#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 2.30 0.05 6.12 1.04 -1.26 -5.12 113.70 116.82 1pfn s SER 4 Ca 0.00 -0.48 -0.21 0.00 0.48 0.00 0.00 55.95 55.74 1pfn s SER 4 Cb 0.00 -0.20 -0.06 0.00 0.10 0.00 0.00 66.02 65.86 1pfn s SER 4 CO 0.00 0.15 0.61 0.00 0.98 0.00 0.00 173.24 174.98 1pfn s ALA 5 N -0.74 3.52 0.00 5.32 0.00 -1.26 -4.77 121.76 123.83 1pfn s ALA 5 Ca 0.06 0.08 0.00 0.00 0.00 0.00 0.00 51.96 52.10 1pfn s ALA 5 Cb -0.08 -2.73 0.00 0.00 0.00 0.00 0.00 23.12 20.31 1pfn s ALA 5 CO 0.01 0.28 0.00 1.17 0.00 0.00 0.00 175.76 177.22 1pfn n LYS 6 N 2.17 0.00 0.00 0.00 3.00 -1.26 -5.05 118.16 117.02 1pfn n LYS 6 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.23 1pfn n LYS 6 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.54 1pfn n LYS 6 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1pfn n GLU 7 N 0.00 0.00 0.00 1.64 -0.58 -1.26 -4.95 120.64 115.49 1pfn n GLU 7 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1pfn n GLU 7 Cb 0.00 -0.54 0.00 0.00 -0.57 0.00 0.00 31.44 30.33 1pfn n GLU 7 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1pfn n LEU 8 N -0.34 0.00 -3.54 -4.62 7.99 -1.26 -4.35 117.00 110.88 1pfn n LEU 8 Ca 0.00 0.00 -0.27 0.00 -0.01 0.00 0.00 56.01 55.73 1pfn n LEU 8 Cb 0.00 0.00 -0.09 0.00 -0.11 0.00 0.00 43.42 43.22 1pfn n LEU 8 CO 0.00 -0.78 -0.01 -1.14 -1.51 0.00 0.00 177.39 173.95 1pfn n ARG 9 N -0.78 2.03 -2.72 3.23 0.63 0.08 -4.98 116.66 114.14 1pfn n ARG 9 Ca 0.00 -4.40 -0.30 0.00 -0.92 0.00 0.00 57.85 52.23 1pfn n ARG 9 Cb 0.00 -2.14 -0.03 0.00 0.45 0.00 0.00 32.46 30.75 1pfn n ARG 9 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1pfn h GLN 11 N 1.00 0.44 -3.26 0.00 5.75 -1.99 -3.38 115.11 113.68 1pfn h GLN 11 Ca -0.47 -0.35 -0.63 0.00 -0.15 0.00 0.00 58.65 57.04 1pfn h GLN 11 Cb 1.19 0.07 -0.41 0.00 1.07 0.00 0.00 27.48 29.40 1pfn h GLN 11 CO 0.63 0.99 -0.62 0.00 -2.65 0.00 0.00 178.83 177.18 1pfn h VAL 13 N 5.15 0.94 -2.01 0.00 2.07 -2.00 -3.42 116.25 116.97 1pfn h VAL 13 Ca -0.01 -0.33 -0.60 0.00 0.82 0.00 0.00 66.70 66.59 1pfn h VAL 13 Cb 0.85 -0.11 -0.13 0.00 -1.52 0.00 0.00 31.29 30.38 1pfn h VAL 13 CO 0.68 0.18 -0.65 -0.54 0.02 0.00 0.00 177.57 177.26 1pfn s LYS 14 N -5.91 1.81 0.02 1.57 1.02 -1.26 -5.11 119.74 111.88 1pfn s LYS 14 Ca -0.12 -1.96 -0.25 0.00 0.02 0.00 0.00 55.97 53.66 1pfn s LYS 14 Cb 0.22 -1.56 -0.05 0.00 -0.52 0.00 0.00 37.83 35.92 1pfn s LYS 14 CO 0.80 0.05 0.77 0.99 -0.92 0.00 0.00 175.35 177.05 1pfn s THR 15 N -2.73 4.82 -0.81 2.17 2.01 -1.26 -4.95 115.64 114.89 1pfn s THR 15 Ca 0.33 1.62 -0.04 0.00 0.31 0.00 0.00 61.69 63.91 1pfn s THR 15 Cb 0.05 -4.11 0.09 0.00 0.01 0.00 0.00 72.50 68.54 1pfn s THR 15 CO 0.16 0.32 2.59 0.41 -0.69 0.00 0.00 174.62 177.42 1pfn n THR 16 N 3.12 4.15 0.72 -0.82 -1.04 0.26 -4.59 114.28 116.08 1pfn n THR 16 Ca -0.01 -3.60 0.09 0.00 -2.04 0.00 0.00 64.05 58.48 1pfn n THR 16 Cb 0.51 -1.77 0.42 0.00 -1.82 0.00 0.00 70.33 67.66 1pfn n THR 16 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1pfn n SER 17 N 1.16 0.00 0.20 8.00 7.64 -1.25 -3.19 113.62 126.19 1pfn n SER 17 Ca 0.54 0.31 0.18 0.00 1.01 0.00 0.00 58.87 60.91 1pfn n SER 17 Cb 0.42 -0.41 0.79 0.00 -1.01 0.00 0.00 64.21 63.99 1pfn n SER 17 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 1pfn h GLN 18 N 0.00 0.00 -6.60 1.43 4.20 -1.91 -3.40 115.11 108.84 1pfn h GLN 18 Ca 0.00 0.00 -0.51 0.00 0.06 0.00 0.00 58.65 58.20 1pfn h GLN 18 Cb 0.25 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.00 1pfn h GLN 18 CO 0.00 0.00 0.09 0.08 -0.67 0.00 0.00 178.83 178.33 1pfn s VAL 19 N -4.40 4.62 -0.06 -0.54 1.01 -1.19 -5.06 120.40 114.77 1pfn s VAL 19 Ca -0.04 1.15 -0.06 0.00 0.00 0.00 0.00 61.98 63.03 1pfn s VAL 19 Cb 0.13 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 1pfn s VAL 19 CO 0.43 0.10 0.18 -0.13 0.00 0.00 0.00 175.10 175.68 1pfn s ARG 20 N -2.27 3.48 -0.11 2.72 0.52 -1.26 -5.06 118.95 116.97 1pfn s ARG 20 Ca 0.46 -0.16 -0.30 0.00 -0.52 0.00 0.00 55.73 55.22 1pfn s ARG 20 Cb -0.15 -3.15 -0.01 0.00 0.52 0.00 0.00 34.95 32.16 1pfn s ARG 20 CO 0.20 0.73 1.03 -1.25 0.02 0.00 0.00 175.30 176.02 1pfn s PRO 21 N -1.41 4.40 0.00 3.54 0.04 -1.26 -4.70 135.00 135.62 1pfn s PRO 21 Ca 0.21 1.41 0.00 0.00 0.04 0.00 0.00 61.00 62.66 1pfn s PRO 21 Cb -0.13 -3.55 0.00 0.00 0.04 0.00 0.00 34.50 30.86 1pfn s PRO 21 CO 0.11 -0.35 0.00 0.54 0.04 0.00 0.00 177.00 177.33 1pfn n ARG 22 N 5.13 0.00 -1.42 4.56 1.74 -1.26 -4.96 116.66 120.45 1pfn n ARG 22 Ca 0.09 0.00 -0.25 0.00 -0.77 0.00 0.00 57.85 56.92 1pfn n ARG 22 Cb 0.48 0.00 -0.08 0.00 -1.02 0.00 0.00 32.46 31.85 1pfn n ARG 22 CO 0.00 0.00 0.00 -2.39 -1.52 0.00 0.00 177.63 173.72 1pfn n HIS 23 N -0.63 1.35 -1.91 -1.55 1.44 -1.26 -4.93 115.22 107.72 1pfn n HIS 23 Ca 0.00 -1.92 -0.26 0.00 -2.01 0.00 0.00 57.72 53.53 1pfn n HIS 23 Cb 0.00 -1.46 0.18 0.00 0.12 0.00 0.00 29.99 28.83 1pfn n HIS 23 CO 0.00 0.00 0.00 1.51 -2.81 0.00 0.00 176.34 175.04 1pfn n ILE 24 N 1.27 0.00 0.00 0.61 3.06 -1.26 -2.20 119.36 120.84 1pfn n ILE 24 Ca 0.49 -0.95 0.00 0.00 -2.50 0.00 0.00 62.75 59.79 1pfn n ILE 24 Cb 0.60 -1.49 0.00 0.00 0.54 0.00 0.00 39.64 39.29 1pfn n ILE 24 CO 0.00 0.00 0.00 1.07 -2.50 0.00 0.00 176.55 175.12 1pfn n THR 25 N -3.59 0.00 -3.56 9.51 5.66 -0.89 -4.44 114.28 116.96 1pfn n THR 25 Ca 0.15 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 61.08 1pfn n THR 25 Cb 0.53 -0.41 -0.03 0.00 -1.55 0.00 0.00 70.33 68.86 1pfn n THR 25 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1pfn s SER 26 N -4.31 -0.29 -0.08 1.09 1.04 -1.16 -5.04 113.70 104.97 1pfn s SER 26 Ca 0.00 0.15 -0.09 0.00 0.48 0.00 0.00 55.95 56.48 1pfn s SER 26 Cb 0.00 0.27 0.02 0.00 0.10 0.00 0.00 66.02 66.41 1pfn s SER 26 CO 0.00 -0.38 0.25 -1.48 0.98 0.00 0.00 173.24 172.61 1pfn s LEU 27 N -1.79 1.06 0.31 2.42 0.05 -1.26 0.71 118.68 120.18 1pfn s LEU 27 Ca 0.04 0.39 0.02 0.00 0.05 0.00 0.00 54.13 54.62 1pfn s LEU 27 Cb -0.01 0.90 -0.03 0.00 -2.05 0.00 0.00 46.19 45.00 1pfn s LEU 27 CO -0.04 -0.16 0.49 -1.83 -0.55 0.00 0.00 176.35 174.26 1pfn s GLU 28 N -0.21 3.47 -0.15 1.48 -1.05 0.37 -4.93 118.70 117.69 1pfn s GLU 28 Ca -0.03 -0.45 -0.03 0.00 -0.15 0.00 0.00 54.97 54.30 1pfn s GLU 28 Cb -0.03 -2.73 0.05 0.00 -0.44 0.00 0.00 34.13 30.98 1pfn s GLU 28 CO 0.01 0.24 0.06 0.54 0.95 0.00 0.00 175.26 177.05 1pfn s VAL 29 N -2.21 0.18 0.03 1.83 0.11 -1.26 -1.27 120.40 117.80 1pfn s VAL 29 Ca 0.38 -0.18 0.03 0.00 -2.93 0.00 0.00 61.98 59.28 1pfn s VAL 29 Cb -0.09 -0.67 -0.04 0.00 -1.53 0.00 0.00 36.38 34.05 1pfn s VAL 29 CO 0.34 -0.13 -0.02 -0.51 -3.33 0.00 0.00 175.10 171.45 1pfn s ILE 30 N 2.03 3.95 0.61 7.04 -1.16 -0.27 -4.98 121.20 128.43 1pfn s ILE 30 Ca 0.02 -0.78 -0.10 0.00 -0.51 0.00 0.00 60.65 59.27 1pfn s ILE 30 Cb -0.15 -2.79 0.14 0.00 0.61 0.00 0.00 42.46 40.27 1pfn s ILE 30 CO -0.07 0.30 0.82 1.17 -2.81 0.00 0.00 174.94 174.34 1pfn n LYS 31 N 1.18 -0.88 -2.48 3.50 4.81 -1.26 -1.87 118.16 121.17 1pfn n LYS 31 Ca -0.14 -1.26 -0.39 0.00 -0.87 0.00 0.00 58.31 55.65 1pfn n LYS 31 Cb 0.52 -0.86 -0.03 0.00 0.02 0.00 0.00 35.03 34.69 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 -3.94 2.59 1.00 3.14 0.00 -1.25 -4.17 121.76 119.13 1pfn s ALA 32 Ca 0.47 -1.84 0.00 0.00 0.00 0.00 0.00 51.96 50.59 1pfn s ALA 32 Cb -0.01 -4.44 0.00 0.00 0.00 0.00 0.00 23.12 18.66 1pfn s ALA 32 CO 0.33 -3.66 0.00 0.41 0.00 0.00 0.00 175.76 172.84 1pfn n GLY 33 N 6.38 -0.41 0.03 0.00 0.00 0.45 -4.59 105.19 107.05 1pfn n GLY 33 Ca 0.24 -1.45 -0.00 0.00 0.00 0.00 0.00 46.02 44.81 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 0.00 1.61 0.13 -1.96 -2.72 132.00 129.04 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 -0.01 0.00 -2.39 -0.23 0.00 0.00 178.00 175.37 1pfn n HIS 35 N -3.18 0.59 -3.53 1.56 1.44 -1.26 -3.25 115.22 107.59 1pfn n HIS 35 Ca -0.00 0.27 -0.27 0.00 -2.01 0.00 0.00 57.72 55.71 1pfn n HIS 35 Cb 0.01 -0.94 -0.10 0.00 0.12 0.00 0.00 29.99 29.08 1pfn n HIS 35 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1pfn n PRO 37 N 2.19 0.11 -3.33 0.00 -0.04 -1.03 0.17 135.00 133.07 1pfn n PRO 37 Ca 0.26 0.34 -0.27 0.00 -0.04 0.00 0.00 63.50 63.79 1pfn n PRO 37 Cb 0.44 -1.70 -0.02 0.00 -0.04 0.00 0.00 33.50 32.17 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 -3.17 5.05 0.13 0.52 -1.32 -1.26 -4.63 115.64 110.95 1pfn s THR 38 Ca 0.06 -0.09 -0.31 0.00 -1.21 0.00 0.00 61.69 60.14 1pfn s THR 38 Cb 0.09 -3.77 -0.09 0.00 -1.51 0.00 0.00 72.50 67.22 1pfn s THR 38 CO 0.33 -0.40 1.53 0.00 -2.21 0.00 0.00 174.62 173.88 1pfn s ALA 39 N -2.16 3.71 0.18 11.08 0.00 -1.26 -3.75 121.76 129.55 1pfn s ALA 39 Ca 0.43 1.26 0.11 0.00 0.00 0.00 0.00 51.96 53.75 1pfn s ALA 39 Cb -0.10 -3.61 -0.04 0.00 0.00 0.00 0.00 23.12 19.36 1pfn s ALA 39 CO 0.32 -0.80 -0.23 -1.14 0.00 0.00 0.00 175.76 173.91 1pfn s GLN 40 N 1.46 1.44 -0.19 0.00 0.74 -0.78 -4.71 119.66 117.62 1pfn s GLN 40 Ca 0.69 -1.47 -0.12 0.00 0.05 0.00 0.00 55.36 54.51 1pfn s GLN 40 Cb -0.41 -1.72 0.06 0.00 1.10 0.00 0.00 33.01 32.04 1pfn s GLN 40 CO 0.31 0.37 0.46 -1.17 -0.55 0.00 0.00 175.29 174.72 1pfn s LEU 41 N -2.59 -0.16 0.34 3.68 2.96 -1.26 -1.11 118.68 120.54 1pfn s LEU 41 Ca 0.19 1.00 0.09 0.00 -0.22 0.00 0.00 54.13 55.18 1pfn s LEU 41 Cb -0.08 1.56 -0.05 0.00 0.50 0.00 0.00 46.19 48.12 1pfn s LEU 41 CO 0.09 -0.19 0.04 -0.63 -1.32 0.00 0.00 176.35 174.34 1pfn s ILE 42 N 1.21 2.73 0.30 6.68 -1.09 -0.40 -2.31 121.20 128.32 1pfn s ILE 42 Ca -0.08 -1.90 0.07 0.00 -2.23 0.00 0.00 60.65 56.51 1pfn s ILE 42 Cb -0.07 -2.84 -0.03 0.00 -1.58 0.00 0.00 42.46 37.94 1pfn s ILE 42 CO -0.11 -0.20 0.26 0.00 -1.23 0.00 0.00 174.94 173.67 1pfn n ALA 43 N -1.00 0.62 -3.12 9.38 0.00 -0.95 -0.48 120.51 124.97 1pfn n ALA 43 Ca -0.04 -1.76 -0.13 0.00 0.00 0.00 0.00 53.44 51.51 1pfn n ALA 43 Cb 0.62 1.43 -0.12 0.00 0.00 0.00 0.00 19.45 21.38 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 -3.22 -0.00 0.01 0.00 2.01 0.22 -3.10 115.64 111.56 1pfn s THR 44 Ca 0.36 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.37 1pfn s THR 44 Cb 0.02 -0.31 0.00 0.00 0.01 0.00 0.00 72.50 72.22 1pfn s THR 44 CO 0.25 0.00 0.01 0.18 -0.69 0.00 0.00 174.62 174.37 1pfn n LEU 45 N 3.00 0.00 -0.05 4.42 4.77 -1.01 -2.10 117.00 126.02 1pfn n LEU 45 Ca -0.13 -0.04 -0.16 0.00 -0.03 0.00 0.00 56.01 55.66 1pfn n LEU 45 Cb 0.58 -0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.61 1pfn n LEU 45 CO 0.19 -0.37 0.40 0.11 -1.33 0.00 0.00 177.39 176.39 1pfn h LYS 46 N 0.00 0.70 -6.17 3.23 1.79 -1.66 -3.31 116.57 111.15 1pfn h LYS 46 Ca -0.00 -0.49 -0.58 0.00 -2.18 0.00 0.00 60.65 57.39 1pfn h LYS 46 Cb 0.02 0.08 -0.09 0.00 -1.58 0.00 0.00 32.23 30.65 1pfn h LYS 46 CO 0.01 1.12 1.38 -0.80 -1.08 0.00 0.00 179.45 180.07 1pfn s ASN 47 N -6.80 6.41 -0.07 0.86 0.01 -1.26 -4.80 114.94 109.28 1pfn s ASN 47 Ca -0.12 -1.18 -0.01 0.00 -0.71 0.00 0.00 52.86 50.84 1pfn s ASN 47 Cb 0.08 -2.57 -0.02 0.00 0.41 0.00 0.00 41.25 39.15 1pfn s ASN 47 CO 0.86 -1.60 0.67 0.61 -1.51 0.00 0.00 177.10 176.13 1pfn n GLY 48 N 6.49 -0.03 3.33 0.66 0.00 -1.25 -4.76 105.19 109.62 1pfn n GLY 48 Ca 0.25 -0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.09 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 3.11 1.58 -0.11 1.61 1.70 -1.26 -4.96 118.95 120.62 1pfn s ARG 49 Ca 0.09 -1.90 -0.04 0.00 -0.47 0.00 0.00 55.73 53.41 1pfn s ARG 49 Cb -0.06 -0.06 0.05 0.00 -0.57 0.00 0.00 34.95 34.31 1pfn s ARG 49 CO 0.04 -0.45 0.22 0.15 -1.08 0.00 0.00 175.30 174.18 1pfn s LYS 50 N -3.82 0.13 0.00 3.89 3.01 -1.26 -2.41 119.74 119.28 1pfn s LYS 50 Ca 0.36 0.61 0.00 0.00 -1.01 0.00 0.00 55.97 55.93 1pfn s LYS 50 Cb 0.05 -0.13 0.00 0.00 -1.01 0.00 0.00 37.83 36.74 1pfn s LYS 50 CO 0.18 -0.24 0.00 0.44 0.51 0.00 0.00 175.35 176.23 1pfn n ILE 51 N 4.91 0.00 -3.62 2.17 -6.64 -1.18 -4.86 119.36 110.14 1pfn n ILE 51 Ca -0.13 0.00 -0.04 0.00 -1.77 0.00 0.00 62.75 60.81 1pfn n ILE 51 Cb 0.51 0.00 -0.04 0.00 -1.44 0.00 0.00 39.64 38.67 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 0.53 0.00 -4.91 0.00 4.77 -0.98 -0.57 117.00 115.85 1pfn n LEU 53 Ca -0.02 -2.91 -0.25 0.00 -0.03 0.00 0.00 56.01 52.79 1pfn n LEU 53 Cb 0.59 1.06 -0.04 0.00 -2.33 0.00 0.00 43.42 42.70 1pfn n LEU 53 CO 0.09 -0.46 -0.12 1.51 -1.33 0.00 0.00 177.39 177.08 1pfn s ASP 54 N -3.31 6.10 -0.04 -1.43 1.47 -1.26 -4.02 116.67 114.18 1pfn s ASP 54 Ca 0.22 0.07 0.21 0.00 1.18 0.00 0.00 52.55 54.23 1pfn s ASP 54 Cb 0.01 -1.77 -0.27 0.00 -0.34 0.00 0.00 42.92 40.55 1pfn s ASP 54 CO 0.16 0.04 0.46 0.18 0.68 0.00 0.00 175.17 176.69 1pfn n LEU 55 N -0.62 0.15 -2.32 2.11 4.32 -1.26 -4.37 117.00 115.00 1pfn n LEU 55 Ca -0.08 0.06 -0.23 0.00 -0.02 0.00 0.00 56.01 55.75 1pfn n LEU 55 Cb 0.55 0.11 -0.07 0.00 -1.62 0.00 0.00 43.42 42.39 1pfn n LEU 55 CO 0.47 0.11 1.54 1.67 -1.22 0.00 0.00 177.39 179.96 1pfn n GLN 56 N -2.46 2.24 -3.48 3.23 -0.06 -1.26 -4.86 117.38 110.73 1pfn n GLN 56 Ca -0.11 -1.97 -0.13 0.00 -2.00 0.00 0.00 57.00 52.79 1pfn n GLN 56 Cb 0.72 -2.04 -0.03 0.00 -4.06 0.00 0.00 30.24 24.83 1pfn n GLN 56 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1pfn s ALA 57 N -1.18 -1.53 -1.78 1.69 0.00 -1.26 -5.02 121.76 112.67 1pfn s ALA 57 Ca 0.57 0.60 0.30 0.00 0.00 0.00 0.00 51.96 53.42 1pfn s ALA 57 Cb 0.35 0.65 1.66 0.00 0.00 0.00 0.00 23.12 25.78 1pfn s ALA 57 CO -0.15 -0.65 2.08 -0.35 0.00 0.00 0.00 175.76 176.68 1pfn n PRO 58 N -0.03 0.74 0.21 0.00 -0.04 -1.26 -3.88 135.00 130.74 1pfn n PRO 58 Ca -0.17 0.01 -0.15 0.00 -0.04 0.00 0.00 63.50 63.15 1pfn n PRO 58 Cb 0.63 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.51 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 -0.45 -1.52 1.53 5.85 -1.95 -2.28 115.31 116.49 1pfn h LEU 59 Ca 0.00 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.64 1pfn h LEU 59 Cb 0.10 0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.25 1pfn h LEU 59 CO 0.00 -0.18 0.00 0.10 -0.34 0.00 0.00 178.44 178.02 1pfn h TYR 60 N -0.71 0.00 0.00 1.25 -0.00 -1.78 -1.69 116.97 114.04 1pfn h TYR 60 Ca -0.05 0.00 -0.03 0.00 -0.00 0.00 0.00 58.73 58.64 1pfn h TYR 60 Cb 0.50 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 37.23 1pfn h TYR 60 CO -0.01 0.00 -0.17 -0.22 -0.00 0.00 0.00 178.16 177.77 1pfn h LYS 61 N 0.00 0.00 0.00 0.10 3.64 -1.57 0.07 116.57 118.82 1pfn h LYS 61 Ca 0.00 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.28 1pfn h LYS 61 Cb 0.47 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.28 1pfn h LYS 61 CO 0.00 0.17 -0.46 0.87 -2.27 0.00 0.00 179.45 177.75 1pfn h LYS 62 N 0.00 0.00 0.35 1.90 1.79 -0.79 -1.46 116.57 118.36 1pfn h LYS 62 Ca -0.00 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.45 1pfn h LYS 62 Cb 0.53 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.18 1pfn h LYS 62 CO 0.02 0.46 -0.17 0.82 -1.08 0.00 0.00 179.45 179.51 1pfn h ILE 63 N 0.00 0.00 -0.94 1.86 2.04 -1.01 -1.03 117.51 118.43 1pfn h ILE 63 Ca -0.00 -0.63 0.09 0.00 1.00 0.00 0.00 64.86 65.31 1pfn h ILE 63 Cb 1.20 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 37.21 1pfn h ILE 63 CO 0.06 0.00 0.59 0.40 0.00 0.00 0.00 178.15 179.20 1pfn h ILE 64 N -1.10 0.99 -0.44 -0.67 2.04 -1.37 0.16 117.51 117.12 1pfn h ILE 64 Ca -0.05 -0.35 -0.04 0.00 1.00 0.00 0.00 64.86 65.42 1pfn h ILE 64 Cb 0.36 -0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 36.31 1pfn h ILE 64 CO 0.08 0.18 0.10 0.11 0.00 0.00 0.00 178.15 178.62 1pfn h LYS 65 N 1.01 0.66 0.00 2.37 1.57 -1.31 0.02 116.57 120.89 1pfn h LYS 65 Ca 0.44 -0.12 -0.04 0.00 -1.87 0.00 0.00 60.65 59.05 1pfn h LYS 65 Cb 0.30 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 1pfn h LYS 65 CO -0.22 0.61 -0.20 0.87 -0.57 0.00 0.00 179.45 179.94 1pfn h LYS 66 N 0.64 0.00 0.00 3.15 1.57 0.64 -2.12 116.57 120.45 1pfn h LYS 66 Ca 0.15 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.76 1pfn h LYS 66 Cb 0.25 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 1pfn h LYS 66 CO -0.00 0.20 -0.85 -0.07 -0.57 0.00 0.00 179.45 178.16 1pfn h LEU 67 N 0.00 0.00 -0.06 2.94 3.38 0.41 -3.30 115.31 118.67 1pfn h LEU 67 Ca -0.00 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.77 1pfn h LEU 67 Cb 0.61 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.37 1pfn h LEU 67 CO 0.03 0.75 -0.73 -0.07 0.09 0.00 0.00 178.44 178.51 1pfn h LEU 68 N 0.00 0.75 -1.73 1.67 3.38 -0.61 -3.12 115.31 115.66 1pfn h LEU 68 Ca -0.03 -0.69 0.26 0.00 0.09 0.00 0.00 57.88 57.51 1pfn h LEU 68 Cb 1.60 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 42.09 1pfn h LEU 68 CO 0.09 1.33 0.84 1.05 0.09 0.00 0.00 178.44 181.85 1pfn h GLU 69 N 0.23 0.00 -0.00 1.13 -0.00 -1.48 -3.52 114.58 110.94 1pfn h GLU 69 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.29 1pfn h GLU 69 Cb 1.39 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.14 1pfn h GLU 69 CO 0.15 0.00 0.00 0.45 -0.00 0.00 0.00 179.01 179.61