#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pfn s SER 4 N 0.00 3.48 -0.27 3.17 0.15 -1.26 -4.50 113.70 114.47 1pfn s SER 4 Ca 0.00 1.67 -0.03 0.00 0.70 0.00 0.00 55.95 58.30 1pfn s SER 4 Cb 0.00 -2.33 0.01 0.00 -1.71 0.00 0.00 66.02 61.99 1pfn s SER 4 CO 0.00 -2.66 0.05 0.00 1.20 0.00 0.00 173.24 171.83 1pfn n ALA 5 N -3.91 -3.47 -3.01 5.45 0.00 -1.26 -5.04 120.51 109.27 1pfn n ALA 5 Ca 0.08 0.86 0.02 0.00 0.00 0.00 0.00 53.44 54.40 1pfn n ALA 5 Cb 0.54 -1.73 -0.00 0.00 0.00 0.00 0.00 19.45 18.26 1pfn n ALA 5 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1pfn s LYS 6 N -1.41 0.48 0.41 0.00 2.47 -1.26 -5.13 119.74 115.30 1pfn s LYS 6 Ca -0.06 -0.09 0.00 0.00 -1.56 0.00 0.00 55.97 54.26 1pfn s LYS 6 Cb 0.00 0.07 0.00 0.00 -1.46 0.00 0.00 37.83 36.45 1pfn s LYS 6 CO 0.76 -0.71 0.00 -1.91 0.16 0.00 0.00 175.35 173.64 1pfn n GLU 7 N 4.23 -2.79 0.00 4.03 4.07 -1.26 -5.07 120.64 123.84 1pfn n GLU 7 Ca 0.08 2.18 0.00 0.00 -0.06 0.00 0.00 57.16 59.36 1pfn n GLU 7 Cb 0.60 -2.75 0.00 0.00 -0.06 0.00 0.00 31.44 29.22 1pfn n GLU 7 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 1pfn n LEU 8 N -2.39 0.00 -2.67 4.31 0.00 -1.25 -5.01 117.00 109.99 1pfn n LEU 8 Ca -0.01 0.00 -0.03 0.00 0.00 0.00 0.00 56.01 55.97 1pfn n LEU 8 Cb 0.35 0.00 0.03 0.00 0.00 0.00 0.00 43.42 43.80 1pfn n LEU 8 CO 0.00 0.00 0.49 -0.60 0.00 0.00 0.00 177.39 177.28 1pfn s ARG 9 N 0.00 0.20 0.11 1.96 3.52 -0.83 -5.04 118.95 118.86 1pfn s ARG 9 Ca 0.00 -0.19 -0.30 0.00 -0.13 0.00 0.00 55.73 55.11 1pfn s ARG 9 Cb 0.00 -0.01 -0.06 0.00 -1.56 0.00 0.00 34.95 33.32 1pfn s ARG 9 CO 0.00 -0.25 0.99 0.00 -0.81 0.00 0.00 175.30 175.23 1pfn h GLN 11 N 5.70 0.00 -3.56 0.00 5.75 -2.01 -3.33 115.11 117.66 1pfn h GLN 11 Ca -0.43 0.00 -0.47 0.00 -0.15 0.00 0.00 58.65 57.60 1pfn h GLN 11 Cb 1.21 0.00 -0.39 0.00 1.07 0.00 0.00 27.48 29.37 1pfn h GLN 11 CO 0.73 0.00 -0.76 0.00 -2.65 0.00 0.00 178.83 176.14 1pfn s VAL 13 N 1.94 4.72 0.10 0.00 -7.23 -1.25 -4.89 120.40 113.79 1pfn s VAL 13 Ca 0.02 0.78 0.00 0.00 -1.81 0.00 0.00 61.98 60.97 1pfn s VAL 13 Cb -0.15 -3.81 0.00 0.00 0.56 0.00 0.00 36.38 32.98 1pfn s VAL 13 CO -0.07 -0.87 0.00 0.29 -0.31 0.00 0.00 175.10 174.15 1pfn n LYS 14 N -2.11 -0.87 -4.10 4.82 5.02 -1.26 -4.65 118.16 115.01 1pfn n LYS 14 Ca 0.04 0.57 -0.34 0.00 -2.02 0.00 0.00 58.31 56.56 1pfn n LYS 14 Cb 0.54 -1.06 -0.10 0.00 -0.02 0.00 0.00 35.03 34.40 1pfn n LYS 14 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1pfn s THR 15 N -1.07 4.63 -1.16 -0.18 2.01 -1.26 -4.94 115.64 113.67 1pfn s THR 15 Ca 0.00 -0.10 -0.05 0.00 0.31 0.00 0.00 61.69 61.86 1pfn s THR 15 Cb 0.00 -3.06 0.13 0.00 0.01 0.00 0.00 72.50 69.58 1pfn s THR 15 CO 0.00 0.49 2.40 0.41 -0.69 0.00 0.00 174.62 177.23 1pfn n THR 16 N 3.32 5.01 1.29 -0.82 -1.04 0.01 -4.62 114.28 117.42 1pfn n THR 16 Ca -0.17 -4.26 0.12 0.00 -2.04 0.00 0.00 64.05 57.70 1pfn n THR 16 Cb 0.52 -1.95 0.65 0.00 -1.82 0.00 0.00 70.33 67.73 1pfn n THR 16 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1pfn n SER 17 N 1.42 0.00 0.24 8.00 2.88 -1.25 -3.44 113.62 121.46 1pfn n SER 17 Ca 0.59 -0.36 0.18 0.00 -1.33 0.00 0.00 58.87 57.95 1pfn n SER 17 Cb 0.29 -0.16 0.84 0.00 -0.75 0.00 0.00 64.21 64.43 1pfn n SER 17 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 1pfn h GLN 18 N 0.00 0.00 -6.87 -1.46 1.08 -1.91 -3.40 115.11 102.55 1pfn h GLN 18 Ca 0.00 0.00 -0.47 0.00 -1.45 0.00 0.00 58.65 56.73 1pfn h GLN 18 Cb 0.12 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.53 1pfn h GLN 18 CO 0.00 0.00 0.24 0.08 -0.95 0.00 0.00 178.83 178.20 1pfn s VAL 19 N -4.36 4.46 0.07 -0.54 1.01 -1.22 -5.06 120.40 114.77 1pfn s VAL 19 Ca -0.04 1.37 0.00 0.00 0.00 0.00 0.00 61.98 63.31 1pfn s VAL 19 Cb 0.12 -3.71 -0.04 0.00 0.00 0.00 0.00 36.38 32.75 1pfn s VAL 19 CO 0.42 -0.13 0.22 -0.13 0.00 0.00 0.00 175.10 175.48 1pfn s ARG 20 N -2.76 3.44 -0.65 2.72 1.81 -1.26 -5.04 118.95 117.20 1pfn s ARG 20 Ca 0.55 -0.47 -0.28 0.00 -1.72 0.00 0.00 55.73 53.82 1pfn s ARG 20 Cb -0.12 -3.03 0.03 0.00 -0.45 0.00 0.00 34.95 31.38 1pfn s ARG 20 CO 0.17 0.59 1.27 -1.25 -0.68 0.00 0.00 175.30 175.40 1pfn s PRO 21 N -2.63 3.34 0.00 3.54 0.04 -1.26 -4.27 135.00 133.76 1pfn s PRO 21 Ca 0.35 0.07 0.00 0.00 0.04 0.00 0.00 61.00 61.46 1pfn s PRO 21 Cb -0.13 -4.10 0.00 0.00 0.04 0.00 0.00 34.50 30.31 1pfn s PRO 21 CO 0.28 -1.93 0.00 0.54 0.04 0.00 0.00 177.00 175.93 1pfn n ARG 22 N 8.88 0.00 -0.46 4.56 1.74 -1.26 -4.93 116.66 125.19 1pfn n ARG 22 Ca 0.07 0.00 0.05 0.00 -0.77 0.00 0.00 57.85 57.20 1pfn n ARG 22 Cb 0.49 0.00 0.24 0.00 -1.02 0.00 0.00 32.46 32.17 1pfn n ARG 22 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1pfn n HIS 23 N -2.12 1.08 -2.34 -1.55 -0.00 -1.26 -4.93 115.22 104.11 1pfn n HIS 23 Ca 0.00 -0.40 -0.34 0.00 -0.00 0.00 0.00 57.72 56.98 1pfn n HIS 23 Cb 0.00 -0.25 -0.01 0.00 -0.00 0.00 0.00 29.99 29.73 1pfn n HIS 23 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 1pfn s ILE 24 N -1.88 3.59 0.00 1.59 -1.09 -1.26 0.20 121.20 122.35 1pfn s ILE 24 Ca 0.33 0.94 0.00 0.00 -2.23 0.00 0.00 60.65 59.68 1pfn s ILE 24 Cb 0.23 -3.38 0.00 0.00 -1.58 0.00 0.00 42.46 37.73 1pfn s ILE 24 CO 0.13 -0.27 0.00 1.07 -1.23 0.00 0.00 174.94 174.64 1pfn n THR 25 N -1.31 0.00 -3.43 2.92 5.66 -0.78 -4.71 114.28 112.62 1pfn n THR 25 Ca 0.10 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.97 1pfn n THR 25 Cb 0.52 -0.78 -0.02 0.00 -1.55 0.00 0.00 70.33 68.50 1pfn n THR 25 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 1pfn s SER 26 N -4.28 -0.57 -0.05 1.09 0.01 -1.19 -5.04 113.70 103.65 1pfn s SER 26 Ca 0.00 0.08 -0.10 0.00 1.31 0.00 0.00 55.95 57.24 1pfn s SER 26 Cb 0.00 0.58 0.02 0.00 0.21 0.00 0.00 66.02 66.83 1pfn s SER 26 CO 0.00 -0.91 0.24 -0.22 0.41 0.00 0.00 173.24 172.75 1pfn s LEU 27 N -2.56 1.12 0.24 2.44 0.20 -1.26 -0.05 118.68 118.81 1pfn s LEU 27 Ca -0.00 0.23 0.02 0.00 0.69 0.00 0.00 54.13 55.07 1pfn s LEU 27 Cb -0.01 0.91 -0.03 0.00 -0.43 0.00 0.00 46.19 46.63 1pfn s LEU 27 CO -0.10 -0.24 0.40 -1.83 -0.29 0.00 0.00 176.35 174.29 1pfn s GLU 28 N -0.58 3.47 -0.17 1.98 -1.05 -0.36 -4.96 118.70 117.02 1pfn s GLU 28 Ca -0.07 -0.54 -0.04 0.00 -0.15 0.00 0.00 54.97 54.17 1pfn s GLU 28 Cb -0.04 -2.84 0.07 0.00 -0.44 0.00 0.00 34.13 30.88 1pfn s GLU 28 CO 0.02 0.37 0.14 0.54 0.95 0.00 0.00 175.26 177.28 1pfn s VAL 29 N -2.00 -0.19 0.07 1.83 0.11 -1.26 -2.26 120.40 116.70 1pfn s VAL 29 Ca 0.36 -0.10 0.07 0.00 -2.93 0.00 0.00 61.98 59.39 1pfn s VAL 29 Cb -0.10 -0.58 -0.04 0.00 -1.53 0.00 0.00 36.38 34.13 1pfn s VAL 29 CO 0.31 -0.21 -0.15 0.27 -3.33 0.00 0.00 175.10 171.98 1pfn s ILE 30 N 2.22 3.03 0.21 7.04 -5.25 -0.56 -5.02 121.20 122.86 1pfn s ILE 30 Ca 0.04 -1.24 -0.03 0.00 -0.99 0.00 0.00 60.65 58.43 1pfn s ILE 30 Cb -0.16 -2.34 0.05 0.00 2.95 0.00 0.00 42.46 42.96 1pfn s ILE 30 CO -0.10 0.23 0.27 1.17 -1.79 0.00 0.00 174.94 174.73 1pfn n LYS 31 N 1.17 -0.36 -2.46 0.37 4.81 -1.26 -2.18 118.16 118.26 1pfn n LYS 31 Ca -0.15 -0.42 -0.39 0.00 -0.87 0.00 0.00 58.31 56.48 1pfn n LYS 31 Cb 0.52 -0.29 -0.03 0.00 0.02 0.00 0.00 35.03 35.25 1pfn n LYS 31 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1pfn s ALA 32 N -3.92 2.52 1.00 3.14 0.00 -1.24 -4.04 121.76 119.22 1pfn s ALA 32 Ca 0.15 -1.96 0.00 0.00 0.00 0.00 0.00 51.96 50.16 1pfn s ALA 32 Cb -0.00 -4.49 0.00 0.00 0.00 0.00 0.00 23.12 18.63 1pfn s ALA 32 CO 0.11 -3.78 0.00 0.41 0.00 0.00 0.00 175.76 172.50 1pfn n GLY 33 N 6.64 -2.28 0.02 0.00 0.00 0.49 -4.54 105.19 105.53 1pfn n GLY 33 Ca 0.30 -1.40 -0.01 0.00 0.00 0.00 0.00 46.02 44.91 1pfn n GLY 33 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1pfn h PRO 34 N 0.00 -0.05 -0.85 1.61 0.13 -1.96 -2.25 132.00 128.63 1pfn h PRO 34 Ca 0.00 0.00 0.19 0.00 -0.87 0.00 0.00 66.00 65.32 1pfn h PRO 34 Cb 0.00 0.01 -0.06 0.00 0.13 0.00 0.00 31.00 31.08 1pfn h PRO 34 CO 0.00 -0.03 0.57 1.12 -0.23 0.00 0.00 178.00 179.43 1pfn h HIS 35 N -0.14 0.46 -3.14 1.56 2.07 -1.94 -2.93 115.15 111.09 1pfn h HIS 35 Ca -0.01 0.01 -0.66 0.00 -2.85 0.00 0.00 60.37 56.87 1pfn h HIS 35 Cb 0.04 -0.14 -0.39 0.00 2.57 0.00 0.00 27.41 29.49 1pfn h HIS 35 CO 0.06 0.14 -0.34 0.00 -3.07 0.00 0.00 177.93 174.72 1pfn n PRO 37 N 2.03 0.06 -3.34 0.00 -0.04 -0.85 0.19 135.00 133.05 1pfn n PRO 37 Ca 0.21 0.30 -0.28 0.00 -0.04 0.00 0.00 63.50 63.70 1pfn n PRO 37 Cb 0.36 -1.60 -0.03 0.00 -0.04 0.00 0.00 33.50 32.19 1pfn n PRO 37 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1pfn s THR 38 N -3.09 5.05 0.15 0.52 -1.32 -1.26 -4.63 115.64 111.06 1pfn s THR 38 Ca 0.06 -0.06 -0.31 0.00 -1.21 0.00 0.00 61.69 60.17 1pfn s THR 38 Cb 0.09 -3.76 -0.09 0.00 -1.51 0.00 0.00 72.50 67.23 1pfn s THR 38 CO 0.30 -0.38 1.50 0.00 -2.21 0.00 0.00 174.62 173.83 1pfn s ALA 39 N -2.14 3.71 -0.02 11.08 0.00 -1.26 -3.73 121.76 129.40 1pfn s ALA 39 Ca 0.43 1.28 0.08 0.00 0.00 0.00 0.00 51.96 53.75 1pfn s ALA 39 Cb -0.10 -3.59 -0.02 0.00 0.00 0.00 0.00 23.12 19.41 1pfn s ALA 39 CO 0.32 -0.72 -0.25 -1.14 0.00 0.00 0.00 175.76 173.97 1pfn s GLN 40 N 1.08 2.05 -0.03 0.00 0.74 -0.93 -4.89 119.66 117.68 1pfn s GLN 40 Ca 0.68 -0.91 -0.00 0.00 0.05 0.00 0.00 55.36 55.18 1pfn s GLN 40 Cb -0.41 -1.98 0.03 0.00 1.10 0.00 0.00 33.01 31.74 1pfn s GLN 40 CO 0.31 0.54 0.02 -1.17 -0.55 0.00 0.00 175.29 174.44 1pfn s LEU 41 N -0.61 1.02 0.35 3.68 2.96 -1.26 -1.50 118.68 123.32 1pfn s LEU 41 Ca 0.10 0.00 0.09 0.00 -0.22 0.00 0.00 54.13 54.10 1pfn s LEU 41 Cb -0.10 -0.17 -0.06 0.00 0.50 0.00 0.00 46.19 46.36 1pfn s LEU 41 CO -0.01 -0.13 -0.05 -0.63 -1.32 0.00 0.00 176.35 174.21 1pfn s ILE 42 N 1.18 2.35 0.27 6.68 -1.09 -0.96 -2.26 121.20 127.38 1pfn s ILE 42 Ca -0.08 -2.11 0.04 0.00 -2.23 0.00 0.00 60.65 56.27 1pfn s ILE 42 Cb -0.13 -2.72 -0.02 0.00 -1.58 0.00 0.00 42.46 38.02 1pfn s ILE 42 CO -0.02 -0.19 0.27 0.00 -1.23 0.00 0.00 174.94 173.77 1pfn n ALA 43 N -0.86 0.36 -3.15 9.38 0.00 -0.97 -1.22 120.51 124.05 1pfn n ALA 43 Ca -0.05 -1.52 -0.13 0.00 0.00 0.00 0.00 53.44 51.75 1pfn n ALA 43 Cb 0.63 1.23 -0.13 0.00 0.00 0.00 0.00 19.45 21.18 1pfn n ALA 43 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1pfn s THR 44 N -3.01 -0.01 0.07 0.00 2.01 0.93 -3.02 115.64 112.61 1pfn s THR 44 Ca 0.30 0.03 0.01 0.00 0.31 0.00 0.00 61.69 62.35 1pfn s THR 44 Cb 0.01 -0.21 0.01 0.00 0.01 0.00 0.00 72.50 72.33 1pfn s THR 44 CO 0.21 0.01 0.09 0.18 -0.69 0.00 0.00 174.62 174.43 1pfn n LEU 45 N 3.23 0.00 0.15 4.42 7.99 -1.09 -1.87 117.00 129.82 1pfn n LEU 45 Ca -0.15 -0.28 0.00 0.00 -0.01 0.00 0.00 56.01 55.57 1pfn n LEU 45 Cb 0.58 -0.05 0.19 0.00 -0.11 0.00 0.00 43.42 44.02 1pfn n LEU 45 CO 0.21 -0.52 0.52 0.07 -1.51 0.00 0.00 177.39 176.15 1pfn h LYS 46 N 0.00 0.00 -4.61 3.23 2.10 -0.53 -3.33 116.57 113.43 1pfn h LYS 46 Ca -0.03 0.00 -0.71 0.00 -2.00 0.00 0.00 60.65 57.90 1pfn h LYS 46 Cb 0.14 0.00 -0.20 0.00 -0.90 0.00 0.00 32.23 31.27 1pfn h LYS 46 CO 0.04 0.57 0.28 -0.80 -2.00 0.00 0.00 179.45 177.55 1pfn s ASN 47 N -6.69 6.40 -0.01 7.07 0.01 -1.26 -4.88 114.94 115.57 1pfn s ASN 47 Ca -0.00 -1.81 -0.00 0.00 -0.71 0.00 0.00 52.86 50.34 1pfn s ASN 47 Cb 0.12 -2.31 -0.00 0.00 0.41 0.00 0.00 41.25 39.46 1pfn s ASN 47 CO 0.74 -1.01 0.54 0.61 -1.51 0.00 0.00 177.10 176.48 1pfn n GLY 48 N 5.07 -0.01 3.34 0.66 0.00 -1.25 -4.75 105.19 108.26 1pfn n GLY 48 Ca 0.03 -0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.84 1pfn n GLY 48 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1pfn s ARG 49 N 2.66 1.81 -0.14 1.61 1.70 -1.26 -4.97 118.95 120.36 1pfn s ARG 49 Ca 0.02 -2.07 -0.06 0.00 -0.47 0.00 0.00 55.73 53.15 1pfn s ARG 49 Cb -0.01 0.11 0.06 0.00 -0.57 0.00 0.00 34.95 34.54 1pfn s ARG 49 CO 0.01 -0.62 0.30 0.15 -1.08 0.00 0.00 175.30 174.06 1pfn s LYS 50 N -3.50 0.22 0.00 3.89 3.01 -1.26 -2.68 119.74 119.42 1pfn s LYS 50 Ca 0.36 0.75 0.00 0.00 -1.01 0.00 0.00 55.97 56.07 1pfn s LYS 50 Cb 0.02 0.01 0.00 0.00 -1.01 0.00 0.00 37.83 36.85 1pfn s LYS 50 CO 0.25 -0.23 0.00 0.44 0.51 0.00 0.00 175.35 176.31 1pfn n ILE 51 N 4.95 0.00 -3.62 2.17 -6.64 -1.17 -4.87 119.36 110.18 1pfn n ILE 51 Ca -0.13 0.00 -0.05 0.00 -1.77 0.00 0.00 62.75 60.80 1pfn n ILE 51 Cb 0.51 0.00 -0.05 0.00 -1.44 0.00 0.00 39.64 38.66 1pfn n ILE 51 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1pfn s LEU 53 N -0.89 1.90 0.00 0.00 1.43 -0.96 -0.81 118.68 119.34 1pfn s LEU 53 Ca 0.05 -1.49 -0.03 0.00 -1.03 0.00 0.00 54.13 51.64 1pfn s LEU 53 Cb -0.01 -0.10 0.14 0.00 0.03 0.00 0.00 46.19 46.24 1pfn s LEU 53 CO -0.06 -0.77 0.92 0.47 0.23 0.00 0.00 176.35 177.14 1pfn n ASP 54 N -0.83 0.93 0.00 2.29 8.00 -1.26 -4.00 116.55 121.68 1pfn n ASP 54 Ca -0.02 -1.86 0.00 0.00 0.71 0.00 0.00 54.79 53.62 1pfn n ASP 54 Cb 0.66 -0.62 0.00 0.00 -0.02 0.00 0.00 41.12 41.14 1pfn n ASP 54 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1pfn n LEU 55 N 0.00 0.00 -1.54 0.64 -0.00 -1.26 -4.66 117.00 110.18 1pfn n LEU 55 Ca 0.14 -0.15 -0.02 0.00 -0.00 0.00 0.00 56.01 55.98 1pfn n LEU 55 Cb 0.50 0.00 0.22 0.00 -0.00 0.00 0.00 43.42 44.15 1pfn n LEU 55 CO 0.35 0.00 0.77 0.00 -0.00 0.00 0.00 177.39 178.51 1pfn n GLN 56 N -1.06 3.04 -4.16 1.47 6.02 -1.26 -4.88 117.38 116.54 1pfn n GLN 56 Ca 0.00 -2.05 -0.14 0.00 -0.01 0.00 0.00 57.00 54.80 1pfn n GLN 56 Cb 0.00 -1.94 -0.11 0.00 1.02 0.00 0.00 30.24 29.22 1pfn n GLN 56 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1pfn s ALA 57 N -2.16 1.04 -1.96 -1.58 0.00 -1.26 -5.02 121.76 110.82 1pfn s ALA 57 Ca 0.36 -1.15 0.30 0.00 0.00 0.00 0.00 51.96 51.48 1pfn s ALA 57 Cb 0.29 0.04 1.76 0.00 0.00 0.00 0.00 23.12 25.20 1pfn s ALA 57 CO 0.09 -0.04 2.11 -0.35 0.00 0.00 0.00 175.76 177.57 1pfn n PRO 58 N 0.64 0.90 0.16 0.00 -0.04 -1.26 -3.88 135.00 131.52 1pfn n PRO 58 Ca -0.17 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.15 1pfn n PRO 58 Cb 0.57 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.45 1pfn n PRO 58 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1pfn h LEU 59 N 0.00 -0.32 -1.36 1.53 5.85 -1.95 -2.09 115.31 116.96 1pfn h LEU 59 Ca 0.00 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 1pfn h LEU 59 Cb 0.02 0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.13 1pfn h LEU 59 CO 0.00 -0.11 -0.05 0.10 -0.34 0.00 0.00 178.44 178.04 1pfn h TYR 60 N -0.53 0.00 0.00 1.25 -0.00 -1.84 -1.81 116.97 114.04 1pfn h TYR 60 Ca -0.04 0.00 -0.01 0.00 -0.00 0.00 0.00 58.73 58.68 1pfn h TYR 60 Cb 0.39 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 37.12 1pfn h TYR 60 CO -0.02 0.05 -0.03 -0.22 -0.00 0.00 0.00 178.16 177.94 1pfn h LYS 61 N 0.00 0.00 0.00 0.10 3.64 -1.55 0.49 116.57 119.26 1pfn h LYS 61 Ca -0.00 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.21 1pfn h LYS 61 Cb 0.57 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.37 1pfn h LYS 61 CO 0.01 0.03 -0.79 0.87 -2.27 0.00 0.00 179.45 177.31 1pfn h LYS 62 N 0.00 0.00 0.28 1.90 1.79 -0.81 -1.39 116.57 118.34 1pfn h LYS 62 Ca -0.00 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.46 1pfn h LYS 62 Cb 0.36 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.01 1pfn h LYS 62 CO 0.00 0.79 -0.14 0.82 -1.08 0.00 0.00 179.45 179.84 1pfn h ILE 63 N 0.00 0.62 -0.57 1.86 2.04 -0.94 -0.16 117.51 120.36 1pfn h ILE 63 Ca -0.01 -0.80 -0.03 0.00 1.00 0.00 0.00 64.86 65.02 1pfn h ILE 63 Cb 1.57 0.98 -0.03 0.00 -0.74 0.00 0.00 36.82 38.61 1pfn h ILE 63 CO 0.10 0.14 0.25 0.40 0.00 0.00 0.00 178.15 179.04 1pfn h ILE 64 N -0.88 1.22 0.00 -0.67 2.04 -1.40 -0.50 117.51 117.31 1pfn h ILE 64 Ca -0.04 -0.64 -0.02 0.00 1.00 0.00 0.00 64.86 65.15 1pfn h ILE 64 Cb 0.51 0.58 -0.00 0.00 -0.74 0.00 0.00 36.82 37.17 1pfn h ILE 64 CO 0.06 0.25 -0.11 0.11 0.00 0.00 0.00 178.15 178.47 1pfn h LYS 65 N 0.78 0.00 0.00 2.37 1.79 -1.29 0.21 116.57 120.44 1pfn h LYS 65 Ca 0.19 0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 58.55 1pfn h LYS 65 Cb 0.16 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.80 1pfn h LYS 65 CO -0.02 0.11 -0.55 0.87 -1.08 0.00 0.00 179.45 178.78 1pfn h LYS 66 N 0.00 0.00 0.00 3.15 1.57 0.20 -2.16 116.57 119.33 1pfn h LYS 66 Ca -0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1pfn h LYS 66 Cb 0.21 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.51 1pfn h LYS 66 CO 0.01 0.55 -0.31 -0.07 -0.57 0.00 0.00 179.45 179.07 1pfn h LEU 67 N 0.00 0.00 0.16 2.94 3.38 0.50 -3.31 115.31 118.98 1pfn h LEU 67 Ca -0.01 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.62 1pfn h LEU 67 Cb 1.31 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.06 1pfn h LEU 67 CO 0.07 0.03 -1.77 -0.07 0.09 0.00 0.00 178.44 176.80 1pfn h LEU 68 N 0.00 0.52 -1.72 1.67 3.38 -1.00 -3.30 115.31 114.86 1pfn h LEU 68 Ca -0.00 -0.84 0.22 0.00 0.09 0.00 0.00 57.88 57.34 1pfn h LEU 68 Cb 1.03 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.58 1pfn h LEU 68 CO 0.00 1.72 0.75 1.05 0.09 0.00 0.00 178.44 182.06 1pfn h GLU 69 N 0.09 0.00 -0.03 1.13 -0.00 -1.48 -3.51 114.58 110.79 1pfn h GLU 69 Ca -0.34 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.02 1pfn h GLU 69 Cb 2.07 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.82 1pfn h GLU 69 CO 0.15 0.00 0.00 0.43 -0.00 0.00 0.00 179.01 179.59