#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pfn h SER 4 N 0.00 0.00 -3.64 6.12 0.02 -2.07 -3.50 113.55 110.48 1pfn h SER 4 Ca 0.00 0.00 0.27 0.00 -0.84 0.00 0.00 61.79 61.22 1pfn h SER 4 Cb 0.00 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 62.42 1pfn h SER 4 CO 0.00 0.16 -0.73 0.00 -1.14 0.00 0.00 176.83 175.12 1pfn n ALA 5 N -2.21 -2.77 0.00 3.77 0.00 -1.26 -5.06 120.51 112.98 1pfn n ALA 5 Ca -0.01 0.56 0.00 0.00 0.00 0.00 0.00 53.44 53.99 1pfn n ALA 5 Cb 0.62 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.98 1pfn n ALA 5 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1pfn n LYS 6 N -3.81 0.00 -2.37 0.00 5.02 -1.26 -5.07 118.16 110.68 1pfn n LYS 6 Ca -0.04 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.85 1pfn n LYS 6 Cb 0.50 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.48 1pfn n LYS 6 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 1pfn s GLU 7 N 0.00 3.09 0.00 1.97 -1.05 -1.26 -4.91 118.70 116.54 1pfn s GLU 7 Ca 0.00 0.22 0.00 0.00 -0.15 0.00 0.00 54.97 55.04 1pfn s GLU 7 Cb 0.00 -4.21 0.00 0.00 -0.44 0.00 0.00 34.13 29.48 1pfn s GLU 7 CO 0.00 -2.22 0.00 1.28 0.95 0.00 0.00 175.26 175.27 1pfn n LEU 8 N 10.30 0.00 -2.72 1.83 4.77 -1.26 -5.01 117.00 124.90 1pfn n LEU 8 Ca 0.11 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 56.02 1pfn n LEU 8 Cb 0.50 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.64 1pfn n LEU 8 CO 0.71 0.00 0.32 -1.14 -1.33 0.00 0.00 177.39 175.95 1pfn n ARG 9 N 0.00 0.56 -2.64 3.23 0.63 -1.17 -5.07 116.66 112.20 1pfn n ARG 9 Ca 0.00 -1.42 -0.41 0.00 -0.92 0.00 0.00 57.85 55.11 1pfn n ARG 9 Cb 0.00 -1.07 -0.05 0.00 0.45 0.00 0.00 32.46 31.80 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 4.85 0.24 -3.09 0.00 5.75 -2.00 -3.25 115.11 117.61 1pfn h GLN 11 Ca -0.44 -0.01 -0.62 0.00 -0.15 0.00 0.00 58.65 57.43 1pfn h GLN 11 Cb 1.21 -0.05 -0.40 0.00 1.07 0.00 0.00 27.48 29.30 1pfn h GLN 11 CO 0.70 0.16 -0.71 0.00 -2.65 0.00 0.00 178.83 176.33 1pfn h VAL 13 N 5.32 1.14 -2.29 0.00 3.04 -1.98 -3.43 116.25 118.06 1pfn h VAL 13 Ca -0.03 -0.26 -0.55 0.00 -1.01 0.00 0.00 66.70 64.85 1pfn h VAL 13 Cb 0.92 0.34 -0.14 0.00 -2.01 0.00 0.00 31.29 30.41 1pfn h VAL 13 CO 0.53 0.14 -0.66 -0.54 -1.01 0.00 0.00 177.57 176.02 1pfn s LYS 14 N -5.63 1.71 0.03 4.17 1.02 -1.26 -5.12 119.74 114.66 1pfn s LYS 14 Ca -0.09 -1.90 -0.25 0.00 0.02 0.00 0.00 55.97 53.75 1pfn s LYS 14 Cb 0.18 -1.38 -0.05 0.00 -0.52 0.00 0.00 37.83 36.06 1pfn s LYS 14 CO 0.75 0.04 0.78 0.99 -0.92 0.00 0.00 175.35 176.99 1pfn s THR 15 N -2.86 4.79 -0.80 2.17 2.01 -1.26 -4.95 115.64 114.73 1pfn s THR 15 Ca 0.32 1.64 -0.04 0.00 0.31 0.00 0.00 61.69 63.92 1pfn s THR 15 Cb 0.05 -4.12 0.10 0.00 0.01 0.00 0.00 72.50 68.53 1pfn s THR 15 CO 0.15 0.33 2.59 0.41 -0.69 0.00 0.00 174.62 177.40 1pfn n THR 16 N 3.05 4.13 0.69 -0.82 -1.04 0.05 -4.59 114.28 115.73 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 0.50 -1.76 0.40 0.00 -1.82 0.00 0.00 70.33 67.65 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 1.13 0.00 0.25 8.00 2.88 -1.25 -3.13 113.62 121.51 1pfn n SER 17 Ca 0.54 0.34 0.18 0.00 -1.33 0.00 0.00 58.87 58.60 1pfn n SER 17 Cb 0.42 -0.43 0.83 0.00 -0.75 0.00 0.00 64.21 64.29 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 -6.71 -1.46 1.08 -1.90 -3.40 115.11 102.71 1pfn h GLN 18 Ca 0.00 0.00 -0.50 0.00 -1.45 0.00 0.00 58.65 56.70 1pfn h GLN 18 Cb 0.26 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.66 1pfn h GLN 18 CO 0.00 0.00 0.17 0.08 -0.95 0.00 0.00 178.83 178.13 1pfn s VAL 19 N -4.32 4.51 -0.12 -0.54 1.01 -1.18 -5.06 120.40 114.71 1pfn s VAL 19 Ca -0.04 1.32 -0.10 0.00 0.00 0.00 0.00 61.98 63.16 1pfn s VAL 19 Cb 0.12 -3.80 -0.05 0.00 0.00 0.00 0.00 36.38 32.65 1pfn s VAL 19 CO 0.40 0.04 0.20 -0.60 0.00 0.00 0.00 175.10 175.14 1pfn s ARG 20 N -2.36 3.78 -0.13 2.72 6.06 -1.26 -5.06 118.95 122.69 1pfn s ARG 20 Ca 0.49 -0.03 -0.29 0.00 -2.50 0.00 0.00 55.73 53.40 1pfn s ARG 20 Cb -0.15 -3.27 -0.01 0.00 0.06 0.00 0.00 34.95 31.58 1pfn s ARG 20 CO 0.20 0.60 1.05 -1.25 -2.50 0.00 0.00 175.30 173.40 1pfn s PRO 21 N -0.56 4.36 0.00 5.12 0.04 -1.26 -4.65 135.00 138.05 1pfn s PRO 21 Ca 0.15 1.44 0.00 0.00 0.04 0.00 0.00 61.00 62.63 1pfn s PRO 21 Cb -0.13 -3.58 0.00 0.00 0.04 0.00 0.00 34.50 30.83 1pfn s PRO 21 CO 0.04 -0.43 0.00 -2.13 0.04 0.00 0.00 177.00 174.52 1pfn n ARG 22 N 5.43 0.00 -1.54 4.56 0.63 -1.26 -4.96 116.66 119.52 1pfn n ARG 22 Ca 0.10 0.00 -0.28 0.00 -0.92 0.00 0.00 57.85 56.75 1pfn n ARG 22 Cb 0.48 0.00 -0.05 0.00 0.45 0.00 0.00 32.46 33.34 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 -1.38 1.72 -2.12 -0.14 1.44 -1.26 -4.95 115.22 108.52 1pfn n HIS 23 Ca 0.00 -1.99 -0.27 0.00 -2.01 0.00 0.00 57.72 53.45 1pfn n HIS 23 Cb 0.00 -1.37 0.11 0.00 0.12 0.00 0.00 29.99 28.85 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 -2.45 2.13 0.00 0.61 1.10 -1.26 -2.07 121.20 119.25 1pfn s ILE 24 Ca 0.58 -0.19 0.00 0.00 -0.51 0.00 0.00 60.65 60.53 1pfn s ILE 24 Cb 0.38 -2.94 0.00 0.00 0.15 0.00 0.00 42.46 40.06 1pfn s ILE 24 CO -0.24 0.00 0.00 1.07 -2.11 0.00 0.00 174.94 173.66 1pfn n THR 25 N -3.21 0.00 -3.55 4.00 5.66 -0.84 -4.54 114.28 111.80 1pfn n THR 25 Ca 0.11 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 61.03 1pfn n THR 25 Cb 0.60 -0.83 -0.03 0.00 -1.55 0.00 0.00 70.33 68.52 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 -4.58 -0.31 -0.10 1.09 1.04 -1.16 -5.04 113.70 104.63 1pfn s SER 26 Ca 0.00 0.12 -0.10 0.00 0.48 0.00 0.00 55.95 56.45 1pfn s SER 26 Cb 0.00 0.31 0.03 0.00 0.10 0.00 0.00 66.02 66.45 1pfn s SER 26 CO 0.00 -0.45 0.28 -1.48 0.98 0.00 0.00 173.24 172.57 1pfn s LEU 27 N -2.00 0.94 0.40 2.42 0.05 -1.26 0.72 118.68 119.96 1pfn s LEU 27 Ca 0.04 0.54 0.02 0.00 0.05 0.00 0.00 54.13 54.78 1pfn s LEU 27 Cb -0.01 0.96 -0.01 0.00 -2.05 0.00 0.00 46.19 45.08 1pfn s LEU 27 CO -0.05 -0.11 0.60 -1.83 -0.55 0.00 0.00 176.35 174.41 1pfn s GLU 28 N 0.11 3.17 -0.20 1.48 -1.05 0.60 -4.93 118.70 117.87 1pfn s GLU 28 Ca -0.00 -0.57 -0.04 0.00 -0.15 0.00 0.00 54.97 54.21 1pfn s GLU 28 Cb -0.02 -2.64 0.10 0.00 -0.44 0.00 0.00 34.13 31.13 1pfn s GLU 28 CO 0.00 -0.10 0.27 0.08 0.95 0.00 0.00 175.26 176.46 1pfn s VAL 29 N -2.42 -0.41 0.07 1.83 1.01 -1.26 -1.22 120.40 118.00 1pfn s VAL 29 Ca 0.46 -0.06 0.02 0.00 0.00 0.00 0.00 61.98 62.40 1pfn s VAL 29 Cb -0.10 -0.69 -0.04 0.00 0.00 0.00 0.00 36.38 35.56 1pfn s VAL 29 CO 0.36 -0.15 0.12 -0.51 0.00 0.00 0.00 175.10 174.92 1pfn s ILE 30 N 2.39 4.80 0.60 2.22 -1.16 0.22 -4.95 121.20 125.32 1pfn s ILE 30 Ca 0.08 -0.63 -0.10 0.00 -0.51 0.00 0.00 60.65 59.49 1pfn s ILE 30 Cb -0.15 -3.31 0.14 0.00 0.61 0.00 0.00 42.46 39.75 1pfn s ILE 30 CO -0.13 0.15 0.80 1.17 -2.81 0.00 0.00 174.94 174.12 1pfn n LYS 31 N 0.47 -0.83 -2.46 3.50 4.81 -1.26 -2.00 118.16 120.38 1pfn n LYS 31 Ca -0.08 -1.24 -0.39 0.00 -0.87 0.00 0.00 58.31 55.73 1pfn n LYS 31 Cb 0.51 -0.83 -0.03 0.00 0.02 0.00 0.00 35.03 34.70 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 2.54 1.00 3.14 0.00 -1.25 -4.22 121.76 119.02 1pfn s ALA 32 Ca 0.46 -1.92 0.00 0.00 0.00 0.00 0.00 51.96 50.50 1pfn s ALA 32 Cb -0.01 -4.48 0.00 0.00 0.00 0.00 0.00 23.12 18.63 1pfn s ALA 32 CO 0.32 -3.75 0.00 0.41 0.00 0.00 0.00 175.76 172.74 1pfn n GLY 33 N 6.56 -1.48 0.05 0.00 0.00 0.50 -4.56 105.19 106.26 1pfn n GLY 33 Ca 0.28 -1.47 -0.01 0.00 0.00 0.00 0.00 46.02 44.82 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 -0.07 -0.11 1.61 0.13 -1.96 -2.14 132.00 129.47 1pfn h PRO 34 Ca 0.00 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 65.17 1pfn h PRO 34 Cb 0.00 0.02 -0.00 0.00 0.13 0.00 0.00 31.00 31.14 1pfn h PRO 34 CO 0.00 -0.05 0.15 1.12 -0.23 0.00 0.00 178.00 178.99 1pfn h HIS 35 N -0.51 0.00 -2.63 1.56 2.07 -1.95 -3.09 115.15 110.60 1pfn h HIS 35 Ca -0.01 0.00 -0.60 0.00 -2.85 0.00 0.00 60.37 56.91 1pfn h HIS 35 Cb 0.06 0.00 -0.41 0.00 2.57 0.00 0.00 27.41 29.63 1pfn h HIS 35 CO 0.01 0.00 -0.74 0.00 -3.07 0.00 0.00 177.93 174.13 1pfn n PRO 37 N 1.97 0.05 -3.37 0.00 -0.04 -0.80 0.19 135.00 132.99 1pfn n PRO 37 Ca 0.24 0.29 -0.28 0.00 -0.04 0.00 0.00 63.50 63.71 1pfn n PRO 37 Cb 0.41 -1.59 -0.03 0.00 -0.04 0.00 0.00 33.50 32.26 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 -3.07 5.05 0.17 0.52 -1.32 -1.26 -4.63 115.64 111.09 1pfn s THR 38 Ca 0.06 -0.03 -0.31 0.00 -1.21 0.00 0.00 61.69 60.21 1pfn s THR 38 Cb 0.10 -3.75 -0.10 0.00 -1.51 0.00 0.00 72.50 67.24 1pfn s THR 38 CO 0.30 -0.33 1.51 0.00 -2.21 0.00 0.00 174.62 173.88 1pfn s ALA 39 N -2.09 3.71 0.13 11.08 0.00 -1.26 -3.75 121.76 129.57 1pfn s ALA 39 Ca 0.43 1.31 0.06 0.00 0.00 0.00 0.00 51.96 53.76 1pfn s ALA 39 Cb -0.11 -3.59 -0.04 0.00 0.00 0.00 0.00 23.12 19.38 1pfn s ALA 39 CO 0.31 -0.74 -0.13 -1.14 0.00 0.00 0.00 175.76 174.05 1pfn s GLN 40 N 0.86 1.02 -0.25 0.00 0.74 -0.85 -4.73 119.66 116.45 1pfn s GLN 40 Ca 0.67 -1.26 -0.20 0.00 0.05 0.00 0.00 55.36 54.62 1pfn s GLN 40 Cb -0.42 -0.85 0.07 0.00 1.10 0.00 0.00 33.01 32.91 1pfn s GLN 40 CO 0.33 0.16 0.65 -0.48 -0.55 0.00 0.00 175.29 175.40 1pfn s LEU 41 N -2.55 -0.63 0.37 3.68 2.34 -1.26 -0.61 118.68 120.02 1pfn s LEU 41 Ca 0.10 1.36 0.08 0.00 0.06 0.00 0.00 54.13 55.73 1pfn s LEU 41 Cb -0.04 2.24 -0.04 0.00 -0.56 0.00 0.00 46.19 47.79 1pfn s LEU 41 CO 0.03 -0.23 0.19 -0.63 -1.06 0.00 0.00 176.35 174.65 1pfn s ILE 42 N 0.85 2.84 0.32 1.48 -1.09 -0.36 -2.59 121.20 122.65 1pfn s ILE 42 Ca -0.04 -1.63 0.07 0.00 -2.23 0.00 0.00 60.65 56.82 1pfn s ILE 42 Cb -0.05 -3.00 -0.03 0.00 -1.58 0.00 0.00 42.46 37.81 1pfn s ILE 42 CO -0.07 -0.12 0.25 0.00 -1.23 0.00 0.00 174.94 173.78 1pfn n ALA 43 N -1.24 0.67 -3.12 9.38 0.00 -0.96 -0.29 120.51 124.95 1pfn n ALA 43 Ca -0.02 -1.85 -0.13 0.00 0.00 0.00 0.00 53.44 51.44 1pfn n ALA 43 Cb 0.62 1.47 -0.12 0.00 0.00 0.00 0.00 19.45 21.42 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 -3.25 -0.00 0.08 0.00 2.01 0.22 -3.09 115.64 111.61 1pfn s THR 44 Ca 0.36 0.01 0.01 0.00 0.31 0.00 0.00 61.69 62.38 1pfn s THR 44 Cb 0.02 -0.30 0.01 0.00 0.01 0.00 0.00 72.50 72.24 1pfn s THR 44 CO 0.25 0.00 0.09 0.18 -0.69 0.00 0.00 174.62 174.46 1pfn n LEU 45 N 3.03 0.00 -0.03 4.42 4.32 -1.06 -1.99 117.00 125.68 1pfn n LEU 45 Ca -0.13 -0.38 -0.17 0.00 -0.02 0.00 0.00 56.01 55.31 1pfn n LEU 45 Cb 0.58 -0.04 -0.07 0.00 -1.62 0.00 0.00 43.42 42.28 1pfn n LEU 45 CO 0.19 -0.43 0.29 0.11 -1.22 0.00 0.00 177.39 176.33 1pfn h LYS 46 N 0.00 0.82 -6.09 3.23 1.79 -1.65 -3.30 116.57 111.37 1pfn h LYS 46 Ca -0.04 -0.64 -0.59 0.00 -2.18 0.00 0.00 60.65 57.19 1pfn h LYS 46 Cb 0.18 0.13 -0.10 0.00 -1.58 0.00 0.00 32.23 30.86 1pfn h LYS 46 CO 0.07 1.25 1.49 -0.80 -1.08 0.00 0.00 179.45 180.38 1pfn s ASN 47 N -7.09 6.46 -0.04 0.86 0.02 -1.26 -4.80 114.94 109.09 1pfn s ASN 47 Ca -0.10 -1.45 -0.00 0.00 -1.02 0.00 0.00 52.86 50.29 1pfn s ASN 47 Cb 0.09 -2.57 -0.01 0.00 0.02 0.00 0.00 41.25 38.78 1pfn s ASN 47 CO 0.90 -1.55 0.62 0.61 0.02 0.00 0.00 177.10 177.70 1pfn n GLY 48 N 6.85 -0.02 3.38 0.66 0.00 -1.24 -4.76 105.19 110.06 1pfn n GLY 48 Ca 0.34 -0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.14 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 2.94 1.82 -0.14 1.61 1.70 -1.26 -4.96 118.95 120.66 1pfn s ARG 49 Ca 0.05 -2.08 -0.06 0.00 -0.47 0.00 0.00 55.73 53.18 1pfn s ARG 49 Cb -0.03 -0.05 0.06 0.00 -0.57 0.00 0.00 34.95 34.36 1pfn s ARG 49 CO 0.02 -0.58 0.30 0.15 -1.08 0.00 0.00 175.30 174.11 1pfn s LYS 50 N -3.57 0.22 0.00 3.89 3.01 -1.26 -2.57 119.74 119.46 1pfn s LYS 50 Ca 0.34 0.72 0.00 0.00 -1.01 0.00 0.00 55.97 56.02 1pfn s LYS 50 Cb 0.02 -0.01 0.00 0.00 -1.01 0.00 0.00 37.83 36.83 1pfn s LYS 50 CO 0.22 -0.23 0.00 0.44 0.51 0.00 0.00 175.35 176.29 1pfn n ILE 51 N 4.88 0.00 -3.63 2.17 -6.64 -1.18 -4.86 119.36 110.10 1pfn n ILE 51 Ca -0.14 0.00 -0.03 0.00 -1.77 0.00 0.00 62.75 60.80 1pfn n ILE 51 Cb 0.51 0.00 -0.04 0.00 -1.44 0.00 0.00 39.64 38.68 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 0.42 0.00 -4.87 0.00 4.77 -1.07 -0.77 117.00 115.48 1pfn n LEU 53 Ca -0.00 -2.00 -0.26 0.00 -0.03 0.00 0.00 56.01 53.72 1pfn n LEU 53 Cb 0.58 0.75 -0.04 0.00 -2.33 0.00 0.00 43.42 42.38 1pfn n LEU 53 CO 0.08 -0.31 -0.15 1.51 -1.33 0.00 0.00 177.39 177.19 1pfn s ASP 54 N -2.57 5.93 -0.05 -1.43 1.47 -1.26 -4.18 116.67 114.57 1pfn s ASP 54 Ca 0.16 0.01 0.20 0.00 1.18 0.00 0.00 52.55 54.10 1pfn s ASP 54 Cb 0.01 -1.68 -0.26 0.00 -0.34 0.00 0.00 42.92 40.66 1pfn s ASP 54 CO 0.11 0.05 0.44 -0.11 0.68 0.00 0.00 175.17 176.35 1pfn n LEU 55 N -0.52 0.20 -2.42 2.11 7.94 -1.26 -4.38 117.00 118.66 1pfn n LEU 55 Ca -0.08 0.08 -0.25 0.00 -1.11 0.00 0.00 56.01 54.66 1pfn n LEU 55 Cb 0.55 0.17 -0.08 0.00 0.53 0.00 0.00 43.42 44.58 1pfn n LEU 55 CO 0.46 0.17 1.61 1.67 -1.11 0.00 0.00 177.39 180.18 1pfn n GLN 56 N -2.54 2.36 -3.44 1.96 -0.06 -1.26 -4.86 117.38 109.54 1pfn n GLN 56 Ca -0.14 -2.12 -0.13 0.00 -2.00 0.00 0.00 57.00 52.61 1pfn n GLN 56 Cb 0.80 -2.13 -0.03 0.00 -4.06 0.00 0.00 30.24 24.82 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 -1.22 -1.64 -1.78 1.69 0.00 -1.26 -5.02 121.76 112.54 1pfn s ALA 57 Ca 0.60 0.65 0.28 0.00 0.00 0.00 0.00 51.96 53.50 1pfn s ALA 57 Cb 0.37 0.72 1.59 0.00 0.00 0.00 0.00 23.12 25.80 1pfn s ALA 57 CO -0.18 -0.70 2.01 -0.35 0.00 0.00 0.00 175.76 176.54 1pfn n PRO 58 N -0.16 0.70 0.43 0.00 -0.04 -1.26 -3.88 135.00 130.80 1pfn n PRO 58 Ca -0.17 0.01 -0.18 0.00 -0.04 0.00 0.00 63.50 63.12 1pfn n PRO 58 Cb 0.64 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.50 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 -0.91 -1.57 1.53 7.12 -1.95 -2.13 115.31 117.39 1pfn h LEU 59 Ca 0.00 0.02 0.00 0.00 0.13 0.00 0.00 57.88 58.03 1pfn h LEU 59 Cb 0.10 0.23 0.00 0.00 -0.53 0.00 0.00 40.66 40.46 1pfn h LEU 59 CO 0.00 -0.61 0.00 0.10 -0.13 0.00 0.00 178.44 177.80 1pfn h TYR 60 N -1.13 0.00 0.00 1.25 -0.00 -1.78 -1.65 116.97 113.66 1pfn h TYR 60 Ca -0.11 0.00 -0.04 0.00 -0.00 0.00 0.00 58.73 58.58 1pfn h TYR 60 Cb 0.83 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 37.56 1pfn h TYR 60 CO -0.01 0.00 -0.19 -0.22 -0.00 0.00 0.00 178.16 177.74 1pfn h LYS 61 N 0.00 0.00 0.00 0.10 1.63 -1.56 0.24 116.57 116.98 1pfn h LYS 61 Ca 0.00 0.00 -0.10 0.00 -0.85 0.00 0.00 60.65 59.70 1pfn h LYS 61 Cb 0.45 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.06 1pfn h LYS 61 CO 0.00 0.19 -0.49 0.87 -3.45 0.00 0.00 179.45 176.57 1pfn h LYS 62 N 0.00 0.00 0.35 1.90 1.57 -0.67 -1.56 116.57 118.16 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 0.53 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.84 1pfn h LYS 62 CO 0.02 0.49 -0.17 0.82 -0.57 0.00 0.00 179.45 180.05 1pfn h ILE 63 N 0.00 0.00 -0.88 1.86 2.04 -0.98 -1.18 117.51 118.37 1pfn h ILE 63 Ca -0.00 -0.55 0.09 0.00 1.00 0.00 0.00 64.86 65.40 1pfn h ILE 63 Cb 1.20 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 37.20 1pfn h ILE 63 CO 0.06 0.00 0.52 0.40 0.00 0.00 0.00 178.15 179.14 1pfn h ILE 64 N -1.02 0.94 -0.48 -0.67 2.04 -1.36 0.14 117.51 117.10 1pfn h ILE 64 Ca -0.05 -0.30 -0.03 0.00 1.00 0.00 0.00 64.86 65.48 1pfn h ILE 64 Cb 0.36 -0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.40 1pfn h ILE 64 CO 0.08 0.16 0.17 0.11 0.00 0.00 0.00 178.15 178.67 1pfn h LYS 65 N 0.88 0.70 0.00 2.37 1.57 -1.33 0.03 116.57 120.79 1pfn h LYS 65 Ca 0.42 -0.11 -0.05 0.00 -1.87 0.00 0.00 60.65 59.04 1pfn h LYS 65 Cb 0.35 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 1pfn h LYS 65 CO -0.24 0.60 -0.22 0.87 -0.57 0.00 0.00 179.45 179.89 1pfn h LYS 66 N 0.69 0.00 0.00 3.15 1.57 0.53 -2.09 116.57 120.42 1pfn h LYS 66 Ca 0.16 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.82 1pfn h LYS 66 Cb 0.18 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 1pfn h LYS 66 CO -0.01 0.22 -0.73 -0.07 -0.57 0.00 0.00 179.45 178.29 1pfn h LEU 67 N 0.00 0.00 -0.02 2.94 3.38 0.33 -3.30 115.31 118.63 1pfn h LEU 67 Ca -0.00 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.75 1pfn h LEU 67 Cb 0.63 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.40 1pfn h LEU 67 CO 0.03 0.55 -0.84 -0.07 0.09 0.00 0.00 178.44 178.20 1pfn h LEU 68 N 0.00 0.78 -1.74 1.67 3.38 -0.55 -3.13 115.31 115.72 1pfn h LEU 68 Ca -0.04 -0.73 0.25 0.00 0.09 0.00 0.00 57.88 57.45 1pfn h LEU 68 Cb 1.45 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.93 1pfn h LEU 68 CO 0.07 1.40 0.80 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 -3.51 114.58 110.95 1pfn h GLU 69 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.26 1pfn h GLU 69 Cb 1.51 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.26 1pfn h GLU 69 CO 0.17 0.00 0.00 0.45 -0.00 0.00 0.00 179.01 179.63