#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ufn s SER 2 N 0.00 7.16 -0.26 1.61 1.04 -1.26 -5.02 113.70 116.96 1ufn s SER 2 Ca 0.00 2.10 0.03 0.00 0.48 0.00 0.00 55.95 58.56 1ufn s SER 2 Cb 0.00 -2.60 0.06 0.00 0.10 0.00 0.00 66.02 63.58 1ufn s SER 2 CO 0.00 -0.34 -0.11 -0.44 0.98 0.00 0.00 173.24 173.33 1ufn s SER 3 N 0.34 4.42 0.00 7.02 0.01 -1.26 -4.89 113.70 119.34 1ufn s SER 3 Ca 0.53 -1.39 0.00 0.00 1.31 0.00 0.00 55.95 56.41 1ufn s SER 3 Cb -0.30 -1.54 0.00 0.00 0.21 0.00 0.00 66.02 64.39 1ufn s SER 3 CO 0.34 -0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.41 1ufn n GLY 4 N 4.44 1.59 2.96 3.44 0.00 -1.26 -5.05 105.19 111.30 1ufn n GLY 4 Ca -0.14 -0.52 -0.15 0.00 0.00 0.00 0.00 46.02 45.21 1ufn n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ufn s SER 5 N -4.00 0.56 0.01 1.61 1.04 -1.26 -5.12 113.70 106.54 1ufn s SER 5 Ca 0.00 -0.11 -0.30 0.00 0.48 0.00 0.00 55.95 56.02 1ufn s SER 5 Cb 0.00 -0.06 -0.06 0.00 0.10 0.00 0.00 66.02 66.01 1ufn s SER 5 CO 0.00 0.04 1.42 -0.44 0.98 0.00 0.00 173.24 175.24 1ufn s SER 6 N -0.19 6.83 0.00 7.02 0.01 -1.26 -4.07 113.70 122.04 1ufn s SER 6 Ca 0.01 2.14 0.00 0.00 1.31 0.00 0.00 55.95 59.41 1ufn s SER 6 Cb -0.02 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.65 1ufn s SER 6 CO -0.00 -0.73 0.00 0.61 0.41 0.00 0.00 173.24 173.53 1ufn n GLY 7 N 3.67 0.90 3.71 3.44 0.00 -1.26 -5.08 105.19 110.58 1ufn n GLY 7 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1ufn n GLY 7 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ufn n ASN 8 N 0.00 3.98 -4.77 1.61 5.15 -1.26 -4.94 115.26 115.04 1ufn n ASN 8 Ca 0.00 1.05 -0.39 0.00 -0.60 0.00 0.00 54.58 54.65 1ufn n ASN 8 Cb 0.00 -1.57 -0.00 0.00 -0.53 0.00 0.00 39.78 37.68 1ufn n ASN 8 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 1ufn s ASP 9 N 1.31 6.21 0.10 1.20 1.11 -1.26 -5.04 116.67 120.31 1ufn s ASP 9 Ca 0.76 2.57 0.07 0.00 0.18 0.00 0.00 52.55 56.13 1ufn s ASP 9 Cb -0.51 -2.63 -0.03 0.00 1.07 0.00 0.00 42.92 40.82 1ufn s ASP 9 CO 0.33 -0.91 -0.18 0.00 1.18 0.00 0.00 175.17 175.59 1ufn s ALA 10 N -1.33 1.61 -0.02 5.23 0.00 -1.26 -5.04 121.76 120.94 1ufn s ALA 10 Ca 0.59 -1.21 0.12 0.00 0.00 0.00 0.00 51.96 51.46 1ufn s ALA 10 Cb -0.36 -0.17 -0.15 0.00 0.00 0.00 0.00 23.12 22.44 1ufn s ALA 10 CO 0.45 0.25 1.03 -0.39 0.00 0.00 0.00 175.76 177.11 1ufn h VAL 11 N 3.96 1.07 -0.97 0.00 -1.51 -2.06 -3.33 116.25 113.39 1ufn h VAL 11 Ca -0.43 -2.72 0.29 0.00 -1.23 0.00 0.00 66.70 62.60 1ufn h VAL 11 Cb 1.19 2.49 -0.14 0.00 -2.13 0.00 0.00 31.29 32.69 1ufn h VAL 11 CO 0.43 0.61 0.50 -2.24 -1.23 0.00 0.00 177.57 175.63 1ufn h ASP 12 N 0.00 0.43 -4.42 4.19 3.04 -2.03 -3.44 116.42 114.19 1ufn h ASP 12 Ca -0.12 0.18 -0.32 0.00 -3.24 0.00 0.00 57.03 53.53 1ufn h ASP 12 Cb 1.74 0.15 -0.02 0.00 -1.04 0.00 0.00 39.33 40.15 1ufn h ASP 12 CO 0.09 -0.09 -0.45 0.49 -2.04 0.00 0.00 179.24 177.24 1ufn n PHE 13 N -5.06 -1.60 0.11 4.15 3.01 -1.25 -4.86 117.46 111.95 1ufn n PHE 13 Ca 0.28 0.23 -0.13 0.00 1.01 0.00 0.00 57.45 58.84 1ufn n PHE 13 Cb 0.87 -3.12 -0.08 0.00 -0.01 0.00 0.00 39.48 37.14 1ufn n PHE 13 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1ufn h SER 14 N -0.52 -0.23 0.05 4.37 0.87 -1.93 -2.71 113.55 113.46 1ufn h SER 14 Ca -0.38 -0.18 0.00 0.00 -1.23 0.00 0.00 61.79 60.00 1ufn h SER 14 Cb 1.27 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 63.29 1ufn h SER 14 CO 0.45 0.06 0.00 -0.81 -0.53 0.00 0.00 176.83 176.00 1ufn n PRO 15 N -5.10 0.44 -4.92 2.24 -0.04 -1.26 -4.68 135.00 121.68 1ufn n PRO 15 Ca -0.09 0.03 -0.29 0.00 -0.04 0.00 0.00 63.50 63.10 1ufn n PRO 15 Cb 0.21 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.02 1ufn n PRO 15 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1ufn s THR 16 N -2.11 2.02 -0.00 0.52 -4.23 -1.02 -1.19 115.64 109.64 1ufn s THR 16 Ca 0.22 -1.30 0.02 0.00 -1.18 0.00 0.00 61.69 59.45 1ufn s THR 16 Cb 0.11 -1.73 -0.01 0.00 1.34 0.00 0.00 72.50 72.21 1ufn s THR 16 CO 0.19 0.37 -0.07 -0.76 -0.54 0.00 0.00 174.62 173.81 1ufn s LEU 17 N -1.11 2.03 -0.20 4.79 1.43 -0.09 -4.89 118.68 120.64 1ufn s LEU 17 Ca 0.11 -0.16 -0.29 0.00 -1.03 0.00 0.00 54.13 52.76 1ufn s LEU 17 Cb -0.10 -0.33 -0.03 0.00 0.03 0.00 0.00 46.19 45.77 1ufn s LEU 17 CO 0.01 0.06 1.60 -2.16 0.23 0.00 0.00 176.35 176.09 1ufn s PRO 18 N -0.28 3.86 0.22 1.29 0.04 -1.26 -1.09 135.00 137.78 1ufn s PRO 18 Ca 0.02 1.71 0.11 0.00 0.04 0.00 0.00 61.00 62.88 1ufn s PRO 18 Cb -0.03 -4.02 -0.05 0.00 0.04 0.00 0.00 34.50 30.45 1ufn s PRO 18 CO -0.00 -1.22 -0.20 0.14 0.04 0.00 0.00 177.00 175.76 1ufn s VAL 19 N 4.99 2.53 -0.21 -0.36 -7.23 -1.14 -3.44 120.40 115.55 1ufn s VAL 19 Ca 0.71 -2.10 -0.14 0.00 -1.81 0.00 0.00 61.98 58.64 1ufn s VAL 19 Cb -0.25 -2.26 0.06 0.00 0.56 0.00 0.00 36.38 34.49 1ufn s VAL 19 CO 0.28 -0.21 0.53 0.42 -0.31 0.00 0.00 175.10 175.81 1ufn s THR 20 N -1.95 -0.01 -0.24 5.32 -4.23 -0.18 -2.20 115.64 112.15 1ufn s THR 20 Ca 0.24 0.04 -0.01 0.00 -1.18 0.00 0.00 61.69 60.79 1ufn s THR 20 Cb -0.07 -0.76 0.07 0.00 1.34 0.00 0.00 72.50 73.08 1ufn s THR 20 CO 0.12 0.02 0.02 0.00 -0.54 0.00 0.00 174.62 174.24 1ufn n GLY 22 N 4.86 0.98 0.86 0.00 0.00 -1.26 -0.65 105.19 109.98 1ufn n GLY 22 Ca -0.08 0.45 0.07 0.00 0.00 0.00 0.00 46.02 46.45 1ufn n GLY 22 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1ufn n LYS 23 N 0.00 3.00 -4.56 1.61 -0.00 -1.26 -4.97 118.16 111.97 1ufn n LYS 23 Ca 0.00 -2.41 -0.33 0.00 -0.00 0.00 0.00 58.31 55.58 1ufn n LYS 23 Cb 0.00 -1.52 -0.11 0.00 -0.00 0.00 0.00 35.03 33.40 1ufn n LYS 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1ufn s ALA 24 N -1.63 2.94 -0.02 0.58 0.00 0.18 -4.94 121.76 118.87 1ufn s ALA 24 Ca 0.33 -1.00 0.02 0.00 0.00 0.00 0.00 51.96 51.31 1ufn s ALA 24 Cb 0.22 -1.11 0.01 0.00 0.00 0.00 0.00 23.12 22.23 1ufn s ALA 24 CO 0.15 0.60 -0.06 0.15 0.00 0.00 0.00 175.76 176.60 1ufn s LYS 25 N -1.20 0.69 0.00 0.00 1.02 -1.26 -0.76 119.74 118.23 1ufn s LYS 25 Ca 0.15 -0.18 0.00 0.00 0.02 0.00 0.00 55.97 55.96 1ufn s LYS 25 Cb -0.11 -0.68 0.00 0.00 -0.52 0.00 0.00 37.83 36.52 1ufn s LYS 25 CO 0.05 0.04 0.00 0.41 -0.92 0.00 0.00 175.35 174.93 1ufn n GLY 26 N 3.45 3.72 3.01 -3.33 0.00 -0.93 -3.99 105.19 107.11 1ufn n GLY 26 Ca -0.19 -0.69 -0.13 0.00 0.00 0.00 0.00 46.02 45.01 1ufn n GLY 26 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ufn s THR 27 N -1.15 -0.20 0.02 2.61 2.01 -0.78 -2.87 115.64 115.28 1ufn s THR 27 Ca 0.00 0.22 -0.22 0.00 0.31 0.00 0.00 61.69 62.00 1ufn s THR 27 Cb 0.00 -0.39 -0.06 0.00 0.01 0.00 0.00 72.50 72.07 1ufn s THR 27 CO 0.00 0.09 0.64 -0.22 -0.69 0.00 0.00 174.62 174.44 1ufn s LEU 28 N 1.77 4.44 -0.39 4.42 2.96 -0.25 -1.32 118.68 130.31 1ufn s LEU 28 Ca -0.04 1.26 -0.03 0.00 -0.22 0.00 0.00 54.13 55.10 1ufn s LEU 28 Cb -0.11 -3.01 0.10 0.00 0.50 0.00 0.00 46.19 43.67 1ufn s LEU 28 CO -0.08 0.10 0.17 -0.36 -1.32 0.00 0.00 176.35 174.86 1ufn s PHE 29 N -0.28 3.53 0.55 5.38 0.40 -1.17 -0.91 117.98 125.47 1ufn s PHE 29 Ca 0.33 -2.30 0.40 0.00 -0.60 0.00 0.00 56.93 54.76 1ufn s PHE 29 Cb -0.19 -3.01 1.60 0.00 0.51 0.00 0.00 43.02 41.93 1ufn s PHE 29 CO 0.19 -0.94 1.75 1.96 0.70 0.00 0.00 175.22 178.89 1ufn h GLN 30 N 8.04 0.00 -0.30 0.44 4.20 -1.52 0.73 115.11 126.71 1ufn h GLN 30 Ca -0.15 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.43 1ufn h GLN 30 Cb 1.05 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.83 1ufn h GLN 30 CO 0.67 0.00 -0.33 1.49 -0.67 0.00 0.00 178.83 179.99 1ufn h GLU 31 N 0.00 0.75 -0.00 1.46 4.81 -1.93 0.33 114.58 119.99 1ufn h GLU 31 Ca 0.65 -0.41 0.00 0.00 -0.13 0.00 0.00 59.36 59.47 1ufn h GLU 31 Cb 2.63 0.02 0.00 0.00 0.63 0.00 0.00 28.75 32.03 1ufn h GLU 31 CO -0.01 1.03 -0.29 1.63 -0.73 0.00 0.00 179.01 180.64 1ufn n LYS 32 N -4.21 0.31 -0.11 1.92 5.02 0.21 -3.93 118.16 117.36 1ufn n LYS 32 Ca -0.04 -0.15 -0.21 0.00 -2.02 0.00 0.00 58.31 55.89 1ufn n LYS 32 Cb 0.50 -1.50 -0.12 0.00 -0.02 0.00 0.00 35.03 33.89 1ufn n LYS 32 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1ufn n LEU 33 N -1.22 2.64 -0.27 -0.35 7.94 0.14 -4.22 117.00 121.66 1ufn n LEU 33 Ca 0.09 0.05 0.13 0.00 -1.11 0.00 0.00 56.01 55.17 1ufn n LEU 33 Cb 0.33 -0.92 0.40 0.00 0.53 0.00 0.00 43.42 43.75 1ufn n LEU 33 CO 0.30 0.81 1.22 0.07 -1.11 0.00 0.00 177.39 178.67 1ufn h LYS 34 N -0.27 0.63 -0.31 1.96 2.10 -0.48 -1.12 116.57 119.07 1ufn h LYS 34 Ca -0.57 -0.04 -0.01 0.00 -2.00 0.00 0.00 60.65 58.03 1ufn h LYS 34 Cb 1.82 -0.14 -0.01 0.00 -0.90 0.00 0.00 32.23 33.00 1ufn h LYS 34 CO -0.15 0.41 0.14 1.96 -2.00 0.00 0.00 179.45 179.82 1ufn h GLN 35 N 0.64 0.45 0.00 0.07 4.20 -1.76 -3.44 115.11 115.27 1ufn h GLN 35 Ca 0.46 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 59.10 1ufn h GLN 35 Cb 0.82 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.52 1ufn h GLN 35 CO -0.22 0.43 0.00 0.41 -0.67 0.00 0.00 178.83 178.78 1ufn n GLY 36 N -0.83 0.95 0.37 3.46 0.00 -0.43 -5.00 105.19 103.71 1ufn n GLY 36 Ca -0.02 0.56 0.29 0.00 0.00 0.00 0.00 46.02 46.85 1ufn n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ufn h ALA 37 N 0.00 2.21 -0.80 4.61 0.00 -1.85 0.94 119.26 124.36 1ufn h ALA 37 Ca 0.00 0.18 0.05 0.00 0.00 0.00 0.00 54.91 55.14 1ufn h ALA 37 Cb 0.00 0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 1ufn h ALA 37 CO 0.00 -0.84 0.53 0.77 0.00 0.00 0.00 179.25 179.70 1ufn h SER 38 N 0.21 0.80 -3.52 0.00 0.02 -1.93 -2.69 113.55 106.45 1ufn h SER 38 Ca 0.77 -0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 61.19 1ufn h SER 38 Cb 1.99 -0.18 0.07 0.00 0.14 0.00 0.00 62.40 64.43 1ufn h SER 38 CO -0.57 0.53 0.79 -0.54 -1.14 0.00 0.00 176.83 175.90 1ufn s LYS 39 N -5.80 4.20 -0.33 3.45 -0.14 0.32 -4.55 119.74 116.89 1ufn s LYS 39 Ca -0.11 2.43 -0.27 0.00 -1.36 0.00 0.00 55.97 56.66 1ufn s LYS 39 Cb 0.19 -3.05 -0.05 0.00 -1.68 0.00 0.00 37.83 33.24 1ufn s LYS 39 CO 0.78 -0.48 2.25 0.15 -0.76 0.00 0.00 175.35 177.29 1ufn s LYS 40 N -0.87 2.78 -0.02 1.68 -0.14 -1.26 -4.44 119.74 117.47 1ufn s LYS 40 Ca 0.58 1.74 0.02 0.00 -1.36 0.00 0.00 55.97 56.96 1ufn s LYS 40 Cb -0.44 -4.43 -0.03 0.00 -1.68 0.00 0.00 37.83 31.25 1ufn s LYS 40 CO 0.49 -2.51 0.01 0.00 -0.76 0.00 0.00 175.35 172.59 1ufn s ILE 42 N -2.07 4.31 -0.30 0.00 1.01 -0.84 -3.04 121.20 120.27 1ufn s ILE 42 Ca -0.01 0.98 -0.17 0.00 0.00 0.00 0.00 60.65 61.45 1ufn s ILE 42 Cb 0.01 -4.54 -0.02 0.00 0.01 0.00 0.00 42.46 37.91 1ufn s ILE 42 CO 0.08 -0.96 0.44 -1.58 0.00 0.00 0.00 174.94 172.92 1ufn s GLN 43 N 4.19 3.86 1.08 2.79 0.74 -0.44 0.12 119.66 132.01 1ufn s GLN 43 Ca 0.43 -0.01 -0.17 0.00 0.05 0.00 0.00 55.36 55.66 1ufn s GLN 43 Cb -0.08 -3.72 0.24 0.00 1.10 0.00 0.00 33.01 30.55 1ufn s GLN 43 CO 0.29 -0.43 1.19 0.54 -0.55 0.00 0.00 175.29 176.33 1ufn s ASN 44 N 1.67 1.99 0.58 6.67 2.20 -1.00 -1.87 114.94 125.16 1ufn s ASN 44 Ca 0.17 0.54 0.29 0.00 -0.94 0.00 0.00 52.86 52.92 1ufn s ASN 44 Cb -0.16 -0.74 1.78 0.00 -2.00 0.00 0.00 41.25 40.13 1ufn s ASN 44 CO 0.11 -3.46 2.24 -0.33 -2.94 0.00 0.00 177.10 172.72 1ufn h GLU 45 N -2.13 0.00 -0.10 3.55 5.08 -1.90 0.13 114.58 119.20 1ufn h GLU 45 Ca -0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 1ufn h GLU 45 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 1ufn h GLU 45 CO 0.39 0.01 0.00 0.00 -1.00 0.00 0.00 179.01 178.41 1ufn n ALA 46 N -2.32 2.55 0.00 3.43 0.00 -1.26 -4.88 120.51 118.03 1ufn n ALA 46 Ca -0.03 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.05 1ufn n ALA 46 Cb 0.10 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.39 1ufn n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ufn n GLY 47 N 0.98 3.00 3.61 0.00 0.00 0.44 -4.96 105.19 108.27 1ufn n GLY 47 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 1ufn n GLY 47 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ufn s ASP 48 N -1.97 6.02 0.63 1.61 1.11 -1.26 -4.57 116.67 118.25 1ufn s ASP 48 Ca 0.00 1.60 -0.17 0.00 0.18 0.00 0.00 52.55 54.16 1ufn s ASP 48 Cb 0.00 -2.53 -0.01 0.00 1.07 0.00 0.00 42.92 41.45 1ufn s ASP 48 CO 0.00 -1.55 1.19 0.26 1.18 0.00 0.00 175.17 176.24 1ufn s TRP 49 N 6.38 2.36 -0.00 4.23 0.52 -1.26 -2.39 118.94 128.78 1ufn s TRP 49 Ca 0.81 1.54 -0.02 0.00 0.02 0.00 0.00 56.10 58.46 1ufn s TRP 49 Cb -0.26 -3.42 -0.00 0.00 -1.15 0.00 0.00 33.47 28.63 1ufn s TRP 49 CO 0.33 -2.19 0.03 -0.51 0.02 0.00 0.00 176.95 174.63 1ufn s LEU 50 N -4.45 1.92 0.49 2.99 1.43 0.33 -4.91 118.68 116.48 1ufn s LEU 50 Ca 0.75 -0.09 -0.21 0.00 -1.03 0.00 0.00 54.13 53.54 1ufn s LEU 50 Cb -0.28 0.18 -0.07 0.00 0.03 0.00 0.00 46.19 46.05 1ufn s LEU 50 CO 0.37 -0.12 1.14 0.42 0.23 0.00 0.00 176.35 178.39 1ufn s THR 51 N -0.48 3.21 0.60 5.49 -4.23 -1.26 -1.99 115.64 116.98 1ufn s THR 51 Ca -0.05 0.83 0.24 0.00 -1.18 0.00 0.00 61.69 61.53 1ufn s THR 51 Cb -0.03 -3.38 0.36 0.00 1.34 0.00 0.00 72.50 70.78 1ufn s THR 51 CO -0.00 -0.08 1.26 0.52 -0.54 0.00 0.00 174.62 175.78 1ufn n VAL 52 N -0.83 0.00 -0.07 2.29 0.31 -1.02 0.06 118.33 119.08 1ufn n VAL 52 Ca 0.09 1.23 -0.09 0.00 -0.01 0.00 0.00 64.34 65.55 1ufn n VAL 52 Cb 0.50 -2.22 -0.05 0.00 -0.91 0.00 0.00 33.84 31.16 1ufn n VAL 52 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 1ufn h LYS 53 N 0.00 0.00 -0.71 5.55 3.64 -1.88 -3.36 116.57 119.80 1ufn h LYS 53 Ca 0.45 0.00 0.11 0.00 -1.27 0.00 0.00 60.65 59.94 1ufn h LYS 53 Cb 2.85 0.00 -0.12 0.00 -0.41 0.00 0.00 32.23 34.54 1ufn h LYS 53 CO -0.00 0.40 -0.40 0.93 -2.27 0.00 0.00 179.45 178.10 1ufn h GLU 54 N -1.00 -0.13 -0.93 1.90 5.08 -0.70 0.21 114.58 119.00 1ufn h GLU 54 Ca -0.09 0.01 0.26 0.00 -1.00 0.00 0.00 59.36 58.54 1ufn h GLU 54 Cb 0.67 0.03 -0.17 0.00 0.50 0.00 0.00 28.75 29.79 1ufn h GLU 54 CO -0.06 -0.09 0.12 0.35 -1.00 0.00 0.00 179.01 178.34 1ufn h PHE 55 N -0.14 0.12 0.81 4.33 3.57 -1.58 0.08 116.94 124.13 1ufn h PHE 55 Ca 0.24 0.06 -0.04 0.00 3.53 0.00 0.00 57.97 61.76 1ufn h PHE 55 Cb 0.56 0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.40 1ufn h PHE 55 CO -0.75 -0.36 -0.42 -0.07 -2.23 0.00 0.00 178.31 174.48 1ufn h LEU 56 N 0.07 -1.02 -0.93 0.59 3.38 -0.74 -2.76 115.31 113.90 1ufn h LEU 56 Ca 0.59 0.04 0.26 0.00 0.09 0.00 0.00 57.88 58.86 1ufn h LEU 56 Cb 1.22 0.28 -0.14 0.00 0.09 0.00 0.00 40.66 42.11 1ufn h LEU 56 CO -0.81 -0.69 0.37 -1.13 0.09 0.00 0.00 178.44 176.27 1ufn h ASN 57 N -1.13 0.22 -0.87 -0.43 -0.73 -0.64 0.82 115.58 112.82 1ufn h ASN 57 Ca -0.11 0.19 0.19 0.00 1.87 0.00 0.00 56.30 58.45 1ufn h ASN 57 Cb 0.88 0.21 -0.06 0.00 0.27 0.00 0.00 38.32 39.62 1ufn h ASN 57 CO 0.16 -0.13 0.58 -0.33 -0.37 0.00 0.00 177.43 177.34 1ufn h GLU 58 N 0.28 0.37 0.08 6.67 5.08 -1.00 -2.26 114.58 123.79 1ufn h GLU 58 Ca 0.62 -0.02 -0.36 0.00 -1.00 0.00 0.00 59.36 58.60 1ufn h GLU 58 Cb 1.30 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.44 1ufn h GLU 58 CO -0.63 0.24 -2.05 0.41 -1.00 0.00 0.00 179.01 175.99 1ufn n GLY 59 N -1.53 -0.61 0.00 -3.84 0.00 0.25 -4.67 105.19 94.80 1ufn n GLY 59 Ca 0.18 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1ufn n GLY 59 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ufn n GLY 60 N 1.96 1.82 0.24 -0.02 0.00 0.54 -4.46 105.19 105.27 1ufn n GLY 60 Ca -0.32 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.77 1ufn n GLY 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ufn n ARG 61 N 0.00 2.13 -0.32 1.61 5.12 -1.07 -4.74 116.66 119.38 1ufn n ARG 61 Ca 0.00 -2.30 0.16 0.00 -1.93 0.00 0.00 57.85 53.78 1ufn n ARG 61 Cb 0.00 -1.41 0.35 0.00 -1.16 0.00 0.00 32.46 30.24 1ufn n ARG 61 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1ufn h ALA 62 N 0.47 1.61 -0.70 7.54 0.00 -1.87 0.17 119.26 126.47 1ufn h ALA 62 Ca 0.00 0.16 0.05 0.00 0.00 0.00 0.00 54.91 55.12 1ufn h ALA 62 Cb 0.92 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.77 1ufn h ALA 62 CO 0.04 -0.35 0.41 1.79 0.00 0.00 0.00 179.25 181.13 1ufn h THR 63 N 0.44 1.00 -2.97 0.00 1.35 -1.97 -3.43 112.91 107.33 1ufn h THR 63 Ca 0.61 -0.26 -0.58 0.00 -0.55 0.00 0.00 66.41 65.62 1ufn h THR 63 Cb 1.19 0.18 0.12 0.00 -1.73 0.00 0.00 68.15 67.90 1ufn h THR 63 CO -0.53 0.14 0.28 -0.24 -0.25 0.00 0.00 175.52 174.92 1ufn n SER 64 N -4.74 1.83 -0.06 5.36 2.88 0.58 -4.92 113.62 114.55 1ufn n SER 64 Ca 0.09 1.14 -0.11 0.00 -1.33 0.00 0.00 58.87 58.66 1ufn n SER 64 Cb 0.16 -1.38 -0.15 0.00 -0.75 0.00 0.00 64.21 62.09 1ufn n SER 64 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1ufn n LYS 65 N 0.46 0.67 -3.21 -1.46 0.00 -1.26 -4.82 118.16 108.54 1ufn n LYS 65 Ca 0.08 0.17 -0.43 0.00 -0.00 0.00 0.00 58.31 58.14 1ufn n LYS 65 Cb 0.36 -1.67 -0.08 0.00 -0.00 0.00 0.00 35.03 33.65 1ufn n LYS 65 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1ufn s ASP 66 N -6.02 6.28 0.23 -5.58 1.01 -1.26 -4.92 116.67 106.42 1ufn s ASP 66 Ca -0.11 -0.37 0.13 0.00 0.71 0.00 0.00 52.55 52.91 1ufn s ASP 66 Cb 0.07 -2.28 -0.02 0.00 1.01 0.00 0.00 42.92 41.71 1ufn s ASP 66 CO 0.80 -0.64 1.38 4.11 0.21 0.00 0.00 175.17 181.02 1ufn h TRP 67 N 8.73 0.00 0.00 4.23 5.08 -1.92 -3.08 115.95 128.99 1ufn h TRP 67 Ca -0.26 0.00 -0.04 0.00 1.08 0.00 0.00 58.89 59.67 1ufn h TRP 67 Cb 1.11 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.26 1ufn h TRP 67 CO 0.69 0.64 -0.17 0.87 -1.28 0.00 0.00 178.44 179.20 1ufn h LYS 68 N 0.00 0.00 0.11 0.12 1.57 -1.91 -0.56 116.57 115.91 1ufn h LYS 68 Ca -0.01 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.45 1ufn h LYS 68 Cb 1.50 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.80 1ufn h LYS 68 CO 0.08 0.17 -1.68 0.78 -0.57 0.00 0.00 179.45 178.23 1ufn h GLY 69 N 1.14 0.27 0.97 3.86 0.00 -1.96 -2.83 103.07 104.52 1ufn h GLY 69 Ca -0.00 -0.69 -0.10 0.00 0.00 0.00 0.00 47.33 46.54 1ufn h GLY 69 CO 0.02 0.61 -0.15 -0.39 0.00 0.00 0.00 176.54 176.63 1ufn h VAL 70 N -0.20 1.28 -3.49 4.60 -1.51 -1.47 -3.43 116.25 112.03 1ufn h VAL 70 Ca -0.37 -1.26 -0.53 0.00 -1.23 0.00 0.00 66.70 63.32 1ufn h VAL 70 Cb 1.85 1.33 -0.02 0.00 -2.13 0.00 0.00 31.29 32.32 1ufn h VAL 70 CO 0.05 0.41 0.37 -0.63 -1.23 0.00 0.00 177.57 176.54 1ufn s ILE 71 N -4.67 4.61 -0.06 7.19 1.01 -0.22 -4.66 121.20 124.39 1ufn s ILE 71 Ca -0.12 2.03 0.04 0.00 0.00 0.00 0.00 60.65 62.60 1ufn s ILE 71 Cb 0.10 -4.30 -0.02 0.00 0.01 0.00 0.00 42.46 38.25 1ufn s ILE 71 CO 0.82 0.25 -0.19 -0.13 0.00 0.00 0.00 174.94 175.68 1ufn s ARG 72 N 0.41 2.63 -0.33 2.79 0.52 -0.28 -3.28 118.95 121.43 1ufn s ARG 72 Ca 0.49 -0.79 -0.01 0.00 -0.52 0.00 0.00 55.73 54.90 1ufn s ARG 72 Cb -0.23 -2.31 0.07 0.00 0.52 0.00 0.00 34.95 33.01 1ufn s ARG 72 CO 0.29 0.46 0.05 0.00 0.02 0.00 0.00 175.30 176.12 1ufn n ASN 74 N 4.56 -5.16 0.00 0.00 3.02 -1.22 -1.64 115.26 114.82 1ufn n ASN 74 Ca -0.08 -0.15 0.00 0.00 -0.03 0.00 0.00 54.58 54.32 1ufn n ASN 74 Cb 0.43 -4.10 0.00 0.00 -0.61 0.00 0.00 39.78 35.50 1ufn n ASN 74 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ufn n GLY 75 N -1.24 1.78 3.26 7.41 0.00 -1.26 -5.01 105.19 110.13 1ufn n GLY 75 Ca -0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 1ufn n GLY 75 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ufn s GLU 76 N -0.43 3.22 0.55 1.61 8.01 -0.65 -5.06 118.70 125.96 1ufn s GLU 76 Ca 0.00 -0.74 -0.20 0.00 0.01 0.00 0.00 54.97 54.04 1ufn s GLU 76 Cb 0.00 -2.67 -0.06 0.00 -4.31 0.00 0.00 34.13 27.08 1ufn s GLU 76 CO 0.00 -0.03 0.98 0.25 0.01 0.00 0.00 175.26 176.48 1ufn n THR 77 N 4.19 3.32 -0.21 3.63 -2.24 -1.26 0.12 114.28 121.83 1ufn n THR 77 Ca -0.19 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.09 1ufn n THR 77 Cb 0.51 -1.17 0.08 0.00 -2.10 0.00 0.00 70.33 67.65 1ufn n THR 77 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1ufn h LEU 78 N 0.80 -0.51 -1.06 3.22 3.38 -1.48 0.22 115.31 119.88 1ufn h LEU 78 Ca -0.48 0.18 0.13 0.00 0.09 0.00 0.00 57.88 57.81 1ufn h LEU 78 Cb 1.35 0.37 -0.08 0.00 0.09 0.00 0.00 40.66 42.39 1ufn h LEU 78 CO 0.52 -0.19 0.62 -0.09 0.09 0.00 0.00 178.44 179.40 1ufn h ARG 79 N 0.03 0.90 0.16 1.13 2.43 -1.89 -0.24 114.38 116.88 1ufn h ARG 79 Ca 0.32 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.42 1ufn h ARG 79 Cb 0.50 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 1ufn h ARG 79 CO -0.63 0.59 -0.07 1.25 -1.51 0.00 0.00 179.97 179.60 1ufn h HIS 80 N 0.92 -0.19 -0.64 2.20 2.76 -0.92 -2.14 115.15 117.14 1ufn h HIS 80 Ca 0.50 -0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.67 1ufn h HIS 80 Cb 0.57 0.06 -0.03 0.00 1.55 0.00 0.00 27.41 29.56 1ufn h HIS 80 CO -0.00 -0.06 0.42 -0.07 -1.30 0.00 0.00 177.93 176.92 1ufn h LEU 81 N -0.28 0.71 -0.69 0.26 3.38 -0.71 -2.51 115.31 115.48 1ufn h LEU 81 Ca -0.02 -0.02 0.09 0.00 0.09 0.00 0.00 57.88 58.02 1ufn h LEU 81 Cb 0.22 -0.17 -0.07 0.00 0.09 0.00 0.00 40.66 40.73 1ufn h LEU 81 CO 0.03 0.51 0.33 -0.08 0.09 0.00 0.00 178.44 179.33 1ufn h GLU 82 N 0.85 0.56 -0.89 1.13 4.22 -0.91 -0.72 114.58 118.81 1ufn h GLU 82 Ca 0.24 -0.03 0.11 0.00 0.08 0.00 0.00 59.36 59.75 1ufn h GLU 82 Cb -0.08 -0.13 -0.07 0.00 0.50 0.00 0.00 28.75 28.98 1ufn h GLU 82 CO -0.06 0.37 0.57 1.96 -2.18 0.00 0.00 179.01 179.67 1ufn h GLN 83 N 0.58 0.81 -0.31 1.92 4.20 -0.93 0.33 115.11 121.70 1ufn h GLN 83 Ca 0.34 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 59.00 1ufn h GLN 83 Cb 0.35 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 27.95 1ufn h GLN 83 CO -0.26 0.54 0.00 1.63 -0.67 0.00 0.00 178.83 180.06 1ufn n LYS 84 N -4.54 1.19 -2.72 1.46 5.02 -0.35 -4.85 118.16 113.38 1ufn n LYS 84 Ca 0.16 -0.23 -0.21 0.00 -2.02 0.00 0.00 58.31 56.00 1ufn n LYS 84 Cb 0.35 -1.19 0.01 0.00 -0.02 0.00 0.00 35.03 34.18 1ufn n LYS 84 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ufn n GLY 85 N 0.45 -0.49 0.09 0.72 0.00 0.12 -4.88 105.19 101.20 1ufn n GLY 85 Ca 0.02 0.05 -0.11 0.00 0.00 0.00 0.00 46.02 45.98 1ufn n GLY 85 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ufn n LEU 86 N -3.50 1.25 -4.20 0.99 4.77 -0.78 -4.90 117.00 110.63 1ufn n LEU 86 Ca -0.17 -0.05 -0.35 0.00 -0.03 0.00 0.00 56.01 55.41 1ufn n LEU 86 Cb 0.65 -0.07 -0.14 0.00 -2.33 0.00 0.00 43.42 41.53 1ufn n LEU 86 CO 0.38 0.60 -0.38 -0.22 -1.33 0.00 0.00 177.39 176.44 1ufn s LEU 87 N -5.66 3.48 0.38 2.23 0.20 -1.22 -4.92 118.68 113.17 1ufn s LEU 87 Ca -0.17 -1.01 0.15 0.00 0.69 0.00 0.00 54.13 53.80 1ufn s LEU 87 Cb 0.06 -1.69 1.02 0.00 -0.43 0.00 0.00 46.19 45.14 1ufn s LEU 87 CO 0.61 -0.18 1.80 2.19 -0.29 0.00 0.00 176.35 180.47 1ufn h PHE 88 N 8.02 0.72 -6.33 5.38 -0.00 -1.91 -3.37 116.94 119.45 1ufn h PHE 88 Ca -0.28 0.02 -0.47 0.00 -0.00 0.00 0.00 57.97 57.24 1ufn h PHE 88 Cb 1.09 -0.21 -0.04 0.00 -0.00 0.00 0.00 35.95 36.79 1ufn h PHE 88 CO 0.59 0.12 -0.80 0.43 -0.00 0.00 0.00 178.31 178.65 1ufn n SER 89 N -4.63 -3.11 -0.46 -0.68 7.64 -1.26 -4.63 113.62 106.48 1ufn n SER 89 Ca 0.23 -0.85 0.01 0.00 1.01 0.00 0.00 58.87 59.28 1ufn n SER 89 Cb 0.76 -3.68 -0.00 0.00 -1.01 0.00 0.00 64.21 60.27 1ufn n SER 89 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ufn n GLY 90 N -1.67 -1.66 3.77 0.23 0.00 -1.26 -4.87 105.19 99.74 1ufn n GLY 90 Ca -0.09 -1.26 -0.33 0.00 0.00 0.00 0.00 46.02 44.34 1ufn n GLY 90 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ufn s PRO 91 N -0.20 2.91 -0.09 1.61 0.04 -1.26 -4.99 135.00 133.01 1ufn s PRO 91 Ca 0.00 1.44 -0.21 0.00 0.04 0.00 0.00 61.00 62.27 1ufn s PRO 91 Cb 0.00 -1.96 -0.28 0.00 0.04 0.00 0.00 34.50 32.29 1ufn s PRO 91 CO 0.00 -1.17 0.71 0.77 0.04 0.00 0.00 177.00 177.35 1ufn h SER 92 N 0.26 0.35 -3.25 6.66 0.02 -1.89 -3.44 113.55 112.27 1ufn h SER 92 Ca -0.47 -0.89 -0.57 0.00 -0.84 0.00 0.00 61.79 59.01 1ufn h SER 92 Cb 1.25 -0.11 -0.06 0.00 0.14 0.00 0.00 62.40 63.62 1ufn h SER 92 CO 0.55 1.43 0.88 -0.55 -1.14 0.00 0.00 176.83 178.00 1ufn s SER 93 N -6.90 6.87 0.00 3.07 0.15 -1.26 -5.27 113.70 110.36 1ufn s SER 93 Ca -0.17 1.13 0.00 0.00 0.70 0.00 0.00 55.95 57.60 1ufn s SER 93 Cb 0.02 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.79 1ufn s SER 93 CO 0.78 -0.93 0.00 0.61 1.20 0.00 0.00 173.24 174.90