#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 7.24 0.01 1.61 0.15 -1.26 -5.00 113.70 116.45 1ufn s SER 2 Ca 0.00 2.00 -0.22 0.00 0.70 0.00 0.00 55.95 58.43 1ufn s SER 2 Cb 0.00 -2.60 -0.12 0.00 -1.71 0.00 0.00 66.02 61.59 1ufn s SER 2 CO 0.00 -0.15 1.02 -1.28 1.20 0.00 0.00 173.24 174.03 1ufn h SER 3 N 3.31 -0.67 0.00 5.45 0.87 -2.07 -3.45 113.55 116.99 1ufn h SER 3 Ca -0.47 0.02 -0.11 0.00 -1.23 0.00 0.00 61.79 60.00 1ufn h SER 3 Cb 1.20 0.17 -0.10 0.00 -0.44 0.00 0.00 62.40 63.23 1ufn h SER 3 CO 0.65 -0.35 0.08 0.61 -0.53 0.00 0.00 176.83 177.29 1ufn n GLY 4 N -0.53 -0.68 0.14 5.77 0.00 -1.26 -5.00 105.19 103.64 1ufn n GLY 4 Ca -0.10 0.22 -0.14 0.00 0.00 0.00 0.00 46.02 46.00 1ufn n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1ufn h SER 5 N 1.59 0.45 0.10 1.61 0.87 -2.00 -3.11 113.55 113.05 1ufn h SER 5 Ca -0.46 -0.54 -0.18 0.00 -1.23 0.00 0.00 61.79 59.38 1ufn h SER 5 Cb 1.23 -0.13 0.02 0.00 -0.44 0.00 0.00 62.40 63.08 1ufn h SER 5 CO -0.13 0.91 -0.75 -1.28 -0.53 0.00 0.00 176.83 175.05 1ufn h SER 6 N 0.01 0.49 -4.17 6.23 0.87 -1.98 -3.41 113.55 111.58 1ufn h SER 6 Ca 0.01 -0.90 -0.64 0.00 -1.23 0.00 0.00 61.79 59.03 1ufn h SER 6 Cb 0.83 -0.16 -0.41 0.00 -0.44 0.00 0.00 62.40 62.22 1ufn h SER 6 CO 0.05 1.34 -0.66 -0.83 -0.53 0.00 0.00 176.83 176.21 1ufn s GLY 7 N -4.32 2.28 -0.09 5.77 0.00 -1.25 -5.09 107.32 104.62 1ufn s GLY 7 Ca -0.13 -3.07 -0.02 0.00 0.00 0.00 0.00 44.72 41.49 1ufn s GLY 7 CO 0.83 1.03 0.00 0.21 0.00 0.00 0.00 173.10 175.17 1ufn s ASN 8 N 0.01 5.23 0.21 1.64 2.47 -1.18 -4.66 114.94 118.67 1ufn s ASN 8 Ca 0.16 0.13 0.09 0.00 0.42 0.00 0.00 52.86 53.66 1ufn s ASN 8 Cb -0.24 -1.52 -0.05 0.00 -1.45 0.00 0.00 41.25 37.99 1ufn s ASN 8 CO -0.02 0.36 -0.18 -1.81 -3.72 0.00 0.00 177.10 171.73 1ufn s ASP 9 N -0.75 2.96 -0.02 -4.21 1.01 -1.26 -5.02 116.67 109.38 1ufn s ASP 9 Ca 0.12 -0.96 0.02 0.00 0.71 0.00 0.00 52.55 52.43 1ufn s ASP 9 Cb -0.12 -0.20 0.07 0.00 1.01 0.00 0.00 42.92 43.69 1ufn s ASP 9 CO 0.02 -0.05 0.73 0.00 0.21 0.00 0.00 175.17 176.08 1ufn n ALA 10 N -0.19 2.59 -0.32 5.23 0.00 -1.26 -4.19 120.51 122.37 1ufn n ALA 10 Ca -0.09 -0.16 0.09 0.00 0.00 0.00 0.00 53.44 53.27 1ufn n ALA 10 Cb 0.59 -1.01 0.26 0.00 0.00 0.00 0.00 19.45 19.29 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 0.38 0.73 -0.60 0.00 -1.51 -2.01 0.34 116.25 113.58 1ufn h VAL 11 Ca 0.00 -0.24 0.00 0.00 -1.23 0.00 0.00 66.70 65.23 1ufn h VAL 11 Cb 0.50 -0.02 0.00 0.00 -2.13 0.00 0.00 31.29 29.64 1ufn h VAL 11 CO 0.03 0.13 0.00 -0.67 -1.23 0.00 0.00 177.57 175.83 1ufn n ASP 12 N -4.82 4.44 -0.06 4.19 -0.08 -1.26 -4.17 116.55 114.79 1ufn n ASP 12 Ca 0.19 -2.41 -0.07 0.00 -1.51 0.00 0.00 54.79 50.99 1ufn n ASP 12 Cb 0.47 -0.56 -0.07 0.00 2.34 0.00 0.00 41.12 43.30 1ufn n ASP 12 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65 1ufn n PHE 13 N 1.03 0.00 0.40 -0.67 7.35 0.99 -4.36 117.46 122.20 1ufn n PHE 13 Ca 0.24 0.00 -0.17 0.00 -0.76 0.00 0.00 57.45 56.76 1ufn n PHE 13 Cb 0.83 -0.50 -0.08 0.00 0.35 0.00 0.00 39.48 40.09 1ufn n PHE 13 CO 0.00 0.00 0.00 0.77 -0.76 0.00 0.00 176.76 176.77 1ufn h SER 14 N 0.00 -0.87 0.00 -2.13 0.02 -1.16 -2.79 113.55 106.62 1ufn h SER 14 Ca -0.28 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 1ufn h SER 14 Cb 1.52 0.22 0.00 0.00 0.14 0.00 0.00 62.40 64.29 1ufn h SER 14 CO -0.02 -0.52 0.00 -0.81 -1.14 0.00 0.00 176.83 174.34 1ufn n PRO 15 N -5.47 0.49 -4.63 3.45 -0.04 -1.26 -4.66 135.00 122.87 1ufn n PRO 15 Ca -0.13 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.09 1ufn n PRO 15 Cb 0.41 -1.31 -0.14 0.00 -0.04 0.00 0.00 33.50 32.42 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 1.39 -0.01 0.52 -4.23 -1.05 -1.03 115.64 109.22 1ufn s THR 16 Ca 0.15 -0.96 0.02 0.00 -1.18 0.00 0.00 61.69 59.72 1ufn s THR 16 Cb 0.07 -1.20 0.00 0.00 1.34 0.00 0.00 72.50 72.71 1ufn s THR 16 CO 0.11 0.22 -0.06 -0.76 -0.54 0.00 0.00 174.62 173.59 1ufn s LEU 17 N -0.86 1.85 -0.28 4.79 1.43 -0.17 -4.76 118.68 120.68 1ufn s LEU 17 Ca 0.06 -0.13 -0.29 0.00 -1.03 0.00 0.00 54.13 52.74 1ufn s LEU 17 Cb -0.08 -0.38 -0.02 0.00 0.03 0.00 0.00 46.19 45.75 1ufn s LEU 17 CO 0.01 0.05 1.65 -2.16 0.23 0.00 0.00 176.35 176.13 1ufn s PRO 18 N 0.09 3.62 0.23 1.29 0.04 -1.26 -1.09 135.00 137.91 1ufn s PRO 18 Ca -0.01 1.50 0.09 0.00 0.04 0.00 0.00 61.00 62.63 1ufn s PRO 18 Cb -0.06 -4.09 -0.04 0.00 0.04 0.00 0.00 34.50 30.36 1ufn s PRO 18 CO -0.00 -1.50 -0.07 0.14 0.04 0.00 0.00 177.00 175.61 1ufn s VAL 19 N 5.76 3.23 -0.21 -0.36 -7.23 -1.10 -4.17 120.40 116.32 1ufn s VAL 19 Ca 0.73 -1.84 -0.14 0.00 -1.81 0.00 0.00 61.98 58.92 1ufn s VAL 19 Cb -0.23 -2.66 0.06 0.00 0.56 0.00 0.00 36.38 34.11 1ufn s VAL 19 CO 0.31 -0.25 0.52 0.42 -0.31 0.00 0.00 175.10 175.80 1ufn s THR 20 N -2.04 -0.01 -0.15 5.32 -4.23 0.28 -2.13 115.64 112.68 1ufn s THR 20 Ca 0.28 0.04 -0.02 0.00 -1.18 0.00 0.00 61.69 60.81 1ufn s THR 20 Cb -0.07 -0.76 0.05 0.00 1.34 0.00 0.00 72.50 73.06 1ufn s THR 20 CO 0.17 0.02 0.00 0.00 -0.54 0.00 0.00 174.62 174.27 1ufn n GLY 22 N 5.03 0.69 0.45 0.00 0.00 -1.26 -0.31 105.19 109.79 1ufn n GLY 22 Ca -0.09 0.57 0.06 0.00 0.00 0.00 0.00 46.02 46.56 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 2.56 -4.55 1.61 0.00 -1.26 -5.00 118.16 111.52 1ufn n LYS 23 Ca 0.00 -2.29 -0.32 0.00 -0.00 0.00 0.00 58.31 55.70 1ufn n LYS 23 Cb 0.00 -1.44 -0.11 0.00 -0.00 0.00 0.00 35.03 33.48 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 -1.97 2.92 -0.02 0.58 0.00 0.58 -4.93 121.76 118.92 1ufn s ALA 24 Ca 0.26 -1.02 0.02 0.00 0.00 0.00 0.00 51.96 51.22 1ufn s ALA 24 Cb 0.20 -1.07 0.00 0.00 0.00 0.00 0.00 23.12 22.25 1ufn s ALA 24 CO 0.07 0.60 -0.09 0.15 0.00 0.00 0.00 175.76 176.50 1ufn s LYS 25 N -1.28 0.87 0.00 0.00 1.02 -1.26 -0.94 119.74 118.15 1ufn s LYS 25 Ca 0.16 -0.30 0.00 0.00 0.02 0.00 0.00 55.97 55.85 1ufn s LYS 25 Cb -0.11 -0.82 0.00 0.00 -0.52 0.00 0.00 37.83 36.38 1ufn s LYS 25 CO 0.06 0.13 0.00 0.41 -0.92 0.00 0.00 175.35 175.02 1ufn n GLY 26 N 3.19 3.55 3.21 -3.33 0.00 -0.90 -3.63 105.19 107.28 1ufn n GLY 26 Ca -0.17 -0.65 -0.10 0.00 0.00 0.00 0.00 46.02 45.10 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 -1.36 -0.37 0.04 2.61 2.01 0.29 -2.71 115.64 116.14 1ufn s THR 27 Ca 0.00 0.16 -0.24 0.00 0.31 0.00 0.00 61.69 61.92 1ufn s THR 27 Cb 0.00 -0.59 -0.05 0.00 0.01 0.00 0.00 72.50 71.86 1ufn s THR 27 CO 0.00 0.07 0.74 -0.22 -0.69 0.00 0.00 174.62 174.52 1ufn s LEU 28 N 2.11 4.44 -0.40 4.42 2.96 -0.25 -0.99 118.68 130.97 1ufn s LEU 28 Ca -0.04 1.41 -0.04 0.00 -0.22 0.00 0.00 54.13 55.23 1ufn s LEU 28 Cb -0.11 -3.19 0.10 0.00 0.50 0.00 0.00 46.19 43.49 1ufn s LEU 28 CO -0.12 0.02 0.20 -0.36 -1.32 0.00 0.00 176.35 174.78 1ufn s PHE 29 N -0.06 3.50 0.34 5.38 0.40 -1.12 -1.00 117.98 125.42 1ufn s PHE 29 Ca 0.38 -2.16 0.13 0.00 -0.60 0.00 0.00 56.93 54.67 1ufn s PHE 29 Cb -0.20 -3.08 1.07 0.00 0.51 0.00 0.00 43.02 41.32 1ufn s PHE 29 CO 0.22 -0.94 1.62 1.96 0.70 0.00 0.00 175.22 178.78 1ufn h GLN 30 N 8.14 0.14 -0.82 0.44 4.20 -1.45 0.93 115.11 126.69 1ufn h GLN 30 Ca -0.16 -0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.56 1ufn h GLN 30 Cb 1.06 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 28.76 1ufn h GLN 30 CO 0.70 0.09 0.53 1.49 -0.67 0.00 0.00 178.83 180.98 1ufn h GLU 31 N 0.14 1.04 -0.02 1.46 4.81 -1.94 -0.26 114.58 119.82 1ufn h GLU 31 Ca 0.73 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.89 1ufn h GLU 31 Cb 1.72 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 30.87 1ufn h GLU 31 CO -0.72 0.68 0.00 1.63 -0.73 0.00 0.00 179.01 179.87 1ufn n LYS 32 N -4.54 1.49 -0.07 1.92 5.02 0.29 -3.80 118.16 118.46 1ufn n LYS 32 Ca 0.09 -0.72 -0.17 0.00 -2.02 0.00 0.00 58.31 55.49 1ufn n LYS 32 Cb 0.05 -1.48 -0.13 0.00 -0.02 0.00 0.00 35.03 33.44 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 -0.13 2.23 0.08 -0.35 7.94 0.68 -4.43 117.00 123.03 1ufn n LEU 33 Ca 0.20 0.04 -0.13 0.00 -1.11 0.00 0.00 56.01 55.01 1ufn n LEU 33 Cb 0.29 -0.66 -0.08 0.00 0.53 0.00 0.00 43.42 43.50 1ufn n LEU 33 CO 0.17 0.80 0.51 0.11 -1.11 0.00 0.00 177.39 177.86 1ufn h LYS 34 N 0.02 -0.58 -0.73 1.96 1.57 -1.21 -2.37 116.57 115.24 1ufn h LYS 34 Ca -0.50 0.04 0.11 0.00 -1.87 0.00 0.00 60.65 58.43 1ufn h LYS 34 Cb 2.00 0.13 -0.12 0.00 0.08 0.00 0.00 32.23 34.33 1ufn h LYS 34 CO -0.00 -0.38 -0.29 1.04 -0.57 0.00 0.00 179.45 179.25 1ufn n GLN 35 N -4.93 -0.17 0.00 3.15 3.00 -1.26 -4.77 117.38 112.40 1ufn n GLN 35 Ca -0.07 1.12 0.00 0.00 -0.01 0.00 0.00 57.00 58.04 1ufn n GLN 35 Cb 0.34 -1.66 0.00 0.00 0.00 0.00 0.00 30.24 28.91 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 -1.34 1.34 0.08 1.08 0.00 -0.89 -4.98 105.19 100.49 1ufn n GLY 36 Ca 0.07 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.26 2.44 -0.01 4.61 0.00 -1.26 -2.85 120.51 123.17 1ufn n ALA 37 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.50 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 0.45 0.00 0.00 0.00 177.50 177.95 1ufn n SER 38 N -0.41 1.79 -4.75 0.00 2.88 -1.26 -3.46 113.62 108.41 1ufn n SER 38 Ca 0.00 0.00 -0.40 0.00 -1.33 0.00 0.00 58.87 57.14 1ufn n SER 38 Cb 0.04 1.56 -0.06 0.00 -0.75 0.00 0.00 64.21 65.00 1ufn n SER 38 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1ufn s LYS 39 N -2.91 4.79 -0.48 -1.46 -0.14 -1.13 -4.70 119.74 113.71 1ufn s LYS 39 Ca -0.05 1.44 -0.27 0.00 -1.36 0.00 0.00 55.97 55.73 1ufn s LYS 39 Cb 0.08 -3.30 -0.08 0.00 -1.68 0.00 0.00 37.83 32.85 1ufn s LYS 39 CO 0.58 0.45 2.40 1.63 -0.76 0.00 0.00 175.35 179.65 1ufn n LYS 40 N 1.80 1.10 -0.02 1.68 4.76 -1.26 -4.42 118.16 121.81 1ufn n LYS 40 Ca -0.01 0.10 -0.01 0.00 -2.87 0.00 0.00 58.31 55.52 1ufn n LYS 40 Cb 0.48 -3.19 -0.04 0.00 -1.84 0.00 0.00 35.03 30.44 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 -2.19 4.60 -0.26 0.00 1.01 -0.81 -2.77 121.20 120.77 1ufn s ILE 42 Ca -0.02 1.14 -0.10 0.00 0.00 0.00 0.00 60.65 61.67 1ufn s ILE 42 Cb 0.02 -4.32 -0.05 0.00 0.01 0.00 0.00 42.46 38.12 1ufn s ILE 42 CO 0.20 -0.53 0.17 -1.58 0.00 0.00 0.00 174.94 173.20 1ufn s GLN 43 N 3.43 3.96 0.95 2.79 0.74 -0.16 0.14 119.66 131.51 1ufn s GLN 43 Ca 0.37 -0.32 -0.14 0.00 0.05 0.00 0.00 55.36 55.32 1ufn s GLN 43 Cb -0.12 -3.58 0.17 0.00 1.10 0.00 0.00 33.01 30.58 1ufn s GLN 43 CO 0.19 -0.10 1.19 0.54 -0.55 0.00 0.00 175.29 176.55 1ufn s ASN 44 N 1.51 3.19 0.58 6.67 2.20 -0.62 -0.55 114.94 127.92 1ufn s ASN 44 Ca 0.07 0.70 0.27 0.00 -0.94 0.00 0.00 52.86 52.96 1ufn s ASN 44 Cb -0.15 -1.08 1.64 0.00 -2.00 0.00 0.00 41.25 39.66 1ufn s ASN 44 CO 0.08 -2.72 2.15 -0.33 -2.94 0.00 0.00 177.10 173.34 1ufn h GLU 45 N -1.62 0.00 0.00 3.55 3.07 -1.90 0.29 114.58 117.97 1ufn h GLU 45 Ca -0.47 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.39 1ufn h GLU 45 Cb 1.30 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.21 1ufn h GLU 45 CO 0.52 0.00 0.00 0.00 -1.40 0.00 0.00 179.01 178.13 1ufn n ALA 46 N -2.38 2.23 0.00 3.43 0.00 -1.26 -4.90 120.51 117.63 1ufn n ALA 46 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1ufn n ALA 46 Cb 0.24 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.25 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 1.25 3.40 3.69 0.00 0.00 0.10 -5.03 105.19 108.60 1ufn n GLY 47 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.88 6.68 0.62 1.61 1.01 -1.26 -4.57 116.67 119.89 1ufn s ASP 48 Ca 0.00 2.37 -0.13 0.00 0.71 0.00 0.00 52.55 55.50 1ufn s ASP 48 Cb 0.00 -2.56 -0.03 0.00 1.01 0.00 0.00 42.92 41.34 1ufn s ASP 48 CO 0.00 -0.83 1.04 0.26 0.21 0.00 0.00 175.17 175.85 1ufn s TRP 49 N 2.46 3.25 -0.05 4.23 0.52 -1.26 -1.59 118.94 126.50 1ufn s TRP 49 Ca 0.70 1.42 -0.09 0.00 0.02 0.00 0.00 56.10 58.16 1ufn s TRP 49 Cb -0.37 -2.86 0.02 0.00 -1.15 0.00 0.00 33.47 29.10 1ufn s TRP 49 CO 0.30 -0.94 0.21 -0.51 0.02 0.00 0.00 176.95 176.03 1ufn s LEU 50 N -4.96 1.22 0.37 2.99 1.43 0.38 -4.91 118.68 115.20 1ufn s LEU 50 Ca 0.59 0.20 -0.26 0.00 -1.03 0.00 0.00 54.13 53.63 1ufn s LEU 50 Cb -0.13 0.82 -0.09 0.00 0.03 0.00 0.00 46.19 46.82 1ufn s LEU 50 CO 0.46 -0.22 1.14 0.42 0.23 0.00 0.00 176.35 178.39 1ufn s THR 51 N -0.54 3.28 0.37 5.49 -4.23 -1.26 -1.93 115.64 116.83 1ufn s THR 51 Ca -0.06 1.11 0.32 0.00 -1.18 0.00 0.00 61.69 61.87 1ufn s THR 51 Cb -0.04 -3.64 0.47 0.00 1.34 0.00 0.00 72.50 70.63 1ufn s THR 51 CO 0.01 0.13 1.14 0.52 -0.54 0.00 0.00 174.62 175.89 1ufn n VAL 52 N 0.30 -0.08 -0.04 2.29 0.31 -1.22 0.13 118.33 120.02 1ufn n VAL 52 Ca 0.03 1.19 -0.10 0.00 -0.01 0.00 0.00 64.34 65.45 1ufn n VAL 52 Cb 0.46 -1.97 -0.08 0.00 -0.91 0.00 0.00 33.84 31.34 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 -0.04 -0.30 5.55 3.11 -1.89 -3.35 116.57 119.66 1ufn h LYS 53 Ca 0.67 0.00 0.04 0.00 -2.81 0.00 0.00 60.65 58.55 1ufn h LYS 53 Cb 2.49 0.01 -0.06 0.00 -1.00 0.00 0.00 32.23 33.67 1ufn h LYS 53 CO -0.15 0.57 -0.40 0.93 -2.81 0.00 0.00 179.45 177.59 1ufn h GLU 54 N -0.96 -0.28 -0.74 1.90 4.39 0.74 0.33 114.58 119.96 1ufn h GLU 54 Ca -0.00 0.02 0.26 0.00 0.34 0.00 0.00 59.36 59.97 1ufn h GLU 54 Cb 0.63 0.06 -0.14 0.00 -0.10 0.00 0.00 28.75 29.20 1ufn h GLU 54 CO 0.01 -0.18 0.22 0.34 -1.16 0.00 0.00 179.01 178.23 1ufn n PHE 55 N -4.63 0.68 0.31 4.33 7.35 -0.88 0.10 117.46 124.72 1ufn n PHE 55 Ca -0.03 0.88 -0.17 0.00 -0.76 0.00 0.00 57.45 57.38 1ufn n PHE 55 Cb 0.25 -1.18 -0.09 0.00 0.35 0.00 0.00 39.48 38.81 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 -0.62 -0.94 -2.13 3.38 -1.06 -2.74 115.31 111.20 1ufn h LEU 56 Ca 0.54 0.02 0.23 0.00 0.09 0.00 0.00 57.88 58.76 1ufn h LEU 56 Cb 1.31 0.16 -0.12 0.00 0.09 0.00 0.00 40.66 42.10 1ufn h LEU 56 CO -0.63 -0.44 0.49 -1.13 0.09 0.00 0.00 178.44 176.82 1ufn h ASN 57 N -0.74 0.50 -0.83 -0.43 -0.73 0.89 0.51 115.58 114.75 1ufn h ASN 57 Ca -0.08 0.14 0.18 0.00 1.87 0.00 0.00 56.30 58.42 1ufn h ASN 57 Cb 0.57 0.08 -0.06 0.00 0.27 0.00 0.00 38.32 39.18 1ufn h ASN 57 CO 0.12 0.06 0.56 -0.33 -0.37 0.00 0.00 177.43 177.47 1ufn h GLU 58 N 0.50 0.37 0.06 6.67 4.39 -1.08 -2.39 114.58 123.09 1ufn h GLU 58 Ca 0.59 -0.02 -0.36 0.00 0.34 0.00 0.00 59.36 59.91 1ufn h GLU 58 Cb 1.12 -0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 29.64 1ufn h GLU 58 CO -0.49 0.25 -2.12 0.41 -1.16 0.00 0.00 179.01 175.89 1ufn n GLY 59 N -1.53 -0.61 0.00 -3.84 0.00 0.14 -4.60 105.19 94.75 1ufn n GLY 59 Ca 0.17 -0.22 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 1.97 1.70 0.25 -0.02 0.00 0.78 -4.50 105.19 105.37 1ufn n GLY 60 Ca -0.33 0.00 0.08 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 -0.03 1.96 -0.34 1.61 5.12 -1.02 -4.74 116.66 119.22 1ufn n ARG 61 Ca 0.00 -2.44 0.17 0.00 -1.93 0.00 0.00 57.85 53.65 1ufn n ARG 61 Cb 0.00 -1.48 0.37 0.00 -1.16 0.00 0.00 32.46 30.20 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 0.46 1.73 -0.85 7.54 0.00 -1.88 0.20 119.26 126.45 1ufn h ALA 62 Ca 0.00 0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1ufn h ALA 62 Cb 1.00 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.79 1ufn h ALA 62 CO 0.04 -0.29 0.52 0.00 0.00 0.00 0.00 179.25 179.52 1ufn h THR 63 N 0.54 1.23 -3.10 0.00 1.03 -1.97 -3.42 112.91 107.22 1ufn h THR 63 Ca 0.63 -0.50 -0.53 0.00 -0.01 0.00 0.00 66.41 66.00 1ufn h THR 63 Cb 1.21 0.04 0.07 0.00 -1.07 0.00 0.00 68.15 68.39 1ufn h THR 63 CO -0.49 0.24 0.90 -0.44 -0.01 0.00 0.00 175.52 175.72 1ufn s SER 64 N -6.07 6.45 -0.09 0.00 0.01 0.70 -4.95 113.70 109.75 1ufn s SER 64 Ca -0.13 2.83 -0.01 0.00 1.31 0.00 0.00 55.95 59.95 1ufn s SER 64 Cb 0.16 -2.62 -0.00 0.00 0.21 0.00 0.00 66.02 63.77 1ufn s SER 64 CO 0.81 -0.88 -0.02 0.11 0.41 0.00 0.00 173.24 173.66 1ufn h LYS 65 N 5.66 0.00 -5.94 12.44 1.57 -1.83 -3.44 116.57 125.03 1ufn h LYS 65 Ca -0.45 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 57.74 1ufn h LYS 65 Cb 1.21 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.52 1ufn h LYS 65 CO 0.85 0.00 1.51 -0.25 -0.57 0.00 0.00 179.45 180.99 1ufn n ASP 66 N -4.43 3.03 0.08 0.86 9.92 -1.26 -4.83 116.55 119.94 1ufn n ASP 66 Ca -0.01 0.15 -0.10 0.00 -0.53 0.00 0.00 54.79 54.29 1ufn n ASP 66 Cb 0.04 -1.53 -0.06 0.00 -0.64 0.00 0.00 41.12 38.93 1ufn n ASP 66 CO 0.00 0.00 0.00 4.11 0.13 0.00 0.00 177.20 181.44 1ufn h TRP 67 N 15.29 0.29 0.00 1.24 5.08 -1.93 -3.02 115.95 132.90 1ufn h TRP 67 Ca -0.38 -0.18 -0.03 0.00 1.08 0.00 0.00 58.89 59.38 1ufn h TRP 67 Cb 1.25 -0.02 -0.00 0.00 -3.00 0.00 0.00 29.16 27.38 1ufn h TRP 67 CO 0.94 1.06 -0.12 0.87 -1.28 0.00 0.00 178.44 179.91 1ufn h LYS 68 N 0.08 0.00 0.10 0.12 1.57 -1.88 -0.14 116.57 116.42 1ufn h LYS 68 Ca -0.06 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.50 1ufn h LYS 68 Cb 1.68 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.99 1ufn h LYS 68 CO 0.15 0.12 -1.08 0.78 -0.57 0.00 0.00 179.45 178.85 1ufn h GLY 69 N 0.82 0.25 1.27 3.86 0.00 -1.92 -0.34 103.07 107.02 1ufn h GLY 69 Ca -0.00 -0.63 -0.13 0.00 0.00 0.00 0.00 47.33 46.57 1ufn h GLY 69 CO 0.02 0.55 -0.28 -0.39 0.00 0.00 0.00 176.54 176.44 1ufn h VAL 70 N -0.45 1.27 -3.75 4.60 -1.51 -1.40 -3.44 116.25 111.57 1ufn h VAL 70 Ca -0.23 -1.42 -0.49 0.00 -1.23 0.00 0.00 66.70 63.33 1ufn h VAL 70 Cb 1.61 1.27 -0.02 0.00 -2.13 0.00 0.00 31.29 32.02 1ufn h VAL 70 CO 0.06 0.47 0.29 -0.63 -1.23 0.00 0.00 177.57 176.53 1ufn s ILE 71 N -4.53 4.25 -0.01 7.19 1.01 -0.08 -4.68 121.20 124.35 1ufn s ILE 71 Ca -0.10 1.79 0.02 0.00 0.00 0.00 0.00 60.65 62.37 1ufn s ILE 71 Cb 0.12 -4.09 -0.00 0.00 0.01 0.00 0.00 42.46 38.50 1ufn s ILE 71 CO 0.85 0.30 -0.07 -0.13 0.00 0.00 0.00 174.94 175.89 1ufn s ARG 72 N -1.68 0.69 -0.02 2.79 0.52 -0.40 -3.27 118.95 117.58 1ufn s ARG 72 Ca 0.45 -0.26 -0.01 0.00 -0.52 0.00 0.00 55.73 55.39 1ufn s ARG 72 Cb -0.21 -0.67 -0.00 0.00 0.52 0.00 0.00 34.95 34.59 1ufn s ARG 72 CO 0.26 0.13 -0.01 0.00 0.02 0.00 0.00 175.30 175.70 1ufn n ASN 74 N -2.48 2.61 0.00 0.00 3.02 -1.26 -4.44 115.26 112.71 1ufn n ASN 74 Ca -0.00 -2.85 0.00 0.00 -0.03 0.00 0.00 54.58 51.69 1ufn n ASN 74 Cb 0.02 -0.37 0.00 0.00 -0.61 0.00 0.00 39.78 38.81 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 -1.02 1.03 3.58 7.41 0.00 -1.26 -5.13 105.19 109.81 1ufn n GLY 75 Ca 0.14 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.91 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 0.00 1.96 0.07 1.61 8.01 -1.26 -5.02 118.70 124.07 1ufn s GLU 76 Ca 0.00 -1.80 -0.30 0.00 0.01 0.00 0.00 54.97 52.88 1ufn s GLU 76 Cb 0.00 -1.85 -0.05 0.00 -4.31 0.00 0.00 34.13 27.92 1ufn s GLU 76 CO 0.00 0.17 1.05 0.95 0.01 0.00 0.00 175.26 177.44 1ufn s THR 77 N -2.54 4.40 0.33 3.63 -4.23 -1.26 -2.45 115.64 113.52 1ufn s THR 77 Ca 0.33 1.84 0.13 0.00 -1.18 0.00 0.00 61.69 62.81 1ufn s THR 77 Cb -0.00 -4.18 0.35 0.00 1.34 0.00 0.00 72.50 70.02 1ufn s THR 77 CO 0.18 0.21 1.48 0.18 -0.54 0.00 0.00 174.62 176.13 1ufn n LEU 78 N 3.36 0.17 -0.17 4.79 4.77 -0.14 0.12 117.00 129.90 1ufn n LEU 78 Ca 0.05 1.58 -0.02 0.00 -0.03 0.00 0.00 56.01 57.59 1ufn n LEU 78 Cb 0.49 -0.70 0.07 0.00 -2.33 0.00 0.00 43.42 40.95 1ufn n LEU 78 CO 0.53 -1.71 0.93 -0.09 -1.33 0.00 0.00 177.39 175.72 1ufn h ARG 79 N 0.00 0.27 -0.61 3.23 1.12 -1.90 -1.43 114.38 115.06 1ufn h ARG 79 Ca 0.72 -0.02 0.06 0.00 -1.11 0.00 0.00 59.98 59.63 1ufn h ARG 79 Cb 1.77 -0.06 -0.05 0.00 -0.01 0.00 0.00 29.97 31.62 1ufn h ARG 79 CO -0.79 0.18 0.32 1.25 -3.11 0.00 0.00 179.97 177.83 1ufn h HIS 80 N 0.28 0.59 -0.72 2.20 2.76 0.62 -1.90 115.15 118.98 1ufn h HIS 80 Ca 0.26 0.02 0.01 0.00 -2.20 0.00 0.00 60.37 58.46 1ufn h HIS 80 Cb 0.33 -0.17 -0.04 0.00 1.55 0.00 0.00 27.41 29.08 1ufn h HIS 80 CO -0.21 0.27 0.47 -0.07 -1.30 0.00 0.00 177.93 177.10 1ufn h LEU 81 N 0.60 0.81 -1.09 0.26 3.38 -1.08 -1.77 115.31 116.42 1ufn h LEU 81 Ca 0.28 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.24 1ufn h LEU 81 Cb 0.19 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 1ufn h LEU 81 CO -0.19 0.59 0.60 -0.08 0.09 0.00 0.00 178.44 179.45 1ufn h GLU 82 N 0.96 1.21 -0.01 1.13 4.81 -0.57 -1.32 114.58 120.79 1ufn h GLU 82 Ca 0.27 -0.08 -0.10 0.00 -0.13 0.00 0.00 59.36 59.32 1ufn h GLU 82 Cb -0.10 -0.27 -0.01 0.00 0.63 0.00 0.00 28.75 29.00 1ufn h GLU 82 CO -0.06 0.81 -0.46 1.96 -0.73 0.00 0.00 179.01 180.53 1ufn h GLN 83 N 1.24 0.02 -0.03 1.92 1.08 -0.78 -2.27 115.11 116.29 1ufn h GLN 83 Ca 0.33 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.53 1ufn h GLN 83 Cb -0.13 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.30 1ufn h GLN 83 CO -0.07 0.47 0.00 1.63 -0.95 0.00 0.00 178.83 179.91 1ufn n LYS 84 N -4.00 1.11 -1.40 1.46 4.76 -0.66 -4.86 118.16 114.58 1ufn n LYS 84 Ca -0.02 -0.16 -0.13 0.00 -2.87 0.00 0.00 58.31 55.13 1ufn n LYS 84 Cb 0.48 -1.20 -0.06 0.00 -1.84 0.00 0.00 35.03 32.42 1ufn n LYS 84 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ufn n GLY 85 N 0.73 1.40 0.13 0.72 0.00 -0.85 -4.87 105.19 102.44 1ufn n GLY 85 Ca 0.09 -0.40 -0.23 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.53 2.48 -4.87 0.99 4.77 -0.59 -4.97 117.00 113.28 1ufn n LEU 86 Ca -0.13 0.12 -0.30 0.00 -0.03 0.00 0.00 56.01 55.67 1ufn n LEU 86 Cb 0.44 -0.91 -0.05 0.00 -2.33 0.00 0.00 43.42 40.57 1ufn n LEU 86 CO 0.20 0.74 -0.19 -0.22 -1.33 0.00 0.00 177.39 176.60 1ufn s LEU 87 N -7.06 4.13 -0.19 2.23 2.96 -0.96 -4.94 118.68 114.85 1ufn s LEU 87 Ca -0.34 0.14 0.09 0.00 -0.22 0.00 0.00 54.13 53.79 1ufn s LEU 87 Cb 0.10 -2.76 -0.22 0.00 0.50 0.00 0.00 46.19 43.82 1ufn s LEU 87 CO 0.58 0.15 0.07 2.22 -1.32 0.00 0.00 176.35 178.06 1ufn n PHE 88 N 0.21 0.27 -3.97 5.38 -1.74 -1.26 -4.09 117.46 112.26 1ufn n PHE 88 Ca -0.07 0.08 -0.31 0.00 -0.56 0.00 0.00 57.45 56.59 1ufn n PHE 88 Cb 0.52 -1.04 0.02 0.00 1.52 0.00 0.00 39.48 40.49 1ufn n PHE 88 CO 0.00 0.00 0.00 0.45 -0.56 0.00 0.00 176.76 176.65 1ufn n SER 89 N -3.05 -4.44 0.00 5.98 2.88 -1.26 -4.45 113.62 109.28 1ufn n SER 89 Ca -0.35 -0.83 0.00 0.00 -1.33 0.00 0.00 58.87 56.36 1ufn n SER 89 Cb 1.07 -3.66 0.00 0.00 -0.75 0.00 0.00 64.21 60.87 1ufn n SER 89 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ufn n GLY 90 N -1.64 -3.16 0.00 0.46 0.00 -1.26 -4.45 105.19 95.14 1ufn n GLY 90 Ca 0.04 -2.09 0.06 0.00 0.00 0.00 0.00 46.02 44.02 1ufn n GLY 90 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ufn n PRO 91 N -0.00 0.49 -1.47 1.61 -0.04 -1.26 -4.80 135.00 129.52 1ufn n PRO 91 Ca 0.00 0.00 -0.48 0.00 -0.04 0.00 0.00 63.50 62.98 1ufn n PRO 91 Cb 0.00 -1.36 -0.07 0.00 -0.04 0.00 0.00 33.50 32.03 1ufn n PRO 91 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1ufn n SER 92 N -0.86 2.22 -4.63 3.54 3.41 -1.26 -4.84 113.62 111.20 1ufn n SER 92 Ca 0.08 0.31 -0.43 0.00 -0.26 0.00 0.00 58.87 58.57 1ufn n SER 92 Cb 0.04 -1.31 -0.03 0.00 -0.26 0.00 0.00 64.21 62.65 1ufn n SER 92 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1ufn s SER 93 N 7.88 6.05 0.00 4.04 0.15 -1.26 -4.97 113.70 125.59 1ufn s SER 93 Ca 1.09 1.97 0.00 0.00 0.70 0.00 0.00 55.95 59.70 1ufn s SER 93 Cb -0.76 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.03 1ufn s SER 93 CO 0.45 -1.47 0.00 0.61 1.20 0.00 0.00 173.24 174.03