#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 3.35 -0.19 1.61 1.04 -1.26 -5.09 113.70 113.16 1ufn s SER 2 Ca 0.00 -0.58 -0.04 0.00 0.48 0.00 0.00 55.95 55.81 1ufn s SER 2 Cb 0.00 -1.52 0.06 0.00 0.10 0.00 0.00 66.02 64.67 1ufn s SER 2 CO 0.00 0.03 0.07 -0.55 0.98 0.00 0.00 173.24 173.78 1ufn s SER 3 N 1.12 2.66 -0.34 7.02 0.15 -1.26 -5.02 113.70 118.03 1ufn s SER 3 Ca 0.01 -0.75 -0.03 0.00 0.70 0.00 0.00 55.95 55.87 1ufn s SER 3 Cb -0.14 -0.38 0.09 0.00 -1.71 0.00 0.00 66.02 63.87 1ufn s SER 3 CO -0.07 -0.34 2.53 0.61 1.20 0.00 0.00 173.24 177.16 1ufn n GLY 4 N 5.19 4.04 3.34 9.45 0.00 -1.26 -4.88 105.19 121.07 1ufn n GLY 4 Ca -0.07 -1.43 -0.33 0.00 0.00 0.00 0.00 46.02 44.18 1ufn n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ufn s SER 5 N 0.51 3.96 0.72 1.61 0.01 -1.26 -5.12 113.70 114.13 1ufn s SER 5 Ca 0.46 -0.37 -0.07 0.00 1.31 0.00 0.00 55.95 57.28 1ufn s SER 5 Cb 0.31 -1.61 0.07 0.00 0.21 0.00 0.00 66.02 64.99 1ufn s SER 5 CO -0.10 0.12 1.04 -0.44 0.41 0.00 0.00 173.24 174.27 1ufn s SER 6 N 0.61 4.74 0.00 2.44 0.01 -1.26 -5.09 113.70 115.15 1ufn s SER 6 Ca -0.07 0.49 0.00 0.00 1.31 0.00 0.00 55.95 57.67 1ufn s SER 6 Cb -0.16 -1.10 0.00 0.00 0.21 0.00 0.00 66.02 64.97 1ufn s SER 6 CO 0.03 -1.66 0.00 0.61 0.41 0.00 0.00 173.24 172.63 1ufn n GLY 7 N -2.99 0.39 4.00 3.44 0.00 -1.26 -5.17 105.19 103.60 1ufn n GLY 7 Ca 0.08 -0.96 -0.19 0.00 0.00 0.00 0.00 46.02 44.96 1ufn n GLY 7 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ufn s ASN 8 N 0.00 5.38 0.03 1.61 0.02 -1.26 -5.01 114.94 115.71 1ufn s ASN 8 Ca 0.00 -0.62 0.26 0.00 -1.02 0.00 0.00 52.86 51.48 1ufn s ASN 8 Cb 0.00 -0.31 0.77 0.00 0.02 0.00 0.00 41.25 41.73 1ufn s ASN 8 CO 0.00 -0.94 1.61 0.47 0.02 0.00 0.00 177.10 178.26 1ufn n ASP 9 N -1.94 0.37 -3.44 -1.22 9.92 -1.26 -4.95 116.55 114.04 1ufn n ASP 9 Ca 0.10 0.13 -0.06 0.00 -0.53 0.00 0.00 54.79 54.43 1ufn n ASP 9 Cb 0.60 -0.11 0.00 0.00 -0.64 0.00 0.00 41.12 40.98 1ufn n ASP 9 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ufn s ALA 10 N -3.03 -1.29 0.35 2.24 0.00 -1.26 -4.99 121.76 113.77 1ufn s ALA 10 Ca 0.11 -0.33 0.18 0.00 0.00 0.00 0.00 51.96 51.92 1ufn s ALA 10 Cb 0.17 0.72 0.97 0.00 0.00 0.00 0.00 23.12 24.98 1ufn s ALA 10 CO 0.63 -1.03 1.49 -0.39 0.00 0.00 0.00 175.76 176.46 1ufn h VAL 11 N 2.00 0.00 -2.35 0.00 -1.51 -2.05 -3.44 116.25 108.90 1ufn h VAL 11 Ca -0.26 0.00 -0.26 0.00 -1.23 0.00 0.00 66.70 64.94 1ufn h VAL 11 Cb 1.24 0.40 0.01 0.00 -2.13 0.00 0.00 31.29 30.80 1ufn h VAL 11 CO 0.32 0.00 -0.36 -0.67 -1.23 0.00 0.00 177.57 175.63 1ufn n ASP 12 N -2.40 -4.29 -0.74 4.19 2.03 -1.26 -4.90 116.55 109.17 1ufn n ASP 12 Ca -0.01 -0.08 0.07 0.00 0.52 0.00 0.00 54.79 55.28 1ufn n ASP 12 Cb 0.43 -3.35 0.19 0.00 -0.72 0.00 0.00 41.12 37.67 1ufn n ASP 12 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1ufn n PHE 13 N -4.03 0.63 0.23 -0.67 3.72 -1.26 -4.67 117.46 111.42 1ufn n PHE 13 Ca -0.13 -0.61 -0.10 0.00 -0.05 0.00 0.00 57.45 56.56 1ufn n PHE 13 Cb 0.60 -0.12 -0.05 0.00 -0.94 0.00 0.00 39.48 38.98 1ufn n PHE 13 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 1ufn h SER 14 N 2.03 -0.56 0.00 4.37 0.02 -1.98 -3.17 113.55 114.27 1ufn h SER 14 Ca 0.00 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1ufn h SER 14 Cb 0.96 0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.64 1ufn h SER 14 CO 0.07 -0.15 0.00 -0.81 -1.14 0.00 0.00 176.83 174.80 1ufn n PRO 15 N -5.12 0.49 -4.27 3.45 -0.04 -1.26 -4.69 135.00 123.56 1ufn n PRO 15 Ca -0.08 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.17 1ufn n PRO 15 Cb 0.26 -1.38 -0.12 0.00 -0.04 0.00 0.00 33.50 32.22 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 -2.00 1.33 0.00 0.52 -4.23 -1.20 -0.63 115.64 109.43 1ufn s THR 16 Ca 0.18 -1.31 -0.00 0.00 -1.18 0.00 0.00 61.69 59.37 1ufn s THR 16 Cb 0.08 -1.23 -0.00 0.00 1.34 0.00 0.00 72.50 72.69 1ufn s THR 16 CO 0.14 -0.10 -0.00 -0.76 -0.54 0.00 0.00 174.62 173.35 1ufn s LEU 17 N -1.64 2.01 -0.15 4.79 1.43 0.08 -4.82 118.68 120.38 1ufn s LEU 17 Ca 0.02 -0.03 -0.29 0.00 -1.03 0.00 0.00 54.13 52.80 1ufn s LEU 17 Cb -0.10 0.01 -0.03 0.00 0.03 0.00 0.00 46.19 46.10 1ufn s LEU 17 CO 0.03 -0.02 1.56 -2.16 0.23 0.00 0.00 176.35 175.99 1ufn s PRO 18 N -0.09 4.02 0.12 1.29 0.04 -1.26 -0.61 135.00 138.52 1ufn s PRO 18 Ca -0.01 1.85 0.10 0.00 0.04 0.00 0.00 61.00 62.98 1ufn s PRO 18 Cb -0.01 -3.96 -0.04 0.00 0.04 0.00 0.00 34.50 30.53 1ufn s PRO 18 CO -0.00 -1.02 -0.26 0.14 0.04 0.00 0.00 177.00 175.90 1ufn s VAL 19 N 4.45 2.14 -0.06 -0.36 -7.23 -1.10 -4.27 120.40 113.97 1ufn s VAL 19 Ca 0.69 -1.71 -0.03 0.00 -1.81 0.00 0.00 61.98 59.12 1ufn s VAL 19 Cb -0.27 -1.90 0.03 0.00 0.56 0.00 0.00 36.38 34.79 1ufn s VAL 19 CO 0.26 0.06 0.13 0.42 -0.31 0.00 0.00 175.10 175.67 1ufn s THR 20 N -1.07 -0.03 -0.22 5.32 -4.23 -0.66 -1.76 115.64 112.98 1ufn s THR 20 Ca 0.12 0.12 -0.01 0.00 -1.18 0.00 0.00 61.69 60.75 1ufn s THR 20 Cb -0.10 -0.21 0.06 0.00 1.34 0.00 0.00 72.50 73.59 1ufn s THR 20 CO 0.06 0.05 -0.01 0.00 -0.54 0.00 0.00 174.62 174.18 1ufn n GLY 22 N 4.84 0.96 1.03 0.00 0.00 -1.26 0.10 105.19 110.85 1ufn n GLY 22 Ca -0.10 0.54 0.08 0.00 0.00 0.00 0.00 46.02 46.54 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 3.23 -4.55 1.61 2.85 -1.26 -4.97 118.16 115.06 1ufn n LYS 23 Ca 0.00 -2.72 -0.31 0.00 -1.05 0.00 0.00 58.31 54.23 1ufn n LYS 23 Cb 0.00 -1.78 -0.12 0.00 -0.65 0.00 0.00 35.03 32.49 1ufn n LYS 23 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1ufn s ALA 24 N -2.33 2.77 -0.03 0.58 0.00 0.12 -4.88 121.76 117.98 1ufn s ALA 24 Ca 0.41 -1.14 0.01 0.00 0.00 0.00 0.00 51.96 51.24 1ufn s ALA 24 Cb 0.30 -0.89 0.02 0.00 0.00 0.00 0.00 23.12 22.56 1ufn s ALA 24 CO 0.13 0.59 -0.03 0.15 0.00 0.00 0.00 175.76 176.60 1ufn s LYS 25 N -1.50 0.62 0.00 0.00 1.02 -1.26 -0.94 119.74 117.67 1ufn s LYS 25 Ca 0.16 -0.06 0.00 0.00 0.02 0.00 0.00 55.97 56.10 1ufn s LYS 25 Cb -0.11 -0.68 0.00 0.00 -0.52 0.00 0.00 37.83 36.53 1ufn s LYS 25 CO 0.07 -0.08 0.00 0.41 -0.92 0.00 0.00 175.35 174.83 1ufn n GLY 26 N 3.96 3.94 3.20 -3.33 0.00 -0.72 -3.98 105.19 108.25 1ufn n GLY 26 Ca -0.25 -0.68 -0.11 0.00 0.00 0.00 0.00 46.02 44.98 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 -0.59 -0.09 -0.00 2.61 2.01 -0.94 -2.73 115.64 115.90 1ufn s THR 27 Ca 0.00 0.12 -0.20 0.00 0.31 0.00 0.00 61.69 61.92 1ufn s THR 27 Cb 0.00 -0.54 -0.05 0.00 0.01 0.00 0.00 72.50 71.91 1ufn s THR 27 CO 0.00 0.05 0.58 -0.22 -0.69 0.00 0.00 174.62 174.34 1ufn s LEU 28 N 1.49 4.42 -0.41 4.42 2.96 0.22 -2.00 118.68 129.79 1ufn s LEU 28 Ca -0.08 1.15 -0.06 0.00 -0.22 0.00 0.00 54.13 54.92 1ufn s LEU 28 Cb -0.09 -2.90 0.09 0.00 0.50 0.00 0.00 46.19 43.79 1ufn s LEU 28 CO -0.11 0.12 0.21 -0.36 -1.32 0.00 0.00 176.35 174.89 1ufn s PHE 29 N -0.27 3.45 0.55 5.38 0.40 -1.18 -0.74 117.98 125.57 1ufn s PHE 29 Ca 0.30 -2.01 0.31 0.00 -0.60 0.00 0.00 56.93 54.94 1ufn s PHE 29 Cb -0.18 -3.04 1.48 0.00 0.51 0.00 0.00 43.02 41.78 1ufn s PHE 29 CO 0.17 -0.92 1.88 1.96 0.70 0.00 0.00 175.22 179.01 1ufn h GLN 30 N 8.21 0.00 -0.29 0.44 4.20 -1.24 0.63 115.11 127.06 1ufn h GLN 30 Ca -0.18 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.36 1ufn h GLN 30 Cb 1.06 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.84 1ufn h GLN 30 CO 0.72 0.00 -0.47 1.05 -0.67 0.00 0.00 178.83 179.45 1ufn h GLU 31 N 0.00 0.83 -0.00 1.46 4.11 -1.93 0.28 114.58 119.32 1ufn h GLU 31 Ca 0.40 -0.51 0.00 0.00 0.07 0.00 0.00 59.36 59.32 1ufn h GLU 31 Cb 1.65 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.96 1ufn h GLU 31 CO -0.00 1.14 -0.36 1.63 0.07 0.00 0.00 179.01 181.49 1ufn n LYS 32 N -4.08 0.29 -0.11 1.06 5.02 0.66 -4.06 118.16 116.94 1ufn n LYS 32 Ca -0.04 -0.16 -0.20 0.00 -2.02 0.00 0.00 58.31 55.89 1ufn n LYS 32 Cb 0.59 -1.50 -0.12 0.00 -0.02 0.00 0.00 35.03 33.98 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 -1.21 2.80 -0.36 -0.35 7.94 0.19 -4.37 117.00 121.64 1ufn n LEU 33 Ca 0.08 -0.03 0.27 0.00 -1.11 0.00 0.00 56.01 55.22 1ufn n LEU 33 Cb 0.33 -0.94 0.53 0.00 0.53 0.00 0.00 43.42 43.88 1ufn n LEU 33 CO 0.31 0.88 1.18 0.07 -1.11 0.00 0.00 177.39 178.72 1ufn h LYS 34 N -0.11 0.28 -0.81 1.96 2.10 -0.59 0.63 116.57 120.04 1ufn h LYS 34 Ca -0.56 -0.02 -0.03 0.00 -2.00 0.00 0.00 60.65 58.04 1ufn h LYS 34 Cb 1.88 -0.06 -0.04 0.00 -0.90 0.00 0.00 32.23 33.11 1ufn h LYS 34 CO -0.10 0.19 0.39 1.96 -2.00 0.00 0.00 179.45 179.89 1ufn h GLN 35 N 0.29 1.17 0.00 0.07 4.20 -1.76 -3.41 115.11 115.67 1ufn h GLN 35 Ca 0.72 -0.17 0.00 0.00 0.06 0.00 0.00 58.65 59.25 1ufn h GLN 35 Cb 1.85 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 29.42 1ufn h GLN 35 CO -0.46 0.90 0.00 0.41 -0.67 0.00 0.00 178.83 179.01 1ufn n GLY 36 N -1.00 1.90 0.53 3.46 0.00 0.22 -4.99 105.19 105.32 1ufn n GLY 36 Ca 0.08 -0.37 0.01 0.00 0.00 0.00 0.00 46.02 45.74 1ufn n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ufn n ALA 37 N -0.36 2.61 -0.01 4.61 0.00 -1.26 -3.14 120.51 122.96 1ufn n ALA 37 Ca 0.00 -0.19 0.03 0.00 0.00 0.00 0.00 53.44 53.28 1ufn n ALA 37 Cb 0.00 -1.01 -0.08 0.00 0.00 0.00 0.00 19.45 18.36 1ufn n ALA 37 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1ufn n SER 38 N -0.01 2.61 -4.82 0.00 7.64 -1.26 -3.89 113.62 113.89 1ufn n SER 38 Ca 0.03 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.57 1ufn n SER 38 Cb 0.29 1.35 -0.06 0.00 -1.01 0.00 0.00 64.21 64.77 1ufn n SER 38 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1ufn s LYS 39 N -2.64 4.23 -0.40 1.43 3.01 -1.19 -4.75 119.74 119.44 1ufn s LYS 39 Ca -0.04 0.96 -0.27 0.00 -1.01 0.00 0.00 55.97 55.61 1ufn s LYS 39 Cb 0.06 -2.54 -0.05 0.00 -1.01 0.00 0.00 37.83 34.29 1ufn s LYS 39 CO 0.43 0.19 2.21 0.15 0.51 0.00 0.00 175.35 178.83 1ufn s LYS 40 N -2.62 2.64 -0.01 1.68 -0.14 -1.26 -4.42 119.74 115.60 1ufn s LYS 40 Ca 0.53 1.50 0.02 0.00 -1.36 0.00 0.00 55.97 56.66 1ufn s LYS 40 Cb -0.13 -4.45 -0.03 0.00 -1.68 0.00 0.00 37.83 31.55 1ufn s LYS 40 CO 0.18 -2.67 0.02 0.00 -0.76 0.00 0.00 175.35 172.12 1ufn s ILE 42 N -2.08 4.41 -0.26 0.00 1.01 -0.59 -3.13 121.20 120.56 1ufn s ILE 42 Ca -0.01 0.43 -0.15 0.00 0.00 0.00 0.00 60.65 60.92 1ufn s ILE 42 Cb 0.01 -4.51 -0.04 0.00 0.01 0.00 0.00 42.46 37.93 1ufn s ILE 42 CO 0.09 -1.03 0.35 -1.58 0.00 0.00 0.00 174.94 172.77 1ufn s GLN 43 N 3.90 4.03 0.96 2.79 0.74 -0.85 0.12 119.66 131.35 1ufn s GLN 43 Ca 0.32 0.02 -0.16 0.00 0.05 0.00 0.00 55.36 55.60 1ufn s GLN 43 Cb -0.12 -3.64 0.20 0.00 1.10 0.00 0.00 33.01 30.55 1ufn s GLN 43 CO 0.21 -0.23 1.32 0.54 -0.55 0.00 0.00 175.29 176.58 1ufn s ASN 44 N 1.56 3.12 0.48 6.67 2.20 -1.14 -2.22 114.94 125.60 1ufn s ASN 44 Ca 0.15 0.28 0.18 0.00 -0.94 0.00 0.00 52.86 52.53 1ufn s ASN 44 Cb -0.16 -0.33 1.19 0.00 -2.00 0.00 0.00 41.25 39.95 1ufn s ASN 44 CO 0.10 -2.73 2.00 -0.33 -2.94 0.00 0.00 177.10 173.19 1ufn h GLU 45 N -1.64 0.21 0.00 3.55 4.39 -1.92 0.43 114.58 119.59 1ufn h GLU 45 Ca -0.44 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.24 1ufn h GLU 45 Cb 1.24 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.84 1ufn h GLU 45 CO 0.38 0.14 0.00 0.00 -1.16 0.00 0.00 179.01 178.37 1ufn n ALA 46 N -2.57 2.41 0.00 3.43 0.00 -1.26 -4.85 120.51 117.67 1ufn n ALA 46 Ca 0.09 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1ufn n ALA 46 Cb 0.45 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.49 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 0.58 3.00 3.61 0.00 0.00 0.15 -4.96 105.19 107.57 1ufn n GLY 47 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.58 5.93 0.56 1.61 1.11 -1.26 -4.59 116.67 118.45 1ufn s ASP 48 Ca 0.00 1.70 -0.20 0.00 0.18 0.00 0.00 52.55 54.23 1ufn s ASP 48 Cb 0.00 -2.52 -0.04 0.00 1.07 0.00 0.00 42.92 41.42 1ufn s ASP 48 CO 0.00 -1.61 1.25 0.26 1.18 0.00 0.00 175.17 176.25 1ufn s TRP 49 N 6.66 2.43 0.01 4.23 0.52 -1.26 -2.90 118.94 128.62 1ufn s TRP 49 Ca 0.85 1.48 0.00 0.00 0.02 0.00 0.00 56.10 58.45 1ufn s TRP 49 Cb -0.28 -3.57 -0.01 0.00 -1.15 0.00 0.00 33.47 28.45 1ufn s TRP 49 CO 0.34 -2.34 -0.02 -0.51 0.02 0.00 0.00 176.95 174.44 1ufn s LEU 50 N -3.74 2.12 0.51 2.99 1.43 0.32 -4.94 118.68 117.37 1ufn s LEU 50 Ca 0.74 -0.26 -0.19 0.00 -1.03 0.00 0.00 54.13 53.39 1ufn s LEU 50 Cb -0.33 -0.01 -0.07 0.00 0.03 0.00 0.00 46.19 45.80 1ufn s LEU 50 CO 0.38 -0.13 1.05 0.42 0.23 0.00 0.00 176.35 178.30 1ufn s THR 51 N -0.71 3.72 0.51 5.49 -4.23 -1.26 -1.54 115.64 117.62 1ufn s THR 51 Ca -0.07 1.02 0.34 0.00 -1.18 0.00 0.00 61.69 61.81 1ufn s THR 51 Cb -0.05 -3.42 0.51 0.00 1.34 0.00 0.00 72.50 70.88 1ufn s THR 51 CO -0.00 -0.28 1.25 0.52 -0.54 0.00 0.00 174.62 175.57 1ufn n VAL 52 N -1.20 0.00 -0.05 2.29 0.31 -1.25 -0.08 118.33 118.35 1ufn n VAL 52 Ca 0.09 1.21 -0.01 0.00 -0.01 0.00 0.00 64.34 65.62 1ufn n VAL 52 Cb 0.52 -2.08 -0.00 0.00 -0.91 0.00 0.00 33.84 31.37 1ufn n VAL 52 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 1ufn h LYS 53 N 0.00 0.00 -0.89 5.55 6.56 -1.89 -3.35 116.57 122.55 1ufn h LYS 53 Ca 0.64 0.00 0.09 0.00 -1.06 0.00 0.00 60.65 60.32 1ufn h LYS 53 Cb 2.97 0.00 -0.12 0.00 -0.57 0.00 0.00 32.23 34.51 1ufn h LYS 53 CO -0.01 0.00 -0.55 0.93 -2.06 0.00 0.00 179.45 177.77 1ufn h GLU 54 N -0.95 -0.07 -0.95 3.15 3.07 -0.83 0.26 114.58 118.26 1ufn h GLU 54 Ca 0.00 0.00 0.22 0.00 -0.50 0.00 0.00 59.36 59.09 1ufn h GLU 54 Cb 0.13 0.02 -0.18 0.00 -0.84 0.00 0.00 28.75 27.88 1ufn h GLU 54 CO 0.00 -0.04 -0.11 0.34 -1.40 0.00 0.00 179.01 177.79 1ufn n PHE 55 N -5.31 0.47 0.23 4.33 7.35 -0.82 -0.15 117.46 123.56 1ufn n PHE 55 Ca 0.02 1.15 -0.15 0.00 -0.76 0.00 0.00 57.45 57.72 1ufn n PHE 55 Cb 0.30 -1.13 -0.08 0.00 0.35 0.00 0.00 39.48 38.91 1ufn n PHE 55 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1ufn h LEU 56 N 0.00 -0.46 -0.95 -2.13 3.38 -0.64 -2.85 115.31 111.66 1ufn h LEU 56 Ca 0.51 -0.04 0.25 0.00 0.09 0.00 0.00 57.88 58.70 1ufn h LEU 56 Cb 0.93 0.12 -0.13 0.00 0.09 0.00 0.00 40.66 41.67 1ufn h LEU 56 CO -0.94 -0.25 0.47 -1.13 0.09 0.00 0.00 178.44 176.68 1ufn h ASN 57 N -0.64 0.42 -0.39 -0.43 -0.73 0.21 0.76 115.58 114.78 1ufn h ASN 57 Ca -0.06 0.16 0.07 0.00 1.87 0.00 0.00 56.30 58.35 1ufn h ASN 57 Cb 0.47 0.12 -0.02 0.00 0.27 0.00 0.00 38.32 39.16 1ufn h ASN 57 CO 0.09 -0.02 0.27 -0.33 -0.37 0.00 0.00 177.43 177.07 1ufn h GLU 58 N 0.41 0.21 0.05 6.67 4.39 -0.91 -1.67 114.58 123.74 1ufn h GLU 58 Ca 0.62 -0.01 -0.25 0.00 0.34 0.00 0.00 59.36 60.05 1ufn h GLU 58 Cb 1.24 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.82 1ufn h GLU 58 CO -0.55 0.14 -1.26 0.78 -1.16 0.00 0.00 179.01 176.96 1ufn h GLY 59 N 0.22 0.12 0.00 -3.84 0.00 0.55 -3.43 103.07 96.69 1ufn h GLY 59 Ca 0.18 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.20 1ufn h GLY 59 CO -0.03 0.27 0.00 0.61 0.00 0.00 0.00 176.54 177.39 1ufn n GLY 60 N 1.48 -0.23 2.73 4.60 0.00 -0.63 -4.16 105.19 109.00 1ufn n GLY 60 Ca -0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.65 1ufn n GLY 60 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ufn s ARG 61 N 0.00 0.72 -0.15 1.61 0.52 -1.03 -4.95 118.95 115.67 1ufn s ARG 61 Ca 0.00 -0.94 0.06 0.00 -0.52 0.00 0.00 55.73 54.33 1ufn s ARG 61 Cb 0.00 -1.99 -0.13 0.00 0.52 0.00 0.00 34.95 33.34 1ufn s ARG 61 CO 0.00 -0.92 -0.05 0.00 0.02 0.00 0.00 175.30 174.35 1ufn n ALA 62 N 4.89 1.66 0.00 2.13 0.00 -1.26 -2.07 120.51 125.87 1ufn n ALA 62 Ca -0.04 -0.78 -0.08 0.00 0.00 0.00 0.00 53.44 52.54 1ufn n ALA 62 Cb 0.43 0.05 0.08 0.00 0.00 0.00 0.00 19.45 20.00 1ufn n ALA 62 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1ufn h THR 63 N 0.00 1.32 -1.47 0.00 1.35 -1.97 -3.44 112.91 108.70 1ufn h THR 63 Ca -0.36 -1.72 -0.66 0.00 -0.55 0.00 0.00 66.41 63.12 1ufn h THR 63 Cb 1.68 1.70 -0.00 0.00 -1.73 0.00 0.00 68.15 69.80 1ufn h THR 63 CO -0.02 0.54 1.26 -1.20 -0.25 0.00 0.00 175.52 175.85 1ufn n SER 64 N -3.98 2.60 0.23 5.36 7.64 -1.26 -4.87 113.62 119.33 1ufn n SER 64 Ca -0.03 0.64 -0.10 0.00 1.01 0.00 0.00 58.87 60.40 1ufn n SER 64 Cb 0.57 -1.29 -0.05 0.00 -1.01 0.00 0.00 64.21 62.43 1ufn n SER 64 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1ufn h LYS 65 N 11.01 -0.62 -5.83 1.43 3.64 -1.96 -3.42 116.57 120.81 1ufn h LYS 65 Ca -0.37 0.04 -0.61 0.00 -1.27 0.00 0.00 60.65 58.45 1ufn h LYS 65 Cb 1.30 0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 33.24 1ufn h LYS 65 CO 0.99 -0.41 1.50 -0.25 -2.27 0.00 0.00 179.45 179.01 1ufn n ASP 66 N -5.20 2.18 -0.04 4.20 8.00 -1.26 -4.79 116.55 119.64 1ufn n ASP 66 Ca -0.08 0.19 -0.08 0.00 0.71 0.00 0.00 54.79 55.53 1ufn n ASP 66 Cb 0.25 -1.34 -0.14 0.00 -0.02 0.00 0.00 41.12 39.87 1ufn n ASP 66 CO 0.00 0.00 0.00 -2.67 -0.39 0.00 0.00 177.20 174.14 1ufn n TRP 67 N 11.28 0.75 0.23 1.24 4.27 -1.26 -3.60 117.44 130.34 1ufn n TRP 67 Ca 0.41 0.27 0.08 0.00 -3.89 0.00 0.00 57.50 54.37 1ufn n TRP 67 Cb 0.30 -1.13 0.53 0.00 -1.36 0.00 0.00 31.31 29.65 1ufn n TRP 67 CO 0.00 0.00 0.00 0.87 -2.29 0.00 0.00 177.69 176.27 1ufn h LYS 68 N 0.00 0.00 0.12 -2.67 1.57 -1.87 -0.46 116.57 113.26 1ufn h LYS 68 Ca -0.34 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.21 1ufn h LYS 68 Cb 2.05 0.00 0.01 0.00 0.08 0.00 0.00 32.23 34.37 1ufn h LYS 68 CO 0.07 0.23 -1.07 0.78 -0.57 0.00 0.00 179.45 178.88 1ufn h GLY 69 N 1.08 0.28 1.08 3.86 0.00 -1.97 -2.95 103.07 104.45 1ufn h GLY 69 Ca -0.00 -0.72 -0.12 0.00 0.00 0.00 0.00 47.33 46.49 1ufn h GLY 69 CO 0.03 0.63 -0.18 -0.39 0.00 0.00 0.00 176.54 176.63 1ufn h VAL 70 N -0.40 1.27 -3.56 4.60 -1.51 -1.60 -3.43 116.25 111.61 1ufn h VAL 70 Ca -0.22 -1.34 -0.52 0.00 -1.23 0.00 0.00 66.70 63.40 1ufn h VAL 70 Cb 1.65 1.13 -0.02 0.00 -2.13 0.00 0.00 31.29 31.93 1ufn h VAL 70 CO 0.08 0.46 0.38 -0.63 -1.23 0.00 0.00 177.57 176.64 1ufn s ILE 71 N -4.71 4.37 -0.05 7.19 1.01 -0.19 -4.59 121.20 124.24 1ufn s ILE 71 Ca -0.12 1.98 0.06 0.00 0.00 0.00 0.00 60.65 62.57 1ufn s ILE 71 Cb 0.12 -4.27 -0.01 0.00 0.01 0.00 0.00 42.46 38.31 1ufn s ILE 71 CO 0.86 0.31 -0.22 -0.13 0.00 0.00 0.00 174.94 175.76 1ufn s ARG 72 N -0.07 2.22 -0.27 2.79 0.52 -0.27 -3.26 118.95 120.62 1ufn s ARG 72 Ca 0.47 -0.79 0.03 0.00 -0.52 0.00 0.00 55.73 54.92 1ufn s ARG 72 Cb -0.25 -1.92 0.07 0.00 0.52 0.00 0.00 34.95 33.37 1ufn s ARG 72 CO 0.31 0.34 -0.08 0.00 0.02 0.00 0.00 175.30 175.89 1ufn n ASN 74 N 4.43 -4.27 0.00 0.00 5.03 -1.26 -2.11 115.26 117.08 1ufn n ASN 74 Ca -0.11 -0.11 0.00 0.00 0.87 0.00 0.00 54.58 55.23 1ufn n ASN 74 Cb 0.42 -3.28 0.00 0.00 -1.02 0.00 0.00 39.78 35.90 1ufn n ASN 74 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1ufn n GLY 75 N -1.14 2.15 3.30 7.41 0.00 -1.26 -5.00 105.19 110.66 1ufn n GLY 75 Ca -0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.28 3.27 0.43 1.61 2.02 -0.90 -5.06 118.70 119.79 1ufn s GLU 76 Ca 0.00 -0.74 -0.26 0.00 0.02 0.00 0.00 54.97 53.99 1ufn s GLU 76 Cb 0.00 -2.60 -0.09 0.00 0.10 0.00 0.00 34.13 31.54 1ufn s GLU 76 CO 0.00 0.11 1.45 0.95 0.02 0.00 0.00 175.26 177.80 1ufn s THR 77 N 0.58 2.04 0.32 3.63 -4.23 -1.26 -0.01 115.64 116.71 1ufn s THR 77 Ca -0.09 0.04 0.05 0.00 -1.18 0.00 0.00 61.69 60.51 1ufn s THR 77 Cb -0.16 -3.02 0.41 0.00 1.34 0.00 0.00 72.50 71.07 1ufn s THR 77 CO 0.03 0.01 1.57 -0.07 -0.54 0.00 0.00 174.62 175.62 1ufn h LEU 78 N 2.55 -0.36 -0.87 4.79 3.38 -1.50 1.16 115.31 124.45 1ufn h LEU 78 Ca -0.51 0.28 0.08 0.00 0.09 0.00 0.00 57.88 57.83 1ufn h LEU 78 Cb 1.26 0.46 -0.07 0.00 0.09 0.00 0.00 40.66 42.40 1ufn h LEU 78 CO 0.62 -0.38 0.53 -0.09 0.09 0.00 0.00 178.44 179.21 1ufn h ARG 79 N 0.00 0.89 -0.11 1.13 2.43 -1.89 0.16 114.38 117.00 1ufn h ARG 79 Ca 0.65 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.76 1ufn h ARG 79 Cb 1.41 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 30.76 1ufn h ARG 79 CO -0.91 0.59 0.06 1.25 -1.51 0.00 0.00 179.97 179.45 1ufn h HIS 80 N 0.91 0.14 -0.62 2.20 2.76 0.10 -1.66 115.15 119.00 1ufn h HIS 80 Ca 0.40 -0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 58.51 1ufn h HIS 80 Cb 0.29 -0.05 -0.02 0.00 1.55 0.00 0.00 27.41 29.18 1ufn h HIS 80 CO -0.04 0.14 0.13 -0.07 -1.30 0.00 0.00 177.93 176.79 1ufn h LEU 81 N 0.11 0.97 -0.75 0.26 3.38 -0.90 -2.90 115.31 115.47 1ufn h LEU 81 Ca 0.04 -0.25 0.05 0.00 0.09 0.00 0.00 57.88 57.81 1ufn h LEU 81 Cb 0.04 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.48 1ufn h LEU 81 CO -0.01 0.96 0.45 -0.08 0.09 0.00 0.00 178.44 179.86 1ufn h GLU 82 N 0.92 0.83 -0.79 1.13 4.81 -0.48 -1.36 114.58 119.64 1ufn h GLU 82 Ca 0.19 -0.05 0.07 0.00 -0.13 0.00 0.00 59.36 59.45 1ufn h GLU 82 Cb 0.39 -0.19 -0.05 0.00 0.63 0.00 0.00 28.75 29.54 1ufn h GLU 82 CO 0.01 0.55 0.52 1.96 -0.73 0.00 0.00 179.01 181.31 1ufn h GLN 83 N 0.85 0.79 -0.04 1.92 4.20 -1.10 0.24 115.11 121.97 1ufn h GLN 83 Ca 0.32 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.98 1ufn h GLN 83 Cb 0.11 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 27.72 1ufn h GLN 83 CO -0.15 0.52 0.00 1.63 -0.67 0.00 0.00 178.83 180.16 1ufn n LYS 84 N -4.49 1.10 -2.45 1.46 5.02 -0.60 -4.86 118.16 113.34 1ufn n LYS 84 Ca 0.12 -0.15 -0.16 0.00 -2.02 0.00 0.00 58.31 56.11 1ufn n LYS 84 Cb 0.25 -1.12 0.00 0.00 -0.02 0.00 0.00 35.03 34.14 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 0.65 -0.25 0.12 0.72 0.00 0.83 -4.90 105.19 102.37 1ufn n GLY 85 Ca 0.06 -0.20 -0.15 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.45 2.02 -4.45 0.99 4.77 -0.67 -4.88 117.00 112.33 1ufn n LEU 86 Ca -0.15 -0.09 -0.39 0.00 -0.03 0.00 0.00 56.01 55.35 1ufn n LEU 86 Cb 0.62 -0.46 -0.12 0.00 -2.33 0.00 0.00 43.42 41.14 1ufn n LEU 86 CO 0.25 0.80 -0.20 -0.22 -1.33 0.00 0.00 177.39 176.68 1ufn s LEU 87 N -6.19 4.10 0.39 2.23 2.96 -1.22 -4.94 118.68 116.01 1ufn s LEU 87 Ca -0.27 -0.49 0.13 0.00 -0.22 0.00 0.00 54.13 53.28 1ufn s LEU 87 Cb 0.08 -2.01 0.95 0.00 0.50 0.00 0.00 46.19 45.71 1ufn s LEU 87 CO 0.68 -0.19 1.89 2.19 -1.32 0.00 0.00 176.35 179.60 1ufn h PHE 88 N 8.35 0.65 -6.31 5.38 -0.00 -1.93 -3.40 116.94 119.67 1ufn h PHE 88 Ca -0.32 0.02 -0.47 0.00 -0.00 0.00 0.00 57.97 57.20 1ufn h PHE 88 Cb 1.15 -0.20 -0.03 0.00 -0.00 0.00 0.00 35.95 36.87 1ufn h PHE 88 CO 0.65 0.23 -0.81 0.43 -0.00 0.00 0.00 178.31 178.81 1ufn n SER 89 N -4.52 -2.74 0.00 -0.68 7.64 -1.26 -4.62 113.62 107.43 1ufn n SER 89 Ca 0.17 -0.85 0.00 0.00 1.01 0.00 0.00 58.87 59.19 1ufn n SER 89 Cb 0.53 -3.69 0.00 0.00 -1.01 0.00 0.00 64.21 60.04 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 -0.08 3.77 0.23 0.00 -1.26 -4.83 105.19 101.34 1ufn n GLY 90 Ca -0.12 -1.03 -0.32 0.00 0.00 0.00 0.00 46.02 44.54 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 0.00 2.67 -0.21 1.61 0.04 -1.26 -5.02 135.00 132.83 1ufn s PRO 91 Ca 0.00 1.33 -0.16 0.00 0.04 0.00 0.00 61.00 62.21 1ufn s PRO 91 Cb 0.00 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.56 1ufn s PRO 91 CO 0.00 -1.35 0.40 0.45 0.04 0.00 0.00 177.00 176.55 1ufn s SER 92 N -2.80 6.43 0.46 6.66 0.15 -1.26 -5.07 113.70 118.27 1ufn s SER 92 Ca 0.65 0.50 -0.19 0.00 0.70 0.00 0.00 55.95 57.61 1ufn s SER 92 Cb -0.20 -2.23 -0.10 0.00 -1.71 0.00 0.00 66.02 61.78 1ufn s SER 92 CO 0.45 -0.09 0.96 -0.94 1.20 0.00 0.00 173.24 174.82 1ufn s SER 93 N 1.10 6.81 0.00 5.45 1.04 -1.26 -5.29 113.70 121.56 1ufn s SER 93 Ca 0.19 1.66 0.00 0.00 0.48 0.00 0.00 55.95 58.28 1ufn s SER 93 Cb -0.15 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.44 1ufn s SER 93 CO 0.08 -0.45 0.00 0.61 0.98 0.00 0.00 173.24 174.46