#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 1.09 -3.95 7.83 7.64 -1.26 -5.00 113.62 119.96 1pfn n SER 4 Ca 0.00 -2.86 -0.41 0.00 1.01 0.00 0.00 58.87 56.61 1pfn n SER 4 Cb 0.00 -0.64 -0.00 0.00 -1.01 0.00 0.00 64.21 62.56 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 1.49 5.03 -0.08 -0.43 0.00 -1.26 -4.62 120.51 120.64 1pfn n ALA 5 Ca 0.24 -4.80 0.00 0.00 0.00 0.00 0.00 53.44 48.88 1pfn n ALA 5 Cb 0.49 -2.20 0.00 0.00 0.00 0.00 0.00 19.45 17.74 1pfn n ALA 5 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1pfn n LYS 6 N 1.32 0.00 -3.87 0.00 4.81 -1.26 -5.09 118.16 114.07 1pfn n LYS 6 Ca 0.26 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.59 1pfn n LYS 6 Cb 0.34 0.00 -0.13 0.00 0.02 0.00 0.00 35.03 35.26 1pfn n LYS 6 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 1pfn s GLU 7 N -0.92 0.13 0.12 1.64 2.12 -1.26 -4.63 118.70 115.90 1pfn s GLU 7 Ca 0.00 -0.06 0.00 0.00 0.36 0.00 0.00 54.97 55.27 1pfn s GLU 7 Cb 0.00 0.06 0.00 0.00 0.26 0.00 0.00 34.13 34.45 1pfn s GLU 7 CO 0.00 -0.02 0.00 1.28 -0.54 0.00 0.00 175.26 175.98 1pfn n LEU 8 N 2.73 -0.12 -2.77 2.70 4.32 -1.12 -5.05 117.00 117.69 1pfn n LEU 8 Ca -0.15 0.21 -0.09 0.00 -0.02 0.00 0.00 56.01 55.96 1pfn n LEU 8 Cb 0.59 0.22 0.06 0.00 -1.62 0.00 0.00 43.42 42.66 1pfn n LEU 8 CO 0.23 -0.61 0.22 -1.14 -1.22 0.00 0.00 177.39 174.87 1pfn n ARG 9 N -2.90 0.86 -2.67 3.23 3.00 -0.82 -5.04 116.66 112.32 1pfn n ARG 9 Ca 0.00 -1.90 -0.42 0.00 -0.00 0.00 0.00 57.85 55.52 1pfn n ARG 9 Cb 0.00 -1.31 -0.03 0.00 0.00 0.00 0.00 32.46 31.12 1pfn n ARG 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1pfn h GLN 11 N 7.03 0.00 -3.08 0.00 4.20 -2.00 -3.23 115.11 118.04 1pfn h GLN 11 Ca -0.34 0.00 -0.58 0.00 0.06 0.00 0.00 58.65 57.79 1pfn h GLN 11 Cb 1.17 0.00 -0.40 0.00 0.30 0.00 0.00 27.48 28.55 1pfn h GLN 11 CO 0.83 0.00 -0.78 0.00 -0.67 0.00 0.00 178.83 178.21 1pfn n VAL 13 N 4.51 0.00 0.00 0.00 0.31 -1.22 -4.80 118.33 117.13 1pfn n VAL 13 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 1pfn n VAL 13 Cb 0.39 -0.78 0.00 0.00 -0.91 0.00 0.00 33.84 32.54 1pfn n VAL 13 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1pfn n LYS 14 N 0.00 -1.11 -4.03 5.55 4.76 -1.26 -4.96 118.16 117.11 1pfn n LYS 14 Ca 0.00 0.00 -0.35 0.00 -2.87 0.00 0.00 58.31 55.09 1pfn n LYS 14 Cb 0.00 0.00 -0.08 0.00 -1.84 0.00 0.00 35.03 33.11 1pfn n LYS 14 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 1pfn s THR 15 N -0.77 4.98 -0.77 -0.18 2.01 -1.26 -4.97 115.64 114.67 1pfn s THR 15 Ca 0.00 0.02 -0.04 0.00 0.31 0.00 0.00 61.69 61.98 1pfn s THR 15 Cb 0.00 -3.19 0.09 0.00 0.01 0.00 0.00 72.50 69.42 1pfn s THR 15 CO 0.00 0.55 2.60 0.41 -0.69 0.00 0.00 174.62 177.49 1pfn n THR 16 N 2.67 4.06 0.35 -0.82 -1.04 0.10 -4.55 114.28 115.04 1pfn n THR 16 Ca -0.18 -3.55 0.14 0.00 -2.04 0.00 0.00 64.05 58.42 1pfn n THR 16 Cb 0.53 -1.75 0.47 0.00 -1.82 0.00 0.00 70.33 67.77 1pfn n THR 16 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 1pfn h SER 17 N 3.58 0.00 -0.43 8.00 4.64 -1.95 -3.16 113.55 124.22 1pfn h SER 17 Ca 0.51 0.00 0.12 0.00 -0.47 0.00 0.00 61.79 61.95 1pfn h SER 17 Cb 0.55 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.63 1pfn h SER 17 CO 1.10 0.00 0.53 1.56 -0.87 0.00 0.00 176.83 179.15 1pfn h GLN 18 N 0.00 0.00 -6.98 4.77 7.50 -1.92 -3.40 115.11 115.09 1pfn h GLN 18 Ca 0.00 0.00 -0.47 0.00 0.50 0.00 0.00 58.65 58.68 1pfn h GLN 18 Cb 0.63 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.16 1pfn h GLN 18 CO 0.00 0.00 0.38 0.08 -1.50 0.00 0.00 178.83 177.79 1pfn s VAL 19 N -4.52 3.99 -0.20 -0.54 1.01 -1.20 -5.03 120.40 113.91 1pfn s VAL 19 Ca -0.04 1.46 -0.08 0.00 0.00 0.00 0.00 61.98 63.31 1pfn s VAL 19 Cb 0.14 -3.72 -0.04 0.00 0.00 0.00 0.00 36.38 32.76 1pfn s VAL 19 CO 0.50 -0.06 0.09 -0.13 0.00 0.00 0.00 175.10 175.50 1pfn s ARG 20 N -2.61 4.00 0.15 2.72 0.52 -1.26 -5.08 118.95 117.39 1pfn s ARG 20 Ca 0.58 -0.32 -0.30 0.00 -0.52 0.00 0.00 55.73 55.16 1pfn s ARG 20 Cb -0.18 -3.31 -0.07 0.00 0.52 0.00 0.00 34.95 31.92 1pfn s ARG 20 CO 0.23 0.21 0.96 -1.25 0.02 0.00 0.00 175.30 175.47 1pfn s PRO 21 N 0.58 4.74 0.07 3.54 0.04 -1.26 -4.80 135.00 137.91 1pfn s PRO 21 Ca 0.05 1.48 0.00 0.00 0.04 0.00 0.00 61.00 62.57 1pfn s PRO 21 Cb -0.13 -3.34 0.00 0.00 0.04 0.00 0.00 34.50 31.07 1pfn s PRO 21 CO 0.01 0.29 0.00 0.54 0.04 0.00 0.00 177.00 177.88 1pfn n ARG 22 N 2.38 0.00 -1.00 4.56 1.74 -1.26 -4.93 116.66 118.15 1pfn n ARG 22 Ca 0.01 0.00 -0.17 0.00 -0.77 0.00 0.00 57.85 56.92 1pfn n ARG 22 Cb 0.48 0.00 0.18 0.00 -1.02 0.00 0.00 32.46 32.10 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 -2.37 2.49 -0.74 -1.55 8.25 -1.26 -4.99 115.22 115.05 1pfn n HIS 23 Ca 0.00 -1.51 -0.33 0.00 -0.26 0.00 0.00 57.72 55.62 1pfn n HIS 23 Cb 0.00 -0.79 0.14 0.00 1.12 0.00 0.00 29.99 30.46 1pfn n HIS 23 CO 0.00 0.00 0.00 1.51 0.64 0.00 0.00 176.34 178.49 1pfn n ILE 24 N -0.71 0.00 0.00 1.59 0.13 -1.26 -2.37 119.36 116.73 1pfn n ILE 24 Ca 0.47 -0.25 0.00 0.00 -1.10 0.00 0.00 62.75 61.87 1pfn n ILE 24 Cb 1.44 -0.52 0.00 0.00 -0.84 0.00 0.00 39.64 39.72 1pfn n ILE 24 CO 0.00 0.00 0.00 0.35 2.80 0.00 0.00 176.55 179.70 1pfn n THR 25 N -4.11 0.00 -3.46 9.51 -2.24 -0.88 -4.60 114.28 108.50 1pfn n THR 25 Ca 0.01 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.67 1pfn n THR 25 Cb 0.62 -0.62 -0.03 0.00 -2.10 0.00 0.00 70.33 68.21 1pfn n THR 25 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1pfn s SER 26 N -4.44 -0.53 -0.08 3.42 0.01 -1.20 -5.04 113.70 105.84 1pfn s SER 26 Ca 0.00 0.05 -0.15 0.00 1.31 0.00 0.00 55.95 57.16 1pfn s SER 26 Cb 0.00 0.57 0.03 0.00 0.21 0.00 0.00 66.02 66.83 1pfn s SER 26 CO 0.00 -0.90 0.36 -0.22 0.41 0.00 0.00 173.24 172.89 1pfn s LEU 27 N -2.55 0.63 0.42 2.44 0.20 -1.26 0.60 118.68 119.16 1pfn s LEU 27 Ca -0.00 0.44 -0.01 0.00 0.69 0.00 0.00 54.13 55.25 1pfn s LEU 27 Cb -0.01 1.35 -0.02 0.00 -0.43 0.00 0.00 46.19 47.09 1pfn s LEU 27 CO -0.10 -0.31 0.64 -1.61 -0.29 0.00 0.00 176.35 174.69 1pfn s GLU 28 N -0.61 3.31 -0.33 1.98 2.02 0.49 -4.93 118.70 120.63 1pfn s GLU 28 Ca -0.07 -0.30 0.02 0.00 0.02 0.00 0.00 54.97 54.64 1pfn s GLU 28 Cb -0.04 -2.56 0.15 0.00 0.10 0.00 0.00 34.13 31.78 1pfn s GLU 28 CO 0.03 -0.10 0.38 0.08 0.02 0.00 0.00 175.26 175.67 1pfn s VAL 29 N -2.50 -0.48 -0.05 2.63 1.01 -1.26 -2.35 120.40 117.41 1pfn s VAL 29 Ca 0.45 -0.58 -0.03 0.00 0.00 0.00 0.00 61.98 61.82 1pfn s VAL 29 Cb -0.10 -0.82 -0.04 0.00 0.00 0.00 0.00 36.38 35.42 1pfn s VAL 29 CO 0.38 -0.43 0.11 0.27 0.00 0.00 0.00 175.10 175.44 1pfn s ILE 30 N 2.06 5.04 0.66 2.22 -4.36 -0.31 -4.98 121.20 121.52 1pfn s ILE 30 Ca 0.12 -0.17 -0.11 0.00 -0.26 0.00 0.00 60.65 60.24 1pfn s ILE 30 Cb -0.13 -3.26 0.15 0.00 1.25 0.00 0.00 42.46 40.47 1pfn s ILE 30 CO -0.20 0.45 0.85 1.17 0.24 0.00 0.00 174.94 177.45 1pfn n LYS 31 N 1.47 -1.01 -2.51 0.37 4.81 -1.26 -2.07 118.16 117.97 1pfn n LYS 31 Ca -0.15 -1.32 -0.40 0.00 -0.87 0.00 0.00 58.31 55.57 1pfn n LYS 31 Cb 0.53 -0.91 -0.03 0.00 0.02 0.00 0.00 35.03 34.65 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 -3.88 2.72 1.00 3.14 0.00 -1.25 -4.23 121.76 119.26 1pfn s ALA 32 Ca 0.49 -2.33 0.00 0.00 0.00 0.00 0.00 51.96 50.12 1pfn s ALA 32 Cb -0.02 -4.56 0.00 0.00 0.00 0.00 0.00 23.12 18.54 1pfn s ALA 32 CO 0.35 -3.70 0.00 0.41 0.00 0.00 0.00 175.76 172.82 1pfn n GLY 33 N 6.55 -1.32 0.01 0.00 0.00 0.45 -4.50 105.19 106.37 1pfn n GLY 33 Ca 0.37 -1.36 -0.00 0.00 0.00 0.00 0.00 46.02 45.04 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 -0.08 1.61 0.13 -1.96 -2.49 132.00 129.20 1pfn h PRO 34 Ca 0.00 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 65.15 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 0.08 1.12 -0.23 0.00 0.00 178.00 178.96 1pfn h HIS 35 N -0.04 0.00 -2.90 1.56 2.07 -1.94 -3.01 115.15 110.89 1pfn h HIS 35 Ca -0.00 0.00 -0.63 0.00 -2.85 0.00 0.00 60.37 56.89 1pfn h HIS 35 Cb 0.01 0.00 -0.41 0.00 2.57 0.00 0.00 27.41 29.57 1pfn h HIS 35 CO 0.03 0.00 -0.51 0.00 -3.07 0.00 0.00 177.93 174.38 1pfn n PRO 37 N 1.71 0.04 -3.38 0.00 -0.04 -0.94 0.17 135.00 132.56 1pfn n PRO 37 Ca 0.23 0.25 -0.29 0.00 -0.04 0.00 0.00 63.50 63.64 1pfn n PRO 37 Cb 0.36 -1.56 -0.04 0.00 -0.04 0.00 0.00 33.50 32.23 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 -3.05 5.03 0.07 0.52 -1.32 -1.26 -4.63 115.64 111.00 1pfn s THR 38 Ca 0.07 0.09 -0.31 0.00 -1.21 0.00 0.00 61.69 60.34 1pfn s THR 38 Cb 0.11 -3.71 -0.08 0.00 -1.51 0.00 0.00 72.50 67.31 1pfn s THR 38 CO 0.32 -0.26 1.53 0.00 -2.21 0.00 0.00 174.62 174.00 1pfn s ALA 39 N -2.01 3.65 0.08 11.08 0.00 -1.26 -3.76 121.76 129.54 1pfn s ALA 39 Ca 0.44 1.12 0.09 0.00 0.00 0.00 0.00 51.96 53.61 1pfn s ALA 39 Cb -0.11 -3.63 -0.03 0.00 0.00 0.00 0.00 23.12 19.35 1pfn s ALA 39 CO 0.28 -0.93 -0.25 -1.14 0.00 0.00 0.00 175.76 173.73 1pfn s GLN 40 N 2.14 1.49 -0.16 0.00 0.74 -0.88 -4.70 119.66 118.30 1pfn s GLN 40 Ca 0.69 -1.17 -0.09 0.00 0.05 0.00 0.00 55.36 54.84 1pfn s GLN 40 Cb -0.37 -1.78 0.05 0.00 1.10 0.00 0.00 33.01 32.01 1pfn s GLN 40 CO 0.30 0.44 0.38 -1.17 -0.55 0.00 0.00 175.29 174.69 1pfn s LEU 41 N -1.60 0.08 0.41 3.68 0.20 -1.25 -1.16 118.68 119.03 1pfn s LEU 41 Ca 0.11 0.82 0.08 0.00 0.69 0.00 0.00 54.13 55.82 1pfn s LEU 41 Cb -0.10 1.25 -0.04 0.00 -0.43 0.00 0.00 46.19 46.87 1pfn s LEU 41 CO 0.04 -0.18 0.24 -0.63 -0.29 0.00 0.00 176.35 175.53 1pfn s ILE 42 N 1.20 2.50 0.35 6.68 -1.09 -0.99 -2.18 121.20 127.67 1pfn s ILE 42 Ca -0.08 -1.58 0.02 0.00 -2.23 0.00 0.00 60.65 56.78 1pfn s ILE 42 Cb -0.08 -3.00 -0.01 0.00 -1.58 0.00 0.00 42.46 37.80 1pfn s ILE 42 CO -0.10 -0.02 0.41 0.00 -1.23 0.00 0.00 174.94 174.00 1pfn n ALA 43 N -1.33 0.07 -3.22 9.38 0.00 -0.90 -0.38 120.51 124.12 1pfn n ALA 43 Ca 0.00 -1.76 -0.13 0.00 0.00 0.00 0.00 53.44 51.56 1pfn n ALA 43 Cb 0.63 1.42 -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 -3.03 -0.01 0.00 0.00 2.01 0.20 -3.07 115.64 111.74 1pfn s THR 44 Ca 0.33 0.03 0.00 0.00 0.31 0.00 0.00 61.69 62.37 1pfn s THR 44 Cb 0.00 -0.29 0.00 0.00 0.01 0.00 0.00 72.50 72.22 1pfn s THR 44 CO 0.24 0.01 0.00 -0.11 -0.69 0.00 0.00 174.62 174.07 1pfn n LEU 45 N 3.25 0.00 -0.04 4.42 0.00 -1.12 -2.06 117.00 121.44 1pfn n LEU 45 Ca -0.15 0.00 -0.14 0.00 0.00 0.00 0.00 56.01 55.72 1pfn n LEU 45 Cb 0.57 0.00 -0.08 0.00 0.00 0.00 0.00 43.42 43.91 1pfn n LEU 45 CO 0.19 -0.41 0.54 0.50 0.00 0.00 0.00 177.39 178.21 1pfn h LYS 46 N 0.00 0.29 -6.27 1.96 3.11 -1.72 -3.31 116.57 110.63 1pfn h LYS 46 Ca 0.00 -0.19 -0.54 0.00 -2.81 0.00 0.00 60.65 57.11 1pfn h LYS 46 Cb 0.00 0.02 -0.08 0.00 -1.00 0.00 0.00 32.23 31.17 1pfn h LYS 46 CO 0.00 0.78 1.15 -0.80 -2.81 0.00 0.00 179.45 177.77 1pfn s ASN 47 N -6.17 6.11 0.00 4.20 0.02 -1.26 -4.77 114.94 113.07 1pfn s ASN 47 Ca -0.15 -0.54 0.00 0.00 -1.02 0.00 0.00 52.86 51.16 1pfn s ASN 47 Cb 0.04 -2.56 0.00 0.00 0.02 0.00 0.00 41.25 38.75 1pfn s ASN 47 CO 0.75 -1.86 0.62 0.61 0.02 0.00 0.00 177.10 177.25 1pfn n GLY 48 N 5.68 0.00 1.94 0.66 0.00 -1.25 -4.76 105.19 107.46 1pfn n GLY 48 Ca 0.10 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.95 1pfn n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pfn n ARG 49 N 2.87 1.25 -3.65 1.61 1.74 -1.26 -4.92 116.66 114.28 1pfn n ARG 49 Ca 0.00 -1.98 -0.04 0.00 -0.77 0.00 0.00 57.85 55.06 1pfn n ARG 49 Cb 0.31 0.61 -0.06 0.00 -1.02 0.00 0.00 32.46 32.30 1pfn n ARG 49 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1pfn s LYS 50 N -2.97 0.50 0.00 5.56 3.01 -1.26 -2.78 119.74 121.79 1pfn s LYS 50 Ca 0.02 1.27 0.00 0.00 -1.01 0.00 0.00 55.97 56.25 1pfn s LYS 50 Cb 0.00 0.61 0.00 0.00 -1.01 0.00 0.00 37.83 37.43 1pfn s LYS 50 CO 0.01 -0.21 0.00 0.44 0.51 0.00 0.00 175.35 176.10 1pfn n ILE 51 N 5.30 0.00 -3.63 2.17 -6.64 -1.17 -4.88 119.36 110.50 1pfn n ILE 51 Ca -0.12 0.00 -0.04 0.00 -1.77 0.00 0.00 62.75 60.82 1pfn n ILE 51 Cb 0.50 0.00 -0.05 0.00 -1.44 0.00 0.00 39.64 38.65 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 -0.65 2.03 0.00 0.00 1.43 -0.93 -0.72 118.68 119.84 1pfn s LEU 53 Ca 0.07 -1.70 0.01 0.00 -1.03 0.00 0.00 54.13 51.48 1pfn s LEU 53 Cb -0.02 -0.17 0.05 0.00 0.03 0.00 0.00 46.19 46.08 1pfn s LEU 53 CO -0.09 -0.95 0.40 -0.67 0.23 0.00 0.00 176.35 175.27 1pfn n ASP 54 N -1.36 0.70 0.00 2.29 -0.08 -1.26 -3.88 116.55 112.95 1pfn n ASP 54 Ca -0.08 -1.55 0.00 0.00 -1.51 0.00 0.00 54.79 51.65 1pfn n ASP 54 Cb 0.65 -0.24 0.00 0.00 2.34 0.00 0.00 41.12 43.87 1pfn n ASP 54 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1pfn n LEU 55 N 0.00 0.00 -1.62 -2.67 4.32 -1.26 -4.66 117.00 111.11 1pfn n LEU 55 Ca 0.07 -0.35 0.05 0.00 -0.02 0.00 0.00 56.01 55.76 1pfn n LEU 55 Cb 0.25 0.00 0.35 0.00 -1.62 0.00 0.00 43.42 42.40 1pfn n LEU 55 CO 0.17 0.00 0.85 1.67 -1.22 0.00 0.00 177.39 178.86 1pfn n GLN 56 N -0.84 4.11 -4.27 3.23 -0.06 -1.26 -4.95 117.38 113.35 1pfn n GLN 56 Ca 0.00 -3.07 -0.20 0.00 -2.00 0.00 0.00 57.00 51.72 1pfn n GLN 56 Cb 0.00 -2.14 -0.11 0.00 -4.06 0.00 0.00 30.24 23.93 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 -2.84 1.66 -1.91 1.69 0.00 -1.26 -5.02 121.76 114.08 1pfn s ALA 57 Ca 0.51 -1.30 0.29 0.00 0.00 0.00 0.00 51.96 51.46 1pfn s ALA 57 Cb 0.40 -0.14 1.70 0.00 0.00 0.00 0.00 23.12 25.08 1pfn s ALA 57 CO 0.13 0.20 2.07 -0.35 0.00 0.00 0.00 175.76 177.81 1pfn n PRO 58 N 0.66 0.84 0.26 0.00 -0.04 -1.26 -3.88 135.00 131.58 1pfn n PRO 58 Ca -0.16 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.15 1pfn n PRO 58 Cb 0.56 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.44 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 -0.57 -1.52 1.53 5.85 -1.95 -2.30 115.31 116.36 1pfn h LEU 59 Ca 0.00 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.66 1pfn h LEU 59 Cb 0.04 0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.22 1pfn h LEU 59 CO 0.00 -0.26 0.00 0.10 -0.34 0.00 0.00 178.44 177.94 1pfn h TYR 60 N -0.87 0.00 0.00 1.25 -0.00 -1.85 -1.70 116.97 113.80 1pfn h TYR 60 Ca -0.07 0.00 -0.02 0.00 -0.00 0.00 0.00 58.73 58.65 1pfn h TYR 60 Cb 0.59 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 37.32 1pfn h TYR 60 CO -0.00 0.00 -0.08 -0.22 -0.00 0.00 0.00 178.16 177.86 1pfn h LYS 61 N 0.00 0.00 0.00 0.10 3.64 -1.58 0.11 116.57 118.83 1pfn h LYS 61 Ca 0.00 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.25 1pfn h LYS 61 Cb 0.49 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.29 1pfn h LYS 61 CO 0.00 0.08 -0.62 1.57 -2.27 0.00 0.00 179.45 178.21 1pfn h LYS 62 N 0.00 0.00 0.18 1.90 2.10 -0.76 -1.52 116.57 118.46 1pfn h LYS 62 Ca -0.00 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.64 1pfn h LYS 62 Cb 0.47 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.81 1pfn h LYS 62 CO 0.01 0.62 -0.08 0.82 -2.00 0.00 0.00 179.45 178.81 1pfn h ILE 63 N 0.00 0.85 -0.70 0.07 2.04 -1.01 -0.69 117.51 118.06 1pfn h ILE 63 Ca -0.01 -1.06 -0.04 0.00 1.00 0.00 0.00 64.86 64.76 1pfn h ILE 63 Cb 1.39 1.40 -0.03 0.00 -0.74 0.00 0.00 36.82 38.84 1pfn h ILE 63 CO 0.08 0.21 0.29 0.40 0.00 0.00 0.00 178.15 179.13 1pfn h ILE 64 N -0.83 1.24 -0.12 -0.67 2.04 -1.38 -0.09 117.51 117.70 1pfn h ILE 64 Ca -0.02 -0.74 -0.04 0.00 1.00 0.00 0.00 64.86 65.05 1pfn h ILE 64 Cb 0.52 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 37.02 1pfn h ILE 64 CO 0.04 0.30 -0.09 0.11 0.00 0.00 0.00 178.15 178.51 1pfn h LYS 65 N 0.99 0.19 0.00 2.37 1.57 -1.32 0.24 116.57 120.61 1pfn h LYS 65 Ca 0.23 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.92 1pfn h LYS 65 Cb 0.19 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 1pfn h LYS 65 CO -0.02 0.29 -0.27 0.87 -0.57 0.00 0.00 179.45 179.76 1pfn h LYS 66 N 0.18 0.00 0.00 3.15 1.57 -0.01 -2.19 116.57 119.27 1pfn h LYS 66 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1pfn h LYS 66 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.60 1pfn h LYS 66 CO 0.02 0.27 -0.59 -0.07 -0.57 0.00 0.00 179.45 178.50 1pfn h LEU 67 N 0.00 0.00 0.17 2.94 3.38 0.63 -3.33 115.31 119.10 1pfn h LEU 67 Ca -0.00 -0.04 -0.35 0.00 0.09 0.00 0.00 57.88 57.57 1pfn h LEU 67 Cb 1.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.79 1pfn h LEU 67 CO 0.03 0.02 -1.79 -0.07 0.09 0.00 0.00 178.44 176.72 1pfn h LEU 68 N 0.00 0.56 -1.70 1.67 3.38 -0.85 -3.30 115.31 115.06 1pfn h LEU 68 Ca 0.00 -0.91 0.20 0.00 0.09 0.00 0.00 57.88 57.26 1pfn h LEU 68 Cb 0.94 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.48 1pfn h LEU 68 CO 0.00 1.78 0.72 1.05 0.09 0.00 0.00 178.44 182.08 1pfn h GLU 69 N 0.10 0.00 -0.02 1.13 -0.00 -1.51 -3.51 114.58 110.77 1pfn h GLU 69 Ca -0.36 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.00 1pfn h GLU 69 Cb 2.08 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.83 1pfn h GLU 69 CO 0.16 0.00 0.00 0.45 -0.00 0.00 0.00 179.01 179.62