#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ptf s GLU 2 N 0.00 1.78 -0.01 2.12 0.41 0.91 -4.99 118.70 118.92 1ptf s GLU 2 Ca 0.00 -0.93 0.03 0.00 -0.41 0.00 0.00 54.97 53.66 1ptf s GLU 2 Cb 0.00 -1.81 -0.00 0.00 -1.78 0.00 0.00 34.13 30.53 1ptf s GLU 2 CO 0.00 0.48 -0.08 0.21 -0.49 0.00 0.00 175.26 175.38 1ptf s LYS 3 N -0.84 0.71 -0.07 1.61 2.20 -1.26 -0.06 119.74 122.04 1ptf s LYS 3 Ca 0.09 -0.29 -0.09 0.00 -0.36 0.00 0.00 55.97 55.32 1ptf s LYS 3 Cb -0.09 -0.69 0.02 0.00 -1.51 0.00 0.00 37.83 35.56 1ptf s LYS 3 CO 0.00 0.16 0.23 0.21 -0.36 0.00 0.00 175.35 175.60 1ptf s LYS 4 N -0.12 0.34 -0.01 4.03 2.20 -0.14 -4.99 119.74 121.05 1ptf s LYS 4 Ca 0.02 0.17 -0.03 0.00 -0.36 0.00 0.00 55.97 55.78 1ptf s LYS 4 Cb -0.04 0.16 -0.04 0.00 -1.51 0.00 0.00 37.83 36.40 1ptf s LYS 4 CO -0.00 -0.06 0.18 -2.00 -0.36 0.00 0.00 175.35 173.11 1ptf s GLU 5 N -0.23 3.42 0.03 4.03 2.12 -1.26 -0.31 118.70 126.49 1ptf s GLU 5 Ca -0.03 -0.33 -0.02 0.00 0.36 0.00 0.00 54.97 54.95 1ptf s GLU 5 Cb -0.03 -3.09 -0.02 0.00 0.26 0.00 0.00 34.13 31.25 1ptf s GLU 5 CO 0.01 0.67 0.00 -0.06 -0.54 0.00 0.00 175.26 175.34 1ptf s PHE 6 N -1.32 0.29 -0.16 5.30 0.08 0.03 -5.01 117.98 117.19 1ptf s PHE 6 Ca 0.27 -0.61 0.01 0.00 0.12 0.00 0.00 56.93 56.72 1ptf s PHE 6 Cb -0.13 -0.21 0.01 0.00 -0.57 0.00 0.00 43.02 42.12 1ptf s PHE 6 CO 0.19 -0.26 -0.17 -1.58 -0.10 0.00 0.00 175.22 173.29 1ptf s HIS 7 N -2.14 2.77 -0.00 0.36 5.65 -1.26 -1.03 115.29 119.64 1ptf s HIS 7 Ca -0.09 -1.24 -0.29 0.00 0.25 0.00 0.00 55.06 53.69 1ptf s HIS 7 Cb -0.05 -1.90 -0.03 0.00 -1.18 0.00 0.00 32.58 29.42 1ptf s HIS 7 CO -0.03 -0.59 0.94 0.42 -0.65 0.00 0.00 174.74 174.82 1ptf s ILE 8 N 0.99 4.87 0.00 0.89 -1.09 0.11 -4.39 121.20 122.58 1ptf s ILE 8 Ca -0.02 1.97 0.00 0.00 -2.23 0.00 0.00 60.65 60.37 1ptf s ILE 8 Cb -0.15 -4.28 0.00 0.00 -1.58 0.00 0.00 42.46 36.45 1ptf s ILE 8 CO -0.04 0.19 0.19 1.33 -1.23 0.00 0.00 174.94 175.38 1ptf n VAL 9 N 3.80 0.00 -2.13 2.92 0.24 0.07 0.48 118.33 123.70 1ptf n VAL 9 Ca 0.05 -0.44 -0.39 0.00 -2.04 0.00 0.00 64.34 61.51 1ptf n VAL 9 Cb 0.51 1.05 -0.01 0.00 -1.47 0.00 0.00 33.84 33.92 1ptf n VAL 9 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ptf s ALA 10 N -0.51 3.29 0.46 2.33 0.00 -1.20 -4.81 121.76 121.33 1ptf s ALA 10 Ca 0.00 1.17 0.18 0.00 0.00 0.00 0.00 51.96 53.31 1ptf s ALA 10 Cb 0.00 -3.46 1.16 0.00 0.00 0.00 0.00 23.12 20.82 1ptf s ALA 10 CO 0.00 -0.70 2.04 0.93 0.00 0.00 0.00 175.76 178.03 1ptf h GLU 11 N 2.86 0.00 0.00 0.00 4.39 -1.96 -1.38 114.58 118.50 1ptf h GLU 11 Ca -0.49 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.21 1ptf h GLU 11 Cb 1.24 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.89 1ptf h GLU 11 CO 0.63 0.14 -0.08 0.25 -1.16 0.00 0.00 179.01 178.80 1ptf n THR 12 N -4.21 0.51 -4.61 1.13 -2.24 -1.26 -4.68 114.28 98.92 1ptf n THR 12 Ca -0.02 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 1ptf n THR 12 Cb 0.21 -0.52 0.00 0.00 -2.10 0.00 0.00 70.33 67.93 1ptf n THR 12 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ptf n GLY 13 N 1.33 0.12 3.40 3.38 0.00 -0.52 -3.84 105.19 109.06 1ptf n GLY 13 Ca 0.05 -0.96 -0.45 0.00 0.00 0.00 0.00 46.02 44.67 1ptf n GLY 13 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ptf s ILE 14 N 0.00 5.29 0.22 -0.61 1.01 0.61 -4.83 121.20 122.88 1ptf s ILE 14 Ca 0.00 -2.43 -0.11 0.00 0.00 0.00 0.00 60.65 58.11 1ptf s ILE 14 Cb 0.00 -4.70 -0.01 0.00 0.01 0.00 0.00 42.46 37.77 1ptf s ILE 14 CO 0.00 -1.35 0.40 -1.00 0.00 0.00 0.00 174.94 172.99 1ptf s HIS 15 N 0.98 0.41 0.00 3.97 3.76 -1.25 -4.64 115.29 118.51 1ptf s HIS 15 Ca 0.31 -0.75 0.00 0.00 -0.15 0.00 0.00 55.06 54.46 1ptf s HIS 15 Cb -0.07 0.07 0.00 0.00 1.11 0.00 0.00 32.58 33.69 1ptf s HIS 15 CO -0.07 -0.88 0.00 0.00 -0.85 0.00 0.00 174.74 172.94 1ptf n ALA 16 N -0.33 0.00 -0.33 -1.40 0.00 -1.26 -2.72 120.51 114.47 1ptf n ALA 16 Ca -0.03 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.56 1ptf n ALA 16 Cb 0.63 0.00 0.35 0.00 0.00 0.00 0.00 19.45 20.42 1ptf n ALA 16 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1ptf h ARG 17 N 0.00 0.55 -0.98 0.00 2.43 -1.99 -1.13 114.38 113.25 1ptf h ARG 17 Ca 0.00 -0.03 0.06 0.00 -0.81 0.00 0.00 59.98 59.19 1ptf h ARG 17 Cb 0.00 -0.12 -0.06 0.00 -0.42 0.00 0.00 29.97 29.36 1ptf h ARG 17 CO 0.00 0.36 0.64 -1.35 -1.51 0.00 0.00 179.97 178.11 1ptf h PRO 18 N 0.56 1.14 -0.27 0.20 0.11 -1.93 -0.58 132.00 131.23 1ptf h PRO 18 Ca 0.60 -0.07 -0.13 0.00 0.11 0.00 0.00 66.00 66.52 1ptf h PRO 18 Cb 1.10 -0.26 -0.00 0.00 0.11 0.00 0.00 31.00 31.95 1ptf h PRO 18 CO -0.47 0.75 -0.32 0.00 -0.21 0.00 0.00 178.00 177.76 1ptf h ALA 19 N 1.46 0.41 -0.60 -0.75 0.00 -1.02 -2.58 119.26 116.16 1ptf h ALA 19 Ca 0.41 -0.42 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 1ptf h ALA 19 Cb 0.12 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1ptf h ALA 19 CO -0.15 0.45 0.03 1.79 0.00 0.00 0.00 179.25 181.36 1ptf h THR 20 N 0.43 1.26 -0.61 0.00 1.35 -0.80 -1.74 112.91 112.81 1ptf h THR 20 Ca 0.04 -1.11 -0.06 0.00 -0.55 0.00 0.00 66.41 64.73 1ptf h THR 20 Cb 0.90 0.78 -0.02 0.00 -1.73 0.00 0.00 68.15 68.08 1ptf h THR 20 CO 0.08 0.40 0.14 -0.07 -0.25 0.00 0.00 175.52 175.82 1ptf h LEU 21 N 0.95 0.93 0.20 3.87 3.38 -1.16 -1.35 115.31 122.13 1ptf h LEU 21 Ca 0.18 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1ptf h LEU 21 Cb 0.52 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1ptf h LEU 21 CO 0.03 0.92 -0.10 0.25 0.09 0.00 0.00 178.44 179.63 1ptf h LEU 22 N 0.89 -0.23 -1.14 1.67 5.85 -1.18 -1.30 115.31 119.88 1ptf h LEU 22 Ca 0.19 -0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.93 1ptf h LEU 22 Cb 0.36 0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.40 1ptf h LEU 22 CO 0.00 -0.12 0.59 0.58 -0.34 0.00 0.00 178.44 179.15 1ptf h VAL 23 N -0.31 1.13 -0.90 1.05 2.07 -1.30 -1.46 116.25 116.53 1ptf h VAL 23 Ca -0.03 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.11 1ptf h VAL 23 Cb 0.24 -0.06 -0.04 0.00 -1.52 0.00 0.00 31.29 29.91 1ptf h VAL 23 CO 0.04 0.20 0.53 1.56 0.02 0.00 0.00 177.57 179.93 1ptf h GLN 24 N 1.09 1.23 -0.36 1.57 4.20 -0.96 -0.61 115.11 121.27 1ptf h GLN 24 Ca 0.36 -0.12 -0.07 0.00 0.06 0.00 0.00 58.65 58.89 1ptf h GLN 24 Cb 0.07 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 27.59 1ptf h GLN 24 CO -0.12 0.87 -0.03 1.15 -0.67 0.00 0.00 178.83 180.03 1ptf h THR 25 N 1.24 1.27 -0.89 -0.54 2.02 -0.73 -3.06 112.91 112.21 1ptf h THR 25 Ca 0.32 -1.05 -0.02 0.00 0.77 0.00 0.00 66.41 66.43 1ptf h THR 25 Cb -0.03 1.23 -0.04 0.00 -1.74 0.00 0.00 68.15 67.56 1ptf h THR 25 CO -0.06 0.35 0.49 0.00 0.37 0.00 0.00 175.52 176.67 1ptf h ALA 26 N 0.85 1.15 0.00 6.16 0.00 -0.89 -1.61 119.26 124.91 1ptf h ALA 26 Ca 0.10 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1ptf h ALA 26 Cb 0.51 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1ptf h ALA 26 CO 0.03 0.65 0.00 0.43 0.00 0.00 0.00 179.25 180.36 1ptf n SER 27 N -4.34 0.23 -0.01 0.00 7.64 -0.27 -2.01 113.62 114.85 1ptf n SER 27 Ca 0.09 0.59 0.13 0.00 1.01 0.00 0.00 58.87 60.70 1ptf n SER 27 Cb 0.10 -0.63 0.50 0.00 -1.01 0.00 0.00 64.21 63.17 1ptf n SER 27 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1ptf n LYS 28 N -1.79 0.10 -4.10 1.43 5.02 -0.61 -4.87 118.16 113.34 1ptf n LYS 28 Ca 0.00 -0.03 -0.25 0.00 -2.02 0.00 0.00 58.31 56.02 1ptf n LYS 28 Cb 0.06 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.52 1ptf n LYS 28 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1ptf s PHE 29 N -2.92 3.12 -0.05 2.13 0.08 -0.85 -5.04 117.98 114.44 1ptf s PHE 29 Ca 0.15 -0.05 0.13 0.00 0.12 0.00 0.00 56.93 57.28 1ptf s PHE 29 Cb 0.19 -1.47 -0.17 0.00 -0.57 0.00 0.00 43.02 41.00 1ptf s PHE 29 CO 0.58 0.52 0.90 -0.91 -0.10 0.00 0.00 175.22 176.21 1ptf h ASN 30 N 2.12 0.00 -3.90 1.36 2.35 -1.89 -3.48 115.58 112.14 1ptf h ASN 30 Ca -0.48 0.00 -0.54 0.00 -0.55 0.00 0.00 56.30 54.74 1ptf h ASN 30 Cb 1.21 0.00 0.19 0.00 0.05 0.00 0.00 38.32 39.78 1ptf h ASN 30 CO 0.62 0.82 0.02 -1.20 -1.65 0.00 0.00 177.43 176.04 1ptf n SER 31 N -3.07 -0.06 -4.72 5.81 7.64 -1.26 -4.91 113.62 113.05 1ptf n SER 31 Ca -0.10 0.50 -0.42 0.00 1.01 0.00 0.00 58.87 59.87 1ptf n SER 31 Cb 0.93 -1.40 -0.03 0.00 -1.01 0.00 0.00 64.21 62.70 1ptf n SER 31 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1ptf s ASP 32 N -2.10 7.25 -0.14 6.43 1.01 0.37 -4.83 116.67 124.67 1ptf s ASP 32 Ca 0.68 1.89 0.00 0.00 0.71 0.00 0.00 52.55 55.83 1ptf s ASP 32 Cb -0.27 -2.58 0.02 0.00 1.01 0.00 0.00 42.92 41.10 1ptf s ASP 32 CO 0.57 -0.31 -0.13 -0.63 0.21 0.00 0.00 175.17 174.87 1ptf s ILE 33 N 0.70 1.47 0.08 0.77 1.01 -1.26 -0.54 121.20 123.44 1ptf s ILE 33 Ca 0.54 -0.58 0.08 0.00 0.00 0.00 0.00 60.65 60.69 1ptf s ILE 33 Cb -0.26 -1.38 -0.03 0.00 0.01 0.00 0.00 42.46 40.79 1ptf s ILE 33 CO 0.30 0.44 -0.22 0.20 0.00 0.00 0.00 174.94 175.66 1ptf s ASN 34 N 1.43 2.71 -0.12 3.58 -0.87 -0.30 -1.03 114.94 120.34 1ptf s ASN 34 Ca 0.03 -0.64 0.00 0.00 -1.57 0.00 0.00 52.86 50.68 1ptf s ASN 34 Cb -0.13 -0.19 -0.02 0.00 -0.02 0.00 0.00 41.25 40.89 1ptf s ASN 34 CO -0.09 0.13 -0.12 -0.22 -2.57 0.00 0.00 177.10 174.23 1ptf s LEU 35 N -1.65 2.77 -0.06 0.60 2.96 0.10 -1.23 118.68 122.18 1ptf s LEU 35 Ca 0.09 -0.29 0.04 0.00 -0.22 0.00 0.00 54.13 53.75 1ptf s LEU 35 Cb -0.10 -1.62 0.00 0.00 0.50 0.00 0.00 46.19 44.98 1ptf s LEU 35 CO 0.04 0.19 -0.17 -0.70 -1.32 0.00 0.00 176.35 174.39 1ptf s GLU 36 N 0.18 2.04 -0.05 1.98 2.12 0.11 -0.90 118.70 124.18 1ptf s GLU 36 Ca -0.07 -0.62 -0.01 0.00 0.36 0.00 0.00 54.97 54.63 1ptf s GLU 36 Cb -0.15 -1.68 0.03 0.00 0.26 0.00 0.00 34.13 32.59 1ptf s GLU 36 CO 0.05 0.18 0.04 -0.47 -0.54 0.00 0.00 175.26 174.51 1ptf s TYR 37 N 0.27 0.23 -1.45 5.30 5.04 0.05 -1.07 117.35 125.72 1ptf s TYR 37 Ca -0.10 0.12 -0.07 0.00 -2.44 0.00 0.00 57.07 54.58 1ptf s TYR 37 Cb -0.14 -0.54 0.05 0.00 0.35 0.00 0.00 41.96 41.68 1ptf s TYR 37 CO 0.04 -0.21 0.74 1.63 -1.34 0.00 0.00 175.55 176.41 1ptf n LYS 38 N 5.07 -4.53 -0.57 4.97 5.02 -1.26 -1.45 118.16 125.41 1ptf n LYS 38 Ca -0.08 0.53 0.00 0.00 -2.02 0.00 0.00 58.31 56.74 1ptf n LYS 38 Cb 0.50 -5.12 0.00 0.00 -0.02 0.00 0.00 35.03 30.39 1ptf n LYS 38 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ptf n GLY 39 N -1.69 1.79 3.68 0.72 0.00 -1.26 -5.02 105.19 103.41 1ptf n GLY 39 Ca -0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.53 1ptf n GLY 39 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ptf s LYS 40 N -0.02 3.29 -0.02 1.61 2.20 -0.53 -5.11 119.74 121.17 1ptf s LYS 40 Ca 0.00 -0.38 0.06 0.00 -0.36 0.00 0.00 55.97 55.30 1ptf s LYS 40 Cb 0.00 -2.93 -0.02 0.00 -1.51 0.00 0.00 37.83 33.37 1ptf s LYS 40 CO 0.00 0.59 -0.20 0.45 -0.36 0.00 0.00 175.35 175.82 1ptf s SER 41 N -0.54 3.55 0.15 1.43 0.15 -1.26 -0.77 113.70 116.40 1ptf s SER 41 Ca 0.10 -0.37 0.03 0.00 0.70 0.00 0.00 55.95 56.41 1ptf s SER 41 Cb -0.12 -0.57 -0.04 0.00 -1.71 0.00 0.00 66.02 63.58 1ptf s SER 41 CO 0.02 0.31 -0.06 0.68 1.20 0.00 0.00 173.24 175.39 1ptf s VAL 42 N -0.72 0.93 -0.09 4.45 -7.23 -0.08 -4.97 120.40 112.69 1ptf s VAL 42 Ca 0.11 -2.01 -0.30 0.00 -1.81 0.00 0.00 61.98 57.98 1ptf s VAL 42 Cb -0.10 -1.91 -0.02 0.00 0.56 0.00 0.00 36.38 34.91 1ptf s VAL 42 CO 0.01 -0.69 1.13 0.21 -0.31 0.00 0.00 175.10 175.45 1ptf s ASN 43 N -3.15 7.11 0.04 4.85 3.04 -1.26 -0.72 114.94 124.85 1ptf s ASN 43 Ca 0.18 1.68 0.18 0.00 0.04 0.00 0.00 52.86 54.94 1ptf s ASN 43 Cb 0.04 -2.55 0.75 0.00 -1.54 0.00 0.00 41.25 37.95 1ptf s ASN 43 CO 0.01 -0.56 1.57 -0.11 -3.04 0.00 0.00 177.10 174.97 1ptf n LEU 44 N 5.30 0.11 -0.42 3.21 7.94 -0.19 -1.71 117.00 131.24 1ptf n LEU 44 Ca 0.10 0.52 0.10 0.00 -1.11 0.00 0.00 56.01 55.63 1ptf n LEU 44 Cb 0.47 -0.51 0.40 0.00 0.53 0.00 0.00 43.42 44.32 1ptf n LEU 44 CO 0.54 -0.26 0.78 0.29 -1.11 0.00 0.00 177.39 177.63 1ptf n LYS 45 N -1.62 1.55 -3.95 1.96 5.02 -1.26 -4.42 118.16 115.44 1ptf n LYS 45 Ca 0.04 -0.83 -0.34 0.00 -2.02 0.00 0.00 58.31 55.16 1ptf n LYS 45 Cb 0.21 -1.36 -0.14 0.00 -0.02 0.00 0.00 35.03 33.72 1ptf n LYS 45 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1ptf s SER 46 N -1.54 4.58 0.32 4.39 0.15 -0.69 -4.88 113.70 116.03 1ptf s SER 46 Ca 0.30 -1.12 0.01 0.00 0.70 0.00 0.00 55.95 55.85 1ptf s SER 46 Cb 0.16 -1.67 0.55 0.00 -1.71 0.00 0.00 66.02 63.34 1ptf s SER 46 CO 0.24 -0.19 1.94 -0.29 1.20 0.00 0.00 173.24 176.14 1ptf h ILE 47 N 6.36 1.19 -0.44 6.45 6.09 -1.86 -1.00 117.51 134.31 1ptf h ILE 47 Ca -0.26 -0.50 -0.03 0.00 -1.37 0.00 0.00 64.86 62.70 1ptf h ILE 47 Cb 1.08 0.41 -0.02 0.00 0.47 0.00 0.00 36.82 38.76 1ptf h ILE 47 CO 0.54 0.21 0.14 0.24 -3.07 0.00 0.00 178.15 176.22 1ptf h MET 48 N 0.83 0.68 -0.36 2.19 2.86 -1.94 0.23 114.93 119.42 1ptf h MET 48 Ca 0.21 -0.14 0.02 0.00 -2.06 0.00 0.00 59.70 57.73 1ptf h MET 48 Cb 0.05 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.59 1ptf h MET 48 CO -0.03 0.65 0.18 0.78 1.06 0.00 0.00 176.91 179.55 1ptf h GLY 49 N 0.56 0.49 0.95 8.32 0.00 -1.71 -0.55 103.07 111.13 1ptf h GLY 49 Ca 0.14 -0.13 -0.00 0.00 0.00 0.00 0.00 47.33 47.34 1ptf h GLY 49 CO -0.00 0.10 0.09 -2.08 0.00 0.00 0.00 176.54 174.65 1ptf h VAL 50 N 0.37 1.09 -0.34 4.60 2.07 -0.97 -2.27 116.25 120.81 1ptf h VAL 50 Ca 0.15 -0.25 -0.00 0.00 0.82 0.00 0.00 66.70 67.42 1ptf h VAL 50 Cb 0.05 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 1ptf h VAL 50 CO -0.10 0.09 0.19 0.24 0.02 0.00 0.00 177.57 178.01 1ptf h MET 51 N 0.17 0.45 0.00 1.57 2.86 -0.84 -2.41 114.93 116.74 1ptf h MET 51 Ca 0.06 -0.04 -0.04 0.00 -2.06 0.00 0.00 59.70 57.62 1ptf h MET 51 Cb 0.06 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.62 1ptf h MET 51 CO -0.01 0.33 -0.21 0.66 1.06 0.00 0.00 176.91 178.74 1ptf h SER 52 N 0.46 0.00 0.41 1.22 4.64 -0.55 -2.67 113.55 117.07 1ptf h SER 52 Ca 0.12 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.31 1ptf h SER 52 Cb -0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.07 1ptf h SER 52 CO -0.02 0.21 -0.55 0.25 -0.87 0.00 0.00 176.83 175.84 1ptf h LEU 53 N 0.00 0.17 -2.25 5.97 5.85 -0.93 -3.48 115.31 120.64 1ptf h LEU 53 Ca -0.00 -0.09 -0.22 0.00 0.84 0.00 0.00 57.88 58.41 1ptf h LEU 53 Cb 0.56 -0.05 0.15 0.00 0.37 0.00 0.00 40.66 41.69 1ptf h LEU 53 CO 0.03 0.69 -0.66 0.61 -0.34 0.00 0.00 178.44 178.77 1ptf n GLY 54 N 0.11 -0.54 3.58 3.75 0.00 -1.01 -4.95 105.19 106.14 1ptf n GLY 54 Ca -0.02 0.25 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 1ptf n GLY 54 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ptf s VAL 55 N -3.30 4.84 0.50 1.61 1.01 -1.26 -5.03 120.40 118.77 1ptf s VAL 55 Ca 0.23 0.76 0.09 0.00 0.00 0.00 0.00 61.98 63.06 1ptf s VAL 55 Cb -0.03 -4.12 0.05 0.00 0.00 0.00 0.00 36.38 32.28 1ptf s VAL 55 CO 0.59 -0.33 0.66 -0.83 0.00 0.00 0.00 175.10 175.19 1ptf s GLY 56 N 1.77 1.88 0.27 4.51 0.00 -1.26 -0.29 107.32 114.21 1ptf s GLY 56 Ca 0.27 -1.90 -0.30 0.00 0.00 0.00 0.00 44.72 42.80 1ptf s GLY 56 CO 0.15 -1.62 1.32 -0.18 0.00 0.00 0.00 173.10 172.76 1ptf n GLN 57 N -2.02 1.94 -0.50 2.90 7.27 -1.26 -2.55 117.38 123.17 1ptf n GLN 57 Ca 0.11 0.69 0.00 0.00 0.07 0.00 0.00 57.00 57.87 1ptf n GLN 57 Cb 0.61 -2.28 0.00 0.00 2.41 0.00 0.00 30.24 30.97 1ptf n GLN 57 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1ptf n GLY 58 N 1.62 0.87 3.78 1.69 0.00 0.18 -5.00 105.19 108.32 1ptf n GLY 58 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 1ptf n GLY 58 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ptf s SER 59 N -3.01 6.70 -0.24 1.61 0.01 -1.06 -4.71 113.70 113.00 1ptf s SER 59 Ca 0.00 2.14 -0.12 0.00 1.31 0.00 0.00 55.95 59.29 1ptf s SER 59 Cb 0.00 -2.60 -0.05 0.00 0.21 0.00 0.00 66.02 63.59 1ptf s SER 59 CO 0.00 -0.53 0.21 -1.81 0.41 0.00 0.00 173.24 171.51 1ptf s ASP 60 N -1.40 6.15 0.19 2.44 1.01 -1.26 0.10 116.67 123.89 1ptf s ASP 60 Ca 0.57 0.15 0.07 0.00 0.71 0.00 0.00 52.55 54.05 1ptf s ASP 60 Cb -0.25 -2.13 -0.05 0.00 1.01 0.00 0.00 42.92 41.50 1ptf s ASP 60 CO 0.32 0.01 -0.13 0.68 0.21 0.00 0.00 175.17 176.26 1ptf s VAL 61 N 1.27 1.58 -0.02 -1.27 -7.23 -0.20 -4.52 120.40 110.01 1ptf s VAL 61 Ca 0.09 -2.16 0.06 0.00 -1.81 0.00 0.00 61.98 58.16 1ptf s VAL 61 Cb -0.14 -1.98 -0.01 0.00 0.56 0.00 0.00 36.38 34.80 1ptf s VAL 61 CO 0.06 -0.63 -0.20 -0.89 -0.31 0.00 0.00 175.10 173.13 1ptf s THR 62 N -3.05 1.62 -0.09 5.32 2.01 -0.23 -0.79 115.64 120.43 1ptf s THR 62 Ca 0.21 -0.86 0.04 0.00 0.31 0.00 0.00 61.69 61.38 1ptf s THR 62 Cb 0.00 -1.36 -0.01 0.00 0.01 0.00 0.00 72.50 71.14 1ptf s THR 62 CO 0.05 0.46 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.61 1ptf s ILE 63 N -0.36 2.46 -0.06 1.82 1.01 0.57 0.05 121.20 126.69 1ptf s ILE 63 Ca 0.05 -0.90 0.05 0.00 0.00 0.00 0.00 60.65 59.85 1ptf s ILE 63 Cb -0.09 -1.96 -0.02 0.00 0.01 0.00 0.00 42.46 40.41 1ptf s ILE 63 CO 0.00 0.56 -0.21 -0.89 0.00 0.00 0.00 174.94 174.40 1ptf s THR 64 N 0.04 2.45 -0.12 2.92 2.01 -0.36 -0.97 115.64 121.60 1ptf s THR 64 Ca -0.08 -0.93 0.01 0.00 0.31 0.00 0.00 61.69 61.00 1ptf s THR 64 Cb -0.15 -1.93 0.02 0.00 0.01 0.00 0.00 72.50 70.45 1ptf s THR 64 CO 0.05 0.57 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.71 1ptf s VAL 65 N -0.33 1.55 -0.14 3.82 1.01 0.91 -1.15 120.40 126.07 1ptf s VAL 65 Ca 0.02 -0.65 -0.04 0.00 0.00 0.00 0.00 61.98 61.31 1ptf s VAL 65 Cb -0.13 -1.43 0.06 0.00 0.00 0.00 0.00 36.38 34.89 1ptf s VAL 65 CO 0.02 0.45 0.13 -0.62 0.00 0.00 0.00 175.10 175.09 1ptf s ASP 66 N 1.16 1.57 0.00 3.32 2.15 0.30 -0.07 116.67 125.11 1ptf s ASP 66 Ca -0.02 -0.20 0.00 0.00 0.43 0.00 0.00 52.55 52.75 1ptf s ASP 66 Cb -0.14 0.04 0.00 0.00 -0.30 0.00 0.00 42.92 42.52 1ptf s ASP 66 CO -0.05 -0.31 0.00 0.61 -0.17 0.00 0.00 175.17 175.26 1ptf n GLY 67 N 5.30 -1.06 0.22 2.66 0.00 -1.26 -0.48 105.19 110.58 1ptf n GLY 67 Ca -0.05 -1.17 0.09 0.00 0.00 0.00 0.00 46.02 44.88 1ptf n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ptf h ALA 68 N 0.00 1.17 -0.51 4.61 0.00 -1.97 -2.78 119.26 119.78 1ptf h ALA 68 Ca 0.00 -0.22 -0.37 0.00 0.00 0.00 0.00 54.91 54.31 1ptf h ALA 68 Cb 0.00 -0.04 -0.32 0.00 0.00 0.00 0.00 17.79 17.43 1ptf h ALA 68 CO 0.00 0.31 -0.78 -0.40 0.00 0.00 0.00 179.25 178.38 1ptf n ASP 69 N -3.64 3.70 0.16 0.00 5.68 -1.26 -4.80 116.55 116.40 1ptf n ASP 69 Ca -0.01 -3.56 0.02 0.00 -0.50 0.00 0.00 54.79 50.73 1ptf n ASP 69 Cb 0.37 -0.40 0.27 0.00 -1.14 0.00 0.00 41.12 40.22 1ptf n ASP 69 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1ptf h GLU 70 N 1.89 0.00 0.09 0.11 4.11 -1.85 -0.18 114.58 118.75 1ptf h GLU 70 Ca 0.21 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.64 1ptf h GLU 70 Cb 1.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.65 1ptf h GLU 70 CO 0.50 0.49 -0.05 0.00 0.07 0.00 0.00 179.01 180.02 1ptf h ALA 71 N 1.51 -0.13 0.00 1.06 0.00 -1.87 0.37 119.26 120.21 1ptf h ALA 71 Ca -0.00 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 1ptf h ALA 71 Cb 0.93 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1ptf h ALA 71 CO 0.06 -0.41 -0.44 1.05 0.00 0.00 0.00 179.25 179.52 1ptf h GLU 72 N -0.46 0.00 -0.02 0.00 9.09 -1.95 -2.08 114.58 119.17 1ptf h GLU 72 Ca -0.01 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.39 1ptf h GLU 72 Cb 0.38 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.48 1ptf h GLU 72 CO 0.02 0.44 -0.01 0.78 0.05 0.00 0.00 179.01 180.29 1ptf h GLY 73 N 2.10 0.05 1.00 1.06 0.00 -0.82 -0.34 103.07 106.12 1ptf h GLY 73 Ca -0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 47.33 47.27 1ptf h GLY 73 CO 0.06 0.04 0.38 1.98 0.00 0.00 0.00 176.54 179.00 1ptf h MET 74 N -0.39 0.91 -0.58 4.80 1.85 -0.93 -1.53 114.93 119.06 1ptf h MET 74 Ca 0.00 -0.09 0.03 0.00 -0.61 0.00 0.00 59.70 59.03 1ptf h MET 74 Cb 0.47 -0.18 -0.04 0.00 0.43 0.00 0.00 31.60 32.27 1ptf h MET 74 CO 0.00 0.67 0.35 0.00 -0.40 0.00 0.00 176.91 177.52 1ptf h ALA 75 N 1.19 0.75 -0.68 0.39 0.00 -1.17 -0.86 119.26 118.87 1ptf h ALA 75 Ca 0.23 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.07 1ptf h ALA 75 Cb 0.01 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1ptf h ALA 75 CO -0.04 0.06 0.15 0.00 0.00 0.00 0.00 179.25 179.42 1ptf h ALA 76 N 1.26 0.97 -0.37 0.00 0.00 -0.82 -1.11 119.26 119.19 1ptf h ALA 76 Ca 0.24 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1ptf h ALA 76 Cb 0.05 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1ptf h ALA 76 CO -0.11 0.66 0.03 0.82 0.00 0.00 0.00 179.25 180.64 1ptf h ILE 77 N 1.04 1.25 -0.31 0.00 1.08 -0.84 -0.44 117.51 119.29 1ptf h ILE 77 Ca 0.21 -0.92 -0.00 0.00 -0.39 0.00 0.00 64.86 63.76 1ptf h ILE 77 Cb 0.39 1.13 -0.01 0.00 -3.07 0.00 0.00 36.82 35.25 1ptf h ILE 77 CO 0.00 0.31 0.19 0.58 -0.69 0.00 0.00 178.15 178.55 1ptf h VAL 78 N 0.46 1.10 -0.45 1.67 2.07 -0.96 -0.09 116.25 120.05 1ptf h VAL 78 Ca 0.11 -0.22 0.03 0.00 0.82 0.00 0.00 66.70 67.44 1ptf h VAL 78 Cb 0.42 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 1ptf h VAL 78 CO 0.01 0.10 0.23 -0.08 0.02 0.00 0.00 177.57 177.85 1ptf h GLU 79 N 0.40 0.45 -0.34 1.57 4.81 -1.03 -2.22 114.58 118.22 1ptf h GLU 79 Ca 0.11 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.28 1ptf h GLU 79 Cb -0.01 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.26 1ptf h GLU 79 CO -0.02 0.30 0.08 1.15 -0.73 0.00 0.00 179.01 179.78 1ptf h THR 80 N 0.46 1.23 -0.86 0.32 2.02 -0.78 -0.20 112.91 115.10 1ptf h THR 80 Ca 0.19 -0.77 0.05 0.00 0.77 0.00 0.00 66.41 66.65 1ptf h THR 80 Cb 0.08 1.07 -0.06 0.00 -1.74 0.00 0.00 68.15 67.51 1ptf h THR 80 CO -0.13 0.26 0.54 -0.07 0.37 0.00 0.00 175.52 176.50 1ptf h LEU 81 N 0.40 0.87 -0.10 2.58 3.38 -0.83 -0.57 115.31 121.04 1ptf h LEU 81 Ca 0.11 0.01 -0.15 0.00 0.09 0.00 0.00 57.88 57.94 1ptf h LEU 81 Cb 0.31 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 40.89 1ptf h LEU 81 CO 0.00 0.58 -0.51 1.56 0.09 0.00 0.00 178.44 180.16 1ptf h GLN 82 N 1.01 0.53 -0.42 1.13 4.20 -1.24 0.38 115.11 120.70 1ptf h GLN 82 Ca 0.36 -0.43 -0.02 0.00 0.06 0.00 0.00 58.65 58.62 1ptf h GLN 82 Cb 0.10 0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.95 1ptf h GLN 82 CO -0.15 1.06 0.16 0.87 -0.67 0.00 0.00 178.83 180.11 1ptf h LYS 83 N 0.14 0.59 -0.00 1.46 1.57 -0.79 -1.57 116.57 117.97 1ptf h LYS 83 Ca -0.03 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1ptf h LYS 83 Cb 1.16 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.36 1ptf h LYS 83 CO 0.11 0.49 -0.11 0.39 -0.57 0.00 0.00 179.45 179.77 1ptf n GLU 84 N -4.37 0.48 -2.20 3.15 1.02 -0.24 -4.91 120.64 113.57 1ptf n GLU 84 Ca 0.03 -0.13 -0.12 0.00 -0.02 0.00 0.00 57.16 56.92 1ptf n GLU 84 Cb 0.15 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.06 1ptf n GLU 84 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ptf n GLY 85 N 1.33 -0.07 0.12 0.62 0.00 -0.59 -4.93 105.19 101.67 1ptf n GLY 85 Ca 0.13 -0.40 -0.19 0.00 0.00 0.00 0.00 46.02 45.56 1ptf n GLY 85 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ptf h LEU 86 N 0.00 0.47 0.00 0.99 3.38 -1.15 -3.31 115.31 115.69 1ptf h LEU 86 Ca -0.28 -0.64 0.00 0.00 0.09 0.00 0.00 57.88 57.05 1ptf h LEU 86 Cb 1.19 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.79 1ptf h LEU 86 CO 0.33 1.53 0.00 0.00 0.09 0.00 0.00 178.44 180.39