15 CO 0.04 0.92 -0.60 0.00 -1.00 0.00 0.00 179.01 178.37 3cpw h ARG 16 N 0.01 0.62 -0.29 2.33 3.08 -1.48 0.50 114.38 119.14 3cpw h ARG 16 Ca -0.08 -0.42 -0.14 0.00 0.07 0.00 0.00 59.98 59.41 3cpw h ARG 16 Cb 1.84 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 31.94 3cpw h ARG 16 CO 0.13 1.04 -0.37 0.93 -1.07 0.00 0.00 179.97 180.62 3cpw h GLU 17 N 0.47 0.68 -0.15 0.04 5.08 -1.60 0.53 114.58 119.62 3cpw h GLU 17 Ca -0.00 -0.34 -0.17 0.00 -1.00 0.00 0.00 59.36 57.85 3cpw h GLU 17 Cb 1.17 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.41 3cpw h GLU 17 CO 0.12 0.94 -0.63 0.00 -1.00 0.00 0.00 179.01 178.44 3cpw h ALA 18 N 1.02 0.62 -0.02 3.43 0.00 -1.30 -2.12 119.26 120.89 3cpw h ALA 18 Ca 0.05 -0.55 -0.12 0.00 0.00 0.00 0.00 54.91 54.29 3cpw h ALA 18 Cb 0.90 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 3cpw h ALA 18 CO 0.08 0.71 -0.55 1.49 0.00 0.00 0.00 179.25 180.98 3cpw h GLU 19 N 0.40 0.07 0.23 0.00 4.57 0.35 -2.22 114.58 117.98 3cpw h GLU 19 Ca -0.01 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.12 3cpw h GLU 19 Cb 1.19 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.79 3cpw h GLU 19 CO 0.12 0.60 -0.11 1.25 -1.18 0.00 0.00 179.01 179.68 3cpw h LEU 20 N 0.05 -0.26 -1.80 1.64 5.85 0.21 -1.60 115.31 119.41 3cpw h LEU 20 Ca -0.00 -0.27 0.06 0.00 0.84 0.00 0.00 57.88 58.51 3cpw h LEU 20 Cb 0.98 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 42.06 3cpw h LEU 20 CO 0.07 0.24 0.26 0.44 -0.34 0.00 0.00 178.44 179.11 3cpw h ASP 21 N -0.87 0.22 -0.01 1.25 3.32 -1.43 0.12 116.42 119.01 3cpw h ASP 21 Ca -0.03 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.02 3cpw h ASP 21 Cb 0.51 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 40.01 3cpw h ASP 21 CO 0.05 0.14 -0.00 0.44 -1.72 0.00 0.00 179.24 178.15 3cpw h ASP 22 N 0.25 0.03 -0.48 6.45 3.32 -1.36 -2.67 116.42 121.95 3cpw h ASP 22 Ca 0.17 -0.32 -0.03 0.00 0.02 0.00 0.00 57.03 56.86 3cpw h ASP 22 Cb 0.36 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.88 3cpw h ASP 22 CO -0.03 0.34 0.17 -0.07 -1.72 0.00 0.00 179.24 177.93 3cpw h LEU 23 N -0.29 0.69 -1.16 1.55 3.38 -0.30 -2.46 115.31 116.72 3cpw h LEU 23 Ca 0.00 -0.19 0.13 0.00 0.09 0.00 0.00 57.88 57.91 3cpw h LEU 23 Cb 0.33 -0.18 -0.08 0.00 0.09 0.00 0.00 40.66 40.82 3cpw h LEU 23 CO 0.00 0.70 0.60 0.11 0.09 0.00 0.00 178.44 179.94 3cpw h LYS 24 N 0.64 0.81 -0.12 1.13 1.57 -0.80 -0.92 116.57 118.88 3cpw h LYS 24 Ca 0.16 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.86 3cpw h LYS 24 Cb 0.24 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.37 3cpw h LYS 24 CO -0.01 0.53 -0.04 1.15 -0.57 0.00 0.00 179.45 180.52 3cpw h THR 25 N 0.83 1.30 -0.74 -0.16 2.02 -1.14 0.30 112.91 115.33 3cpw h THR 25 Ca 0.47 -1.01 0.06 0.00 0.77 0.00 0.00 66.41 66.70 3cpw h THR 25 Cb 0.61 1.72 -0.05 0.00 -1.74 0.00 0.00 68.15 68.70 3cpw h THR 25 CO -0.23 0.29 0.48 -0.08 0.37 0.00 0.00 175.52 176.35 3cpw h GLU 26 N -0.09 0.75 0.27 6.66 4.81 -0.93 0.27 114.58 126.32 3cpw h GLU 26 Ca 0.03 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 3cpw h GLU 26 Cb 0.47 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.69 3cpw h GLU 26 CO 0.01 0.50 -0.13 1.25 -0.73 0.00 0.00 179.01 179.91 3cpw h LEU 27 N 0.77 -0.30 -0.74 1.64 5.85 -0.97 -1.10 115.31 120.46 3cpw h LEU 27 Ca 0.32 -0.17 0.08 0.00 0.84 0.00 0.00 57.88 58.95 3cpw h LEU 27 Cb 0.26 0.08 -0.07 0.00 0.37 0.00 0.00 40.66 41.30 3cpw h LEU 27 CO -0.11 0.02 0.40 0.25 -0.34 0.00 0.00 178.44 178.66 3cpw h LEU 28 N -0.65 0.57 -1.70 2.25 5.85 -0.23 0.18 115.31 121.59 3cpw h LEU 28 Ca -0.04 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 3cpw h LEU 28 Cb 0.46 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.42 3cpw h LEU 28 CO 0.06 0.34 -0.09 0.78 -0.34 0.00 0.00 178.44 179.19 3cpw h ASN 29 N 0.70 0.00 0.11 1.25 2.35 -0.40 -0.99 115.58 118.61 3cpw h ASN 29 Ca 0.35 0.00 -0.22 0.00 -0.55 0.00 0.00 56.30 55.88 3cpw h ASN 29 Cb 0.30 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.69 3cpw h ASN 29 CO -0.23 0.09 -0.92 0.00 -1.65 0.00 0.00 177.43 174.72 3cpw h ALA 30 N 1.91 -0.04 -0.12 -0.83 0.00 0.59 -2.79 119.26 117.98 3cpw h ALA 30 Ca -0.00 -0.70 -0.06 0.00 0.00 0.00 0.00 54.91 54.15 3cpw h ALA 30 Cb 0.45 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3cpw h ALA 30 CO 0.01 0.46 -0.20 0.00 0.00 0.00 0.00 179.25 179.53 3cpw h ARG 31 N -0.12 0.19 -0.15 0.00 3.08 -0.60 -0.01 114.38 116.78 3cpw h ARG 31 Ca -0.15 -0.05 -0.06 0.00 0.07 0.00 0.00 59.98 59.79 3cpw h ARG 31 Cb 1.67 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 31.70 3cpw h ARG 31 CO 0.18 0.39 -0.15 0.00 -1.07 0.00 0.00 179.97 179.32 3cpw h ALA 32 N 1.62 0.22 -0.47 0.04 0.00 -1.24 0.27 119.26 119.69 3cpw h ALA 32 Ca 0.03 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 3cpw h ALA 32 Cb 0.46 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3cpw h ALA 32 CO 0.03 0.10 0.21 0.28 0.00 0.00 0.00 179.25 179.87 3cpw h VAL 33 N -0.01 1.17 -0.17 0.00 2.07 -1.19 -1.31 116.25 116.80 3cpw h VAL 33 Ca 0.02 -0.50 -0.19 0.00 0.82 0.00 0.00 66.70 66.85 3cpw h VAL 33 Cb 0.68 0.58 0.01 0.00 -1.52 0.00 0.00 31.29 31.04 3cpw h VAL 33 CO 0.04 0.20 -0.63 -0.61 0.02 0.00 0.00 177.57 176.58 3cpw h GLN 34 N 0.67 0.73 0.00 1.57 4.15 -0.79 0.49 115.11 121.92 3cpw h GLN 34 Ca 0.17 -0.56 -0.02 0.00 0.77 0.00 0.00 58.65 59.00 3cpw h GLN 34 Cb 0.10 0.10 -0.00 0.00 0.21 0.00 0.00 27.48 27.89 3cpw h GLN 34 CO -0.02 1.18 -0.12 0.00 -1.93 0.00 0.00 178.83 177.94 3cpw h ALA 35 N 0.56 1.59 -0.38 3.38 0.00 0.10 -0.48 119.26 124.03 3cpw h ALA 35 Ca -0.03 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3cpw h ALA 35 Cb 1.26 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3cpw h ALA 35 CO 0.13 0.15 0.00 0.00 0.00 0.00 0.00 179.25 179.53 3cpw n ALA 36 N -2.42 2.58 -1.22 0.00 0.00 -0.55 -4.88 120.51 114.03 3cpw n ALA 36 Ca -0.02 -0.75 -0.08 0.00 0.00 0.00 0.00 53.44 52.59 3cpw n ALA 36 Cb 0.20 -0.99 -0.03 0.00 0.00 0.00 0.00 19.45 18.63 3cpw n ALA 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cpw n GLY 37 N 0.98 0.91 3.71 0.00 0.00 -0.19 -4.94 105.19 105.67 3cpw n GLY 37 Ca 0.13 -0.34 -0.43 0.00 0.00 0.00 0.00 46.02 45.39 3cpw n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cpw n GLY 38 N -1.34 1.40 0.08 -0.02 0.00 0.17 -4.92 105.19 100.56 3cpw n GLY 38 Ca -0.08 0.60 0.11 0.00 0.00 0.00 0.00 46.02 46.65 3cpw n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cpw n ALA 39 N 3.49 2.75 0.21 4.61 0.00 -1.26 -4.35 120.51 125.96 3cpw n ALA 39 Ca 0.15 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.28 3cpw n ALA 39 Cb 0.34 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.76 3cpw n ALA 39 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3cpw n PRO 40 N -2.44 0.21 -0.77 0.00 -0.04 -1.26 -4.78 135.00 125.93 3cpw n PRO 40 Ca -0.00 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.16 3cpw n PRO 40 Cb 0.53 -1.26 0.26 0.00 -0.04 0.00 0.00 33.50 32.98 3cpw n PRO 40 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3cpw s GLU 41 N -0.03 -1.79 -0.42 0.54 2.02 -1.26 -5.03 118.70 112.73 3cpw s GLU 41 Ca 0.00 0.12 0.06 0.00 0.02 0.00 0.00 54.97 55.16 3cpw s GLU 41 Cb 0.00 -1.51 0.32 0.00 0.10 0.00 0.00 34.13 33.04 3cpw s GLU 41 CO 0.00 -4.12 1.20 0.09 0.02 0.00 0.00 175.26 172.45 3cpw n ASN 42 N -5.09 -2.02 -0.05 -0.19 3.02 -1.26 -5.05 115.26 104.62 3cpw n ASN 42 Ca 0.11 -3.16 0.05 0.00 -0.03 0.00 0.00 54.58 51.55 3cpw n ASN 42 Cb 0.59 1.71 0.08 0.00 -0.61 0.00 0.00 39.78 41.55 3cpw n ASN 42 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 3cpw n PRO 43 N 0.39 -0.01 0.01 3.52 -0.02 -1.26 0.35 135.00 137.98 3cpw n PRO 43 Ca 0.02 0.16 0.09 0.00 -2.02 0.00 0.00 63.50 61.76 3cpw n PRO 43 Cb 0.72 -0.31 0.51 0.00 -0.02 0.00 0.00 33.50 34.39 3cpw n PRO 43 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3cpw h GLY 44 N 0.00 0.45 0.22 -1.23 0.00 -1.99 -2.80 103.07 97.72 3cpw h GLY 44 Ca 0.11 -0.15 -0.07 0.00 0.00 0.00 0.00 47.33 47.23 3cpw h GLY 44 CO -0.07 0.12 -0.29 3.21 0.00 0.00 0.00 176.54 179.50 3cpw h ARG 45 N 0.37 0.10 -0.27 4.80 3.08 -0.53 -1.70 114.38 120.23 3cpw h ARG 45 Ca 0.19 -0.16 0.08 0.00 0.07 0.00 0.00 59.98 60.15 3cpw h ARG 45 Cb 0.27 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 3cpw h ARG 45 CO -0.04 1.08 0.43 0.97 -1.07 0.00 0.00 179.97 181.34 3cpw h ILE 46 N -0.80 0.22 0.12 2.04 2.10 -1.68 1.07 117.51 120.58 3cpw h ILE 46 Ca -0.05 0.00 -0.31 0.00 1.08 0.00 0.00 64.86 65.58 3cpw h ILE 46 Cb 1.21 0.62 -0.01 0.00 -1.09 0.00 0.00 36.82 37.56 3cpw h ILE 46 CO 0.04 0.00 -1.55 0.50 -1.08 0.00 0.00 178.15 176.06 3cpw h LYS 47 N 0.00 0.25 -0.21 2.19 3.64 -1.48 -3.30 116.57 117.66 3cpw h LYS 47 Ca 0.13 -0.44 -0.21 0.00 -1.27 0.00 0.00 60.65 58.87 3cpw h LYS 47 Cb 1.00 0.16 0.01 0.00 -0.41 0.00 0.00 32.23 32.98 3cpw h LYS 47 CO -0.00 1.12 -0.67 0.93 -2.27 0.00 0.00 179.45 178.55 3cpw h GLU 48 N 0.07 0.83 -0.92 1.90 4.39 0.18 -3.06 114.58 117.97 3cpw h GLU 48 Ca -0.25 -0.61 0.13 0.00 0.34 0.00 0.00 59.36 58.97 3cpw h GLU 48 Cb 2.02 0.11 -0.07 0.00 -0.10 0.00 0.00 28.75 30.70 3cpw h GLU 48 CO 0.16 1.23 0.59 -0.07 -1.16 0.00 0.00 179.01 179.76 3cpw h LEU 49 N 0.59 0.75 -0.15 1.33 3.38 0.18 0.39 115.31 121.78 3cpw h LEU 49 Ca -0.02 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 3cpw h LEU 49 Cb 1.30 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.93 3cpw h LEU 49 CO 0.14 0.39 -0.04 0.03 0.09 0.00 0.00 178.44 179.05 3cpw h ARG 50 N 0.80 0.29 -0.31 1.13 3.08 -1.62 -1.94 114.38 115.81 3cpw h ARG 50 Ca 0.46 -0.12 -0.02 0.00 0.07 0.00 0.00 59.98 60.37 3cpw h ARG 50 Cb 0.61 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.63 3cpw h ARG 50 CO -0.22 0.58 0.10 0.87 -1.07 0.00 0.00 179.97 180.23 3cpw h LYS 51 N -0.02 0.48 -0.22 0.04 1.57 -1.20 -1.28 116.57 115.93 3cpw h LYS 51 Ca 0.04 -0.10 0.06 0.00 -1.87 0.00 0.00 60.65 58.77 3cpw h LYS 51 Cb 0.48 -0.07 -0.06 0.00 0.08 0.00 0.00 32.23 32.66 3cpw h LYS 51 CO 0.02 0.52 -0.17 0.00 -0.57 0.00 0.00 179.45 179.25 3cpw h ALA 52 N 0.93 -0.01 -0.40 3.86 0.00 -0.27 0.26 119.26 123.63 3cpw h ALA 52 Ca 0.10 0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.15 3cpw h ALA 52 Cb 0.25 0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 3cpw h ALA 52 CO -0.00 -0.59 0.27 0.82 0.00 0.00 0.00 179.25 179.75 3cpw h ILE 53 N -0.16 0.96 -0.39 0.00 2.04 -1.17 -0.01 117.51 118.77 3cpw h ILE 53 Ca 0.13 -0.10 -0.13 0.00 1.00 0.00 0.00 64.86 65.76 3cpw h ILE 53 Cb 0.36 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 3cpw h ILE 53 CO -0.32 0.05 -0.26 0.00 0.00 0.00 0.00 178.15 177.62 3cpw h ALA 54 N 1.79 0.55 -0.06 1.87 0.00 0.45 -1.93 119.26 121.93 3cpw h ALA 54 Ca 0.17 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 3cpw h ALA 54 Cb 0.31 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 3cpw h ALA 54 CO -0.04 0.56 0.02 0.00 0.00 0.00 0.00 179.25 179.79 3cpw h ARG 55 N 0.67 0.09 -0.39 0.00 3.08 0.12 0.11 114.38 118.06 3cpw h ARG 55 Ca 0.08 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.12 3cpw h ARG 55 Cb 0.83 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.85 3cpw h ARG 55 CO 0.07 0.26 0.24 0.82 -1.07 0.00 0.00 179.97 180.28 3cpw h ILE 56 N -0.10 1.06 -0.57 2.04 2.04 -1.20 0.93 117.51 121.71 3cpw h ILE 56 Ca 0.02 -0.16 -0.02 0.00 1.00 0.00 0.00 64.86 65.69 3cpw h ILE 56 Cb 0.20 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 36.80 3cpw h ILE 56 CO -0.00 0.09 0.25 0.11 0.00 0.00 0.00 178.15 178.60 3cpw h LYS 57 N 0.48 0.80 -0.16 2.37 1.57 -1.20 0.26 116.57 120.69 3cpw h LYS 57 Ca 0.15 -0.11 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 3cpw h LYS 57 Cb -0.02 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.14 3cpw h LYS 57 CO -0.06 0.64 0.01 1.15 -0.57 0.00 0.00 179.45 180.62 3cpw h THR 58 N 0.80 1.25 -0.02 -0.16 2.02 0.04 -2.83 112.91 114.00 3cpw h THR 58 Ca 0.20 -0.82 -0.00 0.00 0.77 0.00 0.00 66.41 66.56 3cpw h THR 58 Cb 0.12 1.47 -0.00 0.00 -1.74 0.00 0.00 68.15 68.00 3cpw h THR 58 CO -0.02 0.24 0.01 0.40 0.37 0.00 0.00 175.52 176.52 3cpw h ILE 59 N 0.04 1.07 -1.03 3.11 1.08 -0.34 -1.90 117.51 119.54 3cpw h ILE 59 Ca 0.05 -0.22 0.26 0.00 -0.39 0.00 0.00 64.86 64.56 3cpw h ILE 59 Cb 0.36 1.18 -0.11 0.00 -3.07 0.00 0.00 36.82 35.18 3cpw h ILE 59 CO 0.01 0.06 0.63 1.56 -0.69 0.00 0.00 178.15 179.71 3cpw h GLN 60 N -0.06 0.48 -0.10 2.37 4.20 -0.50 0.13 115.11 121.63 3cpw h GLN 60 Ca 0.01 -0.03 -0.05 0.00 0.06 0.00 0.00 58.65 58.64 3cpw h GLN 60 Cb 0.09 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 27.76 3cpw h GLN 60 CO -0.00 0.32 -0.13 0.78 -0.67 0.00 0.00 178.83 179.13 3cpw h GLY 61 N 0.50 0.29 0.95 3.46 0.00 -1.20 1.11 103.07 108.18 3cpw h GLY 61 Ca 0.63 -0.31 0.02 0.00 0.00 0.00 0.00 47.33 47.67 3cpw h GLY 61 CO -0.41 0.28 0.43 0.83 0.00 0.00 0.00 176.54 177.66 3cpw h GLU 62 N -0.16 0.84 0.00 4.80 5.08 -0.06 -2.71 114.58 122.37 3cpw h GLU 62 Ca 0.01 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 3cpw h GLU 62 Cb 0.66 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.72 3cpw h GLU 62 CO 0.03 0.55 -0.05 0.93 -1.00 0.00 0.00 179.01 179.48 3cpw h GLU 63 N 0.86 0.00 0.00 2.33 4.39 -1.06 -3.46 114.58 117.64 3cpw h GLU 63 Ca 0.25 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.95 3cpw h GLU 63 Cb -0.05 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.60 3cpw h GLU 63 CO -0.07 0.05 0.00 0.41 -1.16 0.00 0.00 179.01 178.23 3cpw n GLY 64 N 0.61 1.10 0.00 -3.84 0.00 -0.99 -5.10 105.19 96.96 3cpw n GLY 64 Ca 0.02 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.87 3cpw n GLY 64 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54