#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 3.04 -0.19 1.12 5.36 0.39 -4.99 117.98 122.71 1pfh s PHE 2 Ca 0.00 -2.09 -0.05 0.00 -0.96 0.00 0.00 56.93 53.82 1pfh s PHE 2 Cb 0.00 -1.88 -0.03 0.00 -0.34 0.00 0.00 43.02 40.77 1pfh s PHE 2 CO 0.00 -0.85 0.01 -1.14 -1.46 0.00 0.00 175.22 171.78 1pfh s GLN 3 N 1.18 3.70 -0.16 10.12 0.74 -1.26 -1.62 119.66 132.36 1pfh s GLN 3 Ca -0.05 -0.48 0.01 0.00 0.05 0.00 0.00 55.36 54.88 1pfh s GLN 3 Cb -0.18 -3.08 0.02 0.00 1.10 0.00 0.00 33.01 30.87 1pfh s GLN 3 CO -0.07 0.11 -0.16 -0.65 -0.55 0.00 0.00 175.29 173.97 1pfh s GLN 4 N 0.74 2.54 -0.75 1.67 -0.21 0.12 -5.00 119.66 118.77 1pfh s GLN 4 Ca 0.00 -0.65 -0.15 0.00 0.02 0.00 0.00 55.36 54.58 1pfh s GLN 4 Cb -0.14 -2.26 0.19 0.00 1.00 0.00 0.00 33.01 31.80 1pfh s GLN 4 CO 0.02 -0.22 0.70 -1.21 -2.12 0.00 0.00 175.29 172.46 1pfh s GLU 5 N 1.40 3.44 0.03 2.91 2.02 -1.25 -0.29 118.70 126.96 1pfh s GLU 5 Ca 0.05 -2.26 0.09 0.00 0.02 0.00 0.00 54.97 52.87 1pfh s GLU 5 Cb -0.13 -4.40 -0.03 0.00 0.10 0.00 0.00 34.13 29.68 1pfh s GLU 5 CO -0.11 -1.31 -0.25 0.14 0.02 0.00 0.00 175.26 173.75 1pfh s VAL 6 N 0.57 2.24 0.05 2.63 -7.23 -0.66 -4.85 120.40 113.14 1pfh s VAL 6 Ca 0.14 -1.28 -0.30 0.00 -1.81 0.00 0.00 61.98 58.73 1pfh s VAL 6 Cb -0.15 -1.86 -0.04 0.00 0.56 0.00 0.00 36.38 34.88 1pfh s VAL 6 CO -0.06 0.42 1.03 0.42 -0.31 0.00 0.00 175.10 176.60 1pfh s THR 7 N -0.78 4.55 -0.31 5.32 -4.23 -1.26 -0.44 115.64 118.49 1pfh s THR 7 Ca 0.12 1.91 -0.18 0.00 -1.18 0.00 0.00 61.69 62.36 1pfh s THR 7 Cb -0.10 -4.22 -0.01 0.00 1.34 0.00 0.00 72.50 69.50 1pfh s THR 7 CO 0.02 0.19 0.54 -0.63 -0.54 0.00 0.00 174.62 174.20 1pfh s ILE 8 N 0.70 5.01 -0.04 2.99 1.01 0.19 -4.92 121.20 126.14 1pfh s ILE 8 Ca 0.52 0.61 0.04 0.00 0.00 0.00 0.00 60.65 61.82 1pfh s ILE 8 Cb -0.24 -3.93 -0.06 0.00 0.01 0.00 0.00 42.46 38.25 1pfh s ILE 8 CO 0.29 -0.11 0.10 0.35 0.00 0.00 0.00 174.94 175.57 1pfh n THR 9 N 5.35 0.00 -1.65 2.92 -2.24 -1.26 -0.73 114.28 116.66 1pfh n THR 9 Ca -0.04 -0.16 -0.47 0.00 -2.27 0.00 0.00 64.05 61.11 1pfh n THR 9 Cb 0.49 0.54 -0.04 0.00 -2.10 0.00 0.00 70.33 69.22 1pfh n THR 9 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pfh n ALA 10 N -1.52 0.94 0.15 6.98 0.00 -1.26 -4.76 120.51 121.04 1pfh n ALA 10 Ca -0.00 0.46 -0.13 0.00 0.00 0.00 0.00 53.44 53.76 1pfh n ALA 10 Cb 0.09 -2.30 -0.06 0.00 0.00 0.00 0.00 19.45 17.18 1pfh n ALA 10 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1pfh h PRO 11 N 5.69 -0.46 0.11 0.00 0.13 -1.96 -2.58 132.00 132.92 1pfh h PRO 11 Ca -0.45 0.03 -0.33 0.00 -0.87 0.00 0.00 66.00 64.37 1pfh h PRO 11 Cb 1.27 0.10 -0.02 0.00 0.13 0.00 0.00 31.00 32.49 1pfh h PRO 11 CO 0.87 -0.31 -1.80 -2.95 -0.23 0.00 0.00 178.00 173.58 1pfh h ASN 12 N -0.48 0.35 0.00 1.44 7.08 -1.93 -3.25 115.58 118.79 1pfh h ASN 12 Ca 0.00 -0.66 0.00 0.00 -3.08 0.00 0.00 56.30 52.56 1pfh h ASN 12 Cb 0.46 -0.11 0.00 0.00 -2.08 0.00 0.00 38.32 36.58 1pfh h ASN 12 CO -0.07 1.58 0.00 0.61 -2.08 0.00 0.00 177.43 177.47 1pfh n GLY 13 N 1.81 0.94 3.08 9.14 0.00 -1.15 -4.17 105.19 114.86 1pfh n GLY 13 Ca -0.24 -1.28 -0.18 0.00 0.00 0.00 0.00 46.02 44.32 1pfh n GLY 13 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pfh n LEU 14 N 0.00 0.00 -0.25 0.99 4.77 -0.17 -4.92 117.00 117.42 1pfh n LEU 14 Ca 0.00 -2.13 -0.07 0.00 -0.03 0.00 0.00 56.01 53.78 1pfh n LEU 14 Cb 0.00 -0.20 -0.06 0.00 -2.33 0.00 0.00 43.42 40.83 1pfh n LEU 14 CO 0.00 -0.60 0.40 0.35 -1.33 0.00 0.00 177.39 176.21 1pfh n THR 16 N -1.79 -0.41 0.08 -5.08 -2.24 -1.26 -0.43 114.28 103.14 1pfh n THR 16 Ca 0.06 1.80 -0.19 0.00 -2.27 0.00 0.00 64.05 63.45 1pfh n THR 16 Cb 0.49 -2.25 -0.15 0.00 -2.10 0.00 0.00 70.33 66.32 1pfh n THR 16 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 1pfh h ARG 17 N 0.00 0.33 -0.83 -0.78 3.08 -1.98 -0.09 114.38 114.11 1pfh h ARG 17 Ca 0.10 -0.56 -0.03 0.00 0.07 0.00 0.00 59.98 59.55 1pfh h ARG 17 Cb 0.25 0.21 -0.04 0.00 0.08 0.00 0.00 29.97 30.47 1pfh h ARG 17 CO -0.57 1.22 0.39 -1.35 -1.07 0.00 0.00 179.97 178.59 1pfh h PRO 18 N 0.09 1.21 -0.88 0.04 0.11 -1.91 -2.36 132.00 128.31 1pfh h PRO 18 Ca -0.27 -0.18 0.07 0.00 0.11 0.00 0.00 66.00 65.73 1pfh h PRO 18 Cb 2.06 -0.21 -0.06 0.00 0.11 0.00 0.00 31.00 32.90 1pfh h PRO 18 CO 0.18 0.94 0.57 0.00 -0.21 0.00 0.00 178.00 179.48 1pfh h ALA 19 N 1.23 1.56 -0.80 -0.75 0.00 -0.75 -1.77 119.26 117.97 1pfh h ALA 19 Ca 0.29 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 1pfh h ALA 19 Cb 0.14 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 1pfh h ALA 19 CO -0.03 0.30 0.46 0.00 0.00 0.00 0.00 179.25 179.97 1pfh h ALA 20 N 1.53 1.30 -0.45 0.00 0.00 -0.62 -0.83 119.26 120.19 1pfh h ALA 20 Ca 0.38 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.14 1pfh h ALA 20 Cb 0.24 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1pfh h ALA 20 CO -0.14 0.59 0.13 1.96 0.00 0.00 0.00 179.25 181.78 1pfh h GLN 21 N 1.11 0.71 -0.61 0.00 4.20 -0.84 -1.74 115.11 117.94 1pfh h GLN 21 Ca 0.28 -0.16 0.02 0.00 0.06 0.00 0.00 58.65 58.86 1pfh h GLN 21 Cb -0.00 -0.10 -0.04 0.00 0.30 0.00 0.00 27.48 27.64 1pfh h GLN 21 CO -0.05 0.69 0.38 0.35 -0.67 0.00 0.00 178.83 179.54 1pfh h PHE 22 N 0.59 0.72 0.41 2.96 3.57 -1.10 -0.84 116.94 123.25 1pfh h PHE 22 Ca 0.14 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.66 1pfh h PHE 22 Cb 0.29 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 38.77 1pfh h PHE 22 CO 0.02 0.42 -0.52 0.28 -2.23 0.00 0.00 178.31 176.28 1pfh h VAL 23 N 0.76 0.00 -1.01 1.41 2.07 -1.12 -0.58 116.25 117.78 1pfh h VAL 23 Ca 0.24 0.00 0.23 0.00 0.82 0.00 0.00 66.70 67.99 1pfh h VAL 23 Cb -0.01 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 29.65 1pfh h VAL 23 CO -0.09 0.00 0.62 0.50 0.02 0.00 0.00 177.57 178.62 1pfh h LYS 24 N -0.95 0.58 0.37 1.57 3.64 -0.88 -0.76 116.57 120.13 1pfh h LYS 24 Ca -0.05 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.28 1pfh h LYS 24 Cb 0.85 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.55 1pfh h LYS 24 CO -0.12 0.38 -0.18 1.49 -2.27 0.00 0.00 179.45 178.75 1pfh h GLU 25 N 0.59 -0.48 -1.15 1.90 4.57 -1.05 -3.35 114.58 115.61 1pfh h GLU 25 Ca 0.61 0.03 0.33 0.00 -1.18 0.00 0.00 59.36 59.15 1pfh h GLU 25 Cb 1.18 0.11 -0.09 0.00 -0.16 0.00 0.00 28.75 29.79 1pfh h GLU 25 CO -0.40 -0.32 0.76 0.00 -1.18 0.00 0.00 179.01 177.87 1pfh h ALA 26 N -1.73 2.53 -1.14 2.92 0.00 -0.63 -1.21 119.26 120.00 1pfh h ALA 26 Ca -0.05 0.06 0.40 0.00 0.00 0.00 0.00 54.91 55.31 1pfh h ALA 26 Cb 0.38 0.09 -0.15 0.00 0.00 0.00 0.00 17.79 18.11 1pfh h ALA 26 CO 0.08 -0.99 0.68 0.87 0.00 0.00 0.00 179.25 179.90 1pfh h LYS 27 N 0.24 0.13 -0.02 0.00 1.79 -1.29 -1.95 116.57 115.48 1pfh h LYS 27 Ca 0.65 -0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 59.11 1pfh h LYS 27 Cb 1.94 -0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 32.56 1pfh h LYS 27 CO -0.28 0.09 0.00 0.78 -1.08 0.00 0.00 179.45 178.96 1pfh h GLY 28 N 0.13 0.03 -2.97 3.86 0.00 -1.43 -3.45 103.07 99.24 1pfh h GLY 28 Ca 0.80 -0.01 -0.49 0.00 0.00 0.00 0.00 47.33 47.64 1pfh h GLY 28 CO -0.57 0.01 0.42 -1.36 0.00 0.00 0.00 176.54 175.04 1pfh s PHE 29 N -5.06 3.35 0.02 5.60 0.08 -0.74 -4.99 117.98 116.23 1pfh s PHE 29 Ca -0.05 1.66 -0.25 0.00 0.12 0.00 0.00 56.93 58.41 1pfh s PHE 29 Cb 0.17 -3.15 -0.18 0.00 -0.57 0.00 0.00 43.02 39.29 1pfh s PHE 29 CO 0.67 -0.57 1.42 1.79 -0.10 0.00 0.00 175.22 178.43 1pfh h THR 30 N 2.38 1.22 -3.45 0.64 1.35 -1.88 -3.44 112.91 109.73 1pfh h THR 30 Ca -0.48 -0.75 -0.42 0.00 -0.55 0.00 0.00 66.41 64.21 1pfh h THR 30 Cb 1.21 1.73 0.19 0.00 -1.73 0.00 0.00 68.15 69.55 1pfh h THR 30 CO 0.63 0.19 0.07 -0.94 -0.25 0.00 0.00 175.52 175.22 1pfh s SER 31 N -5.50 1.00 -0.51 5.36 1.04 -1.26 -5.03 113.70 108.80 1pfh s SER 31 Ca -0.15 1.04 -0.01 0.00 0.48 0.00 0.00 55.95 57.31 1pfh s SER 31 Cb 0.03 -1.58 0.13 0.00 0.10 0.00 0.00 66.02 64.71 1pfh s SER 31 CO 0.66 -4.12 0.30 -0.70 0.98 0.00 0.00 173.24 170.36 1pfh s GLU 32 N -4.97 2.19 -0.16 4.02 2.12 -1.26 -5.01 118.70 115.62 1pfh s GLU 32 Ca 0.68 -2.26 -0.29 0.00 0.36 0.00 0.00 54.97 53.46 1pfh s GLU 32 Cb -0.17 -3.57 -0.05 0.00 0.26 0.00 0.00 34.13 30.60 1pfh s GLU 32 CO 0.59 -1.11 2.00 0.42 -0.54 0.00 0.00 175.26 176.62 1pfh s ILE 33 N 0.37 3.19 -0.11 -3.70 -1.09 -1.26 -4.80 121.20 113.79 1pfh s ILE 33 Ca 0.14 0.21 -0.03 0.00 -2.23 0.00 0.00 60.65 58.73 1pfh s ILE 33 Cb -0.22 -3.21 -0.03 0.00 -1.58 0.00 0.00 42.46 37.42 1pfh s ILE 33 CO -0.04 -0.10 0.02 0.42 -1.23 0.00 0.00 174.94 174.02 1pfh s THR 34 N 6.59 4.49 -0.13 2.92 -4.23 -0.66 -1.29 115.64 123.33 1pfh s THR 34 Ca 0.90 -0.17 0.02 0.00 -1.18 0.00 0.00 61.69 61.26 1pfh s THR 34 Cb -0.33 -2.93 0.00 0.00 1.34 0.00 0.00 72.50 70.59 1pfh s THR 34 CO 0.35 0.58 -0.20 -0.69 -0.54 0.00 0.00 174.62 174.12 1pfh s VAL 35 N -0.61 2.25 -0.20 2.29 1.01 -0.03 -1.12 120.40 123.99 1pfh s VAL 35 Ca 0.10 -0.93 -0.04 0.00 0.00 0.00 0.00 61.98 61.12 1pfh s VAL 35 Cb -0.12 -1.90 -0.02 0.00 0.00 0.00 0.00 36.38 34.34 1pfh s VAL 35 CO 0.02 0.54 -0.04 -0.89 0.00 0.00 0.00 175.10 174.73 1pfh s THR 36 N 0.68 3.54 -0.13 3.92 2.01 -0.40 -0.87 115.64 124.38 1pfh s THR 36 Ca -0.10 -0.45 0.00 0.00 0.31 0.00 0.00 61.69 61.45 1pfh s THR 36 Cb -0.16 -2.59 0.02 0.00 0.01 0.00 0.00 72.50 69.78 1pfh s THR 36 CO 0.02 0.44 -0.12 -0.55 -0.69 0.00 0.00 174.62 173.72 1pfh s SER 37 N 1.11 2.47 -1.06 3.53 0.15 -0.30 -2.19 113.70 117.41 1pfh s SER 37 Ca 0.02 -0.41 -0.21 0.00 0.70 0.00 0.00 55.95 56.04 1pfh s SER 37 Cb -0.15 -1.04 0.03 0.00 -1.71 0.00 0.00 66.02 63.15 1pfh s SER 37 CO -0.00 -0.08 0.65 -0.46 1.20 0.00 0.00 173.24 174.55 1pfh n ASN 38 N 4.80 -4.41 0.00 5.45 0.23 -1.26 -1.20 115.26 118.87 1pfh n ASN 38 Ca -0.15 -1.18 0.00 0.00 -0.53 0.00 0.00 54.58 52.72 1pfh n ASN 38 Cb 0.50 -1.64 0.00 0.00 -2.08 0.00 0.00 39.78 36.56 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 -1.92 1.52 3.73 4.83 0.00 -1.26 -4.97 105.19 107.12 1pfh n GLY 39 Ca -0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 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 4.58 -0.16 1.61 1.02 -0.34 -5.02 119.74 121.43 1pfh s LYS 40 Ca 0.00 1.28 -0.04 0.00 0.02 0.00 0.00 55.97 57.23 1pfh s LYS 40 Cb 0.00 -3.40 -0.03 0.00 -0.52 0.00 0.00 37.83 33.88 1pfh s LYS 40 CO 0.00 0.15 -0.02 0.45 -0.92 0.00 0.00 175.35 175.01 1pfh s SER 41 N 0.30 4.89 0.24 2.83 0.15 -1.26 -1.15 113.70 119.70 1pfh s SER 41 Ca 0.45 -0.11 0.09 0.00 0.70 0.00 0.00 55.95 57.07 1pfh s SER 41 Cb -0.21 -1.81 -0.05 0.00 -1.71 0.00 0.00 66.02 62.24 1pfh s SER 41 CO 0.26 0.16 -0.14 0.00 1.20 0.00 0.00 173.24 174.72 1pfh s ALA 42 N 0.44 2.26 -0.18 5.45 0.00 -0.05 -5.02 121.76 124.66 1pfh s ALA 42 Ca -0.03 -1.76 -0.06 0.00 0.00 0.00 0.00 51.96 50.11 1pfh s ALA 42 Cb -0.14 -0.08 -0.03 0.00 0.00 0.00 0.00 23.12 22.86 1pfh s ALA 42 CO 0.02 0.10 0.03 0.45 0.00 0.00 0.00 175.76 176.36 1pfh s SER 43 N -3.39 5.24 0.41 0.00 0.15 -1.26 -0.85 113.70 114.00 1pfh s SER 43 Ca 0.26 -0.04 0.15 0.00 0.70 0.00 0.00 55.95 57.01 1pfh s SER 43 Cb -0.01 -1.89 0.88 0.00 -1.71 0.00 0.00 66.02 63.29 1pfh s SER 43 CO 0.10 0.14 1.90 0.00 1.20 0.00 0.00 173.24 176.58 1pfh h ALA 44 N 6.95 1.48 -0.35 5.45 0.00 -1.56 -2.43 119.26 128.80 1pfh h ALA 44 Ca -0.35 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.25 1pfh h ALA 44 Cb 1.18 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 1pfh h ALA 44 CO 0.66 0.36 0.06 1.17 0.00 0.00 0.00 179.25 181.49 1pfh n LYS 45 N -4.12 2.89 -3.58 0.00 4.81 -1.26 -4.17 118.16 112.73 1pfh n LYS 45 Ca -0.02 -1.70 -0.13 0.00 -0.87 0.00 0.00 58.31 55.59 1pfh n LYS 45 Cb 0.34 -1.87 -0.12 0.00 0.02 0.00 0.00 35.03 33.40 1pfh n LYS 45 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 1pfh s SER 46 N -0.39 0.44 0.11 3.14 0.01 -0.92 -4.88 113.70 111.21 1pfh s SER 46 Ca 0.30 0.44 -0.34 0.00 1.31 0.00 0.00 55.95 57.65 1pfh s SER 46 Cb 0.23 0.80 -0.14 0.00 0.21 0.00 0.00 66.02 67.12 1pfh s SER 46 CO 0.08 -0.26 1.56 0.25 0.41 0.00 0.00 173.24 175.28 1pfh h LEU 47 N 8.26 -1.56 -1.42 2.44 5.85 -1.82 -1.71 115.31 125.35 1pfh h LEU 47 Ca -0.16 0.17 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 1pfh h LEU 47 Cb 1.13 0.58 -0.01 0.00 0.37 0.00 0.00 40.66 42.72 1pfh h LEU 47 CO 0.18 -0.55 -0.09 -0.26 -0.34 0.00 0.00 178.44 177.38 1pfh h PHE 48 N -0.74 0.28 0.47 1.25 0.04 -1.98 -0.48 116.94 115.78 1pfh h PHE 48 Ca 0.00 -0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.72 1pfh h PHE 48 Cb 0.75 -0.08 0.00 0.00 2.20 0.00 0.00 35.95 38.82 1pfh h PHE 48 CO -0.45 0.37 -0.22 0.87 -0.60 0.00 0.00 178.31 178.28 1pfh h LYS 49 N 0.27 -0.60 -0.96 1.51 1.79 -1.73 -2.83 116.57 114.01 1pfh h LYS 49 Ca 0.06 0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.57 1pfh h LYS 49 Cb 0.33 0.14 -0.05 0.00 -1.58 0.00 0.00 32.23 31.07 1pfh h LYS 49 CO 0.02 -0.33 0.61 1.25 -1.08 0.00 0.00 179.45 179.92 1pfh h LEU 50 N -1.09 1.12 -0.85 2.94 5.85 -0.86 -2.81 115.31 119.61 1pfh h LEU 50 Ca -0.06 -0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.58 1pfh h LEU 50 Cb 0.55 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.26 1pfh h LEU 50 CO 0.11 0.83 0.41 1.56 -0.34 0.00 0.00 178.44 181.01 1pfh h GLN 51 N 1.31 1.23 -0.30 1.25 4.20 -1.20 -2.48 115.11 119.11 1pfh h GLN 51 Ca 0.35 -0.18 0.00 0.00 0.06 0.00 0.00 58.65 58.88 1pfh h GLN 51 Cb -0.11 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 27.44 1pfh h GLN 51 CO -0.07 0.94 0.00 -2.37 -0.67 0.00 0.00 178.83 176.66 1pfh n THR 52 N -4.31 0.40 0.15 -0.54 5.66 -1.07 -4.50 114.28 110.07 1pfh n THR 52 Ca 0.08 -0.45 -0.07 0.00 -3.05 0.00 0.00 64.05 60.57 1pfh n THR 52 Cb 0.14 0.29 -0.03 0.00 -1.55 0.00 0.00 70.33 69.18 1pfh n THR 52 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 175.07 172.27 1pfh h LEU 53 N 2.19 -0.38 0.00 1.09 5.85 -1.29 -3.50 115.31 119.26 1pfh h LEU 53 Ca 0.00 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1pfh h LEU 53 Cb 0.49 0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.62 1pfh h LEU 53 CO 0.00 0.01 0.00 0.61 -0.34 0.00 0.00 178.44 178.72 1pfh n GLY 54 N 0.55 1.73 2.70 3.75 0.00 -1.26 -5.01 105.19 107.66 1pfh n GLY 54 Ca -0.06 -0.67 -0.28 0.00 0.00 0.00 0.00 46.02 45.01 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 0.00 3.25 0.15 0.99 1.43 -1.26 -4.92 118.68 118.32 1pfh s LEU 55 Ca 0.00 -3.30 -0.08 0.00 -1.03 0.00 0.00 54.13 49.72 1pfh s LEU 55 Cb 0.00 -1.12 -0.01 0.00 0.03 0.00 0.00 46.19 45.09 1pfh s LEU 55 CO 0.00 -0.16 0.24 0.28 0.23 0.00 0.00 176.35 176.95 1pfh s THR 56 N -0.53 0.08 -0.14 5.49 -1.32 -1.26 -1.00 115.64 116.97 1pfh s THR 56 Ca 0.25 -1.43 -0.41 0.00 -1.21 0.00 0.00 61.69 58.89 1pfh s THR 56 Cb -0.07 -1.81 -0.19 0.00 -1.51 0.00 0.00 72.50 68.91 1pfh s THR 56 CO -0.13 -0.36 1.29 1.67 -2.21 0.00 0.00 174.62 174.88 1pfh n GLN 57 N -0.18 0.23 0.00 7.08 7.27 -0.98 -3.51 117.38 127.28 1pfh n GLN 57 Ca -0.08 0.08 0.00 0.00 0.07 0.00 0.00 57.00 57.07 1pfh n GLN 57 Cb 0.63 -1.61 0.00 0.00 2.41 0.00 0.00 30.24 31.67 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 2.49 0.96 3.67 1.69 0.00 0.09 -4.98 105.19 109.11 1pfh n GLY 58 Ca 0.23 -0.18 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.97 4.19 -0.84 2.61 -4.23 -1.22 -4.83 115.64 110.36 1pfh s THR 59 Ca 0.00 1.46 -0.21 0.00 -1.18 0.00 0.00 61.69 61.76 1pfh s THR 59 Cb 0.00 -3.94 0.09 0.00 1.34 0.00 0.00 72.50 69.99 1pfh s THR 59 CO 0.00 -0.10 1.13 -0.69 -0.54 0.00 0.00 174.62 174.42 1pfh s VAL 60 N 3.23 4.41 -0.17 2.29 1.01 -1.26 -0.64 120.40 129.27 1pfh s VAL 60 Ca 0.57 -0.92 -0.20 0.00 0.00 0.00 0.00 61.98 61.43 1pfh s VAL 60 Cb -0.24 -4.80 -0.03 0.00 0.00 0.00 0.00 36.38 31.31 1pfh s VAL 60 CO 0.18 -1.58 0.59 0.68 0.00 0.00 0.00 175.10 174.97 1pfh s VAL 61 N 3.69 5.07 -0.92 2.92 -7.23 0.41 -4.74 120.40 119.61 1pfh s VAL 61 Ca 0.31 1.13 -0.24 0.00 -1.81 0.00 0.00 61.98 61.37 1pfh s VAL 61 Cb -0.08 -3.91 0.04 0.00 0.56 0.00 0.00 36.38 32.99 1pfh s VAL 61 CO -0.01 0.18 1.39 -0.89 -0.31 0.00 0.00 175.10 175.46 1pfh s THR 62 N 1.46 3.86 -0.37 5.32 2.01 -0.93 -1.65 115.64 125.34 1pfh s THR 62 Ca 0.28 -0.36 -0.15 0.00 0.31 0.00 0.00 61.69 61.78 1pfh s THR 62 Cb -0.16 -5.01 -0.00 0.00 0.01 0.00 0.00 72.50 67.34 1pfh s THR 62 CO 0.11 -1.91 0.32 -0.63 -0.69 0.00 0.00 174.62 171.82 1pfh s ILE 63 N 5.23 5.22 -0.09 1.82 1.01 0.60 -1.27 121.20 133.71 1pfh s ILE 63 Ca 0.42 -0.27 0.01 0.00 0.00 0.00 0.00 60.65 60.81 1pfh s ILE 63 Cb -0.03 -3.84 0.02 0.00 0.01 0.00 0.00 42.46 38.62 1pfh s ILE 63 CO -0.01 -0.16 -0.09 -0.44 0.00 0.00 0.00 174.94 174.23 1pfh s SER 64 N 1.73 1.94 -0.00 3.58 0.01 -0.28 -0.71 113.70 119.97 1pfh s SER 64 Ca 0.08 -0.29 0.05 0.00 1.31 0.00 0.00 55.95 57.10 1pfh s SER 64 Cb -0.17 -0.80 -0.01 0.00 0.21 0.00 0.00 66.02 65.24 1pfh s SER 64 CO 0.11 -0.06 -0.15 0.00 0.41 0.00 0.00 173.24 173.55 1pfh s ALA 65 N 1.28 1.24 -0.17 1.44 0.00 -0.64 -1.65 121.76 123.26 1pfh s ALA 65 Ca -0.03 -0.67 -0.05 0.00 0.00 0.00 0.00 51.96 51.21 1pfh s ALA 65 Cb -0.14 -0.30 0.06 0.00 0.00 0.00 0.00 23.12 22.75 1pfh s ALA 65 CO -0.03 0.30 0.11 -2.00 0.00 0.00 0.00 175.76 174.13 1pfh s GLU 66 N -0.47 0.08 0.00 0.00 2.12 -1.26 -0.46 118.70 118.71 1pfh s GLU 66 Ca 0.05 -0.04 0.00 0.00 0.36 0.00 0.00 54.97 55.35 1pfh s GLU 66 Cb -0.06 -1.73 0.00 0.00 0.26 0.00 0.00 34.13 32.60 1pfh s GLU 66 CO -0.00 -0.66 0.00 0.41 -0.54 0.00 0.00 175.26 174.46 1pfh n GLY 67 N 5.29 -0.64 0.22 -1.50 0.00 -1.26 -4.71 105.19 102.59 1pfh n GLY 67 Ca -0.07 -0.49 -0.10 0.00 0.00 0.00 0.00 46.02 45.36 1pfh n GLY 67 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1pfh h GLU 68 N 0.00 0.72 -0.96 1.61 4.81 -1.99 -3.22 114.58 115.55 1pfh h GLU 68 Ca 0.00 -0.21 -0.11 0.00 -0.13 0.00 0.00 59.36 58.91 1pfh h GLU 68 Cb 0.00 -0.08 -0.07 0.00 0.63 0.00 0.00 28.75 29.23 1pfh h GLU 68 CO 0.00 0.77 0.14 -0.40 -0.73 0.00 0.00 179.01 178.79 1pfh n ASP 69 N -4.46 3.01 0.01 1.04 5.68 -1.26 -4.59 116.55 115.97 1pfh n ASP 69 Ca -0.00 -2.44 -0.10 0.00 -0.50 0.00 0.00 54.79 51.75 1pfh n ASP 69 Cb 0.26 -0.59 -0.03 0.00 -1.14 0.00 0.00 41.12 39.61 1pfh n ASP 69 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1pfh h GLU 70 N 0.60 -0.25 0.09 0.11 4.11 -1.82 0.16 114.58 117.59 1pfh h GLU 70 Ca 0.14 0.02 -0.18 0.00 0.07 0.00 0.00 59.36 59.40 1pfh h GLU 70 Cb 1.40 0.06 0.02 0.00 0.50 0.00 0.00 28.75 30.72 1pfh h GLU 70 CO 0.29 -0.16 -0.77 -0.56 0.07 0.00 0.00 179.01 177.87 1pfh h GLN 71 N -0.25 0.36 -0.31 1.06 -0.00 -1.86 -3.01 115.11 111.10 1pfh h GLN 71 Ca 0.09 -0.51 -0.11 0.00 -0.00 0.00 0.00 58.65 58.12 1pfh h GLN 71 Cb 0.39 0.18 -0.01 0.00 -0.00 0.00 0.00 27.48 28.03 1pfh h GLN 71 CO -0.26 1.21 -0.25 0.87 -0.00 0.00 0.00 178.83 180.40 1pfh h LYS 72 N -0.24 0.60 -0.07 0.06 1.57 -1.78 0.12 116.57 116.84 1pfh h LYS 72 Ca -0.12 -0.24 -0.05 0.00 -1.87 0.00 0.00 60.65 58.37 1pfh h LYS 72 Cb 1.55 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.83 1pfh h LYS 72 CO 0.15 0.80 -0.16 0.00 -0.57 0.00 0.00 179.45 179.67 1pfh h ALA 73 N 1.20 0.11 -0.17 3.86 0.00 -0.80 -2.45 119.26 121.01 1pfh h ALA 73 Ca 0.07 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 1pfh h ALA 73 Cb 0.71 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1pfh h ALA 73 CO 0.05 0.02 0.09 0.28 0.00 0.00 0.00 179.25 179.70 1pfh h VAL 74 N -0.27 1.10 -0.72 0.00 2.07 -1.35 0.14 116.25 117.23 1pfh h VAL 74 Ca -0.00 -0.28 0.15 0.00 0.82 0.00 0.00 66.70 67.40 1pfh h VAL 74 Cb 0.75 0.97 -0.13 0.00 -1.52 0.00 0.00 31.29 31.36 1pfh h VAL 74 CO 0.03 0.10 -0.10 -0.08 0.02 0.00 0.00 177.57 177.54 1pfh h GLU 75 N 0.18 0.04 0.45 1.57 4.81 -0.84 -1.33 114.58 119.47 1pfh h GLU 75 Ca 0.06 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.27 1pfh h GLU 75 Cb 0.07 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.45 1pfh h GLU 75 CO -0.01 0.03 -0.22 1.25 -0.73 0.00 0.00 179.01 179.33 1pfh h HIS 76 N 0.04 -0.56 -0.87 0.92 2.76 -1.08 -2.98 115.15 113.37 1pfh h HIS 76 Ca 0.37 -0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.54 1pfh h HIS 76 Cb 0.61 0.19 -0.04 0.00 1.55 0.00 0.00 27.41 29.71 1pfh h HIS 76 CO -0.50 -0.35 0.58 -0.07 -1.30 0.00 0.00 177.93 176.28 1pfh h LEU 77 N -0.92 0.99 -0.16 0.26 3.38 -0.71 0.86 115.31 119.01 1pfh h LEU 77 Ca -0.06 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 1pfh h LEU 77 Cb 0.47 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1pfh h LEU 77 CO 0.10 0.71 0.09 0.58 0.09 0.00 0.00 178.44 180.01 1pfh h VAL 78 N 1.17 1.09 -0.15 1.22 2.07 -1.39 -0.71 116.25 119.54 1pfh h VAL 78 Ca 0.33 -0.25 0.01 0.00 0.82 0.00 0.00 66.70 67.61 1pfh h VAL 78 Cb -0.11 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 1pfh h VAL 78 CO -0.08 0.09 0.06 0.11 0.02 0.00 0.00 177.57 177.77 1pfh h LYS 79 N 0.17 0.14 -0.50 1.57 1.57 -1.23 -1.18 116.57 117.10 1pfh h LYS 79 Ca 0.06 -0.01 0.09 0.00 -1.87 0.00 0.00 60.65 58.92 1pfh h LYS 79 Cb 0.06 -0.03 -0.08 0.00 0.08 0.00 0.00 32.23 32.26 1pfh h LYS 79 CO -0.01 0.09 0.05 1.25 -0.57 0.00 0.00 179.45 180.27 1pfh h LEU 80 N 0.15 -0.11 0.21 2.94 5.85 -0.71 -0.34 115.31 123.29 1pfh h LEU 80 Ca 0.06 0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 1pfh h LEU 80 Cb 0.02 0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.22 1pfh h LEU 80 CO -0.06 -0.03 -0.10 -0.03 -0.34 0.00 0.00 178.44 177.89 1pfh h MET 81 N 0.17 -0.27 -0.81 1.25 4.05 -0.99 -1.78 114.93 116.56 1pfh h MET 81 Ca 0.25 0.02 0.13 0.00 -0.28 0.00 0.00 59.70 59.83 1pfh h MET 81 Cb 0.37 0.06 -0.06 0.00 -0.80 0.00 0.00 31.60 31.17 1pfh h MET 81 CO -0.37 -0.09 0.53 0.00 0.23 0.00 0.00 176.91 177.21 1pfh h ALA 82 N 0.39 1.93 0.00 0.39 0.00 -0.36 -2.77 119.26 118.83 1pfh h ALA 82 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1pfh h ALA 82 Cb 0.30 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1pfh h ALA 82 CO 0.05 -0.13 -0.58 0.39 0.00 0.00 0.00 179.25 178.97 1pfh n GLU 83 N -4.52 0.22 -1.59 0.00 1.02 -0.22 -4.92 120.64 110.63 1pfh n GLU 83 Ca 0.15 0.06 -0.35 0.00 -0.02 0.00 0.00 57.16 57.01 1pfh n GLU 83 Cb 0.46 -1.64 0.08 0.00 -0.02 0.00 0.00 31.44 30.32 1pfh n GLU 83 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1pfh s LEU 84 N -3.92 3.41 0.00 -4.62 1.43 -0.69 -5.08 118.68 109.21 1pfh s LEU 84 Ca 0.07 2.36 0.27 0.00 -1.03 0.00 0.00 54.13 55.80 1pfh s LEU 84 Cb 0.14 -4.59 0.87 0.00 0.03 0.00 0.00 46.19 42.64 1pfh s LEU 84 CO 0.71 -2.06 1.64 -0.62 0.23 0.00 0.00 176.35 176.25