#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 0.96 0.71 1.61 0.01 -1.26 -5.16 113.70 110.57 1ufn s SER 2 Ca 0.00 -1.02 -0.10 0.00 1.31 0.00 0.00 55.95 56.14 1ufn s SER 2 Cb 0.00 0.13 0.04 0.00 0.21 0.00 0.00 66.02 66.40 1ufn s SER 2 CO 0.00 -0.51 1.07 -0.94 0.41 0.00 0.00 173.24 173.27 1ufn s SER 3 N -3.02 5.08 0.00 2.44 1.04 -1.26 -5.06 113.70 112.92 1ufn s SER 3 Ca 0.12 0.82 0.00 0.00 0.48 0.00 0.00 55.95 57.37 1ufn s SER 3 Cb 0.06 -1.54 0.00 0.00 0.10 0.00 0.00 66.02 64.64 1ufn s SER 3 CO -0.05 -1.50 0.00 0.61 0.98 0.00 0.00 173.24 173.27 1ufn n GLY 4 N -3.00 1.94 0.11 7.32 0.00 -1.26 -5.02 105.19 105.28 1ufn n GLY 4 Ca 0.07 -1.20 -0.20 0.00 0.00 0.00 0.00 46.02 44.69 1ufn n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1ufn h SER 5 N 0.00 0.25 -6.30 1.61 0.02 -2.06 -3.48 113.55 103.58 1ufn h SER 5 Ca 0.00 -0.83 -0.47 0.00 -0.84 0.00 0.00 61.79 59.65 1ufn h SER 5 Cb 0.00 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.43 1ufn h SER 5 CO 0.00 1.44 -0.77 -0.24 -1.14 0.00 0.00 176.83 176.11 1ufn n SER 6 N -4.19 -4.15 -2.21 3.07 2.88 -1.26 -4.81 113.62 102.96 1ufn n SER 6 Ca -0.22 -0.80 -0.02 0.00 -1.33 0.00 0.00 58.87 56.50 1ufn n SER 6 Cb 0.76 -3.83 0.00 0.00 -0.75 0.00 0.00 64.21 60.40 1ufn n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ufn n GLY 7 N -1.67 -0.60 3.68 0.46 0.00 -1.26 -5.13 105.19 100.67 1ufn n GLY 7 Ca -0.01 -0.02 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 1ufn n GLY 7 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ufn s ASN 8 N -0.20 7.19 -0.10 1.61 2.47 -1.26 -5.04 114.94 119.63 1ufn s ASN 8 Ca 0.03 1.56 -0.00 0.00 0.42 0.00 0.00 52.86 54.87 1ufn s ASN 8 Cb 0.07 -2.55 -0.03 0.00 -1.45 0.00 0.00 41.25 37.29 1ufn s ASN 8 CO -0.02 -0.50 -0.08 1.51 -3.72 0.00 0.00 177.10 174.29 1ufn s ASP 9 N 1.18 4.52 -0.13 -4.21 1.47 -1.26 -5.00 116.67 113.24 1ufn s ASP 9 Ca 0.49 -0.11 0.11 0.00 1.18 0.00 0.00 52.55 54.22 1ufn s ASP 9 Cb -0.19 -1.34 0.56 0.00 -0.34 0.00 0.00 42.92 41.61 1ufn s ASP 9 CO 0.17 0.29 1.39 0.00 0.68 0.00 0.00 175.17 177.70 1ufn n ALA 10 N 2.72 3.26 -0.02 2.11 0.00 -1.26 -4.48 120.51 122.85 1ufn n ALA 10 Ca -0.18 -1.27 0.22 0.00 0.00 0.00 0.00 53.44 52.21 1ufn n ALA 10 Cb 0.53 -1.06 0.52 0.00 0.00 0.00 0.00 19.45 19.43 1ufn n ALA 10 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 1ufn h VAL 11 N 2.91 0.11 0.00 0.00 -1.51 -2.03 0.23 116.25 115.96 1ufn h VAL 11 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 1ufn h VAL 11 Cb 1.38 0.25 0.00 0.00 -2.13 0.00 0.00 31.29 30.79 1ufn h VAL 11 CO 0.28 0.00 0.43 -0.78 -1.23 0.00 0.00 177.57 176.27 1ufn h ASP 12 N 0.00 0.00 -0.09 4.19 3.58 -2.00 0.24 116.42 122.34 1ufn h ASP 12 Ca 0.31 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.74 1ufn h ASP 12 Cb 2.08 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 43.12 1ufn h ASP 12 CO -0.00 0.00 0.02 2.19 -2.88 0.00 0.00 179.24 178.57 1ufn h PHE 13 N 0.00 0.21 0.73 0.28 -0.00 -0.82 -1.97 116.94 115.37 1ufn h PHE 13 Ca 0.00 -0.00 -0.04 0.00 -0.00 0.00 0.00 57.97 57.93 1ufn h PHE 13 Cb 0.87 -0.07 0.01 0.00 -0.00 0.00 0.00 35.95 36.76 1ufn h PHE 13 CO 0.00 0.20 -0.35 0.77 -0.00 0.00 0.00 178.31 178.93 1ufn h SER 14 N 0.21 -0.83 0.00 -0.68 0.02 -0.76 -2.96 113.55 108.56 1ufn h SER 14 Ca 0.05 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1ufn h SER 14 Cb 0.11 0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.87 1ufn h SER 14 CO -0.00 -0.46 0.00 -0.81 -1.14 0.00 0.00 176.83 174.42 1ufn n PRO 15 N -5.38 0.49 -4.68 3.45 -0.04 -1.16 -4.66 135.00 123.02 1ufn n PRO 15 Ca -0.12 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.10 1ufn n PRO 15 Cb 0.39 -1.35 -0.15 0.00 -0.04 0.00 0.00 33.50 32.35 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 1.43 -0.01 0.52 -4.23 -0.75 -1.32 115.64 109.28 1ufn s THR 16 Ca 0.17 -0.95 0.03 0.00 -1.18 0.00 0.00 61.69 59.76 1ufn s THR 16 Cb 0.08 -1.22 -0.01 0.00 1.34 0.00 0.00 72.50 72.69 1ufn s THR 16 CO 0.13 0.26 -0.09 -0.76 -0.54 0.00 0.00 174.62 173.61 1ufn s LEU 17 N -0.80 2.00 -0.17 4.79 1.43 -0.10 -4.75 118.68 121.07 1ufn s LEU 17 Ca 0.06 -0.17 -0.29 0.00 -1.03 0.00 0.00 54.13 52.70 1ufn s LEU 17 Cb -0.08 -0.49 -0.03 0.00 0.03 0.00 0.00 46.19 45.62 1ufn s LEU 17 CO 0.01 0.11 1.58 -2.16 0.23 0.00 0.00 176.35 176.12 1ufn s PRO 18 N -0.19 3.95 0.11 1.29 0.04 -1.26 -1.24 135.00 137.70 1ufn s PRO 18 Ca 0.03 1.80 0.10 0.00 0.04 0.00 0.00 61.00 62.97 1ufn s PRO 18 Cb -0.04 -3.99 -0.04 0.00 0.04 0.00 0.00 34.50 30.47 1ufn s PRO 18 CO -0.00 -1.10 -0.26 0.14 0.04 0.00 0.00 177.00 175.81 1ufn s VAL 19 N 4.68 2.18 -0.13 -0.36 -7.23 -1.16 -3.83 120.40 114.55 1ufn s VAL 19 Ca 0.70 -1.68 -0.07 0.00 -1.81 0.00 0.00 61.98 59.13 1ufn s VAL 19 Cb -0.27 -1.92 0.05 0.00 0.56 0.00 0.00 36.38 34.81 1ufn s VAL 19 CO 0.27 0.12 0.31 0.42 -0.31 0.00 0.00 175.10 175.91 1ufn s THR 20 N -1.03 -0.08 -0.27 5.32 -4.23 -0.21 -1.98 115.64 113.16 1ufn s THR 20 Ca 0.13 0.14 0.01 0.00 -1.18 0.00 0.00 61.69 60.79 1ufn s THR 20 Cb -0.10 -0.48 0.08 0.00 1.34 0.00 0.00 72.50 73.34 1ufn s THR 20 CO 0.05 0.06 -0.00 0.00 -0.54 0.00 0.00 174.62 174.19 1ufn n GLY 22 N 4.62 0.95 1.19 0.00 0.00 -1.26 0.06 105.19 110.74 1ufn n GLY 22 Ca -0.07 0.53 0.08 0.00 0.00 0.00 0.00 46.02 46.57 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 3.42 -4.69 1.61 2.85 -1.26 -4.96 118.16 115.12 1ufn n LYS 23 Ca 0.00 -2.73 -0.32 0.00 -1.05 0.00 0.00 58.31 54.22 1ufn n LYS 23 Cb 0.00 -1.78 -0.12 0.00 -0.65 0.00 0.00 35.03 32.47 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 -2.09 2.73 -0.02 0.58 0.00 0.11 -4.85 121.76 118.23 1ufn s ALA 24 Ca 0.43 -1.07 0.02 0.00 0.00 0.00 0.00 51.96 51.34 1ufn s ALA 24 Cb 0.30 -0.92 0.00 0.00 0.00 0.00 0.00 23.12 22.50 1ufn s ALA 24 CO 0.17 0.58 -0.07 0.15 0.00 0.00 0.00 175.76 176.59 1ufn s LYS 25 N -1.17 0.68 0.00 0.00 1.02 -1.26 -0.60 119.74 118.40 1ufn s LYS 25 Ca 0.14 -0.22 0.00 0.00 0.02 0.00 0.00 55.97 55.91 1ufn s LYS 25 Cb -0.11 -0.67 0.00 0.00 -0.52 0.00 0.00 37.83 36.54 1ufn s LYS 25 CO 0.04 0.09 0.00 0.41 -0.92 0.00 0.00 175.35 174.97 1ufn n GLY 26 N 3.23 3.39 3.28 -3.33 0.00 -0.84 -3.58 105.19 107.35 1ufn n GLY 26 Ca -0.17 -0.59 -0.09 0.00 0.00 0.00 0.00 46.02 45.17 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 -1.50 -0.33 0.03 2.61 2.01 0.98 -2.98 115.64 116.46 1ufn s THR 27 Ca 0.00 0.13 -0.23 0.00 0.31 0.00 0.00 61.69 61.89 1ufn s THR 27 Cb 0.00 -0.65 -0.05 0.00 0.01 0.00 0.00 72.50 71.80 1ufn s THR 27 CO 0.00 0.05 0.71 -0.22 -0.69 0.00 0.00 174.62 174.47 1ufn s LEU 28 N 2.01 4.44 -0.39 4.42 2.96 -0.37 -0.57 118.68 131.18 1ufn s LEU 28 Ca -0.06 1.35 -0.03 0.00 -0.22 0.00 0.00 54.13 55.18 1ufn s LEU 28 Cb -0.10 -3.13 0.10 0.00 0.50 0.00 0.00 46.19 43.56 1ufn s LEU 28 CO -0.13 0.04 0.17 -0.36 -1.32 0.00 0.00 176.35 174.75 1ufn s PHE 29 N -0.10 3.52 0.39 5.38 0.40 -1.12 -0.93 117.98 125.52 1ufn s PHE 29 Ca 0.36 -2.27 0.23 0.00 -0.60 0.00 0.00 56.93 54.65 1ufn s PHE 29 Cb -0.20 -3.00 1.33 0.00 0.51 0.00 0.00 43.02 41.66 1ufn s PHE 29 CO 0.21 -0.93 1.61 1.96 0.70 0.00 0.00 175.22 178.77 1ufn h GLN 30 N 8.06 0.10 -0.66 0.44 4.20 -1.57 1.06 115.11 126.73 1ufn h GLN 30 Ca -0.15 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.55 1ufn h GLN 30 Cb 1.05 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.78 1ufn h GLN 30 CO 0.67 0.06 0.41 1.05 -0.67 0.00 0.00 178.83 180.35 1ufn h GLU 31 N 0.10 0.90 -0.00 1.46 4.11 -1.93 0.01 114.58 119.22 1ufn h GLU 31 Ca 0.82 -0.08 0.00 0.00 0.07 0.00 0.00 59.36 60.17 1ufn h GLU 31 Cb 2.28 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 31.34 1ufn h GLU 31 CO -0.60 0.63 -0.15 1.63 0.07 0.00 0.00 179.01 180.59 1ufn n LYS 32 N -4.58 0.66 -0.01 1.06 5.02 0.34 -3.75 118.16 116.90 1ufn n LYS 32 Ca 0.05 -0.27 -0.18 0.00 -2.02 0.00 0.00 58.31 55.89 1ufn n LYS 32 Cb 0.05 -1.49 -0.14 0.00 -0.02 0.00 0.00 35.03 33.43 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 -0.94 2.27 0.09 -0.35 7.94 0.60 -4.34 117.00 122.27 1ufn n LEU 33 Ca 0.13 0.23 -0.12 0.00 -1.11 0.00 0.00 56.01 55.14 1ufn n LEU 33 Cb 0.30 -0.83 -0.07 0.00 0.53 0.00 0.00 43.42 43.34 1ufn n LEU 33 CO 0.25 0.76 0.51 0.11 -1.11 0.00 0.00 177.39 177.91 1ufn h LYS 34 N 0.05 -0.55 -0.80 1.96 1.57 -1.12 -2.39 116.57 115.28 1ufn h LYS 34 Ca -0.41 0.04 0.14 0.00 -1.87 0.00 0.00 60.65 58.55 1ufn h LYS 34 Cb 2.03 0.12 -0.14 0.00 0.08 0.00 0.00 32.23 34.33 1ufn h LYS 34 CO 0.08 -0.37 -0.28 1.04 -0.57 0.00 0.00 179.45 179.35 1ufn n GLN 35 N -4.68 -0.15 0.00 3.15 3.00 -1.26 -4.77 117.38 112.67 1ufn n GLN 35 Ca -0.06 1.24 0.00 0.00 -0.01 0.00 0.00 57.00 58.17 1ufn n GLN 35 Cb 0.31 -1.85 0.00 0.00 0.00 0.00 0.00 30.24 28.70 1ufn n GLN 35 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1ufn n GLY 36 N -1.42 1.91 0.14 1.08 0.00 -0.90 -4.98 105.19 101.02 1ufn n GLY 36 Ca 0.10 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.42 2.46 0.45 4.61 0.00 -1.26 -2.85 120.51 123.50 1ufn n ALA 37 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.52 1ufn n ALA 37 Cb 0.00 -1.00 -0.11 0.00 0.00 0.00 0.00 19.45 18.34 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 -0.36 0.88 -4.86 0.00 7.64 -1.26 -3.69 113.62 111.98 1ufn n SER 38 Ca 0.00 -0.51 -0.36 0.00 1.01 0.00 0.00 58.87 59.01 1ufn n SER 38 Cb 0.07 1.35 -0.06 0.00 -1.01 0.00 0.00 64.21 64.56 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 -2.88 3.76 -0.44 1.43 3.01 -1.13 -4.84 119.74 118.64 1ufn s LYS 39 Ca 0.01 0.20 -0.29 0.00 -1.01 0.00 0.00 55.97 54.87 1ufn s LYS 39 Cb 0.12 -3.12 -0.09 0.00 -1.01 0.00 0.00 37.83 33.73 1ufn s LYS 39 CO 0.71 0.65 2.34 1.63 0.51 0.00 0.00 175.35 181.20 1ufn n LYS 40 N 1.43 1.17 -0.01 1.68 4.76 -1.26 -4.47 118.16 121.46 1ufn n LYS 40 Ca -0.12 0.21 -0.00 0.00 -2.87 0.00 0.00 58.31 55.53 1ufn n LYS 40 Cb 0.53 -2.93 -0.03 0.00 -1.84 0.00 0.00 35.03 30.77 1ufn n LYS 40 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1ufn s ILE 42 N -2.15 4.73 -0.27 0.00 1.01 -0.76 -2.81 121.20 120.95 1ufn s ILE 42 Ca -0.01 1.06 -0.12 0.00 0.00 0.00 0.00 60.65 61.58 1ufn s ILE 42 Cb 0.02 -4.21 -0.05 0.00 0.01 0.00 0.00 42.46 38.23 1ufn s ILE 42 CO 0.14 -0.38 0.23 -1.58 0.00 0.00 0.00 174.94 173.35 1ufn s GLN 43 N 3.11 3.98 0.94 2.79 0.74 0.27 0.14 119.66 131.63 1ufn s GLN 43 Ca 0.33 -0.23 -0.15 0.00 0.05 0.00 0.00 55.36 55.36 1ufn s GLN 43 Cb -0.13 -3.64 0.16 0.00 1.10 0.00 0.00 33.01 30.50 1ufn s GLN 43 CO 0.15 -0.17 1.22 0.54 -0.55 0.00 0.00 175.29 176.49 1ufn s ASN 44 N 1.65 3.34 0.57 6.67 2.20 -0.31 -0.01 114.94 129.04 1ufn s ASN 44 Ca 0.09 0.58 0.27 0.00 -0.94 0.00 0.00 52.86 52.86 1ufn s ASN 44 Cb -0.16 -0.88 1.61 0.00 -2.00 0.00 0.00 41.25 39.83 1ufn s ASN 44 CO 0.10 -2.62 2.13 -0.33 -2.94 0.00 0.00 177.10 173.43 1ufn h GLU 45 N -1.56 0.00 -0.06 3.55 4.39 -1.88 0.33 114.58 119.36 1ufn h GLU 45 Ca -0.46 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.24 1ufn h GLU 45 Cb 1.29 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.94 1ufn h GLU 45 CO 0.50 0.00 0.00 0.00 -1.16 0.00 0.00 179.01 178.35 1ufn n ALA 46 N -2.39 2.57 0.00 3.43 0.00 -1.26 -4.87 120.51 117.99 1ufn n ALA 46 Ca 0.01 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.22 1ufn n ALA 46 Cb 0.27 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.52 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 0.86 3.01 3.69 0.00 0.00 0.12 -4.97 105.19 107.89 1ufn n GLY 47 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.25 6.65 0.58 1.61 1.01 -1.26 -4.55 116.67 119.46 1ufn s ASP 48 Ca 0.00 2.42 -0.14 0.00 0.71 0.00 0.00 52.55 55.54 1ufn s ASP 48 Cb 0.00 -2.56 -0.05 0.00 1.01 0.00 0.00 42.92 41.32 1ufn s ASP 48 CO 0.00 -0.85 1.02 0.26 0.21 0.00 0.00 175.17 175.81 1ufn s TRP 49 N 2.50 3.40 -0.04 4.23 0.52 -1.26 -1.16 118.94 127.12 1ufn s TRP 49 Ca 0.72 1.41 -0.09 0.00 0.02 0.00 0.00 56.10 58.16 1ufn s TRP 49 Cb -0.38 -2.81 0.01 0.00 -1.15 0.00 0.00 33.47 29.14 1ufn s TRP 49 CO 0.31 -0.70 0.21 -0.51 0.02 0.00 0.00 176.95 176.28 1ufn s LEU 50 N -4.70 1.24 0.45 2.99 1.43 0.38 -4.91 118.68 115.57 1ufn s LEU 50 Ca 0.58 0.15 -0.23 0.00 -1.03 0.00 0.00 54.13 53.60 1ufn s LEU 50 Cb -0.12 0.82 -0.08 0.00 0.03 0.00 0.00 46.19 46.85 1ufn s LEU 50 CO 0.43 -0.25 1.17 0.42 0.23 0.00 0.00 176.35 178.35 1ufn s THR 51 N -0.67 3.10 0.55 5.49 -4.23 -1.26 -1.83 115.64 116.80 1ufn s THR 51 Ca -0.08 0.84 0.31 0.00 -1.18 0.00 0.00 61.69 61.58 1ufn s THR 51 Cb -0.04 -3.43 0.45 0.00 1.34 0.00 0.00 72.50 70.82 1ufn s THR 51 CO 0.01 0.00 1.27 0.52 -0.54 0.00 0.00 174.62 175.89 1ufn n VAL 52 N -0.42 0.00 -0.09 2.29 0.31 -1.24 0.81 118.33 119.99 1ufn n VAL 52 Ca 0.07 1.23 -0.18 0.00 -0.01 0.00 0.00 64.34 65.45 1ufn n VAL 52 Cb 0.48 -2.16 -0.11 0.00 -0.91 0.00 0.00 33.84 31.13 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 -0.19 5.55 3.64 -1.88 -3.37 116.57 120.31 1ufn h LYS 53 Ca 0.57 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.99 1ufn h LYS 53 Cb 2.96 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 34.71 1ufn h LYS 53 CO -0.01 0.93 -0.51 0.93 -2.27 0.00 0.00 179.45 178.52 1ufn h GLU 54 N -1.00 -0.50 -0.92 1.90 3.07 0.07 -0.67 114.58 116.53 1ufn h GLU 54 Ca -0.23 0.03 0.28 0.00 -0.50 0.00 0.00 59.36 58.95 1ufn h GLU 54 Cb 1.15 0.11 -0.17 0.00 -0.84 0.00 0.00 28.75 29.00 1ufn h GLU 54 CO -0.14 -0.33 0.11 0.34 -1.40 0.00 0.00 179.01 177.59 1ufn n PHE 55 N -5.43 0.68 0.10 4.33 7.35 -0.75 0.54 117.46 124.29 1ufn n PHE 55 Ca -0.05 1.11 -0.13 0.00 -0.76 0.00 0.00 57.45 57.62 1ufn n PHE 55 Cb 0.37 -1.25 -0.08 0.00 0.35 0.00 0.00 39.48 38.87 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 -0.16 -1.07 -2.13 3.38 -1.29 -2.77 115.31 111.26 1ufn h LEU 56 Ca 0.60 -0.09 0.22 0.00 0.09 0.00 0.00 57.88 58.70 1ufn h LEU 56 Cb 1.33 0.04 -0.11 0.00 0.09 0.00 0.00 40.66 42.02 1ufn h LEU 56 CO -0.84 -0.01 0.61 -1.13 0.09 0.00 0.00 178.44 177.16 1ufn h ASN 57 N -0.30 0.70 -0.66 -0.43 -0.73 0.61 0.41 115.58 115.18 1ufn h ASN 57 Ca -0.02 0.10 0.12 0.00 1.87 0.00 0.00 56.30 58.38 1ufn h ASN 57 Cb 0.24 -0.01 -0.04 0.00 0.27 0.00 0.00 38.32 38.77 1ufn h ASN 57 CO 0.03 0.20 0.44 -0.33 -0.37 0.00 0.00 177.43 177.40 1ufn h GLU 58 N 0.65 0.38 0.04 6.67 4.39 -0.99 -2.55 114.58 123.18 1ufn h GLU 58 Ca 0.60 -0.02 -0.35 0.00 0.34 0.00 0.00 59.36 59.92 1ufn h GLU 58 Cb 1.08 -0.09 -0.05 0.00 -0.10 0.00 0.00 28.75 29.60 1ufn h GLU 58 CO -0.39 0.25 -2.07 0.41 -1.16 0.00 0.00 179.01 176.05 1ufn n GLY 59 N -1.53 -0.72 0.00 -3.84 0.00 0.11 -4.60 105.19 94.61 1ufn n GLY 59 Ca 0.12 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 1.88 1.78 0.24 -0.02 0.00 0.75 -4.40 105.19 105.41 1ufn n GLY 60 Ca -0.30 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.80 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 1.95 -0.32 1.61 5.12 -0.89 -4.73 116.66 119.40 1ufn n ARG 61 Ca 0.00 -2.43 0.18 0.00 -1.93 0.00 0.00 57.85 53.67 1ufn n ARG 61 Cb 0.00 -1.47 0.43 0.00 -1.16 0.00 0.00 32.46 30.26 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 0.44 1.98 -0.29 7.54 0.00 -1.87 0.27 119.26 127.32 1ufn h ALA 62 Ca 0.00 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 1ufn h ALA 62 Cb 0.99 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 1ufn h ALA 62 CO 0.04 -0.35 -0.10 1.79 0.00 0.00 0.00 179.25 180.63 1ufn h THR 63 N 0.55 1.22 -3.33 0.00 1.35 -1.96 -3.44 112.91 107.30 1ufn h THR 63 Ca 0.57 -0.96 -0.58 0.00 -0.55 0.00 0.00 66.41 64.89 1ufn h THR 63 Cb 1.18 1.11 0.16 0.00 -1.73 0.00 0.00 68.15 68.87 1ufn h THR 63 CO -0.32 0.31 -0.03 -1.54 -0.25 0.00 0.00 175.52 173.70 1ufn n SER 64 N -4.22 0.26 -0.12 5.36 3.41 0.95 -4.96 113.62 114.30 1ufn n SER 64 Ca 0.01 0.81 -0.22 0.00 -0.26 0.00 0.00 58.87 59.21 1ufn n SER 64 Cb 0.30 -1.32 -0.08 0.00 -0.26 0.00 0.00 64.21 62.85 1ufn n SER 64 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1ufn n LYS 65 N -0.59 0.56 -2.84 4.33 5.02 -1.26 -4.87 118.16 118.50 1ufn n LYS 65 Ca 0.13 0.34 -0.43 0.00 -2.02 0.00 0.00 58.31 56.33 1ufn n LYS 65 Cb 0.46 -1.55 -0.04 0.00 -0.02 0.00 0.00 35.03 33.89 1ufn n LYS 65 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1ufn s ASP 66 N -6.90 6.62 0.28 4.39 2.15 -1.26 -4.90 116.67 117.05 1ufn s ASP 66 Ca -0.33 0.46 0.14 0.00 0.43 0.00 0.00 52.55 53.26 1ufn s ASP 66 Cb 0.10 -2.45 0.21 0.00 -0.30 0.00 0.00 42.92 40.48 1ufn s ASP 66 CO 0.48 -0.86 1.51 4.11 -0.17 0.00 0.00 175.17 180.24 1ufn h TRP 67 N 8.57 0.00 0.00 -5.34 5.08 -1.92 -3.05 115.95 119.29 1ufn h TRP 67 Ca -0.24 0.00 -0.02 0.00 1.08 0.00 0.00 58.89 59.71 1ufn h TRP 67 Cb 1.08 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.24 1ufn h TRP 67 CO 0.83 0.57 -0.11 0.87 -1.28 0.00 0.00 178.44 179.32 1ufn h LYS 68 N 0.00 0.00 0.13 0.12 1.57 -1.90 -0.81 116.57 115.67 1ufn h LYS 68 Ca -0.01 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.43 1ufn h LYS 68 Cb 1.30 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.60 1ufn h LYS 68 CO 0.07 0.11 -1.86 0.78 -0.57 0.00 0.00 179.45 177.98 1ufn h GLY 69 N 1.34 0.31 1.11 3.86 0.00 -1.95 -3.01 103.07 104.72 1ufn h GLY 69 Ca -0.00 -0.78 -0.16 0.00 0.00 0.00 0.00 47.33 46.39 1ufn h GLY 69 CO 0.01 0.68 -0.41 -0.39 0.00 0.00 0.00 176.54 176.44 1ufn h VAL 70 N -0.03 1.28 -3.50 4.60 -1.51 -1.45 -3.44 116.25 112.20 1ufn h VAL 70 Ca -0.40 -1.59 -0.53 0.00 -1.23 0.00 0.00 66.70 62.96 1ufn h VAL 70 Cb 1.97 1.48 -0.02 0.00 -2.13 0.00 0.00 31.29 32.59 1ufn h VAL 70 CO 0.08 0.52 0.33 -0.63 -1.23 0.00 0.00 177.57 176.64 1ufn s ILE 71 N -4.32 4.64 -0.05 7.19 1.01 -0.32 -4.67 121.20 124.68 1ufn s ILE 71 Ca -0.11 1.99 0.06 0.00 0.00 0.00 0.00 60.65 62.59 1ufn s ILE 71 Cb 0.10 -4.29 -0.01 0.00 0.01 0.00 0.00 42.46 38.28 1ufn s ILE 71 CO 0.88 0.28 -0.23 -0.13 0.00 0.00 0.00 174.94 175.74 1ufn s ARG 72 N 0.26 2.26 -0.29 2.79 0.52 -0.58 -3.23 118.95 120.68 1ufn s ARG 72 Ca 0.47 -0.82 -0.01 0.00 -0.52 0.00 0.00 55.73 54.85 1ufn s ARG 72 Cb -0.22 -1.96 0.05 0.00 0.52 0.00 0.00 34.95 33.34 1ufn s ARG 72 CO 0.28 0.37 -0.02 0.00 0.02 0.00 0.00 175.30 175.95 1ufn n ASN 74 N 4.57 -4.49 0.00 0.00 3.02 -1.25 -1.99 115.26 115.13 1ufn n ASN 74 Ca -0.13 -0.09 0.00 0.00 -0.03 0.00 0.00 54.58 54.33 1ufn n ASN 74 Cb 0.43 -3.53 0.00 0.00 -0.61 0.00 0.00 39.78 36.07 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 -1.12 2.28 3.42 7.41 0.00 -1.26 -5.01 105.19 110.90 1ufn n GLY 75 Ca -0.13 0.00 -0.34 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 -0.36 3.52 0.49 1.61 8.01 -0.84 -5.05 118.70 126.08 1ufn s GLU 76 Ca 0.00 -0.59 -0.24 0.00 0.01 0.00 0.00 54.97 54.15 1ufn s GLU 76 Cb 0.00 -2.86 -0.07 0.00 -4.31 0.00 0.00 34.13 26.89 1ufn s GLU 76 CO 0.00 0.13 1.39 0.25 0.01 0.00 0.00 175.26 177.03 1ufn n THR 77 N 3.84 3.17 -0.23 3.63 -2.24 -1.26 0.11 114.28 121.29 1ufn n THR 77 Ca -0.18 -0.50 -0.01 0.00 -2.27 0.00 0.00 64.05 61.10 1ufn n THR 77 Cb 0.52 -1.74 0.06 0.00 -2.10 0.00 0.00 70.33 67.07 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 1.93 -0.76 -1.10 3.22 3.38 -1.50 0.35 115.31 120.84 1ufn h LEU 78 Ca -0.50 0.21 0.20 0.00 0.09 0.00 0.00 57.88 57.88 1ufn h LEU 78 Cb 1.29 0.46 -0.10 0.00 0.09 0.00 0.00 40.66 42.40 1ufn h LEU 78 CO 0.59 -0.25 0.61 -0.09 0.09 0.00 0.00 178.44 179.40 1ufn h ARG 79 N -0.04 0.67 0.06 1.13 1.12 -1.88 -0.74 114.38 114.71 1ufn h ARG 79 Ca 0.31 -0.04 -0.00 0.00 -1.11 0.00 0.00 59.98 59.14 1ufn h ARG 79 Cb 0.52 -0.15 0.00 0.00 -0.01 0.00 0.00 29.97 30.33 1ufn h ARG 79 CO -0.71 0.44 -0.03 1.25 -3.11 0.00 0.00 179.97 177.81 1ufn h HIS 80 N 0.69 -0.07 -0.81 2.20 2.76 -0.65 -2.15 115.15 117.12 1ufn h HIS 80 Ca 0.57 -0.00 0.05 0.00 -2.20 0.00 0.00 60.37 58.79 1ufn h HIS 80 Cb 0.98 0.02 -0.06 0.00 1.55 0.00 0.00 27.41 29.91 1ufn h HIS 80 CO -0.00 0.09 0.50 -0.07 -1.30 0.00 0.00 177.93 177.14 1ufn h LEU 81 N -0.22 0.80 -0.57 0.26 3.38 -0.67 -2.15 115.31 116.14 1ufn h LEU 81 Ca -0.01 0.01 0.02 0.00 0.09 0.00 0.00 57.88 57.99 1ufn h LEU 81 Cb 0.19 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 1ufn h LEU 81 CO 0.01 0.53 0.35 -0.08 0.09 0.00 0.00 178.44 179.34 1ufn h GLU 82 N 0.94 0.68 -0.90 1.13 4.22 -1.03 0.29 114.58 119.91 1ufn h GLU 82 Ca 0.34 -0.04 0.04 0.00 0.08 0.00 0.00 59.36 59.79 1ufn h GLU 82 Cb 0.12 -0.15 -0.05 0.00 0.50 0.00 0.00 28.75 29.16 1ufn h GLU 82 CO -0.15 0.45 0.59 1.96 -2.18 0.00 0.00 179.01 179.68 1ufn h GLN 83 N 0.70 1.06 -0.40 1.92 4.20 -0.75 0.81 115.11 122.66 1ufn h GLN 83 Ca 0.22 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.87 1ufn h GLN 83 Cb -0.00 -0.24 0.00 0.00 0.30 0.00 0.00 27.48 27.54 1ufn h GLN 83 CO -0.09 0.70 0.00 1.63 -0.67 0.00 0.00 178.83 180.41 1ufn n LYS 84 N -4.46 1.39 -2.45 1.46 5.02 -0.82 -4.85 118.16 113.45 1ufn n LYS 84 Ca 0.12 -0.45 -0.19 0.00 -2.02 0.00 0.00 58.31 55.78 1ufn n LYS 84 Cb 0.13 -1.27 -0.00 0.00 -0.02 0.00 0.00 35.03 33.87 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 0.49 -0.42 0.12 0.72 0.00 0.28 -4.88 105.19 101.49 1ufn n GLY 85 Ca 0.04 -0.06 -0.16 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.88 2.27 -4.30 0.99 4.77 0.96 -4.89 117.00 113.92 1ufn n LEU 86 Ca -0.21 -0.10 -0.36 0.00 -0.03 0.00 0.00 56.01 55.31 1ufn n LEU 86 Cb 0.66 -0.56 -0.13 0.00 -2.33 0.00 0.00 43.42 41.06 1ufn n LEU 86 CO 0.29 0.83 -0.32 -0.22 -1.33 0.00 0.00 177.39 176.63 1ufn s LEU 87 N -6.25 3.59 0.38 2.23 0.20 -1.06 -4.89 118.68 112.88 1ufn s LEU 87 Ca -0.29 -0.75 0.09 0.00 0.69 0.00 0.00 54.13 53.88 1ufn s LEU 87 Cb 0.08 -1.80 0.84 0.00 -0.43 0.00 0.00 46.19 44.88 1ufn s LEU 87 CO 0.64 -0.16 1.93 2.19 -0.29 0.00 0.00 176.35 180.66 1ufn h PHE 88 N 8.15 0.70 -6.33 5.38 -0.00 -1.92 -3.35 116.94 119.57 1ufn h PHE 88 Ca -0.32 0.02 -0.48 0.00 -0.00 0.00 0.00 57.97 57.19 1ufn h PHE 88 Cb 1.12 -0.23 -0.04 0.00 -0.00 0.00 0.00 35.95 36.81 1ufn h PHE 88 CO 0.60 0.32 -0.80 -1.13 -0.00 0.00 0.00 178.31 177.30 1ufn n SER 89 N -4.50 -3.21 -0.98 -0.68 3.41 -1.26 -4.57 113.62 101.82 1ufn n SER 89 Ca 0.13 -0.85 0.00 0.00 -0.26 0.00 0.00 58.87 57.89 1ufn n SER 89 Cb 0.35 -3.68 0.00 0.00 -0.26 0.00 0.00 64.21 60.62 1ufn n SER 89 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ufn n GLY 90 N -1.66 -3.62 3.77 5.00 0.00 -1.26 -4.88 105.19 102.52 1ufn n GLY 90 Ca -0.08 -1.01 -0.40 0.00 0.00 0.00 0.00 46.02 44.53 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 -4.86 4.42 -0.32 1.61 0.04 -1.26 -4.99 135.00 129.63 1ufn s PRO 91 Ca 0.00 2.04 -0.23 0.00 0.04 0.00 0.00 61.00 62.86 1ufn s PRO 91 Cb 0.00 -3.07 0.00 0.00 0.04 0.00 0.00 34.50 31.47 1ufn s PRO 91 CO 0.00 -0.07 0.74 -1.12 0.04 0.00 0.00 177.00 176.60 1ufn s SER 92 N -0.68 6.59 1.11 6.66 0.01 -1.26 -5.04 113.70 121.07 1ufn s SER 92 Ca 0.48 0.51 -0.12 0.00 1.31 0.00 0.00 55.95 58.13 1ufn s SER 92 Cb -0.36 -2.38 0.25 0.00 0.21 0.00 0.00 66.02 63.74 1ufn s SER 92 CO 0.47 -0.61 1.05 -0.94 0.41 0.00 0.00 173.24 173.62 1ufn s SER 93 N 1.69 1.46 0.00 2.44 1.04 -1.26 -5.31 113.70 113.76 1ufn s SER 93 Ca 0.30 1.58 0.00 0.00 0.48 0.00 0.00 55.95 58.31 1ufn s SER 93 Cb -0.14 -2.30 0.00 0.00 0.10 0.00 0.00 66.02 63.68 1ufn s SER 93 CO 0.14 -3.91 0.00 0.61 0.98 0.00 0.00 173.24 171.05