#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 -0.15 -3.81 7.83 2.88 -1.26 -5.09 113.62 114.03 1pfn n SER 4 Ca 0.00 0.04 -0.29 0.00 -1.33 0.00 0.00 58.87 57.29 1pfn n SER 4 Cb 0.00 0.46 -0.16 0.00 -0.75 0.00 0.00 64.21 63.77 1pfn n SER 4 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1pfn s ALA 5 N -1.05 1.58 0.00 -1.46 0.00 -1.26 -4.91 121.76 114.66 1pfn s ALA 5 Ca 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 51.96 50.62 1pfn s ALA 5 Cb 0.00 -1.45 0.00 0.00 0.00 0.00 0.00 23.12 21.67 1pfn s ALA 5 CO 0.00 -1.38 0.00 0.36 0.00 0.00 0.00 175.76 174.74 1pfn n LYS 6 N 4.82 0.00 0.00 0.00 2.85 -1.26 -5.04 118.16 119.54 1pfn n LYS 6 Ca -0.07 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.19 1pfn n LYS 6 Cb 0.44 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.82 1pfn n LYS 6 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 1pfn n GLU 7 N 0.00 0.00 0.00 -1.58 2.13 -1.26 -4.62 120.64 115.31 1pfn n GLU 7 Ca 0.00 0.07 0.00 0.00 0.66 0.00 0.00 57.16 57.89 1pfn n GLU 7 Cb 0.00 -0.56 0.00 0.00 0.27 0.00 0.00 31.44 31.15 1pfn n GLU 7 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 1pfn n LEU 8 N -2.40 0.00 -0.96 4.31 0.00 -1.26 -2.46 117.00 114.22 1pfn n LEU 8 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 56.01 56.00 1pfn n LEU 8 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 43.42 43.41 1pfn n LEU 8 CO 0.00 0.00 0.22 -1.14 0.00 0.00 0.00 177.39 176.47 1pfn n ARG 9 N 0.00 0.00 -3.95 1.96 0.63 -1.11 -5.05 116.66 109.15 1pfn n ARG 9 Ca 0.00 -1.14 -0.35 0.00 -0.92 0.00 0.00 57.85 55.44 1pfn n ARG 9 Cb 0.00 0.02 -0.14 0.00 0.45 0.00 0.00 32.46 32.79 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 4.76 0.21 -0.44 0.00 -0.06 -1.26 -3.46 117.38 117.12 1pfn n GLN 11 Ca -0.19 0.13 -0.01 0.00 -2.00 0.00 0.00 57.00 54.93 1pfn n GLN 11 Cb 0.50 -1.70 0.15 0.00 -4.06 0.00 0.00 30.24 25.13 1pfn n GLN 11 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1pfn h VAL 13 N 1.35 0.72 -0.49 0.00 -1.51 -1.92 -3.40 116.25 111.00 1pfn h VAL 13 Ca 0.09 -0.22 0.00 0.00 -1.23 0.00 0.00 66.70 65.33 1pfn h VAL 13 Cb 1.36 0.01 0.00 0.00 -2.13 0.00 0.00 31.29 30.53 1pfn h VAL 13 CO 0.30 0.12 0.00 1.17 -1.23 0.00 0.00 177.57 177.93 1pfn n LYS 14 N -4.65 3.57 -3.86 5.19 3.00 -1.26 -5.06 118.16 115.10 1pfn n LYS 14 Ca 0.21 0.00 -0.19 0.00 -0.00 0.00 0.00 58.31 58.34 1pfn n LYS 14 Cb 0.60 0.00 -0.17 0.00 0.00 0.00 0.00 35.03 35.46 1pfn n LYS 14 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 1pfn s THR 15 N 2.18 0.17 -1.28 3.15 2.01 -1.26 -4.82 115.64 115.78 1pfn s THR 15 Ca 0.00 0.15 -0.05 0.00 0.31 0.00 0.00 61.69 62.10 1pfn s THR 15 Cb 0.00 -0.30 0.15 0.00 0.01 0.00 0.00 72.50 72.36 1pfn s THR 15 CO 0.00 0.17 2.28 0.41 -0.69 0.00 0.00 174.62 176.80 1pfn n THR 16 N 4.54 5.36 1.74 -0.82 -1.04 -0.17 -4.65 114.28 119.23 1pfn n THR 16 Ca -0.19 -4.59 0.14 0.00 -2.04 0.00 0.00 64.05 57.38 1pfn n THR 16 Cb 0.50 -2.00 0.83 0.00 -1.82 0.00 0.00 70.33 67.84 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 1.51 0.00 0.27 8.00 7.64 -1.26 -3.61 113.62 126.17 1pfn n SER 17 Ca 0.59 -0.86 0.18 0.00 1.01 0.00 0.00 58.87 59.79 1pfn n SER 17 Cb 0.25 -0.00 0.88 0.00 -1.01 0.00 0.00 64.21 64.33 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 -6.74 1.43 4.20 -1.92 -3.40 115.11 108.68 1pfn h GLN 18 Ca 0.00 0.00 -0.50 0.00 0.06 0.00 0.00 58.65 58.21 1pfn h GLN 18 Cb 0.00 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 1pfn h GLN 18 CO 0.00 0.00 0.08 0.08 -0.67 0.00 0.00 178.83 178.32 1pfn s VAL 19 N -4.31 4.73 0.01 -0.54 1.01 -1.24 -5.08 120.40 115.00 1pfn s VAL 19 Ca -0.04 0.80 0.02 0.00 0.00 0.00 0.00 61.98 62.76 1pfn s VAL 19 Cb 0.12 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.82 1pfn s VAL 19 CO 0.40 -0.28 0.01 -0.13 0.00 0.00 0.00 175.10 175.10 1pfn s ARG 20 N -3.24 2.79 -0.02 2.72 1.81 -1.26 -5.09 118.95 116.66 1pfn s ARG 20 Ca 0.53 -0.63 -0.30 0.00 -1.72 0.00 0.00 55.73 53.61 1pfn s ARG 20 Cb -0.10 -2.67 -0.03 0.00 -0.45 0.00 0.00 34.95 31.70 1pfn s ARG 20 CO 0.22 0.61 0.99 -1.25 -0.68 0.00 0.00 175.30 175.20 1pfn s PRO 21 N -1.69 4.53 0.00 3.54 0.04 -1.26 -4.65 135.00 135.50 1pfn s PRO 21 Ca 0.21 1.42 0.00 0.00 0.04 0.00 0.00 61.00 62.67 1pfn s PRO 21 Cb -0.12 -3.47 0.00 0.00 0.04 0.00 0.00 34.50 30.95 1pfn s PRO 21 CO 0.12 -0.11 0.00 -2.13 0.04 0.00 0.00 177.00 174.92 1pfn n ARG 22 N 4.13 0.00 -0.86 4.56 0.00 -1.26 -4.93 116.66 118.30 1pfn n ARG 22 Ca 0.07 0.00 -0.09 0.00 -0.00 0.00 0.00 57.85 57.83 1pfn n ARG 22 Cb 0.50 0.00 0.22 0.00 0.00 0.00 0.00 32.46 33.18 1pfn n ARG 22 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 1pfn n HIS 23 N 0.00 2.10 -0.49 -0.14 -0.00 -1.26 -4.97 115.22 110.46 1pfn n HIS 23 Ca 0.00 -1.15 -0.28 0.00 -0.00 0.00 0.00 57.72 56.29 1pfn n HIS 23 Cb 0.00 -0.65 0.27 0.00 -0.00 0.00 0.00 29.99 29.61 1pfn n HIS 23 CO 0.00 0.00 0.00 -1.50 -0.00 0.00 0.00 176.34 174.84 1pfn s ILE 24 N -2.51 1.97 0.00 1.59 1.10 -1.26 -0.34 121.20 121.75 1pfn s ILE 24 Ca 0.44 0.00 0.00 0.00 -0.51 0.00 0.00 60.65 60.58 1pfn s ILE 24 Cb 0.36 -2.03 0.00 0.00 0.15 0.00 0.00 42.46 40.94 1pfn s ILE 24 CO 0.10 0.00 0.00 1.07 -2.11 0.00 0.00 174.94 174.00 1pfn n THR 25 N -5.06 0.00 -3.55 4.00 5.66 -0.78 -4.33 114.28 110.21 1pfn n THR 25 Ca 0.03 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.94 1pfn n THR 25 Cb 0.54 -0.47 -0.03 0.00 -1.55 0.00 0.00 70.33 68.82 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 -4.06 -0.34 -0.11 1.09 0.01 -1.16 -5.04 113.70 104.09 1pfn s SER 26 Ca 0.00 0.17 -0.09 0.00 1.31 0.00 0.00 55.95 57.34 1pfn s SER 26 Cb 0.00 0.32 0.03 0.00 0.21 0.00 0.00 66.02 66.58 1pfn s SER 26 CO 0.00 -0.46 0.28 -1.48 0.41 0.00 0.00 173.24 172.00 1pfn s LEU 27 N -1.85 0.83 0.49 2.44 0.05 -1.26 0.68 118.68 120.05 1pfn s LEU 27 Ca 0.03 0.58 0.05 0.00 0.05 0.00 0.00 54.13 54.83 1pfn s LEU 27 Cb -0.01 0.96 0.03 0.00 -2.05 0.00 0.00 46.19 45.12 1pfn s LEU 27 CO -0.04 -0.11 0.69 -1.83 -0.55 0.00 0.00 176.35 174.51 1pfn s GLU 28 N 0.31 2.65 -0.25 1.48 -1.05 0.01 -4.93 118.70 116.91 1pfn s GLU 28 Ca -0.01 -1.03 -0.04 0.00 -0.15 0.00 0.00 54.97 53.73 1pfn s GLU 28 Cb -0.03 -2.62 0.14 0.00 -0.44 0.00 0.00 34.13 31.18 1pfn s GLU 28 CO -0.01 -0.53 0.47 0.08 0.95 0.00 0.00 175.26 176.22 1pfn s VAL 29 N -2.58 -0.75 0.00 1.83 1.01 -1.26 -1.66 120.40 116.99 1pfn s VAL 29 Ca 0.57 0.01 0.01 0.00 0.00 0.00 0.00 61.98 62.56 1pfn s VAL 29 Cb -0.10 -0.84 -0.04 0.00 0.00 0.00 0.00 36.38 35.40 1pfn s VAL 29 CO 0.36 -0.03 0.04 0.27 0.00 0.00 0.00 175.10 175.74 1pfn s ILE 30 N 2.67 4.45 0.03 2.22 -5.25 -0.42 -4.98 121.20 119.93 1pfn s ILE 30 Ca 0.09 -0.51 -0.01 0.00 -0.99 0.00 0.00 60.65 59.23 1pfn s ILE 30 Cb -0.14 -3.02 0.01 0.00 2.95 0.00 0.00 42.46 42.26 1pfn s ILE 30 CO -0.17 0.35 0.05 1.17 -1.79 0.00 0.00 174.94 174.55 1pfn n LYS 31 N 1.25 -0.04 -2.51 0.37 4.81 -1.26 -2.55 118.16 118.24 1pfn n LYS 31 Ca -0.14 -0.07 -0.41 0.00 -0.87 0.00 0.00 58.31 56.83 1pfn n LYS 31 Cb 0.53 -0.05 -0.01 0.00 0.02 0.00 0.00 35.03 35.52 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 -3.99 3.02 1.00 3.14 0.00 -1.23 -4.41 121.76 119.29 1pfn s ALA 32 Ca 0.03 -2.70 0.00 0.00 0.00 0.00 0.00 51.96 49.29 1pfn s ALA 32 Cb -0.00 -4.63 0.00 0.00 0.00 0.00 0.00 23.12 18.49 1pfn s ALA 32 CO 0.02 -3.59 0.00 0.41 0.00 0.00 0.00 175.76 172.59 1pfn n GLY 33 N 5.72 -0.19 0.00 0.00 0.00 0.55 -4.59 105.19 106.68 1pfn n GLY 33 Ca 0.46 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 45.11 1pfn n GLY 33 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1pfn n PRO 34 N 0.00 0.00 0.22 1.61 -0.04 -1.26 -2.78 135.00 132.75 1pfn n PRO 34 Ca 0.00 0.17 0.18 0.00 -0.04 0.00 0.00 63.50 63.81 1pfn n PRO 34 Cb 0.00 -0.73 0.85 0.00 -0.04 0.00 0.00 33.50 33.57 1pfn n PRO 34 CO 0.00 0.00 0.00 1.12 -0.04 0.00 0.00 175.50 176.58 1pfn h HIS 35 N 0.00 0.00 -2.94 0.54 2.07 -1.95 -2.85 115.15 110.01 1pfn h HIS 35 Ca 0.00 0.00 -0.68 0.00 -2.85 0.00 0.00 60.37 56.84 1pfn h HIS 35 Cb 0.00 0.00 -0.37 0.00 2.57 0.00 0.00 27.41 29.61 1pfn h HIS 35 CO 0.01 0.00 -0.19 0.00 -3.07 0.00 0.00 177.93 174.68 1pfn h PRO 37 N 5.35 0.00 -6.84 0.00 0.13 -1.32 1.62 132.00 130.93 1pfn h PRO 37 Ca 0.17 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.85 1pfn h PRO 37 Cb 0.74 0.00 0.04 0.00 0.13 0.00 0.00 31.00 31.91 1pfn h PRO 37 CO 0.89 0.09 -0.01 -0.08 -0.23 0.00 0.00 178.00 178.65 1pfn s THR 38 N -3.77 3.45 -0.10 1.56 -1.32 -1.26 -4.60 115.64 109.59 1pfn s THR 38 Ca -0.00 -0.45 -0.24 0.00 -1.21 0.00 0.00 61.69 59.79 1pfn s THR 38 Cb 0.10 -3.31 -0.03 0.00 -1.51 0.00 0.00 72.50 67.76 1pfn s THR 38 CO 0.57 -0.24 0.76 0.00 -2.21 0.00 0.00 174.62 173.50 1pfn s ALA 39 N -2.73 3.39 0.07 11.08 0.00 -1.26 -3.58 121.76 128.73 1pfn s ALA 39 Ca 0.53 0.10 0.02 0.00 0.00 0.00 0.00 51.96 52.61 1pfn s ALA 39 Cb -0.10 -3.07 -0.03 0.00 0.00 0.00 0.00 23.12 19.91 1pfn s ALA 39 CO 0.40 -0.32 -0.08 1.14 0.00 0.00 0.00 175.76 176.90 1pfn s GLN 40 N 1.33 0.66 -0.00 0.00 -2.07 -1.06 -4.81 119.66 113.71 1pfn s GLN 40 Ca 0.38 -0.99 -0.00 0.00 -1.82 0.00 0.00 55.36 52.93 1pfn s GLN 40 Cb -0.17 -0.29 0.00 0.00 -1.09 0.00 0.00 33.01 31.46 1pfn s GLN 40 CO 0.16 0.03 0.01 -0.48 -1.32 0.00 0.00 175.29 173.69 1pfn s LEU 41 N -2.16 1.98 0.38 2.60 2.34 -1.25 -1.30 118.68 121.26 1pfn s LEU 41 Ca -0.01 0.01 0.08 0.00 0.06 0.00 0.00 54.13 54.27 1pfn s LEU 41 Cb -0.04 0.02 -0.04 0.00 -0.56 0.00 0.00 46.19 45.57 1pfn s LEU 41 CO -0.01 -0.00 0.18 -0.63 -1.06 0.00 0.00 176.35 174.82 1pfn s ILE 42 N 0.00 2.70 0.33 1.48 -1.09 -0.67 -2.32 121.20 121.63 1pfn s ILE 42 Ca -0.00 -1.66 0.05 0.00 -2.23 0.00 0.00 60.65 56.81 1pfn s ILE 42 Cb -0.00 -2.98 -0.02 0.00 -1.58 0.00 0.00 42.46 37.88 1pfn s ILE 42 CO 0.00 -0.09 0.32 0.00 -1.23 0.00 0.00 174.94 173.94 1pfn n ALA 43 N -1.22 0.45 -3.12 9.38 0.00 -0.73 -0.81 120.51 124.45 1pfn n ALA 43 Ca -0.02 -1.81 -0.13 0.00 0.00 0.00 0.00 53.44 51.49 1pfn n ALA 43 Cb 0.63 1.46 -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 -3.19 0.00 0.21 0.00 2.01 0.21 -3.12 115.64 111.77 1pfn s THR 44 Ca 0.36 -0.02 0.03 0.00 0.31 0.00 0.00 61.69 62.37 1pfn s THR 44 Cb 0.01 -0.34 0.03 0.00 0.01 0.00 0.00 72.50 72.22 1pfn s THR 44 CO 0.26 -0.01 0.27 0.18 -0.69 0.00 0.00 174.62 174.62 1pfn n LEU 45 N 2.89 0.00 0.12 4.42 4.32 -1.11 -1.87 117.00 125.77 1pfn n LEU 45 Ca -0.13 -0.95 -0.03 0.00 -0.02 0.00 0.00 56.01 54.88 1pfn n LEU 45 Cb 0.58 -0.13 0.12 0.00 -1.62 0.00 0.00 43.42 42.38 1pfn n LEU 45 CO 0.19 -0.54 0.45 0.07 -1.22 0.00 0.00 177.39 176.33 1pfn h LYS 46 N 0.00 0.06 -5.10 3.23 2.10 -0.88 -3.31 116.57 112.68 1pfn h LYS 46 Ca -0.11 -0.05 -0.67 0.00 -2.00 0.00 0.00 60.65 57.82 1pfn h LYS 46 Cb 0.46 0.01 -0.17 0.00 -0.90 0.00 0.00 32.23 31.63 1pfn h LYS 46 CO 0.15 0.70 0.66 -0.80 -2.00 0.00 0.00 179.45 178.16 1pfn s ASN 47 N -6.85 6.44 -0.02 7.07 0.01 -1.26 -4.85 114.94 115.47 1pfn s ASN 47 Ca -0.02 -1.66 -0.00 0.00 -0.71 0.00 0.00 52.86 50.47 1pfn s ASN 47 Cb 0.12 -2.39 -0.01 0.00 0.41 0.00 0.00 41.25 39.38 1pfn s ASN 47 CO 0.78 -1.18 0.56 0.61 -1.51 0.00 0.00 177.10 176.36 1pfn n GLY 48 N 5.40 -0.01 3.41 0.66 0.00 -1.24 -4.76 105.19 108.65 1pfn n GLY 48 Ca 0.11 -0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.88 1pfn n GLY 48 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1pfn n ARG 49 N 2.46 0.55 -3.68 1.61 1.85 -1.26 -4.95 116.66 113.23 1pfn n ARG 49 Ca 0.01 -3.51 -0.09 0.00 -1.00 0.00 0.00 57.85 53.25 1pfn n ARG 49 Cb 0.27 2.05 -0.10 0.00 -1.05 0.00 0.00 32.46 33.63 1pfn n ARG 49 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 1pfn s LYS 50 N -3.56 0.41 0.00 2.89 3.01 -1.26 -2.75 119.74 118.48 1pfn s LYS 50 Ca 0.24 0.91 0.00 0.00 -1.01 0.00 0.00 55.97 56.11 1pfn s LYS 50 Cb 0.01 0.10 0.00 0.00 -1.01 0.00 0.00 37.83 36.93 1pfn s LYS 50 CO 0.17 -0.18 0.00 0.44 0.51 0.00 0.00 175.35 176.29 1pfn n ILE 51 N 4.57 0.00 -3.60 2.17 -6.64 -1.18 -4.90 119.36 109.77 1pfn n ILE 51 Ca -0.19 0.00 -0.10 0.00 -1.77 0.00 0.00 62.75 60.69 1pfn n ILE 51 Cb 0.54 0.00 -0.06 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 1.39 0.00 0.00 0.00 4.77 -0.98 -1.00 117.00 121.18 1pfn n LEU 53 Ca -0.11 -1.09 0.00 0.00 -0.03 0.00 0.00 56.01 54.78 1pfn n LEU 53 Cb 0.57 0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.89 1pfn n LEU 53 CO 0.10 -0.16 0.00 -0.67 -1.33 0.00 0.00 177.39 175.33 1pfn n ASP 54 N -1.47 0.00 -0.06 -1.43 2.03 -1.26 -3.94 116.55 110.41 1pfn n ASP 54 Ca -0.05 -0.99 0.01 0.00 0.52 0.00 0.00 54.79 54.29 1pfn n ASP 54 Cb 0.22 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 40.63 1pfn n ASP 54 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 1pfn n LEU 55 N 0.00 1.16 0.00 -2.67 0.00 -1.26 -4.80 117.00 109.43 1pfn n LEU 55 Ca 0.00 -1.36 0.00 0.00 0.00 0.00 0.00 56.01 54.65 1pfn n LEU 55 Cb 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 43.42 43.36 1pfn n LEU 55 CO 0.00 0.33 0.00 0.00 0.00 0.00 0.00 177.39 177.72 1pfn n GLN 56 N -0.40 0.00 -1.14 1.96 1.13 -1.26 -5.03 117.38 112.65 1pfn n GLN 56 Ca 0.02 0.00 -0.05 0.00 -1.94 0.00 0.00 57.00 55.04 1pfn n GLN 56 Cb 0.43 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.76 1pfn n GLN 56 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1pfn n ALA 57 N -3.00 2.27 -1.00 -1.58 0.00 -1.26 -4.92 120.51 111.01 1pfn n ALA 57 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 52.89 1pfn n ALA 57 Cb 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 19.45 19.06 1pfn n ALA 57 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1pfn n PRO 58 N -0.20 0.00 -0.01 0.00 -0.04 -1.26 -4.66 135.00 128.83 1pfn n PRO 58 Ca -0.19 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.35 1pfn n PRO 58 Cb 0.62 -0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.95 1pfn n PRO 58 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 1pfn n LEU 59 N 0.00 0.11 0.29 1.53 -0.00 -1.26 -4.21 117.00 113.45 1pfn n LEU 59 Ca 0.00 -0.07 0.17 0.00 -0.00 0.00 0.00 56.01 56.11 1pfn n LEU 59 Cb 0.00 0.00 0.84 0.00 -0.00 0.00 0.00 43.42 44.26 1pfn n LEU 59 CO 0.00 0.03 1.04 0.10 -0.00 0.00 0.00 177.39 178.55 1pfn h TYR 60 N 0.00 0.00 -0.00 1.47 -0.00 -1.89 0.02 116.97 116.58 1pfn h TYR 60 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 58.73 58.59 1pfn h TYR 60 Cb 0.71 0.00 -0.02 0.00 -0.00 0.00 0.00 36.73 37.42 1pfn h TYR 60 CO 0.00 0.05 -0.67 1.57 -0.00 0.00 0.00 178.16 179.11 1pfn h LYS 61 N 0.00 0.01 0.00 0.10 2.10 -1.83 -1.55 116.57 115.39 1pfn h LYS 61 Ca -0.00 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 1pfn h LYS 61 Cb 0.32 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.65 1pfn h LYS 61 CO 0.01 0.68 0.00 0.87 -2.00 0.00 0.00 179.45 179.00 1pfn h LYS 62 N 0.01 0.00 0.06 0.07 1.57 -1.21 -1.21 116.57 115.86 1pfn h LYS 62 Ca -0.01 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1pfn h LYS 62 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.50 1pfn h LYS 62 CO 0.09 0.00 -0.03 0.82 -0.57 0.00 0.00 179.45 179.76 1pfn h ILE 63 N 0.00 0.42 -0.81 1.86 2.04 -0.92 -1.28 117.51 118.83 1pfn h ILE 63 Ca 0.00 -1.22 0.04 0.00 1.00 0.00 0.00 64.86 64.68 1pfn h ILE 63 Cb 0.61 0.77 -0.05 0.00 -0.74 0.00 0.00 36.82 37.41 1pfn h ILE 63 CO 0.00 0.13 0.51 0.40 0.00 0.00 0.00 178.15 179.19 1pfn h ILE 64 N -1.00 1.11 -0.64 -0.67 2.04 -1.37 -0.37 117.51 116.60 1pfn h ILE 64 Ca -0.01 -0.34 -0.07 0.00 1.00 0.00 0.00 64.86 65.44 1pfn h ILE 64 Cb 0.29 0.04 -0.03 0.00 -0.74 0.00 0.00 36.82 36.38 1pfn h ILE 64 CO 0.01 0.18 0.12 0.11 0.00 0.00 0.00 178.15 178.57 1pfn h LYS 65 N 0.98 1.04 0.00 2.37 1.79 -1.33 -0.71 116.57 120.72 1pfn h LYS 65 Ca 0.33 -0.27 0.00 0.00 -2.18 0.00 0.00 60.65 58.53 1pfn h LYS 65 Cb 0.04 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 30.56 1pfn h LYS 65 CO -0.12 0.96 0.00 0.87 -1.08 0.00 0.00 179.45 180.07 1pfn h LYS 66 N 0.96 0.00 0.00 3.15 1.57 -0.10 -1.86 116.57 120.29 1pfn h LYS 66 Ca 0.20 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.69 1pfn h LYS 66 Cb 0.41 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.67 1pfn h LYS 66 CO 0.01 0.00 -1.67 -0.07 -0.57 0.00 0.00 179.45 177.15 1pfn h LEU 67 N 0.00 0.00 -0.54 2.94 3.38 0.29 -3.33 115.31 118.05 1pfn h LEU 67 Ca 0.00 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.81 1pfn h LEU 67 Cb 0.25 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1pfn h LEU 67 CO 0.00 1.00 -0.65 -0.07 0.09 0.00 0.00 178.44 178.81 1pfn h LEU 68 N 0.00 0.39 -1.52 1.67 3.38 -0.48 -3.03 115.31 115.72 1pfn h LEU 68 Ca -0.27 -0.23 0.34 0.00 0.09 0.00 0.00 57.88 57.80 1pfn h LEU 68 Cb 2.00 -0.11 -0.09 0.00 0.09 0.00 0.00 40.66 42.54 1pfn h LEU 68 CO 0.08 0.93 0.78 -0.33 0.09 0.00 0.00 178.44 179.99 1pfn h GLU 69 N 0.24 0.21 0.00 1.13 5.08 -1.48 -3.52 114.58 116.25 1pfn h GLU 69 Ca -0.01 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1pfn h GLU 69 Cb 1.18 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.39 1pfn h GLU 69 CO 0.11 0.14 0.00 0.45 -1.00 0.00 0.00 179.01 178.71