#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pfn n SER 4 N 0.00 -5.23 -2.93 6.12 7.64 -1.26 -3.86 113.62 114.10 1pfn n SER 4 Ca 0.00 -0.80 -0.10 0.00 1.01 0.00 0.00 58.87 58.98 1pfn n SER 4 Cb 0.00 -4.59 0.01 0.00 -1.01 0.00 0.00 64.21 58.62 1pfn n SER 4 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1pfn n ALA 5 N -3.69 -2.97 -3.21 -0.43 0.00 -1.26 -5.04 120.51 103.91 1pfn n ALA 5 Ca -0.12 0.83 0.04 0.00 0.00 0.00 0.00 53.44 54.19 1pfn n ALA 5 Cb 0.62 -2.72 -0.04 0.00 0.00 0.00 0.00 19.45 17.31 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 -2.26 0.09 -0.10 0.00 2.20 -1.25 -4.91 119.74 113.50 1pfn s LYS 6 Ca 0.19 0.21 -0.08 0.00 -0.36 0.00 0.00 55.97 55.94 1pfn s LYS 6 Cb -0.04 0.12 0.03 0.00 -1.51 0.00 0.00 37.83 36.43 1pfn s LYS 6 CO 0.74 -0.04 0.15 0.39 -0.36 0.00 0.00 175.35 176.24 1pfn n GLU 7 N 4.77 -4.93 0.00 4.03 1.02 -1.26 -4.29 120.64 119.97 1pfn n GLU 7 Ca -0.07 3.64 0.00 0.00 -0.02 0.00 0.00 57.16 60.71 1pfn n GLU 7 Cb 0.55 -4.98 0.00 0.00 -0.02 0.00 0.00 31.44 26.98 1pfn n GLU 7 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1pfn n LEU 8 N 1.79 0.00 -0.35 -4.62 0.00 -1.25 -4.74 117.00 107.83 1pfn n LEU 8 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 56.01 55.75 1pfn n LEU 8 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.81 1pfn n LEU 8 CO 0.24 -0.23 0.21 -1.14 0.00 0.00 0.00 177.39 176.47 1pfn n ARG 9 N -1.70 0.00 -2.78 1.96 0.63 -0.87 -5.05 116.66 108.85 1pfn n ARG 9 Ca 0.00 -0.44 -0.41 0.00 -0.92 0.00 0.00 57.85 56.08 1pfn n ARG 9 Cb 0.00 -0.26 -0.05 0.00 0.45 0.00 0.00 32.46 32.60 1pfn n ARG 9 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1pfn n GLN 11 N 2.57 0.40 -3.79 0.00 1.13 -1.26 -4.64 117.38 111.79 1pfn n GLN 11 Ca 0.01 0.06 -0.34 0.00 -1.94 0.00 0.00 57.00 54.79 1pfn n GLN 11 Cb 0.49 -1.69 -0.11 0.00 0.11 0.00 0.00 30.24 29.04 1pfn n GLN 11 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1pfn s VAL 13 N -0.34 4.44 0.00 0.00 0.11 -1.26 -4.79 120.40 118.56 1pfn s VAL 13 Ca 0.18 -0.02 0.00 0.00 -2.93 0.00 0.00 61.98 59.21 1pfn s VAL 13 Cb -0.20 -3.69 0.00 0.00 -1.53 0.00 0.00 36.38 30.96 1pfn s VAL 13 CO -0.04 -0.64 0.00 0.29 -3.33 0.00 0.00 175.10 171.39 1pfn n LYS 14 N -2.28 0.00 -3.64 1.54 5.02 -1.26 -4.62 118.16 112.93 1pfn n LYS 14 Ca 0.01 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.20 1pfn n LYS 14 Cb 0.56 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.50 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 0.00 0.00 -1.10 -0.18 2.01 -1.26 -4.78 115.64 110.33 1pfn s THR 15 Ca 0.00 0.00 -0.04 0.00 0.31 0.00 0.00 61.69 61.96 1pfn s THR 15 Cb 0.00 -1.00 0.14 0.00 0.01 0.00 0.00 72.50 71.65 1pfn s THR 15 CO 0.00 0.00 2.38 0.41 -0.69 0.00 0.00 174.62 176.72 1pfn n THR 16 N 3.30 4.95 1.35 -0.82 -1.04 -0.43 -4.65 114.28 116.93 1pfn n THR 16 Ca -0.16 -4.29 0.11 0.00 -2.04 0.00 0.00 64.05 57.67 1pfn n THR 16 Cb 0.57 -1.89 0.65 0.00 -1.82 0.00 0.00 70.33 67.84 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 1.25 0.00 0.18 8.00 2.88 -1.25 -3.57 113.62 121.11 1pfn n SER 17 Ca 0.58 -0.58 0.18 0.00 -1.33 0.00 0.00 58.87 57.72 1pfn n SER 17 Cb 0.31 -0.06 0.75 0.00 -0.75 0.00 0.00 64.21 64.46 1pfn n SER 17 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 1pfn h GLN 18 N 0.00 0.00 -6.73 -1.46 5.75 -1.91 -3.40 115.11 107.37 1pfn h GLN 18 Ca 0.00 0.00 -0.50 0.00 -0.15 0.00 0.00 58.65 58.00 1pfn h GLN 18 Cb 0.04 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.59 1pfn h GLN 18 CO 0.00 0.00 0.04 0.08 -2.65 0.00 0.00 178.83 176.30 1pfn s VAL 19 N -4.40 4.84 0.23 2.39 1.01 -1.23 -5.09 120.40 118.15 1pfn s VAL 19 Ca -0.04 0.52 0.06 0.00 0.00 0.00 0.00 61.98 62.52 1pfn s VAL 19 Cb 0.12 -3.71 -0.03 0.00 0.00 0.00 0.00 36.38 32.76 1pfn s VAL 19 CO 0.43 -0.41 0.28 0.00 0.00 0.00 0.00 175.10 175.40 1pfn s ARG 20 N -3.62 3.20 0.91 2.72 3.03 -1.26 -5.11 118.95 118.81 1pfn s ARG 20 Ca 0.50 -0.88 -0.14 0.00 2.03 0.00 0.00 55.73 57.24 1pfn s ARG 20 Cb -0.10 -2.75 0.15 0.00 -1.03 0.00 0.00 34.95 31.21 1pfn s ARG 20 CO 0.29 0.43 1.22 -1.25 -1.13 0.00 0.00 175.30 174.86 1pfn s PRO 21 N -3.83 1.15 0.00 3.89 0.04 -1.26 -4.97 135.00 130.02 1pfn s PRO 21 Ca 0.33 -0.07 0.00 0.00 0.04 0.00 0.00 61.00 61.30 1pfn s PRO 21 Cb -0.09 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.58 1pfn s PRO 21 CO 0.27 -2.12 0.00 -2.13 0.04 0.00 0.00 177.00 173.06 1pfn n ARG 22 N -3.64 0.00 -2.14 4.56 0.63 -1.26 -4.91 116.66 109.89 1pfn n ARG 22 Ca 0.11 0.00 -0.08 0.00 -0.92 0.00 0.00 57.85 56.96 1pfn n ARG 22 Cb 0.60 0.00 -0.02 0.00 0.45 0.00 0.00 32.46 33.50 1pfn n ARG 22 CO 0.00 0.00 0.00 -2.39 -2.51 0.00 0.00 177.63 172.73 1pfn n HIS 23 N 0.48 -0.94 -2.36 -0.14 1.44 -1.26 -4.86 115.22 107.58 1pfn n HIS 23 Ca 0.00 0.13 -0.25 0.00 -2.01 0.00 0.00 57.72 55.59 1pfn n HIS 23 Cb 0.00 -0.71 0.12 0.00 0.12 0.00 0.00 29.99 29.52 1pfn n HIS 23 CO 0.00 0.00 0.00 -1.50 -2.81 0.00 0.00 176.34 172.03 1pfn s ILE 24 N -1.49 2.13 0.00 0.61 2.07 -1.26 -2.31 121.20 120.95 1pfn s ILE 24 Ca 0.16 -0.40 0.00 0.00 -1.41 0.00 0.00 60.65 59.00 1pfn s ILE 24 Cb -0.09 -2.74 0.00 0.00 0.13 0.00 0.00 42.46 39.76 1pfn s ILE 24 CO 0.20 0.00 0.00 1.07 -1.91 0.00 0.00 174.94 174.30 1pfn n THR 25 N -3.08 0.00 -3.51 4.00 5.66 -0.94 -4.56 114.28 111.84 1pfn n THR 25 Ca 0.14 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 61.05 1pfn n THR 25 Cb 0.60 -0.65 -0.03 0.00 -1.55 0.00 0.00 70.33 68.70 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 -4.70 -0.38 -0.04 1.09 0.01 -1.17 -5.04 113.70 103.48 1pfn s SER 26 Ca 0.00 0.09 -0.10 0.00 1.31 0.00 0.00 55.95 57.24 1pfn s SER 26 Cb 0.00 0.38 0.02 0.00 0.21 0.00 0.00 66.02 66.63 1pfn s SER 26 CO 0.00 -0.58 0.24 -1.48 0.41 0.00 0.00 173.24 171.83 1pfn s LEU 27 N -2.23 1.14 0.26 2.44 0.05 -1.26 0.81 118.68 119.89 1pfn s LEU 27 Ca 0.03 0.14 -0.08 0.00 0.05 0.00 0.00 54.13 54.28 1pfn s LEU 27 Cb -0.01 0.94 -0.06 0.00 -2.05 0.00 0.00 46.19 45.01 1pfn s LEU 27 CO -0.07 -0.30 0.57 -1.61 -0.55 0.00 0.00 176.35 174.39 1pfn s GLU 28 N -0.84 3.74 -0.37 1.48 2.02 0.56 -4.93 118.70 120.36 1pfn s GLU 28 Ca -0.09 0.19 0.01 0.00 0.02 0.00 0.00 54.97 55.09 1pfn s GLU 28 Cb -0.05 -2.63 0.12 0.00 0.10 0.00 0.00 34.13 31.67 1pfn s GLU 28 CO 0.02 0.25 0.18 0.08 0.02 0.00 0.00 175.26 175.81 1pfn s VAL 29 N -1.96 1.00 -0.13 2.63 1.01 -1.26 -1.96 120.40 119.74 1pfn s VAL 29 Ca 0.46 -1.96 -0.05 0.00 0.00 0.00 0.00 61.98 60.44 1pfn s VAL 29 Cb -0.11 -1.73 -0.04 0.00 0.00 0.00 0.00 36.38 34.50 1pfn s VAL 29 CO 0.25 -0.82 0.06 -0.63 0.00 0.00 0.00 175.10 173.96 1pfn s ILE 30 N 0.98 4.77 0.31 2.22 1.09 -0.13 -5.01 121.20 125.42 1pfn s ILE 30 Ca 0.14 -0.06 -0.05 0.00 -1.10 0.00 0.00 60.65 59.58 1pfn s ILE 30 Cb -0.21 -3.07 0.07 0.00 -1.06 0.00 0.00 42.46 38.18 1pfn s ILE 30 CO -0.10 0.56 0.41 1.17 -0.10 0.00 0.00 174.94 176.89 1pfn n LYS 31 N 2.57 -0.45 -2.48 2.79 4.81 -1.26 -1.77 118.16 122.37 1pfn n LYS 31 Ca -0.18 -0.64 -0.39 0.00 -0.87 0.00 0.00 58.31 56.23 1pfn n LYS 31 Cb 0.54 -0.43 -0.03 0.00 0.02 0.00 0.00 35.03 35.12 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 -3.95 2.58 1.00 3.14 0.00 -1.24 -4.09 121.76 119.19 1pfn s ALA 32 Ca 0.24 -1.93 0.00 0.00 0.00 0.00 0.00 51.96 50.27 1pfn s ALA 32 Cb -0.01 -4.47 0.00 0.00 0.00 0.00 0.00 23.12 18.64 1pfn s ALA 32 CO 0.17 -3.70 0.00 0.41 0.00 0.00 0.00 175.76 172.64 1pfn n GLY 33 N 6.53 0.19 0.01 0.00 0.00 0.46 -4.62 105.19 107.76 1pfn n GLY 33 Ca 0.27 -1.46 -0.00 0.00 0.00 0.00 0.00 46.02 44.83 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 -0.01 -0.01 1.61 0.13 -1.97 -3.00 132.00 128.75 1pfn h PRO 34 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1pfn h PRO 34 Cb 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 1pfn h PRO 34 CO 0.00 -0.00 0.06 1.12 -0.23 0.00 0.00 178.00 178.95 1pfn h HIS 35 N -0.06 0.00 -3.02 1.56 2.07 -1.96 -3.20 115.15 110.54 1pfn h HIS 35 Ca -0.00 0.00 -0.62 0.00 -2.85 0.00 0.00 60.37 56.90 1pfn h HIS 35 Cb 0.01 0.00 -0.41 0.00 2.57 0.00 0.00 27.41 29.58 1pfn h HIS 35 CO 0.02 0.00 -0.68 0.00 -3.07 0.00 0.00 177.93 174.21 1pfn h PRO 37 N 5.94 0.00 -6.66 0.00 0.13 -1.52 1.34 132.00 131.23 1pfn h PRO 37 Ca 0.08 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.74 1pfn h PRO 37 Cb 0.84 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.99 1pfn h PRO 37 CO 0.61 0.00 -0.10 -0.08 -0.23 0.00 0.00 178.00 178.21 1pfn s THR 38 N -3.37 4.78 0.16 1.56 -1.32 -1.26 -4.63 115.64 111.55 1pfn s THR 38 Ca 0.04 -0.32 -0.31 0.00 -1.21 0.00 0.00 61.69 59.90 1pfn s THR 38 Cb 0.09 -3.77 -0.08 0.00 -1.51 0.00 0.00 72.50 67.23 1pfn s THR 38 CO 0.45 -0.57 1.37 0.00 -2.21 0.00 0.00 174.62 173.66 1pfn s ALA 39 N -2.48 3.58 -0.10 11.08 0.00 -1.26 -3.65 121.76 128.93 1pfn s ALA 39 Ca 0.44 1.15 0.02 0.00 0.00 0.00 0.00 51.96 53.56 1pfn s ALA 39 Cb -0.10 -3.52 0.01 0.00 0.00 0.00 0.00 23.12 19.51 1pfn s ALA 39 CO 0.39 -0.61 -0.16 -1.14 0.00 0.00 0.00 175.76 174.25 1pfn s GLN 40 N 0.56 2.18 -0.06 0.00 0.74 -0.73 -4.92 119.66 117.44 1pfn s GLN 40 Ca 0.62 -0.56 0.01 0.00 0.05 0.00 0.00 55.36 55.48 1pfn s GLN 40 Cb -0.37 -1.81 0.02 0.00 1.10 0.00 0.00 33.01 31.95 1pfn s GLN 40 CO 0.34 -0.01 -0.08 -1.17 -0.55 0.00 0.00 175.29 173.82 1pfn s LEU 41 N 0.82 1.45 0.39 3.68 2.96 -1.25 -0.96 118.68 125.76 1pfn s LEU 41 Ca -0.10 -0.22 0.08 0.00 -0.22 0.00 0.00 54.13 53.67 1pfn s LEU 41 Cb -0.16 -0.64 -0.05 0.00 0.50 0.00 0.00 46.19 45.84 1pfn s LEU 41 CO 0.01 -0.02 0.16 -0.63 -1.32 0.00 0.00 176.35 174.55 1pfn s ILE 42 N 0.88 2.50 0.35 6.68 -1.09 -0.83 -2.17 121.20 127.53 1pfn s ILE 42 Ca -0.11 -1.71 0.04 0.00 -2.23 0.00 0.00 60.65 56.63 1pfn s ILE 42 Cb -0.15 -2.97 -0.02 0.00 -1.58 0.00 0.00 42.46 37.75 1pfn s ILE 42 CO 0.01 -0.06 0.37 0.00 -1.23 0.00 0.00 174.94 174.03 1pfn s ALA 43 N -2.55 1.48 -0.08 9.38 0.00 -0.87 -0.32 121.76 128.81 1pfn s ALA 43 Ca 0.40 -1.89 -0.07 0.00 0.00 0.00 0.00 51.96 50.40 1pfn s ALA 43 Cb 0.02 1.35 0.02 0.00 0.00 0.00 0.00 23.12 24.51 1pfn s ALA 43 CO 0.22 -0.72 0.20 0.99 0.00 0.00 0.00 175.76 176.45 1pfn s THR 44 N -3.19 -0.00 0.00 0.00 2.01 0.24 -3.11 115.64 111.59 1pfn s THR 44 Ca 0.37 0.01 0.00 0.00 0.31 0.00 0.00 61.69 62.38 1pfn s THR 44 Cb 0.01 -0.29 0.00 0.00 0.01 0.00 0.00 72.50 72.23 1pfn s THR 44 CO 0.26 0.00 0.00 0.18 -0.69 0.00 0.00 174.62 174.37 1pfn n LEU 45 N 3.05 0.00 -0.06 4.42 7.99 -1.05 -2.22 117.00 129.13 1pfn n LEU 45 Ca -0.13 0.00 -0.16 0.00 -0.01 0.00 0.00 56.01 55.71 1pfn n LEU 45 Cb 0.58 0.00 -0.05 0.00 -0.11 0.00 0.00 43.42 43.84 1pfn n LEU 45 CO 0.19 -0.32 0.39 0.11 -1.51 0.00 0.00 177.39 176.26 1pfn h LYS 46 N 0.00 0.84 -5.80 3.23 1.79 -1.70 -3.32 116.57 111.62 1pfn h LYS 46 Ca 0.00 -0.57 -0.61 0.00 -2.18 0.00 0.00 60.65 57.28 1pfn h LYS 46 Cb 0.00 0.08 -0.12 0.00 -1.58 0.00 0.00 32.23 30.61 1pfn h LYS 46 CO 0.00 1.20 1.11 -0.80 -1.08 0.00 0.00 179.45 179.88 1pfn s ASN 47 N -6.96 6.41 -0.06 0.86 0.02 -1.26 -4.83 114.94 109.12 1pfn s ASN 47 Ca -0.11 -1.32 -0.01 0.00 -1.02 0.00 0.00 52.86 50.40 1pfn s ASN 47 Cb 0.09 -2.50 -0.02 0.00 0.02 0.00 0.00 41.25 38.84 1pfn s ASN 47 CO 0.89 -1.46 0.67 0.61 0.02 0.00 0.00 177.10 177.83 1pfn n GLY 48 N 6.02 -0.03 3.29 0.66 0.00 -1.25 -4.76 105.19 109.13 1pfn n GLY 48 Ca 0.19 -0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.04 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 3.13 1.55 -0.10 1.61 1.70 -1.26 -4.97 118.95 120.61 1pfn s ARG 49 Ca 0.08 -1.88 -0.04 0.00 -0.47 0.00 0.00 55.73 53.42 1pfn s ARG 49 Cb -0.05 0.11 0.05 0.00 -0.57 0.00 0.00 34.95 34.49 1pfn s ARG 49 CO 0.03 -0.49 0.20 0.15 -1.08 0.00 0.00 175.30 174.11 1pfn s LYS 50 N -3.79 0.10 0.00 3.89 3.01 -1.26 -2.51 119.74 119.18 1pfn s LYS 50 Ca 0.38 0.59 0.00 0.00 -1.01 0.00 0.00 55.97 55.93 1pfn s LYS 50 Cb 0.05 -0.16 0.00 0.00 -1.01 0.00 0.00 37.83 36.71 1pfn s LYS 50 CO 0.19 -0.26 0.00 0.44 0.51 0.00 0.00 175.35 176.23 1pfn n ILE 51 N 5.02 0.00 -3.63 2.17 -6.64 -1.18 -4.84 119.36 110.26 1pfn n ILE 51 Ca -0.11 0.00 -0.06 0.00 -1.77 0.00 0.00 62.75 60.80 1pfn n ILE 51 Cb 0.50 0.00 -0.06 0.00 -1.44 0.00 0.00 39.64 38.64 1pfn n ILE 51 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1pfn n LEU 53 N 1.51 0.00 0.00 0.00 4.77 -0.92 -1.31 117.00 121.05 1pfn n LEU 53 Ca -0.10 -0.80 -0.11 0.00 -0.03 0.00 0.00 56.01 54.98 1pfn n LEU 53 Cb 0.57 0.22 0.01 0.00 -2.33 0.00 0.00 43.42 41.89 1pfn n LEU 53 CO 0.05 -0.12 0.06 -0.67 -1.33 0.00 0.00 177.39 175.38 1pfn n ASP 54 N -1.73 1.55 0.00 -1.43 -0.08 -1.26 -3.89 116.55 109.72 1pfn n ASP 54 Ca -0.02 -1.78 0.00 0.00 -1.51 0.00 0.00 54.79 51.47 1pfn n ASP 54 Cb 0.16 -0.06 0.00 0.00 2.34 0.00 0.00 41.12 43.56 1pfn n ASP 54 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 1pfn n LEU 55 N 0.00 0.00 -2.44 -2.67 7.94 -1.26 -4.67 117.00 113.90 1pfn n LEU 55 Ca 0.01 -0.06 -0.36 0.00 -1.11 0.00 0.00 56.01 54.49 1pfn n LEU 55 Cb 0.27 0.00 0.07 0.00 0.53 0.00 0.00 43.42 44.29 1pfn n LEU 55 CO 0.16 0.00 1.46 1.67 -1.11 0.00 0.00 177.39 179.58 1pfn n GLN 56 N -1.41 2.71 -3.86 1.96 0.00 -1.26 -4.93 117.38 110.59 1pfn n GLN 56 Ca 0.00 -3.34 -0.10 0.00 -0.00 0.00 0.00 57.00 53.56 1pfn n GLN 56 Cb 0.00 -2.29 -0.09 0.00 0.00 0.00 0.00 30.24 27.87 1pfn n GLN 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1pfn s ALA 57 N -3.87 -0.31 -1.88 1.69 0.00 -1.26 -5.02 121.76 111.11 1pfn s ALA 57 Ca 0.62 -0.32 0.29 0.00 0.00 0.00 0.00 51.96 52.55 1pfn s ALA 57 Cb 0.50 0.27 1.67 0.00 0.00 0.00 0.00 23.12 25.56 1pfn s ALA 57 CO -0.09 -0.35 2.05 -0.35 0.00 0.00 0.00 175.76 177.03 1pfn n PRO 58 N 0.72 0.80 0.14 0.00 -0.04 -1.26 -3.74 135.00 131.62 1pfn n PRO 58 Ca -0.19 0.01 -0.11 0.00 -0.04 0.00 0.00 63.50 63.17 1pfn n PRO 58 Cb 0.59 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.48 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 -0.35 -1.51 1.53 5.85 -1.95 -2.83 115.31 116.05 1pfn h LEU 59 Ca 0.00 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.54 1pfn h LEU 59 Cb 0.06 0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.18 1pfn h LEU 59 CO 0.00 0.10 -0.02 0.10 -0.34 0.00 0.00 178.44 178.28 1pfn h TYR 60 N -0.95 0.00 0.00 1.25 -0.00 -1.83 -1.69 116.97 113.75 1pfn h TYR 60 Ca -0.04 0.00 -0.02 0.00 -0.00 0.00 0.00 58.73 58.67 1pfn h TYR 60 Cb 0.51 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 37.23 1pfn h TYR 60 CO 0.04 0.02 -0.10 0.87 -0.00 0.00 0.00 178.16 178.99 1pfn h LYS 61 N 0.00 0.00 0.00 0.10 1.57 -1.62 0.45 116.57 117.06 1pfn h LYS 61 Ca -0.00 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.65 1pfn h LYS 61 Cb 0.51 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.80 1pfn h LYS 61 CO 0.00 0.10 -0.64 0.87 -0.57 0.00 0.00 179.45 179.21 1pfn h LYS 62 N 0.00 0.00 0.42 3.15 1.57 -1.05 -1.23 116.57 119.43 1pfn h LYS 62 Ca -0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1pfn h LYS 62 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.74 1pfn h LYS 62 CO 0.01 0.64 -0.20 0.82 -0.57 0.00 0.00 179.45 180.15 1pfn h ILE 63 N 0.00 0.00 -0.99 1.86 2.04 -0.97 -0.67 117.51 118.78 1pfn h ILE 63 Ca -0.01 -0.58 0.07 0.00 1.00 0.00 0.00 64.86 65.34 1pfn h ILE 63 Cb 1.33 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 37.34 1pfn h ILE 63 CO 0.08 0.00 0.64 0.40 0.00 0.00 0.00 178.15 179.27 1pfn h ILE 64 N -1.15 1.07 -0.21 -0.67 2.04 -1.38 0.16 117.51 117.37 1pfn h ILE 64 Ca -0.06 -0.39 -0.06 0.00 1.00 0.00 0.00 64.86 65.35 1pfn h ILE 64 Cb 0.43 -0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.33 1pfn h ILE 64 CO 0.10 0.21 -0.12 0.11 0.00 0.00 0.00 178.15 178.44 1pfn h LYS 65 N 1.14 0.34 0.00 2.37 1.57 -1.26 -0.17 116.57 120.56 1pfn h LYS 65 Ca 0.44 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 59.12 1pfn h LYS 65 Cb 0.21 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.47 1pfn h LYS 65 CO -0.18 0.47 -0.07 0.87 -0.57 0.00 0.00 179.45 179.97 1pfn h LYS 66 N 0.32 0.00 0.00 3.15 1.57 0.87 -2.18 116.57 120.30 1pfn h LYS 66 Ca 0.06 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.80 1pfn h LYS 66 Cb 0.41 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 1pfn h LYS 66 CO 0.02 0.07 -1.01 -0.07 -0.57 0.00 0.00 179.45 177.89 1pfn h LEU 67 N 0.00 0.00 0.21 2.94 3.38 0.38 -3.36 115.31 118.87 1pfn h LEU 67 Ca -0.00 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.63 1pfn h LEU 67 Cb 0.72 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.49 1pfn h LEU 67 CO 0.01 0.15 -1.59 -0.07 0.09 0.00 0.00 178.44 177.03 1pfn h LEU 68 N 0.00 0.70 -1.72 1.67 3.38 -0.79 -3.28 115.31 115.25 1pfn h LEU 68 Ca -0.04 -0.87 0.29 0.00 0.09 0.00 0.00 57.88 57.35 1pfn h LEU 68 Cb 1.15 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.63 1pfn h LEU 68 CO 0.01 1.71 0.90 1.05 0.09 0.00 0.00 178.44 182.20 1pfn h GLU 69 N 0.12 0.00 -0.01 1.13 4.11 -1.54 -3.51 114.58 114.88 1pfn h GLU 69 Ca -0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.14 1pfn h GLU 69 Cb 2.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.37 1pfn h GLU 69 CO 0.22 0.00 0.00 0.45 0.07 0.00 0.00 179.01 179.75