#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pfh s PHE 2 N 0.00 3.75 -0.02 1.12 5.36 -1.25 -4.96 117.98 121.98 1pfh s PHE 2 Ca 0.00 1.65 0.01 0.00 -0.96 0.00 0.00 56.93 57.63 1pfh s PHE 2 Cb 0.00 -2.98 0.01 0.00 -0.34 0.00 0.00 43.02 39.72 1pfh s PHE 2 CO 0.00 0.19 -0.02 -0.65 -1.46 0.00 0.00 175.22 173.28 1pfh s GLN 3 N 0.19 0.36 -0.22 10.12 -0.21 -1.26 -1.73 119.66 126.91 1pfh s GLN 3 Ca 0.45 -0.03 0.00 0.00 0.02 0.00 0.00 55.36 55.80 1pfh s GLN 3 Cb -0.22 -0.44 0.06 0.00 1.00 0.00 0.00 33.01 33.40 1pfh s GLN 3 CO 0.27 -0.04 -0.06 -0.65 -2.12 0.00 0.00 175.29 172.69 1pfh s GLN 4 N 0.56 1.63 -1.27 2.91 -0.21 -0.49 -5.00 119.66 117.79 1pfh s GLN 4 Ca -0.06 -0.89 -0.19 0.00 0.02 0.00 0.00 55.36 54.24 1pfh s GLN 4 Cb -0.09 -2.48 0.06 0.00 1.00 0.00 0.00 33.01 31.50 1pfh s GLN 4 CO -0.01 -0.56 1.73 -1.21 -2.12 0.00 0.00 175.29 173.13 1pfh s GLU 5 N 1.44 3.86 -0.12 2.91 2.02 -1.26 -1.19 118.70 126.36 1pfh s GLU 5 Ca -0.04 -1.87 -0.03 0.00 0.02 0.00 0.00 54.97 53.05 1pfh s GLU 5 Cb -0.18 -5.51 -0.03 0.00 0.10 0.00 0.00 34.13 28.51 1pfh s GLU 5 CO -0.07 -2.37 -0.01 0.14 0.02 0.00 0.00 175.26 172.97 1pfh s VAL 6 N 4.75 4.17 0.28 2.63 -7.23 -0.79 -4.84 120.40 119.36 1pfh s VAL 6 Ca 0.54 -0.28 -0.29 0.00 -1.81 0.00 0.00 61.98 60.14 1pfh s VAL 6 Cb 0.03 -2.79 -0.09 0.00 0.56 0.00 0.00 36.38 34.09 1pfh s VAL 6 CO 0.07 0.55 1.04 0.42 -0.31 0.00 0.00 175.10 176.87 1pfh s THR 7 N -0.32 3.71 -0.27 5.32 -4.23 -1.26 -0.45 115.64 118.13 1pfh s THR 7 Ca 0.06 1.68 -0.08 0.00 -1.18 0.00 0.00 61.69 62.17 1pfh s THR 7 Cb -0.12 -4.05 -0.02 0.00 1.34 0.00 0.00 72.50 69.64 1pfh s THR 7 CO 0.02 0.37 0.10 -0.63 -0.54 0.00 0.00 174.62 173.94 1pfh s ILE 8 N -1.22 4.41 -0.28 2.99 1.01 -0.85 -4.95 121.20 122.32 1pfh s ILE 8 Ca 0.44 -0.29 0.08 0.00 0.00 0.00 0.00 60.65 60.88 1pfh s ILE 8 Cb -0.29 -3.14 -0.09 0.00 0.01 0.00 0.00 42.46 38.95 1pfh s ILE 8 CO 0.37 0.22 0.29 0.35 0.00 0.00 0.00 174.94 176.17 1pfh n THR 9 N 4.94 0.00 -1.90 2.92 -2.24 -1.26 -0.53 114.28 116.21 1pfh n THR 9 Ca -0.15 -0.29 -0.42 0.00 -2.27 0.00 0.00 64.05 60.92 1pfh n THR 9 Cb 0.50 0.84 -0.02 0.00 -2.10 0.00 0.00 70.33 69.55 1pfh n THR 9 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pfh s ALA 10 N -1.91 3.74 0.20 6.98 0.00 -1.26 -4.85 121.76 124.66 1pfh s ALA 10 Ca 0.01 1.43 -0.20 0.00 0.00 0.00 0.00 51.96 53.20 1pfh s ALA 10 Cb 0.06 -3.62 0.16 0.00 0.00 0.00 0.00 23.12 19.71 1pfh s ALA 10 CO 0.31 -0.83 1.57 -1.35 0.00 0.00 0.00 175.76 175.46 1pfh h PRO 11 N 5.83 -0.09 0.02 0.00 0.11 -1.96 -3.11 132.00 132.81 1pfh h PRO 11 Ca -0.45 0.01 -0.39 0.00 0.11 0.00 0.00 66.00 65.28 1pfh h PRO 11 Cb 1.21 0.02 -0.06 0.00 0.11 0.00 0.00 31.00 32.28 1pfh h PRO 11 CO 0.85 -0.06 -2.35 0.27 -0.21 0.00 0.00 178.00 176.50 1pfh n ASN 12 N -5.44 2.00 0.00 -2.05 0.23 -1.26 -3.91 115.26 104.83 1pfh n ASN 12 Ca 0.06 0.02 0.00 0.00 -0.53 0.00 0.00 54.58 54.13 1pfh n ASN 12 Cb 0.37 -0.58 0.00 0.00 -2.08 0.00 0.00 39.78 37.49 1pfh n ASN 12 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1pfh n GLY 13 N 2.03 2.89 4.03 4.83 0.00 -1.18 -4.25 105.19 113.53 1pfh n GLY 13 Ca -0.44 -0.27 -0.21 0.00 0.00 0.00 0.00 46.02 45.10 1pfh n GLY 13 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pfh s LEU 14 N 0.00 3.03 0.26 0.99 1.43 -0.37 -4.82 118.68 119.20 1pfh s LEU 14 Ca 0.00 -0.77 -0.10 0.00 -1.03 0.00 0.00 54.13 52.23 1pfh s LEU 14 Cb 0.00 -1.62 0.38 0.00 0.03 0.00 0.00 46.19 44.98 1pfh s LEU 14 CO 0.00 -1.54 1.58 0.71 0.23 0.00 0.00 176.35 177.33 1pfh h THR 16 N -0.05 0.11 0.00 5.49 1.35 -1.92 0.22 112.91 118.11 1pfh h THR 16 Ca -0.31 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.54 1pfh h THR 16 Cb 1.28 0.11 0.00 0.00 -1.73 0.00 0.00 68.15 67.81 1pfh h THR 16 CO 0.40 0.00 -0.06 0.03 -0.25 0.00 0.00 175.52 175.63 1pfh h ARG 17 N -0.00 0.04 -0.10 4.72 2.47 -1.97 -0.71 114.38 118.83 1pfh h ARG 17 Ca 0.42 -0.05 -0.05 0.00 -1.26 0.00 0.00 59.98 59.04 1pfh h ARG 17 Cb 0.65 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.97 1pfh h ARG 17 CO -0.91 0.85 -0.17 -1.35 0.56 0.00 0.00 179.97 178.95 1pfh h PRO 18 N -0.75 0.17 -0.92 0.04 0.11 -1.84 -2.52 132.00 126.29 1pfh h PRO 18 Ca -0.01 -0.04 0.05 0.00 0.11 0.00 0.00 66.00 66.11 1pfh h PRO 18 Cb 0.87 -0.02 -0.06 0.00 0.11 0.00 0.00 31.00 31.90 1pfh h PRO 18 CO 0.01 0.34 0.60 0.00 -0.21 0.00 0.00 178.00 178.74 1pfh h ALA 19 N 1.68 1.45 -1.01 -0.75 0.00 -0.58 -1.44 119.26 118.61 1pfh h ALA 19 Ca 0.03 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1pfh h ALA 19 Cb 0.39 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 1pfh h ALA 19 CO 0.03 0.44 0.67 0.00 0.00 0.00 0.00 179.25 180.39 1pfh h ALA 20 N 1.48 1.29 -0.47 0.00 0.00 -0.68 -1.82 119.26 119.06 1pfh h ALA 20 Ca 0.38 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 1pfh h ALA 20 Cb 0.09 -0.40 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 1pfh h ALA 20 CO -0.13 0.65 0.25 1.96 0.00 0.00 0.00 179.25 181.98 1pfh h GLN 21 N 1.35 0.67 -0.72 0.00 4.20 -1.25 -1.80 115.11 117.56 1pfh h GLN 21 Ca 0.37 -0.09 0.08 0.00 0.06 0.00 0.00 58.65 59.08 1pfh h GLN 21 Cb -0.14 -0.13 -0.07 0.00 0.30 0.00 0.00 27.48 27.45 1pfh h GLN 21 CO -0.09 0.54 0.38 0.35 -0.67 0.00 0.00 178.83 179.35 1pfh h PHE 22 N 0.62 0.69 0.10 2.96 3.04 -0.94 -1.71 116.94 121.69 1pfh h PHE 22 Ca 0.16 0.03 -0.00 0.00 3.98 0.00 0.00 57.97 62.14 1pfh h PHE 22 Cb 0.08 -0.20 0.00 0.00 2.56 0.00 0.00 35.95 38.39 1pfh h PHE 22 CO -0.01 0.28 -0.05 0.28 -2.02 0.00 0.00 178.31 176.79 1pfh h VAL 23 N 0.66 0.97 -0.68 1.41 2.07 -1.09 -0.17 116.25 119.41 1pfh h VAL 23 Ca 0.35 -0.22 0.15 0.00 0.82 0.00 0.00 66.70 67.80 1pfh h VAL 23 Cb 0.32 1.11 -0.11 0.00 -1.52 0.00 0.00 31.29 31.09 1pfh h VAL 23 CO -0.24 0.05 0.03 0.50 0.02 0.00 0.00 177.57 177.93 1pfh h LYS 24 N -0.23 0.14 0.05 1.57 3.11 -0.80 -1.27 116.57 119.14 1pfh h LYS 24 Ca -0.01 -0.01 -0.00 0.00 -2.81 0.00 0.00 60.65 57.82 1pfh h LYS 24 Cb 0.19 -0.03 0.00 0.00 -1.00 0.00 0.00 32.23 31.39 1pfh h LYS 24 CO 0.02 0.09 -0.02 1.49 -2.81 0.00 0.00 179.45 178.22 1pfh h GLU 25 N 0.14 -0.07 -0.87 1.90 4.57 -1.15 -3.29 114.58 115.82 1pfh h GLU 25 Ca 0.36 0.00 0.14 0.00 -1.18 0.00 0.00 59.36 58.69 1pfh h GLU 25 Cb 0.61 0.02 -0.07 0.00 -0.16 0.00 0.00 28.75 29.15 1pfh h GLU 25 CO -0.56 0.35 0.56 0.00 -1.18 0.00 0.00 179.01 178.18 1pfh h ALA 26 N 0.41 1.89 0.00 2.92 0.00 -0.72 0.10 119.26 123.86 1pfh h ALA 26 Ca -0.01 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1pfh h ALA 26 Cb 0.45 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1pfh h ALA 26 CO 0.01 -0.12 -0.02 0.87 0.00 0.00 0.00 179.25 179.99 1pfh h LYS 27 N 0.64 0.00 0.00 0.00 1.57 -1.30 -2.58 116.57 114.90 1pfh h LYS 27 Ca 0.43 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.18 1pfh h LYS 27 Cb 0.74 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.05 1pfh h LYS 27 CO -0.19 0.02 -0.16 0.78 -0.57 0.00 0.00 179.45 179.34 1pfh h GLY 28 N 0.10 0.00 -3.57 3.86 0.00 -0.88 -3.45 103.07 99.13 1pfh h GLY 28 Ca -0.00 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.80 1pfh h GLY 28 CO 0.00 0.00 -0.08 -1.36 0.00 0.00 0.00 176.54 175.10 1pfh s PHE 29 N -3.76 3.44 0.13 5.60 0.08 -0.97 -5.02 117.98 117.48 1pfh s PHE 29 Ca -0.00 0.95 -0.10 0.00 0.12 0.00 0.00 56.93 57.90 1pfh s PHE 29 Cb 0.11 -2.32 -0.07 0.00 -0.57 0.00 0.00 43.02 40.17 1pfh s PHE 29 CO 0.60 0.27 1.41 1.79 -0.10 0.00 0.00 175.22 179.19 1pfh h THR 30 N 2.11 1.28 -3.69 0.64 1.35 -1.87 -3.45 112.91 109.29 1pfh h THR 30 Ca -0.47 -1.77 -0.53 0.00 -0.55 0.00 0.00 66.41 63.10 1pfh h THR 30 Cb 1.17 1.68 0.07 0.00 -1.73 0.00 0.00 68.15 69.34 1pfh h THR 30 CO 0.68 0.57 0.70 -0.94 -0.25 0.00 0.00 175.52 176.28 1pfh s SER 31 N -6.96 6.69 -0.59 5.36 1.04 -1.26 -4.86 113.70 113.11 1pfh s SER 31 Ca -0.10 2.71 -0.25 0.00 0.48 0.00 0.00 55.95 58.79 1pfh s SER 31 Cb 0.10 -2.64 0.04 0.00 0.10 0.00 0.00 66.02 63.63 1pfh s SER 31 CO 0.89 -0.63 1.01 -0.70 0.98 0.00 0.00 173.24 174.78 1pfh s GLU 32 N -1.25 3.30 -0.82 4.02 2.12 -0.49 -4.83 118.70 120.75 1pfh s GLU 32 Ca 0.53 -0.30 -0.25 0.00 0.36 0.00 0.00 54.97 55.31 1pfh s GLU 32 Cb -0.41 -4.09 -0.01 0.00 0.26 0.00 0.00 34.13 29.87 1pfh s GLU 32 CO 0.50 -1.63 1.75 0.42 -0.54 0.00 0.00 175.26 175.75 1pfh s ILE 33 N 4.26 3.54 -0.37 -3.70 -1.09 -1.25 -2.35 121.20 120.24 1pfh s ILE 33 Ca 0.31 -0.18 -0.22 0.00 -2.23 0.00 0.00 60.65 58.33 1pfh s ILE 33 Cb -0.12 -4.29 0.01 0.00 -1.58 0.00 0.00 42.46 36.47 1pfh s ILE 33 CO 0.18 -1.23 0.70 0.42 -1.23 0.00 0.00 174.94 173.78 1pfh s THR 34 N 8.32 4.81 -0.63 2.92 -4.23 -0.28 -0.47 115.64 126.08 1pfh s THR 34 Ca 0.60 0.64 -0.15 0.00 -1.18 0.00 0.00 61.69 61.61 1pfh s THR 34 Cb -0.07 -4.15 0.16 0.00 1.34 0.00 0.00 72.50 69.77 1pfh s THR 34 CO 0.06 -0.41 0.58 -0.69 -0.54 0.00 0.00 174.62 173.62 1pfh s VAL 35 N 2.90 5.27 -0.32 2.29 1.01 0.18 -0.88 120.40 130.86 1pfh s VAL 35 Ca 0.27 -1.86 -0.22 0.00 0.00 0.00 0.00 61.98 60.16 1pfh s VAL 35 Cb -0.14 -4.34 -0.00 0.00 0.00 0.00 0.00 36.38 31.90 1pfh s VAL 35 CO 0.16 -0.92 0.74 -0.89 0.00 0.00 0.00 175.10 174.19 1pfh s THR 36 N 1.08 4.83 -0.37 3.92 2.01 -0.70 -1.19 115.64 125.21 1pfh s THR 36 Ca 0.08 1.02 -0.05 0.00 0.31 0.00 0.00 61.69 63.05 1pfh s THR 36 Cb -0.23 -4.11 0.07 0.00 0.01 0.00 0.00 72.50 68.24 1pfh s THR 36 CO -0.01 -0.25 0.15 -0.55 -0.69 0.00 0.00 174.62 173.26 1pfh s SER 37 N 1.67 5.28 -0.86 3.53 0.15 -0.33 -1.30 113.70 121.84 1pfh s SER 37 Ca 0.30 -1.52 -0.03 0.00 0.70 0.00 0.00 55.95 55.41 1pfh s SER 37 Cb -0.14 -1.85 0.00 0.00 -1.71 0.00 0.00 66.02 62.32 1pfh s SER 37 CO 0.13 -0.42 0.61 -0.46 1.20 0.00 0.00 173.24 174.29 1pfh n ASN 38 N 4.73 -4.76 0.00 5.45 0.23 -1.26 -2.19 115.26 117.45 1pfh n ASN 38 Ca -0.09 -1.00 0.00 0.00 -0.53 0.00 0.00 54.58 52.96 1pfh n ASN 38 Cb 0.43 -1.63 0.00 0.00 -2.08 0.00 0.00 39.78 36.50 1pfh n ASN 38 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1pfh n GLY 39 N -1.68 1.60 3.55 4.83 0.00 -1.26 -4.93 105.19 107.29 1pfh n GLY 39 Ca -0.31 -0.23 -0.38 0.00 0.00 0.00 0.00 46.02 45.10 1pfh n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pfh s LYS 40 N 0.00 2.79 -0.50 1.61 1.02 -0.93 -4.96 119.74 118.77 1pfh s LYS 40 Ca 0.00 0.28 -0.26 0.00 0.02 0.00 0.00 55.97 56.01 1pfh s LYS 40 Cb 0.00 -4.41 0.03 0.00 -0.52 0.00 0.00 37.83 32.93 1pfh s LYS 40 CO 0.00 -2.61 1.00 -1.12 -0.92 0.00 0.00 175.35 171.70 1pfh s SER 41 N 6.88 6.47 -0.27 2.83 0.01 -1.26 -1.18 113.70 127.17 1pfh s SER 41 Ca 0.58 0.05 -0.04 0.00 1.31 0.00 0.00 55.95 57.85 1pfh s SER 41 Cb -0.11 -2.48 0.02 0.00 0.21 0.00 0.00 66.02 63.66 1pfh s SER 41 CO 0.17 -1.19 0.01 0.00 0.41 0.00 0.00 173.24 172.64 1pfh s ALA 42 N 4.08 2.89 0.05 1.44 0.00 -0.33 -4.94 121.76 124.96 1pfh s ALA 42 Ca 0.38 -1.45 -0.31 0.00 0.00 0.00 0.00 51.96 50.58 1pfh s ALA 42 Cb -0.10 -1.93 -0.07 0.00 0.00 0.00 0.00 23.12 21.02 1pfh s ALA 42 CO 0.25 -0.86 1.54 0.45 0.00 0.00 0.00 175.76 177.14 1pfh s SER 43 N 1.42 6.70 0.00 0.00 0.15 -1.26 -0.64 113.70 120.07 1pfh s SER 43 Ca 0.01 2.35 0.26 0.00 0.70 0.00 0.00 55.95 59.28 1pfh s SER 43 Cb -0.17 -2.57 1.31 0.00 -1.71 0.00 0.00 66.02 62.89 1pfh s SER 43 CO -0.01 -0.81 1.87 0.00 1.20 0.00 0.00 173.24 175.49 1pfh n ALA 44 N 5.30 2.30 1.61 5.45 0.00 0.38 -2.37 120.51 133.18 1pfh n ALA 44 Ca 0.14 -0.12 0.05 0.00 0.00 0.00 0.00 53.44 53.51 1pfh n ALA 44 Cb 0.42 -1.42 0.19 0.00 0.00 0.00 0.00 19.45 18.64 1pfh n ALA 44 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1pfh n LYS 45 N -1.26 1.30 -3.75 0.00 5.02 -1.26 -4.24 118.16 113.97 1pfh n LYS 45 Ca 0.13 -0.47 -0.13 0.00 -2.02 0.00 0.00 58.31 55.82 1pfh n LYS 45 Cb 0.19 -1.18 -0.14 0.00 -0.02 0.00 0.00 35.03 33.89 1pfh n LYS 45 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1pfh s SER 46 N -1.18 -0.16 0.01 4.39 0.15 -1.00 -4.92 113.70 111.00 1pfh s SER 46 Ca 0.15 0.36 -0.06 0.00 0.70 0.00 0.00 55.95 57.10 1pfh s SER 46 Cb 0.08 0.26 -0.03 0.00 -1.71 0.00 0.00 66.02 64.62 1pfh s SER 46 CO 0.12 -0.14 1.10 -0.07 1.20 0.00 0.00 173.24 175.44 1pfh h LEU 47 N 7.10 -0.23 -1.07 3.45 -0.00 -1.87 -2.91 115.31 119.78 1pfh h LEU 47 Ca -0.41 0.02 0.12 0.00 -0.00 0.00 0.00 57.88 57.61 1pfh h LEU 47 Cb 1.15 0.07 -0.08 0.00 -0.00 0.00 0.00 40.66 41.80 1pfh h LEU 47 CO 0.41 -0.12 0.62 -0.26 -0.00 0.00 0.00 178.44 179.09 1pfh h PHE 48 N -0.19 1.08 0.29 1.13 -1.00 -1.99 -2.60 116.94 113.67 1pfh h PHE 48 Ca -0.01 0.03 -0.00 0.00 2.81 0.00 0.00 57.97 60.80 1pfh h PHE 48 Cb 0.16 -0.34 -0.02 0.00 3.61 0.00 0.00 35.95 39.35 1pfh h PHE 48 CO -0.03 0.43 -0.27 0.87 -1.61 0.00 0.00 178.31 177.69 1pfh h LYS 49 N 0.94 -0.56 -0.07 1.51 1.79 -1.79 -2.24 116.57 116.14 1pfh h LYS 49 Ca 0.48 0.04 -0.02 0.00 -2.18 0.00 0.00 60.65 58.97 1pfh h LYS 49 Cb 0.52 0.13 -0.00 0.00 -1.58 0.00 0.00 32.23 31.30 1pfh h LYS 49 CO -0.25 -0.38 -0.03 1.25 -1.08 0.00 0.00 179.45 178.97 1pfh h LEU 50 N -0.59 0.15 -1.44 2.94 5.85 -1.41 -3.35 115.31 117.46 1pfh h LEU 50 Ca -0.01 -0.40 -0.01 0.00 0.84 0.00 0.00 57.88 58.29 1pfh h LEU 50 Cb 0.53 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 1pfh h LEU 50 CO -0.04 0.51 0.19 1.56 -0.34 0.00 0.00 178.44 180.32 1pfh h GLN 51 N -0.22 0.57 0.00 1.25 4.20 -1.23 -2.04 115.11 117.64 1pfh h GLN 51 Ca 0.02 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.66 1pfh h GLN 51 Cb 0.45 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.12 1pfh h GLN 51 CO 0.01 0.45 -0.00 0.00 -0.67 0.00 0.00 178.83 178.61 1pfh h THR 52 N 0.57 0.00 -0.28 -0.54 1.03 -1.54 -3.35 112.91 108.81 1pfh h THR 52 Ca 0.14 -0.61 -0.15 0.00 -0.01 0.00 0.00 66.41 65.78 1pfh h THR 52 Cb 0.07 1.61 -0.01 0.00 -1.07 0.00 0.00 68.15 68.75 1pfh h THR 52 CO -0.02 0.00 -0.44 0.25 -0.01 0.00 0.00 175.52 175.30 1pfh h LEU 53 N 0.00 0.76 -1.72 0.00 5.85 -1.52 -3.49 115.31 115.19 1pfh h LEU 53 Ca -0.00 -0.36 0.00 0.00 0.84 0.00 0.00 57.88 58.36 1pfh h LEU 53 Cb 0.61 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.43 1pfh h LEU 53 CO 0.00 1.09 0.00 0.61 -0.34 0.00 0.00 178.44 179.80 1pfh n GLY 54 N 0.12 0.07 3.50 3.75 0.00 -1.26 -5.02 105.19 106.36 1pfh n GLY 54 Ca -0.02 -0.40 -0.42 0.00 0.00 0.00 0.00 46.02 45.18 1pfh n GLY 54 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pfh s LEU 55 N -0.93 4.17 0.00 0.99 1.43 -1.26 -4.92 118.68 118.16 1pfh s LEU 55 Ca 0.00 -1.46 0.03 0.00 -1.03 0.00 0.00 54.13 51.67 1pfh s LEU 55 Cb 0.00 -2.48 -0.01 0.00 0.03 0.00 0.00 46.19 43.73 1pfh s LEU 55 CO 0.00 -1.38 0.16 1.07 0.23 0.00 0.00 176.35 176.44 1pfh n THR 56 N 6.16 0.00 -1.58 5.49 5.66 -1.26 -1.24 114.28 127.51 1pfh n THR 56 Ca 0.20 -1.19 -0.46 0.00 -3.05 0.00 0.00 64.05 59.54 1pfh n THR 56 Cb 0.49 0.62 -0.04 0.00 -1.55 0.00 0.00 70.33 69.84 1pfh n THR 56 CO 0.00 0.00 0.00 1.67 -3.05 0.00 0.00 175.07 173.69 1pfh n GLN 57 N -0.32 1.84 0.00 1.09 7.27 -1.21 -1.42 117.38 124.63 1pfh n GLN 57 Ca 0.03 0.57 0.00 0.00 0.07 0.00 0.00 57.00 57.67 1pfh n GLN 57 Cb 0.31 -2.89 0.00 0.00 2.41 0.00 0.00 30.24 30.07 1pfh n GLN 57 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1pfh n GLY 58 N 5.61 1.04 3.57 1.69 0.00 0.31 -5.00 105.19 112.40 1pfh n GLY 58 Ca 0.31 -0.09 -0.40 0.00 0.00 0.00 0.00 46.02 45.84 1pfh n GLY 58 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1pfh s THR 59 N -1.25 3.45 -0.13 2.61 -4.23 -0.51 -4.75 115.64 110.83 1pfh s THR 59 Ca 0.00 0.35 -0.29 0.00 -1.18 0.00 0.00 61.69 60.57 1pfh s THR 59 Cb 0.00 -3.91 -0.04 0.00 1.34 0.00 0.00 72.50 69.88 1pfh s THR 59 CO 0.00 -0.79 1.64 -0.69 -0.54 0.00 0.00 174.62 174.24 1pfh s VAL 60 N 8.06 3.64 -0.28 2.29 1.01 -1.26 -2.00 120.40 131.86 1pfh s VAL 60 Ca 0.69 0.75 0.01 0.00 0.00 0.00 0.00 61.98 63.43 1pfh s VAL 60 Cb -0.15 -3.56 0.06 0.00 0.00 0.00 0.00 36.38 32.73 1pfh s VAL 60 CO 0.25 -0.15 -0.07 0.68 0.00 0.00 0.00 175.10 175.82 1pfh s VAL 61 N 4.59 2.46 -1.06 2.92 -7.23 0.40 -4.27 120.40 118.21 1pfh s VAL 61 Ca 0.73 -1.58 -0.22 0.00 -1.81 0.00 0.00 61.98 59.09 1pfh s VAL 61 Cb -0.30 -2.45 0.01 0.00 0.56 0.00 0.00 36.38 34.20 1pfh s VAL 61 CO 0.29 -0.08 1.71 -0.89 -0.31 0.00 0.00 175.10 175.82 1pfh s THR 62 N 1.15 3.77 -0.86 5.32 2.01 -0.42 -1.88 115.64 124.73 1pfh s THR 62 Ca -0.07 -0.88 -0.25 0.00 0.31 0.00 0.00 61.69 60.80 1pfh s THR 62 Cb -0.20 -4.72 0.03 0.00 0.01 0.00 0.00 72.50 67.62 1pfh s THR 62 CO -0.04 -1.55 1.42 -0.63 -0.69 0.00 0.00 174.62 173.14 1pfh s ILE 63 N 7.11 3.77 -0.19 1.82 1.01 -0.33 -1.73 121.20 132.66 1pfh s ILE 63 Ca 0.57 -0.13 -0.06 0.00 0.00 0.00 0.00 60.65 61.02 1pfh s ILE 63 Cb -0.01 -4.87 -0.04 0.00 0.01 0.00 0.00 42.46 37.55 1pfh s ILE 63 CO -0.01 -1.78 0.04 -0.44 0.00 0.00 0.00 174.94 172.75 1pfh s SER 64 N 4.76 5.34 -0.24 3.58 0.01 -0.06 -1.40 113.70 125.69 1pfh s SER 64 Ca 0.44 -0.02 -0.02 0.00 1.31 0.00 0.00 55.95 57.65 1pfh s SER 64 Cb -0.05 -1.91 0.02 0.00 0.21 0.00 0.00 66.02 64.29 1pfh s SER 64 CO 0.04 0.14 -0.06 0.00 0.41 0.00 0.00 173.24 173.77 1pfh s ALA 65 N 0.59 2.72 -0.55 1.44 0.00 -0.71 -1.12 121.76 124.14 1pfh s ALA 65 Ca 0.02 -1.41 -0.10 0.00 0.00 0.00 0.00 51.96 50.48 1pfh s ALA 65 Cb -0.13 -1.70 0.14 0.00 0.00 0.00 0.00 23.12 21.43 1pfh s ALA 65 CO 0.02 -0.74 0.43 -2.00 0.00 0.00 0.00 175.76 173.47 1pfh s GLU 66 N 1.36 2.69 0.00 0.00 2.12 -0.99 -3.90 118.70 119.98 1pfh s GLU 66 Ca 0.01 -1.96 0.00 0.00 0.36 0.00 0.00 54.97 53.39 1pfh s GLU 66 Cb -0.16 -4.01 0.00 0.00 0.26 0.00 0.00 34.13 30.22 1pfh s GLU 66 CO -0.04 -1.22 0.00 0.41 -0.54 0.00 0.00 175.26 173.87 1pfh n GLY 67 N 4.63 -0.44 0.29 -1.50 0.00 -1.26 -1.40 105.19 105.51 1pfh n GLY 67 Ca -0.03 -1.63 -0.13 0.00 0.00 0.00 0.00 46.02 44.22 1pfh n GLY 67 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1pfh h GLU 68 N 3.81 -0.47 -0.99 1.61 5.08 -1.94 -2.52 114.58 119.16 1pfh h GLU 68 Ca 0.00 0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.31 1pfh h GLU 68 Cb 0.00 0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.31 1pfh h GLU 68 CO 0.00 -0.31 0.10 -0.40 -1.00 0.00 0.00 179.01 177.40 1pfh n ASP 69 N -5.38 2.99 -0.37 1.42 5.68 -1.26 -4.68 116.55 114.95 1pfh n ASP 69 Ca -0.07 -2.27 -0.10 0.00 -0.50 0.00 0.00 54.79 51.85 1pfh n ASP 69 Cb 0.29 -0.56 -0.09 0.00 -1.14 0.00 0.00 41.12 39.62 1pfh n ASP 69 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 1pfh n GLU 70 N 0.20 -0.39 0.00 0.11 0.28 -0.95 -1.45 120.64 118.44 1pfh n GLU 70 Ca 0.10 1.39 -0.10 0.00 -0.16 0.00 0.00 57.16 58.39 1pfh n GLU 70 Cb 0.68 -2.04 -0.04 0.00 1.43 0.00 0.00 31.44 31.46 1pfh n GLU 70 CO 0.00 0.00 0.00 -0.56 -0.16 0.00 0.00 177.13 176.41 1pfh h GLN 71 N 0.00 -0.07 -0.55 3.44 -0.00 -1.88 -2.91 115.11 113.13 1pfh h GLN 71 Ca 0.14 0.00 -0.11 0.00 -0.00 0.00 0.00 58.65 58.68 1pfh h GLN 71 Cb 0.36 0.01 -0.02 0.00 -0.00 0.00 0.00 27.48 27.84 1pfh h GLN 71 CO -0.83 -0.04 -0.09 0.87 -0.00 0.00 0.00 178.83 178.74 1pfh h LYS 72 N -0.07 1.04 0.21 0.06 1.57 -1.71 0.24 116.57 117.92 1pfh h LYS 72 Ca 0.06 -0.38 -0.01 0.00 -1.87 0.00 0.00 60.65 58.46 1pfh h LYS 72 Cb 0.16 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.40 1pfh h LYS 72 CO -0.15 1.08 -0.13 0.00 -0.57 0.00 0.00 179.45 179.68 1pfh h ALA 73 N 0.94 -0.31 -0.03 3.86 0.00 -1.20 -0.05 119.26 122.46 1pfh h ALA 73 Ca 0.15 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1pfh h ALA 73 Cb 0.67 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 1pfh h ALA 73 CO 0.05 -0.68 0.01 0.28 0.00 0.00 0.00 179.25 178.91 1pfh h VAL 74 N -0.32 1.15 -0.13 0.00 2.07 -1.30 -2.14 116.25 115.58 1pfh h VAL 74 Ca -0.02 -0.43 0.04 0.00 0.82 0.00 0.00 66.70 67.11 1pfh h VAL 74 Cb 0.27 1.37 -0.07 0.00 -1.52 0.00 0.00 31.29 31.35 1pfh h VAL 74 CO 0.02 0.12 -0.43 -0.08 0.02 0.00 0.00 177.57 177.21 1pfh h GLU 75 N -0.12 -0.49 0.05 1.57 4.81 -0.85 -0.89 114.58 118.66 1pfh h GLU 75 Ca 0.01 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1pfh h GLU 75 Cb 0.18 0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.66 1pfh h GLU 75 CO -0.00 -0.32 -0.05 1.25 -0.73 0.00 0.00 179.01 179.16 1pfh h HIS 76 N -0.51 -0.12 -0.49 0.92 2.76 -0.97 -2.27 115.15 114.48 1pfh h HIS 76 Ca 0.07 0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.20 1pfh h HIS 76 Cb 0.64 0.04 -0.02 0.00 1.55 0.00 0.00 27.41 29.62 1pfh h HIS 76 CO -0.50 -0.07 0.13 -0.07 -1.30 0.00 0.00 177.93 176.12 1pfh h LEU 77 N -0.11 0.67 -0.12 0.26 3.38 -1.06 -0.42 115.31 117.92 1pfh h LEU 77 Ca 0.00 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 1pfh h LEU 77 Cb 0.10 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1pfh h LEU 77 CO -0.01 0.66 0.06 0.58 0.09 0.00 0.00 178.44 179.82 1pfh h VAL 78 N 0.71 1.11 0.11 1.22 2.07 -1.09 -2.05 116.25 118.33 1pfh h VAL 78 Ca 0.16 -0.30 0.02 0.00 0.82 0.00 0.00 66.70 67.40 1pfh h VAL 78 Cb 0.24 1.09 -0.04 0.00 -1.52 0.00 0.00 31.29 31.06 1pfh h VAL 78 CO -0.01 0.10 -0.32 0.11 0.02 0.00 0.00 177.57 177.47 1pfh h LYS 79 N 0.08 -0.52 -0.43 1.57 1.57 -0.87 -1.24 116.57 116.74 1pfh h LYS 79 Ca 0.04 0.04 0.08 0.00 -1.87 0.00 0.00 60.65 58.94 1pfh h LYS 79 Cb 0.10 0.12 -0.07 0.00 0.08 0.00 0.00 32.23 32.45 1pfh h LYS 79 CO -0.01 -0.35 -0.02 1.25 -0.57 0.00 0.00 179.45 179.76 1pfh h LEU 80 N -0.54 -0.22 -0.52 2.94 5.85 -1.07 0.17 115.31 121.93 1pfh h LEU 80 Ca 0.03 0.11 0.04 0.00 0.84 0.00 0.00 57.88 58.90 1pfh h LEU 80 Cb 0.57 0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.75 1pfh h LEU 80 CO -0.19 -0.07 0.27 -0.03 -0.34 0.00 0.00 178.44 178.08 1pfh h MET 81 N 0.09 0.52 0.00 1.25 4.05 -1.24 -2.29 114.93 117.30 1pfh h MET 81 Ca 0.21 -0.03 -0.07 0.00 -0.28 0.00 0.00 59.70 59.53 1pfh h MET 81 Cb 0.31 -0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 30.99 1pfh h MET 81 CO -0.37 0.34 -0.35 0.00 0.23 0.00 0.00 176.91 176.75 1pfh h ALA 82 N 1.28 0.94 -0.08 0.39 0.00 0.12 -3.30 119.26 118.60 1pfh h ALA 82 Ca 0.23 -0.32 -0.22 0.00 0.00 0.00 0.00 54.91 54.60 1pfh h ALA 82 Cb 0.12 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.87 1pfh h ALA 82 CO -0.15 0.44 -0.80 0.93 0.00 0.00 0.00 179.25 179.67 1pfh h GLU 83 N 0.00 0.68 -7.10 0.00 5.08 -0.30 -3.47 114.58 109.47 1pfh h GLU 83 Ca -0.00 -0.63 -0.52 0.00 -1.00 0.00 0.00 59.36 57.21 1pfh h GLU 83 Cb 0.95 0.15 0.10 0.00 0.50 0.00 0.00 28.75 30.45 1pfh h GLU 83 CO 0.05 1.23 0.45 -0.51 -1.00 0.00 0.00 179.01 179.23 1pfh s LEU 84 N -8.34 3.66 0.00 1.33 1.43 -0.90 -5.10 118.68 110.76 1pfh s LEU 84 Ca -0.11 2.29 0.24 0.00 -1.03 0.00 0.00 54.13 55.52 1pfh s LEU 84 Cb 0.07 -4.59 0.24 0.00 0.03 0.00 0.00 46.19 41.93 1pfh s LEU 84 CO 0.89 -1.50 1.29 1.21 0.23 0.00 0.00 176.35 178.47