#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 2.94 0.04 1.12 5.36 0.52 -5.00 117.98 122.96 1pfh s PHE 2 Ca 0.00 -0.11 0.09 0.00 -0.96 0.00 0.00 56.93 55.95 1pfh s PHE 2 Cb 0.00 -1.78 -0.03 0.00 -0.34 0.00 0.00 43.02 40.88 1pfh s PHE 2 CO 0.00 0.20 -0.26 -0.65 -1.46 0.00 0.00 175.22 173.05 1pfh s GLN 3 N -0.45 1.84 -0.27 10.12 -0.21 -1.26 -1.36 119.66 128.08 1pfh s GLN 3 Ca 0.07 -1.09 -0.03 0.00 0.02 0.00 0.00 55.36 54.33 1pfh s GLN 3 Cb -0.12 -1.99 0.10 0.00 1.00 0.00 0.00 33.01 32.01 1pfh s GLN 3 CO 0.02 0.52 0.17 -1.14 -2.12 0.00 0.00 175.29 172.74 1pfh s GLN 4 N -1.15 0.20 -0.67 2.91 0.74 -0.91 -5.01 119.66 115.78 1pfh s GLN 4 Ca 0.11 -0.33 -0.26 0.00 0.05 0.00 0.00 55.36 54.93 1pfh s GLN 4 Cb -0.10 -1.14 0.04 0.00 1.10 0.00 0.00 33.01 32.91 1pfh s GLN 4 CO 0.02 -0.95 1.18 -2.00 -0.55 0.00 0.00 175.29 172.98 1pfh s GLU 5 N 2.18 3.27 0.20 1.67 2.12 -1.26 -1.42 118.70 125.46 1pfh s GLU 5 Ca 0.08 -0.21 0.09 0.00 0.36 0.00 0.00 54.97 55.29 1pfh s GLU 5 Cb -0.16 -4.13 -0.05 0.00 0.26 0.00 0.00 34.13 30.06 1pfh s GLU 5 CO -0.31 -1.92 -0.17 0.14 -0.54 0.00 0.00 175.26 172.47 1pfh s VAL 6 N 5.11 1.88 -0.09 3.70 -7.23 -0.80 -5.00 120.40 117.96 1pfh s VAL 6 Ca 0.35 -2.13 -0.01 0.00 -1.81 0.00 0.00 61.98 58.38 1pfh s VAL 6 Cb -0.10 -2.01 -0.03 0.00 0.56 0.00 0.00 36.38 34.81 1pfh s VAL 6 CO 0.17 -0.46 -0.05 0.42 -0.31 0.00 0.00 175.10 174.87 1pfh s THR 7 N -2.56 3.82 -0.82 5.32 -4.23 -1.26 0.17 115.64 116.09 1pfh s THR 7 Ca 0.21 -0.42 -0.19 0.00 -1.18 0.00 0.00 61.69 60.11 1pfh s THR 7 Cb -0.03 -2.60 0.13 0.00 1.34 0.00 0.00 72.50 71.34 1pfh s THR 7 CO 0.08 0.57 0.99 -0.63 -0.54 0.00 0.00 174.62 175.09 1pfh s ILE 8 N -0.53 4.80 -0.51 2.99 1.01 0.25 -4.86 121.20 124.35 1pfh s ILE 8 Ca 0.08 -1.41 0.24 0.00 0.00 0.00 0.00 60.65 59.55 1pfh s ILE 8 Cb -0.12 -4.68 0.11 0.00 0.01 0.00 0.00 42.46 37.79 1pfh s ILE 8 CO 0.02 -1.38 1.35 0.71 0.00 0.00 0.00 174.94 175.65 1pfh h THR 9 N 5.73 0.00 -3.01 2.92 1.35 -1.86 0.14 112.91 118.18 1pfh h THR 9 Ca 0.01 -0.71 -0.54 0.00 -0.55 0.00 0.00 66.41 64.62 1pfh h THR 9 Cb 1.04 1.38 0.08 0.00 -1.73 0.00 0.00 68.15 68.93 1pfh h THR 9 CO 1.07 0.00 0.85 0.00 -0.25 0.00 0.00 175.52 177.19 1pfh n ALA 10 N -1.96 2.25 -0.26 6.62 0.00 -1.26 -4.60 120.51 121.31 1pfh n ALA 10 Ca 0.03 0.39 -0.00 0.00 0.00 0.00 0.00 53.44 53.85 1pfh n ALA 10 Cb 0.48 -2.43 0.06 0.00 0.00 0.00 0.00 19.45 17.57 1pfh n ALA 10 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1pfh h PRO 11 N 5.05 -0.04 0.00 0.00 0.11 -1.93 -2.91 132.00 132.27 1pfh h PRO 11 Ca -0.46 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.46 1pfh h PRO 11 Cb 1.23 0.01 -0.04 0.00 0.11 0.00 0.00 31.00 32.32 1pfh h PRO 11 CO 0.82 -0.03 -1.90 0.27 -0.21 0.00 0.00 178.00 176.95 1pfh n ASN 12 N -5.48 1.53 0.00 -2.05 0.23 -1.26 -3.75 115.26 104.48 1pfh n ASN 12 Ca 0.09 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.14 1pfh n ASN 12 Cb 0.38 1.05 0.00 0.00 -2.08 0.00 0.00 39.78 39.13 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 2.02 1.63 0.00 4.83 0.00 -1.11 -4.13 105.19 108.43 1pfh n GLY 13 Ca -0.18 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.26 0.99 4.77 -0.01 -4.93 117.00 117.56 1pfh n LEU 14 Ca 0.00 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1pfh n LEU 14 Cb 0.00 0.00 0.12 0.00 -2.33 0.00 0.00 43.42 41.21 1pfh n LEU 14 CO 0.00 0.00 1.12 0.71 -1.33 0.00 0.00 177.39 177.89 1pfh h THR 16 N 0.00 0.97 0.17 -5.08 1.35 -1.93 0.67 112.91 109.07 1pfh h THR 16 Ca 0.00 -0.26 -0.01 0.00 -0.55 0.00 0.00 66.41 65.59 1pfh h THR 16 Cb 0.00 0.13 0.00 0.00 -1.73 0.00 0.00 68.15 66.56 1pfh h THR 16 CO 0.00 0.14 -0.08 0.03 -0.25 0.00 0.00 175.52 175.36 1pfh h ARG 17 N 0.77 -0.22 -0.49 4.72 2.47 -2.00 -3.30 114.38 116.33 1pfh h ARG 17 Ca 0.33 0.02 0.02 0.00 -1.26 0.00 0.00 59.98 59.09 1pfh h ARG 17 Cb 0.21 0.05 -0.03 0.00 -1.65 0.00 0.00 29.97 28.56 1pfh h ARG 17 CO -0.19 0.11 0.33 -1.35 0.56 0.00 0.00 179.97 179.43 1pfh h PRO 18 N -0.97 0.59 -0.68 0.04 0.11 -1.91 -2.26 132.00 126.92 1pfh h PRO 18 Ca -0.02 -0.04 0.20 0.00 0.11 0.00 0.00 66.00 66.25 1pfh h PRO 18 Cb 0.44 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 31.39 1pfh h PRO 18 CO 0.04 0.39 0.71 0.00 -0.21 0.00 0.00 178.00 178.93 1pfh h ALA 19 N 1.71 2.47 -0.64 -0.75 0.00 -0.94 -1.64 119.26 119.46 1pfh h ALA 19 Ca 0.19 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1pfh h ALA 19 Cb 0.01 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1pfh h ALA 19 CO -0.05 -1.06 0.39 0.00 0.00 0.00 0.00 179.25 178.53 1pfh h ALA 20 N 1.21 0.82 -0.56 0.00 0.00 -1.48 -1.37 119.26 117.89 1pfh h ALA 20 Ca 0.32 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 55.06 1pfh h ALA 20 Cb 1.75 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 19.26 1pfh h ALA 20 CO -0.00 0.30 -0.01 1.96 0.00 0.00 0.00 179.25 181.49 1pfh h GLN 21 N 0.87 0.97 -0.82 0.00 7.50 -1.50 0.27 115.11 122.40 1pfh h GLN 21 Ca 0.23 -0.30 0.04 0.00 0.50 0.00 0.00 58.65 59.12 1pfh h GLN 21 Cb -0.03 -0.09 -0.05 0.00 0.05 0.00 0.00 27.48 27.36 1pfh h GLN 21 CO -0.04 0.96 0.52 0.35 -1.50 0.00 0.00 178.83 179.12 1pfh h PHE 22 N 0.89 0.98 0.12 2.96 3.57 -1.47 -0.14 116.94 123.83 1pfh h PHE 22 Ca 0.16 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 1pfh h PHE 22 Cb 0.54 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 38.96 1pfh h PHE 22 CO 0.03 0.55 -0.06 0.28 -2.23 0.00 0.00 178.31 176.89 1pfh h VAL 23 N 1.01 1.02 -0.85 1.41 2.07 -1.00 -2.26 116.25 117.65 1pfh h VAL 23 Ca 0.33 -0.53 0.18 0.00 0.82 0.00 0.00 66.70 67.51 1pfh h VAL 23 Cb 0.04 1.35 -0.11 0.00 -1.52 0.00 0.00 31.29 31.05 1pfh h VAL 23 CO -0.12 0.13 0.38 0.50 0.02 0.00 0.00 177.57 178.47 1pfh h LYS 24 N -0.40 0.45 0.11 1.57 3.11 -0.43 0.17 116.57 121.15 1pfh h LYS 24 Ca -0.02 -0.03 -0.01 0.00 -2.81 0.00 0.00 60.65 57.79 1pfh h LYS 24 Cb 0.33 -0.10 0.00 0.00 -1.00 0.00 0.00 32.23 31.46 1pfh h LYS 24 CO 0.03 0.30 -0.05 1.49 -2.81 0.00 0.00 179.45 178.40 1pfh h GLU 25 N 0.46 -0.14 -0.17 1.90 4.57 -1.04 -3.32 114.58 116.85 1pfh h GLU 25 Ca 0.50 0.01 -0.04 0.00 -1.18 0.00 0.00 59.36 58.65 1pfh h GLU 25 Cb 0.84 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.45 1pfh h GLU 25 CO -0.46 0.22 -0.07 0.00 -1.18 0.00 0.00 179.01 177.52 1pfh h ALA 26 N 0.31 1.56 -1.03 2.92 0.00 -0.82 -1.23 119.26 120.96 1pfh h ALA 26 Ca -0.01 -0.17 0.33 0.00 0.00 0.00 0.00 54.91 55.06 1pfh h ALA 26 Cb 0.42 -0.09 -0.14 0.00 0.00 0.00 0.00 17.79 17.98 1pfh h ALA 26 CO 0.02 0.32 0.60 0.87 0.00 0.00 0.00 179.25 181.06 1pfh h LYS 27 N 0.25 0.29 -0.11 0.00 1.79 -0.77 -2.26 116.57 115.77 1pfh h LYS 27 Ca 0.06 -0.02 -0.10 0.00 -2.18 0.00 0.00 60.65 58.41 1pfh h LYS 27 Cb 0.30 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 30.87 1pfh h LYS 27 CO 0.01 0.19 -0.38 0.78 -1.08 0.00 0.00 179.45 178.98 1pfh h GLY 28 N 0.30 0.24 -4.24 3.86 0.00 -1.36 -3.45 103.07 98.41 1pfh h GLY 28 Ca 0.74 -0.22 -0.52 0.00 0.00 0.00 0.00 47.33 47.33 1pfh h GLY 28 CO -0.57 0.20 0.51 -1.36 0.00 0.00 0.00 176.54 175.32 1pfh s PHE 29 N -4.21 3.52 0.07 5.60 0.08 -0.85 -4.97 117.98 117.22 1pfh s PHE 29 Ca -0.04 1.47 -0.20 0.00 0.12 0.00 0.00 56.93 58.28 1pfh s PHE 29 Cb 0.14 -3.34 -0.10 0.00 -0.57 0.00 0.00 43.02 39.14 1pfh s PHE 29 CO 0.76 -0.90 1.52 1.79 -0.10 0.00 0.00 175.22 178.29 1pfh h THR 30 N 4.04 1.25 -3.66 0.64 1.35 -1.88 -3.43 112.91 111.21 1pfh h THR 30 Ca -0.43 -0.83 -0.52 0.00 -0.55 0.00 0.00 66.41 64.08 1pfh h THR 30 Cb 1.21 1.40 0.06 0.00 -1.73 0.00 0.00 68.15 69.10 1pfh h THR 30 CO 0.76 0.25 0.68 -0.94 -0.25 0.00 0.00 175.52 176.02 1pfh s SER 31 N -5.83 6.74 -0.66 5.36 1.04 -1.26 -4.95 113.70 114.14 1pfh s SER 31 Ca -0.14 2.66 -0.25 0.00 0.48 0.00 0.00 55.95 58.70 1pfh s SER 31 Cb 0.07 -2.64 0.05 0.00 0.10 0.00 0.00 66.02 63.60 1pfh s SER 31 CO 0.73 -0.60 1.10 -0.70 0.98 0.00 0.00 173.24 174.75 1pfh s GLU 32 N -1.15 3.22 -0.60 4.02 2.12 -1.26 -4.92 118.70 120.11 1pfh s GLU 32 Ca 0.53 -0.41 -0.27 0.00 0.36 0.00 0.00 54.97 55.19 1pfh s GLU 32 Cb -0.40 -4.16 -0.02 0.00 0.26 0.00 0.00 34.13 29.81 1pfh s GLU 32 CO 0.48 -1.87 1.84 0.42 -0.54 0.00 0.00 175.26 175.59 1pfh s ILE 33 N 4.77 3.37 -0.53 -3.70 -1.09 -1.26 -4.48 121.20 118.28 1pfh s ILE 33 Ca 0.30 0.22 -0.19 0.00 -2.23 0.00 0.00 60.65 58.76 1pfh s ILE 33 Cb -0.12 -3.96 0.07 0.00 -1.58 0.00 0.00 42.46 36.87 1pfh s ILE 33 CO 0.15 -0.92 0.65 0.42 -1.23 0.00 0.00 174.94 174.02 1pfh s THR 34 N 8.90 4.85 -0.81 2.92 -4.23 -0.07 -0.68 115.64 126.51 1pfh s THR 34 Ca 0.67 -0.62 -0.24 0.00 -1.18 0.00 0.00 61.69 60.32 1pfh s THR 34 Cb -0.13 -4.36 0.06 0.00 1.34 0.00 0.00 72.50 69.41 1pfh s THR 34 CO 0.21 -0.90 1.21 -0.69 -0.54 0.00 0.00 174.62 173.90 1pfh s VAL 35 N 2.68 4.08 -0.56 2.29 1.01 -0.05 -2.13 120.40 127.71 1pfh s VAL 35 Ca 0.14 -0.35 -0.22 0.00 0.00 0.00 0.00 61.98 61.54 1pfh s VAL 35 Cb -0.20 -4.87 0.05 0.00 0.00 0.00 0.00 36.38 31.36 1pfh s VAL 35 CO 0.10 -1.72 0.86 -0.89 0.00 0.00 0.00 175.10 173.46 1pfh s THR 36 N 4.67 4.51 -0.48 3.92 2.01 -0.05 -1.35 115.64 128.87 1pfh s THR 36 Ca 0.34 -0.06 -0.08 0.00 0.31 0.00 0.00 61.69 62.20 1pfh s THR 36 Cb -0.08 -4.50 0.12 0.00 0.01 0.00 0.00 72.50 68.05 1pfh s THR 36 CO 0.04 -1.10 0.33 -0.55 -0.69 0.00 0.00 174.62 172.66 1pfh s SER 37 N 2.97 5.61 -0.62 3.53 0.15 -0.05 -1.72 113.70 123.58 1pfh s SER 37 Ca 0.25 -2.01 -0.15 0.00 0.70 0.00 0.00 55.95 54.73 1pfh s SER 37 Cb -0.15 -1.97 0.02 0.00 -1.71 0.00 0.00 66.02 62.21 1pfh s SER 37 CO 0.15 -0.64 0.64 -0.46 1.20 0.00 0.00 173.24 174.13 1pfh n ASN 38 N 4.74 -6.17 0.00 5.45 0.23 -1.26 -1.97 115.26 116.28 1pfh n ASN 38 Ca -0.05 -0.27 0.00 0.00 -0.53 0.00 0.00 54.58 53.73 1pfh n ASN 38 Cb 0.41 -3.02 0.00 0.00 -2.08 0.00 0.00 39.78 35.09 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 -0.96 0.78 3.58 4.83 0.00 -1.26 -4.91 105.19 107.25 1pfh n GLY 39 Ca -0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 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 3.44 -0.38 1.61 1.02 -0.83 -4.96 119.74 119.64 1pfh s LYS 40 Ca 0.00 0.54 -0.07 0.00 0.02 0.00 0.00 55.97 56.46 1pfh s LYS 40 Cb 0.00 -4.06 0.07 0.00 -0.52 0.00 0.00 37.83 33.32 1pfh s LYS 40 CO 0.00 -1.75 0.18 0.45 -0.92 0.00 0.00 175.35 173.31 1pfh s SER 41 N 3.86 5.44 -0.21 2.83 0.15 -1.26 -0.87 113.70 123.65 1pfh s SER 41 Ca 0.52 -1.42 -0.04 0.00 0.70 0.00 0.00 55.95 55.71 1pfh s SER 41 Cb -0.10 -1.91 -0.02 0.00 -1.71 0.00 0.00 66.02 62.28 1pfh s SER 41 CO 0.28 -0.45 -0.03 0.00 1.20 0.00 0.00 173.24 174.24 1pfh s ALA 42 N 1.37 2.90 -0.05 5.45 0.00 -0.46 -4.91 121.76 126.07 1pfh s ALA 42 Ca 0.02 -1.07 -0.30 0.00 0.00 0.00 0.00 51.96 50.61 1pfh s ALA 42 Cb -0.22 -1.71 -0.06 0.00 0.00 0.00 0.00 23.12 21.13 1pfh s ALA 42 CO 0.01 -0.27 1.77 0.45 0.00 0.00 0.00 175.76 177.73 1pfh s SER 43 N 1.21 6.52 0.08 0.00 0.15 -1.26 -0.87 113.70 119.52 1pfh s SER 43 Ca 0.03 2.29 0.13 0.00 0.70 0.00 0.00 55.95 59.10 1pfh s SER 43 Cb -0.14 -2.53 0.59 0.00 -1.71 0.00 0.00 66.02 62.23 1pfh s SER 43 CO -0.00 -1.04 1.42 0.00 1.20 0.00 0.00 173.24 174.81 1pfh n ALA 44 N 7.60 1.45 0.25 5.45 0.00 0.14 -1.26 120.51 134.14 1pfh n ALA 44 Ca 0.19 0.01 0.14 0.00 0.00 0.00 0.00 53.44 53.78 1pfh n ALA 44 Cb 0.43 -1.22 0.50 0.00 0.00 0.00 0.00 19.45 19.17 1pfh n ALA 44 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1pfh h LYS 45 N 0.00 0.00 -4.46 0.00 1.57 -1.83 -3.37 116.57 108.47 1pfh h LYS 45 Ca 0.00 0.00 -0.70 0.00 -1.87 0.00 0.00 60.65 58.08 1pfh h LYS 45 Cb 0.19 0.00 -0.34 0.00 0.08 0.00 0.00 32.23 32.16 1pfh h LYS 45 CO 0.00 0.07 -0.53 0.45 -0.57 0.00 0.00 179.45 178.87 1pfh s SER 46 N -5.94 5.30 0.19 0.86 0.15 -0.38 -4.84 113.70 109.03 1pfh s SER 46 Ca 0.02 -2.02 -0.16 0.00 0.70 0.00 0.00 55.95 54.49 1pfh s SER 46 Cb 0.08 -1.85 0.17 0.00 -1.71 0.00 0.00 66.02 62.72 1pfh s SER 46 CO 0.60 -0.56 1.30 -0.11 1.20 0.00 0.00 173.24 175.67 1pfh n LEU 47 N 4.62 -0.59 -0.09 3.45 7.94 -1.26 -2.48 117.00 128.59 1pfh n LEU 47 Ca -0.03 1.47 -0.10 0.00 -1.11 0.00 0.00 56.01 56.24 1pfh n LEU 47 Cb 0.41 -0.32 -0.03 0.00 0.53 0.00 0.00 43.42 44.02 1pfh n LEU 47 CO 0.34 -1.30 0.87 -0.26 -1.11 0.00 0.00 177.39 175.93 1pfh h PHE 48 N 0.00 0.44 -0.46 1.96 0.04 -1.94 -1.73 116.94 115.25 1pfh h PHE 48 Ca 0.27 -0.04 -0.02 0.00 2.80 0.00 0.00 57.97 60.98 1pfh h PHE 48 Cb 0.48 -0.13 -0.02 0.00 2.20 0.00 0.00 35.95 38.48 1pfh h PHE 48 CO -0.75 0.45 0.19 -0.22 -0.60 0.00 0.00 178.31 177.38 1pfh h LYS 49 N 0.31 0.68 -0.35 1.51 3.64 -1.80 -2.42 116.57 118.13 1pfh h LYS 49 Ca 0.09 -0.12 -0.06 0.00 -1.27 0.00 0.00 60.65 59.29 1pfh h LYS 49 Cb 0.20 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 1pfh h LYS 49 CO -0.01 0.61 -0.03 1.25 -2.27 0.00 0.00 179.45 179.00 1pfh h LEU 50 N 0.59 0.63 -2.32 5.20 5.85 -1.30 -2.96 115.31 121.00 1pfh h LEU 50 Ca 0.15 -0.33 -0.00 0.00 0.84 0.00 0.00 57.88 58.54 1pfh h LEU 50 Cb 0.18 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 41.03 1pfh h LEU 50 CO -0.01 0.81 -0.02 1.56 -0.34 0.00 0.00 178.44 180.44 1pfh h GLN 51 N 0.44 0.00 -2.29 1.25 4.20 -1.14 -2.94 115.11 114.64 1pfh h GLN 51 Ca 0.10 0.00 -0.72 0.00 0.06 0.00 0.00 58.65 58.09 1pfh h GLN 51 Cb 0.50 0.00 -0.33 0.00 0.30 0.00 0.00 27.48 27.95 1pfh h GLN 51 CO 0.02 0.02 0.33 -2.37 -0.67 0.00 0.00 178.83 176.16 1pfh n THR 52 N -3.95 4.81 0.00 -0.54 5.66 -0.93 -4.47 114.28 114.86 1pfh n THR 52 Ca -0.03 -5.81 0.00 0.00 -3.05 0.00 0.00 64.05 55.16 1pfh n THR 52 Cb 0.10 -1.52 0.00 0.00 -1.55 0.00 0.00 70.33 67.36 1pfh n THR 52 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 1pfh n LEU 53 N -0.06 0.36 0.00 1.09 7.94 -1.11 -4.93 117.00 120.30 1pfh n LEU 53 Ca 0.40 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.30 1pfh n LEU 53 Cb 0.32 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.27 1pfh n LEU 53 CO 0.45 -0.04 0.00 0.61 -1.11 0.00 0.00 177.39 177.30 1pfh n GLY 54 N 2.69 0.83 3.47 -3.96 0.00 -1.26 -5.03 105.19 101.92 1pfh n GLY 54 Ca 0.00 -0.76 -0.44 0.00 0.00 0.00 0.00 46.02 44.82 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 4.82 0.00 0.99 1.43 -1.26 -4.91 118.68 119.75 1pfh s LEU 55 Ca 0.00 -2.27 0.03 0.00 -1.03 0.00 0.00 54.13 50.86 1pfh s LEU 55 Cb 0.00 -2.43 -0.01 0.00 0.03 0.00 0.00 46.19 43.78 1pfh s LEU 55 CO 0.00 -1.03 0.11 1.07 0.23 0.00 0.00 176.35 176.73 1pfh n THR 56 N 5.45 0.00 -1.61 5.49 5.66 -1.26 -0.83 114.28 127.18 1pfh n THR 56 Ca 0.30 -1.31 -0.44 0.00 -3.05 0.00 0.00 64.05 59.55 1pfh n THR 56 Cb 0.47 0.53 -0.03 0.00 -1.55 0.00 0.00 70.33 69.75 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 -0.45 2.13 0.00 1.09 7.27 -1.14 -1.88 117.38 124.40 1pfh n GLN 57 Ca -0.01 0.65 0.00 0.00 0.07 0.00 0.00 57.00 57.72 1pfh n GLN 57 Cb 0.33 -3.10 0.00 0.00 2.41 0.00 0.00 30.24 29.88 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 5.47 0.22 3.57 1.69 0.00 0.45 -4.99 105.19 111.60 1pfh n GLY 58 Ca 0.28 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.00 3.69 -0.16 2.61 -4.23 -0.79 -4.79 115.64 109.98 1pfh s THR 59 Ca 0.00 0.53 -0.29 0.00 -1.18 0.00 0.00 61.69 60.75 1pfh s THR 59 Cb 0.00 -4.42 -0.05 0.00 1.34 0.00 0.00 72.50 69.37 1pfh s THR 59 CO 0.00 -1.24 1.83 -0.69 -0.54 0.00 0.00 174.62 173.98 1pfh s VAL 60 N 6.55 3.39 -0.30 2.29 1.01 -1.26 -0.58 120.40 131.50 1pfh s VAL 60 Ca 0.52 0.44 0.02 0.00 0.00 0.00 0.00 61.98 62.97 1pfh s VAL 60 Cb -0.11 -3.39 0.07 0.00 0.00 0.00 0.00 36.38 32.96 1pfh s VAL 60 CO 0.22 -0.16 -0.03 0.68 0.00 0.00 0.00 175.10 175.82 1pfh s VAL 61 N 5.67 2.37 -0.84 2.92 -7.23 0.13 -4.35 120.40 119.07 1pfh s VAL 61 Ca 0.82 -1.87 -0.23 0.00 -1.81 0.00 0.00 61.98 58.89 1pfh s VAL 61 Cb -0.31 -2.53 0.06 0.00 0.56 0.00 0.00 36.38 34.17 1pfh s VAL 61 CO 0.33 -0.27 1.24 -0.89 -0.31 0.00 0.00 175.10 175.20 1pfh s THR 62 N 1.06 4.09 -0.88 5.32 2.01 -0.70 -1.91 115.64 124.63 1pfh s THR 62 Ca -0.01 -0.47 -0.19 0.00 0.31 0.00 0.00 61.69 61.33 1pfh s THR 62 Cb -0.20 -4.89 0.12 0.00 0.01 0.00 0.00 72.50 67.55 1pfh s THR 62 CO -0.05 -1.73 1.09 -0.63 -0.69 0.00 0.00 174.62 172.60 1pfh s ILE 63 N 4.60 4.67 -0.24 1.82 1.01 -0.51 -0.88 121.20 131.69 1pfh s ILE 63 Ca 0.35 -1.38 -0.08 0.00 0.00 0.00 0.00 60.65 59.54 1pfh s ILE 63 Cb -0.07 -4.76 -0.04 0.00 0.01 0.00 0.00 42.46 37.61 1pfh s ILE 63 CO 0.02 -1.49 0.09 -0.44 0.00 0.00 0.00 174.94 173.12 1pfh s SER 64 N 3.65 5.39 0.03 3.58 0.01 -0.91 -2.13 113.70 123.32 1pfh s SER 64 Ca 0.30 -0.11 0.01 0.00 1.31 0.00 0.00 55.95 57.47 1pfh s SER 64 Cb -0.07 -1.96 -0.02 0.00 0.21 0.00 0.00 66.02 64.18 1pfh s SER 64 CO -0.06 0.01 -0.06 0.00 0.41 0.00 0.00 173.24 173.55 1pfh s ALA 65 N 1.33 0.40 -0.05 1.44 0.00 -0.46 -0.90 121.76 123.52 1pfh s ALA 65 Ca 0.05 -0.60 0.01 0.00 0.00 0.00 0.00 51.96 51.43 1pfh s ALA 65 Cb -0.15 0.05 0.02 0.00 0.00 0.00 0.00 23.12 23.04 1pfh s ALA 65 CO 0.04 -0.04 -0.04 -2.00 0.00 0.00 0.00 175.76 173.72 1pfh s GLU 66 N -1.24 0.82 0.00 0.00 2.12 -1.26 -0.36 118.70 118.78 1pfh s GLU 66 Ca -0.09 -0.09 0.00 0.00 0.36 0.00 0.00 54.97 55.15 1pfh s GLU 66 Cb -0.08 -0.87 0.00 0.00 0.26 0.00 0.00 34.13 33.44 1pfh s GLU 66 CO -0.00 -0.11 0.00 0.41 -0.54 0.00 0.00 175.26 175.02 1pfh n GLY 67 N 4.19 0.91 0.42 -1.50 0.00 -1.26 -4.38 105.19 103.58 1pfh n GLY 67 Ca -0.22 -1.93 0.24 0.00 0.00 0.00 0.00 46.02 44.10 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 0.00 0.32 -0.00 1.61 5.08 -2.00 -1.86 114.58 117.73 1pfh h GLU 68 Ca 0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1pfh h GLU 68 Cb 0.00 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.18 1pfh h GLU 68 CO 0.00 0.21 0.00 -0.40 -1.00 0.00 0.00 179.01 177.82 1pfh n ASP 69 N -4.53 2.10 -0.25 1.42 5.68 -1.26 -4.94 116.55 114.78 1pfh n ASP 69 Ca 0.24 -2.30 -0.01 0.00 -0.50 0.00 0.00 54.79 52.22 1pfh n ASP 69 Cb 0.89 -0.12 0.02 0.00 -1.14 0.00 0.00 41.12 40.77 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 -0.75 -0.16 0.29 0.11 0.28 -0.70 0.10 120.64 119.81 1pfh n GLU 70 Ca 0.04 1.00 -0.12 0.00 -0.16 0.00 0.00 57.16 57.93 1pfh n GLU 70 Cb 0.36 -1.49 -0.06 0.00 1.43 0.00 0.00 31.44 31.69 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 -0.75 -0.80 3.44 -0.00 -1.89 -2.57 115.11 112.54 1pfh h GLN 71 Ca 0.22 0.05 0.17 0.00 -0.00 0.00 0.00 58.65 59.09 1pfh h GLN 71 Cb 0.39 0.17 -0.05 0.00 -0.00 0.00 0.00 27.48 27.98 1pfh h GLN 71 CO -0.65 -0.50 0.53 0.87 -0.00 0.00 0.00 178.83 179.09 1pfh h LYS 72 N -1.19 0.40 0.62 0.06 1.57 -1.48 -0.29 116.57 116.27 1pfh h LYS 72 Ca -0.08 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.65 1pfh h LYS 72 Cb 0.60 -0.09 0.01 0.00 0.08 0.00 0.00 32.23 32.82 1pfh h LYS 72 CO 0.13 0.27 -0.30 0.00 -0.57 0.00 0.00 179.45 178.98 1pfh h ALA 73 N 1.63 -0.84 0.15 3.86 0.00 -0.37 -3.02 119.26 120.66 1pfh h ALA 73 Ca 0.40 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1pfh h ALA 73 Cb 0.95 0.32 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1pfh h ALA 73 CO -0.14 -0.79 -0.07 0.28 0.00 0.00 0.00 179.25 178.53 1pfh h VAL 74 N -1.20 0.95 -0.45 0.00 2.07 -1.01 -1.63 116.25 114.99 1pfh h VAL 74 Ca -0.09 -0.41 0.09 0.00 0.82 0.00 0.00 66.70 67.12 1pfh h VAL 74 Cb 0.66 1.20 -0.09 0.00 -1.52 0.00 0.00 31.29 31.54 1pfh h VAL 74 CO 0.14 0.10 -0.21 -0.08 0.02 0.00 0.00 177.57 177.54 1pfh h GLU 75 N -0.39 -0.11 0.47 1.57 4.81 -1.24 0.25 114.58 119.94 1pfh h GLU 75 Ca -0.02 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 1pfh h GLU 75 Cb 0.31 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.71 1pfh h GLU 75 CO 0.03 -0.07 -0.28 1.25 -0.73 0.00 0.00 179.01 179.21 1pfh h HIS 76 N -0.12 -0.74 -0.61 0.92 2.76 -1.42 -0.94 115.15 115.01 1pfh h HIS 76 Ca 0.21 -0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.35 1pfh h HIS 76 Cb 0.45 0.26 -0.03 0.00 1.55 0.00 0.00 27.41 29.64 1pfh h HIS 76 CO -0.47 -0.44 0.29 1.25 -1.30 0.00 0.00 177.93 177.26 1pfh h LEU 77 N -0.72 0.78 -0.33 0.26 5.85 -0.53 -1.18 115.31 119.45 1pfh h LEU 77 Ca -0.06 -0.08 -0.20 0.00 0.84 0.00 0.00 57.88 58.39 1pfh h LEU 77 Cb 0.58 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.41 1pfh h LEU 77 CO 0.06 0.67 -0.75 0.58 -0.34 0.00 0.00 178.44 178.66 1pfh h VAL 78 N 0.86 1.35 -0.72 1.05 2.07 -0.49 -2.91 116.25 117.46 1pfh h VAL 78 Ca 0.21 -2.11 0.01 0.00 0.82 0.00 0.00 66.70 65.63 1pfh h VAL 78 Cb 0.10 2.09 -0.04 0.00 -1.52 0.00 0.00 31.29 31.92 1pfh h VAL 78 CO -0.03 0.64 0.47 0.11 0.02 0.00 0.00 177.57 178.79 1pfh h LYS 79 N 0.34 0.95 -0.95 1.57 1.57 -0.50 -2.21 116.57 117.35 1pfh h LYS 79 Ca -0.04 -0.06 0.06 0.00 -1.87 0.00 0.00 60.65 58.74 1pfh h LYS 79 Cb 1.34 -0.21 -0.06 0.00 0.08 0.00 0.00 32.23 33.38 1pfh h LYS 79 CO 0.14 0.64 0.61 1.25 -0.57 0.00 0.00 179.45 181.51 1pfh h LEU 80 N 0.98 0.97 -1.23 2.94 5.85 -1.07 0.20 115.31 123.95 1pfh h LEU 80 Ca 0.26 0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.92 1pfh h LEU 80 Cb -0.10 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.72 1pfh h LEU 80 CO -0.06 0.62 -0.33 -0.03 -0.34 0.00 0.00 178.44 178.31 1pfh h MET 81 N 1.11 0.00 0.00 1.25 4.05 -1.27 -2.83 114.93 117.24 1pfh h MET 81 Ca 0.41 0.00 -0.17 0.00 -0.28 0.00 0.00 59.70 59.66 1pfh h MET 81 Cb 0.16 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 30.93 1pfh h MET 81 CO -0.17 0.33 -1.11 0.00 0.23 0.00 0.00 176.91 176.19 1pfh h ALA 82 N 1.67 0.63 -0.46 0.39 0.00 -0.47 -3.28 119.26 117.74 1pfh h ALA 82 Ca -0.00 -0.81 -0.22 0.00 0.00 0.00 0.00 54.91 53.88 1pfh h ALA 82 Cb 0.72 0.13 -0.13 0.00 0.00 0.00 0.00 17.79 18.50 1pfh h ALA 82 CO 0.04 0.95 0.28 0.39 0.00 0.00 0.00 179.25 180.92 1pfh n GLU 83 N -3.08 1.77 -4.28 0.00 1.02 0.54 -4.93 120.64 111.67 1pfh n GLU 83 Ca -0.06 -1.47 -0.21 0.00 -0.02 0.00 0.00 57.16 55.40 1pfh n GLU 83 Cb 0.85 -1.61 -0.12 0.00 -0.02 0.00 0.00 31.44 30.54 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 -1.57 2.37 0.00 -4.62 1.43 -1.17 -5.01 118.68 110.12 1pfh s LEU 84 Ca 0.28 -0.78 0.00 0.00 -1.03 0.00 0.00 54.13 52.60 1pfh s LEU 84 Cb 0.23 -0.75 0.00 0.00 0.03 0.00 0.00 46.19 45.69 1pfh s LEU 84 CO 0.06 -0.04 0.33 -0.62 0.23 0.00 0.00 176.35 176.31