#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 5.51 0.22 1.61 0.01 -1.26 -5.10 113.70 114.68 1ufn s SER 2 Ca 0.00 0.06 0.01 0.00 1.31 0.00 0.00 55.95 57.33 1ufn s SER 2 Cb 0.00 -1.92 -0.04 0.00 0.21 0.00 0.00 66.02 64.27 1ufn s SER 2 CO 0.00 0.19 0.38 -0.44 0.41 0.00 0.00 173.24 173.78 1ufn s SER 3 N 0.30 6.35 0.00 2.44 0.01 -1.26 -5.01 113.70 116.52 1ufn s SER 3 Ca 0.02 0.29 0.00 0.00 1.31 0.00 0.00 55.95 57.57 1ufn s SER 3 Cb -0.13 -1.96 0.00 0.00 0.21 0.00 0.00 66.02 64.14 1ufn s SER 3 CO 0.01 -0.06 0.00 0.61 0.41 0.00 0.00 173.24 174.21 1ufn n GLY 4 N -0.93 0.00 3.70 3.44 0.00 -1.26 -5.09 105.19 105.05 1ufn n GLY 4 Ca -0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.61 1ufn n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ufn s SER 5 N -3.29 5.35 -0.19 1.61 0.15 -1.26 -5.10 113.70 110.97 1ufn s SER 5 Ca 0.00 0.18 -0.04 0.00 0.70 0.00 0.00 55.95 56.79 1ufn s SER 5 Cb 0.00 -1.53 -0.02 0.00 -1.71 0.00 0.00 66.02 62.76 1ufn s SER 5 CO 0.00 0.38 -0.04 -0.55 1.20 0.00 0.00 173.24 174.23 1ufn s SER 6 N -0.90 4.50 0.46 5.45 0.15 -1.26 -5.11 113.70 117.00 1ufn s SER 6 Ca 0.13 -0.28 0.07 0.00 0.70 0.00 0.00 55.95 56.57 1ufn s SER 6 Cb -0.11 -1.76 -0.00 0.00 -1.71 0.00 0.00 66.02 62.44 1ufn s SER 6 CO 0.02 0.06 0.38 -0.83 1.20 0.00 0.00 173.24 174.07 1ufn s GLY 7 N 1.01 2.22 -0.15 9.45 0.00 -1.26 -5.09 107.32 113.51 1ufn s GLY 7 Ca 0.01 -1.74 -0.27 0.00 0.00 0.00 0.00 44.72 42.71 1ufn s GLY 7 CO 0.01 -1.80 0.93 0.54 0.00 0.00 0.00 173.10 172.77 1ufn s ASN 8 N -4.17 7.09 0.25 1.64 2.20 -1.26 -5.02 114.94 115.67 1ufn s ASN 8 Ca 0.43 1.35 -0.30 0.00 -0.94 0.00 0.00 52.86 53.40 1ufn s ASN 8 Cb -0.02 -2.51 -0.09 0.00 -2.00 0.00 0.00 41.25 36.63 1ufn s ASN 8 CO 0.26 -0.45 1.09 -1.81 -2.94 0.00 0.00 177.10 173.24 1ufn s ASP 9 N 1.13 7.30 0.14 3.54 1.11 -1.26 -5.05 116.67 123.58 1ufn s ASP 9 Ca 0.43 2.20 0.08 0.00 0.18 0.00 0.00 52.55 55.44 1ufn s ASP 9 Cb -0.17 -2.62 -0.04 0.00 1.07 0.00 0.00 42.92 41.16 1ufn s ASP 9 CO 0.14 -0.14 -0.17 0.00 1.18 0.00 0.00 175.17 176.18 1ufn s ALA 10 N -0.93 1.81 0.08 5.23 0.00 -1.26 -5.05 121.76 121.64 1ufn s ALA 10 Ca 0.45 -1.39 0.02 0.00 0.00 0.00 0.00 51.96 51.04 1ufn s ALA 10 Cb -0.31 -0.16 -0.25 0.00 0.00 0.00 0.00 23.12 22.41 1ufn s ALA 10 CO 0.39 0.21 1.12 -0.24 0.00 0.00 0.00 175.76 177.24 1ufn h VAL 11 N 3.45 1.50 -0.03 0.00 3.04 -1.97 -3.21 116.25 119.01 1ufn h VAL 11 Ca -0.42 -3.15 0.00 0.00 -1.01 0.00 0.00 66.70 62.12 1ufn h VAL 11 Cb 1.20 2.84 0.00 0.00 -2.01 0.00 0.00 31.29 33.32 1ufn h VAL 11 CO 0.49 0.89 0.00 -0.90 -1.01 0.00 0.00 177.57 177.04 1ufn n ASP 12 N -3.41 0.47 -0.06 3.17 5.68 -1.26 -3.69 116.55 117.45 1ufn n ASP 12 Ca -0.07 -2.01 -0.18 0.00 -0.50 0.00 0.00 54.79 52.04 1ufn n ASP 12 Cb 0.99 -0.16 -0.13 0.00 -1.14 0.00 0.00 41.12 40.69 1ufn n ASP 12 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 1ufn h PHE 13 N 0.20 0.11 -3.23 2.11 3.57 -1.98 -3.45 116.94 114.27 1ufn h PHE 13 Ca 0.00 -0.08 -0.57 0.00 3.53 0.00 0.00 57.97 60.85 1ufn h PHE 13 Cb 0.19 -0.00 -0.05 0.00 2.79 0.00 0.00 35.95 38.88 1ufn h PHE 13 CO 0.03 1.23 0.58 0.45 -2.23 0.00 0.00 178.31 178.37 1ufn s SER 14 N -6.57 7.18 0.00 0.41 0.15 -1.24 -4.91 113.70 108.72 1ufn s SER 14 Ca -0.21 1.45 0.11 0.00 0.70 0.00 0.00 55.95 58.00 1ufn s SER 14 Cb 0.01 -2.54 0.68 0.00 -1.71 0.00 0.00 66.02 62.45 1ufn s SER 14 CO 0.69 -0.48 1.11 -0.81 1.20 0.00 0.00 173.24 174.95 1ufn n PRO 15 N 5.27 0.49 -5.22 5.44 -0.04 -1.26 -4.66 135.00 135.01 1ufn n PRO 15 Ca 0.09 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.24 1ufn n PRO 15 Cb 0.48 -1.36 -0.16 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 2.06 -0.00 0.52 -4.23 -1.26 -0.49 115.64 110.24 1ufn s THR 16 Ca 0.17 -1.16 0.02 0.00 -1.18 0.00 0.00 61.69 59.54 1ufn s THR 16 Cb 0.08 -1.72 -0.01 0.00 1.34 0.00 0.00 72.50 72.19 1ufn s THR 16 CO 0.13 0.53 -0.07 -0.76 -0.54 0.00 0.00 174.62 173.91 1ufn s LEU 17 N -0.74 2.03 -0.04 4.79 1.43 0.13 -4.96 118.68 121.32 1ufn s LEU 17 Ca 0.10 -0.16 -0.30 0.00 -1.03 0.00 0.00 54.13 52.75 1ufn s LEU 17 Cb -0.10 -0.35 -0.05 0.00 0.03 0.00 0.00 46.19 45.72 1ufn s LEU 17 CO -0.00 0.07 1.49 -2.16 0.23 0.00 0.00 176.35 175.97 1ufn s PRO 18 N -0.27 4.23 0.07 1.29 0.04 -1.26 -0.82 135.00 138.28 1ufn s PRO 18 Ca 0.02 2.02 0.06 0.00 0.04 0.00 0.00 61.00 63.14 1ufn s PRO 18 Cb -0.03 -3.76 -0.03 0.00 0.04 0.00 0.00 34.50 30.72 1ufn s PRO 18 CO -0.00 -0.71 -0.16 0.14 0.04 0.00 0.00 177.00 176.31 1ufn s VAL 19 N 3.20 1.28 -0.11 -0.36 -7.23 -1.17 -4.39 120.40 111.62 1ufn s VAL 19 Ca 0.66 -1.28 -0.05 0.00 -1.81 0.00 0.00 61.98 59.50 1ufn s VAL 19 Cb -0.31 -1.19 0.05 0.00 0.56 0.00 0.00 36.38 35.49 1ufn s VAL 19 CO 0.26 -0.11 0.25 0.42 -0.31 0.00 0.00 175.10 175.60 1ufn s THR 20 N -1.12 -0.05 -0.31 5.32 -4.23 -1.06 -2.17 115.64 112.02 1ufn s THR 20 Ca 0.01 0.15 0.02 0.00 -1.18 0.00 0.00 61.69 60.69 1ufn s THR 20 Cb -0.09 -0.38 0.09 0.00 1.34 0.00 0.00 72.50 73.46 1ufn s THR 20 CO 0.02 0.06 0.05 0.00 -0.54 0.00 0.00 174.62 174.21 1ufn n GLY 22 N 4.55 1.21 1.67 0.00 0.00 -1.26 0.53 105.19 111.88 1ufn n GLY 22 Ca -0.01 0.52 0.07 0.00 0.00 0.00 0.00 46.02 46.60 1ufn n GLY 22 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ufn n LYS 23 N 0.00 4.17 -5.11 1.61 4.76 -1.25 -4.91 118.16 117.43 1ufn n LYS 23 Ca 0.00 -2.79 -0.32 0.00 -2.87 0.00 0.00 58.31 52.33 1ufn n LYS 23 Cb 0.00 -2.07 -0.15 0.00 -1.84 0.00 0.00 35.03 30.98 1ufn n LYS 23 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1ufn s ALA 24 N -2.30 2.40 -0.02 7.82 0.00 0.19 -4.64 121.76 125.21 1ufn s ALA 24 Ca 0.49 -1.05 -0.00 0.00 0.00 0.00 0.00 51.96 51.39 1ufn s ALA 24 Cb 0.35 -0.75 0.02 0.00 0.00 0.00 0.00 23.12 22.74 1ufn s ALA 24 CO 0.18 0.54 0.03 0.15 0.00 0.00 0.00 175.76 176.66 1ufn s LYS 25 N -0.67 -0.02 0.00 0.00 1.02 -1.26 -0.23 119.74 118.59 1ufn s LYS 25 Ca 0.11 0.14 0.00 0.00 0.02 0.00 0.00 55.97 56.24 1ufn s LYS 25 Cb -0.10 -0.16 0.00 0.00 -0.52 0.00 0.00 37.83 37.04 1ufn s LYS 25 CO -0.00 -0.11 0.00 0.41 -0.92 0.00 0.00 175.35 174.72 1ufn n GLY 26 N 3.83 2.95 3.11 -3.33 0.00 -0.92 -3.84 105.19 106.99 1ufn n GLY 26 Ca -0.23 -0.34 -0.12 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.72 -0.02 -0.10 2.61 2.01 0.17 -3.07 115.64 116.52 1ufn s THR 27 Ca 0.00 0.09 -0.15 0.00 0.31 0.00 0.00 61.69 61.94 1ufn s THR 27 Cb 0.00 -0.40 -0.05 0.00 0.01 0.00 0.00 72.50 72.06 1ufn s THR 27 CO 0.00 0.04 0.37 -0.22 -0.69 0.00 0.00 174.62 174.11 1ufn s LEU 28 N 0.88 4.33 -0.42 4.42 2.96 -0.00 -0.40 118.68 130.45 1ufn s LEU 28 Ca -0.06 0.72 -0.06 0.00 -0.22 0.00 0.00 54.13 54.51 1ufn s LEU 28 Cb -0.07 -2.51 0.10 0.00 0.50 0.00 0.00 46.19 44.21 1ufn s LEU 28 CO -0.06 0.16 0.25 -0.36 -1.32 0.00 0.00 176.35 175.02 1ufn s PHE 29 N -0.03 3.45 0.36 5.38 0.40 -1.13 -0.70 117.98 125.71 1ufn s PHE 29 Ca 0.21 -1.97 0.17 0.00 -0.60 0.00 0.00 56.93 54.74 1ufn s PHE 29 Cb -0.15 -3.17 1.17 0.00 0.51 0.00 0.00 43.02 41.39 1ufn s PHE 29 CO 0.08 -0.94 1.65 1.96 0.70 0.00 0.00 175.22 178.67 1ufn h GLN 30 N 8.27 0.24 -0.42 0.44 4.20 -1.15 0.63 115.11 127.31 1ufn h GLN 30 Ca -0.19 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.50 1ufn h GLN 30 Cb 1.07 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.77 1ufn h GLN 30 CO 0.76 0.16 0.24 1.05 -0.67 0.00 0.00 178.83 180.36 1ufn h GLU 31 N 0.24 0.59 -0.00 1.46 4.11 -1.93 0.45 114.58 119.49 1ufn h GLU 31 Ca 0.76 -0.07 0.00 0.00 0.07 0.00 0.00 59.36 60.12 1ufn h GLU 31 Cb 1.86 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 31.00 1ufn h GLU 31 CO -0.61 0.47 -0.05 1.63 0.07 0.00 0.00 179.01 180.51 1ufn n LYS 32 N -4.72 0.38 -0.08 1.06 5.02 0.18 -3.55 118.16 116.45 1ufn n LYS 32 Ca 0.01 -0.05 -0.16 0.00 -2.02 0.00 0.00 58.31 56.09 1ufn n LYS 32 Cb 0.08 -1.50 -0.14 0.00 -0.02 0.00 0.00 35.03 33.45 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 -1.26 1.97 -0.17 -0.35 7.94 0.10 -4.27 117.00 120.97 1ufn n LEU 33 Ca 0.12 0.03 0.09 0.00 -1.11 0.00 0.00 56.01 55.15 1ufn n LEU 33 Cb 0.27 -0.51 0.40 0.00 0.53 0.00 0.00 43.42 44.12 1ufn n LEU 33 CO 0.25 0.76 1.21 0.07 -1.11 0.00 0.00 177.39 178.56 1ufn h LYS 34 N 0.02 0.62 -0.70 1.96 2.10 -0.19 -1.36 116.57 119.02 1ufn h LYS 34 Ca -0.51 -0.04 -0.05 0.00 -2.00 0.00 0.00 60.65 58.06 1ufn h LYS 34 Cb 2.02 -0.14 -0.03 0.00 -0.90 0.00 0.00 32.23 33.18 1ufn h LYS 34 CO -0.00 0.41 0.25 1.96 -2.00 0.00 0.00 179.45 180.07 1ufn h GLN 35 N 0.64 1.06 0.00 0.07 4.20 -1.75 -3.44 115.11 115.89 1ufn h GLN 35 Ca 0.33 -0.21 0.00 0.00 0.06 0.00 0.00 58.65 58.83 1ufn h GLN 35 Cb 0.43 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.04 1ufn h GLN 35 CO -0.11 0.89 0.00 0.41 -0.67 0.00 0.00 178.83 179.35 1ufn n GLY 36 N -0.80 2.28 0.33 3.46 0.00 -0.51 -4.99 105.19 104.96 1ufn n GLY 36 Ca 0.05 0.33 0.25 0.00 0.00 0.00 0.00 46.02 46.66 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 1.88 -1.00 4.61 0.00 -1.85 0.76 119.26 123.65 1ufn h ALA 37 Ca 0.00 0.25 0.22 0.00 0.00 0.00 0.00 54.91 55.37 1ufn h ALA 37 Cb 0.00 0.30 -0.11 0.00 0.00 0.00 0.00 17.79 17.98 1ufn h ALA 37 CO 0.00 -0.73 0.61 0.77 0.00 0.00 0.00 179.25 179.90 1ufn h SER 38 N 0.13 0.73 -3.95 0.00 0.02 -1.94 -3.05 113.55 105.49 1ufn h SER 38 Ca 0.75 0.11 -0.52 0.00 -0.84 0.00 0.00 61.79 61.29 1ufn h SER 38 Cb 1.82 -0.01 0.08 0.00 0.14 0.00 0.00 62.40 64.42 1ufn h SER 38 CO -0.72 0.20 0.57 -0.54 -1.14 0.00 0.00 176.83 175.20 1ufn s LYS 39 N -5.80 3.93 -0.34 3.45 1.02 0.26 -4.59 119.74 117.68 1ufn s LYS 39 Ca -0.11 2.04 -0.27 0.00 0.02 0.00 0.00 55.97 57.65 1ufn s LYS 39 Cb 0.26 -2.68 -0.06 0.00 -0.52 0.00 0.00 37.83 34.83 1ufn s LYS 39 CO 0.80 -0.48 2.27 0.15 -0.92 0.00 0.00 175.35 177.16 1ufn s LYS 40 N -2.32 2.72 -0.01 1.68 -0.14 -1.26 -4.41 119.74 115.99 1ufn s LYS 40 Ca 0.58 1.72 0.02 0.00 -1.36 0.00 0.00 55.97 56.93 1ufn s LYS 40 Cb -0.35 -4.45 -0.03 0.00 -1.68 0.00 0.00 37.83 31.32 1ufn s LYS 40 CO 0.45 -2.58 0.02 0.00 -0.76 0.00 0.00 175.35 172.48 1ufn s ILE 42 N -2.08 4.28 -0.30 0.00 1.01 -0.72 -2.83 121.20 120.56 1ufn s ILE 42 Ca -0.01 0.59 -0.17 0.00 0.00 0.00 0.00 60.65 61.06 1ufn s ILE 42 Cb 0.01 -4.58 -0.02 0.00 0.01 0.00 0.00 42.46 37.88 1ufn s ILE 42 CO 0.09 -1.13 0.48 -1.58 0.00 0.00 0.00 174.94 172.79 1ufn s GLN 43 N 4.24 3.88 0.99 2.79 0.74 0.47 0.11 119.66 132.88 1ufn s GLN 43 Ca 0.36 0.06 -0.15 0.00 0.05 0.00 0.00 55.36 55.68 1ufn s GLN 43 Cb -0.10 -3.71 0.19 0.00 1.10 0.00 0.00 33.01 30.48 1ufn s GLN 43 CO 0.23 -0.45 1.19 0.54 -0.55 0.00 0.00 175.29 176.25 1ufn s ASN 44 N 1.65 2.83 0.60 6.67 2.20 -1.01 -0.65 114.94 127.23 1ufn s ASN 44 Ca 0.19 0.66 0.31 0.00 -0.94 0.00 0.00 52.86 53.07 1ufn s ASN 44 Cb -0.16 -0.98 1.83 0.00 -2.00 0.00 0.00 41.25 39.94 1ufn s ASN 44 CO 0.11 -2.94 2.21 -0.33 -2.94 0.00 0.00 177.10 173.21 1ufn h GLU 45 N -1.77 0.00 -0.06 3.55 4.39 -1.91 0.26 114.58 119.04 1ufn h GLU 45 Ca -0.47 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.23 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 0.48 0.00 0.00 0.00 -1.16 0.00 0.00 179.01 178.33 1ufn n ALA 46 N -2.29 2.59 0.00 3.43 0.00 -1.26 -4.88 120.51 118.09 1ufn n ALA 46 Ca -0.02 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.13 1ufn n ALA 46 Cb 0.16 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.37 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 0.97 2.99 3.62 0.00 0.00 0.91 -4.96 105.19 108.72 1ufn n GLY 47 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.96 6.16 0.56 1.61 1.01 -1.26 -4.60 116.67 118.19 1ufn s ASP 48 Ca 0.00 1.63 -0.20 0.00 0.71 0.00 0.00 52.55 54.70 1ufn s ASP 48 Cb 0.00 -2.53 -0.05 0.00 1.01 0.00 0.00 42.92 41.35 1ufn s ASP 48 CO 0.00 -1.44 1.17 0.26 0.21 0.00 0.00 175.17 175.37 1ufn s TRP 49 N 5.92 2.56 -0.00 4.23 0.52 -1.26 -2.40 118.94 128.51 1ufn s TRP 49 Ca 0.78 1.53 -0.01 0.00 0.02 0.00 0.00 56.10 58.42 1ufn s TRP 49 Cb -0.26 -3.39 -0.00 0.00 -1.15 0.00 0.00 33.47 28.67 1ufn s TRP 49 CO 0.32 -1.86 0.01 -0.51 0.02 0.00 0.00 176.95 174.93 1ufn s LEU 50 N -3.83 1.96 0.40 2.99 1.43 0.30 -4.93 118.68 117.00 1ufn s LEU 50 Ca 0.74 -0.01 -0.25 0.00 -1.03 0.00 0.00 54.13 53.57 1ufn s LEU 50 Cb -0.27 0.07 -0.08 0.00 0.03 0.00 0.00 46.19 45.93 1ufn s LEU 50 CO 0.30 -0.03 1.20 0.42 0.23 0.00 0.00 176.35 178.47 1ufn s THR 51 N -0.13 3.01 0.36 5.49 -4.23 -1.26 -1.76 115.64 117.12 1ufn s THR 51 Ca -0.01 0.86 0.30 0.00 -1.18 0.00 0.00 61.69 61.66 1ufn s THR 51 Cb -0.01 -3.49 0.45 0.00 1.34 0.00 0.00 72.50 70.79 1ufn s THR 51 CO -0.00 0.09 1.13 0.52 -0.54 0.00 0.00 174.62 175.82 1ufn n VAL 52 N 0.09 -0.09 -0.04 2.29 0.31 -1.15 0.10 118.33 119.84 1ufn n VAL 52 Ca 0.04 1.19 -0.07 0.00 -0.01 0.00 0.00 64.34 65.49 1ufn n VAL 52 Cb 0.46 -1.96 -0.06 0.00 -0.91 0.00 0.00 33.84 31.36 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 -0.03 -0.75 5.55 3.64 -1.88 -3.32 116.57 119.78 1ufn h LYS 53 Ca 0.66 0.00 0.16 0.00 -1.27 0.00 0.00 60.65 60.20 1ufn h LYS 53 Cb 2.40 0.01 -0.14 0.00 -0.41 0.00 0.00 32.23 34.09 1ufn h LYS 53 CO -0.17 0.45 -0.09 0.93 -2.27 0.00 0.00 179.45 178.30 1ufn h GLU 54 N -0.99 0.04 -0.87 1.90 5.08 0.37 0.24 114.58 120.36 1ufn h GLU 54 Ca -0.00 -0.00 0.21 0.00 -1.00 0.00 0.00 59.36 58.57 1ufn h GLU 54 Cb 0.49 -0.01 -0.12 0.00 0.50 0.00 0.00 28.75 29.61 1ufn h GLU 54 CO 0.00 0.03 0.35 0.35 -1.00 0.00 0.00 179.01 178.74 1ufn h PHE 55 N 0.05 0.57 0.26 4.33 3.57 -1.42 -0.76 116.94 123.54 1ufn h PHE 55 Ca 0.38 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.91 1ufn h PHE 55 Cb 0.64 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.27 1ufn h PHE 55 CO -0.51 -0.07 -0.12 -0.07 -2.23 0.00 0.00 178.31 175.31 1ufn h LEU 56 N 0.36 -0.29 -1.02 0.59 3.38 -0.63 -2.74 115.31 114.95 1ufn h LEU 56 Ca 0.54 -0.05 0.25 0.00 0.09 0.00 0.00 57.88 58.71 1ufn h LEU 56 Cb 1.02 0.08 -0.12 0.00 0.09 0.00 0.00 40.66 41.72 1ufn h LEU 56 CO -0.54 -0.14 0.60 0.78 0.09 0.00 0.00 178.44 179.23 1ufn h ASN 57 N -0.43 0.66 -0.91 -0.43 2.35 -0.81 0.35 115.58 116.36 1ufn h ASN 57 Ca -0.04 0.14 0.09 0.00 -0.55 0.00 0.00 56.30 55.94 1ufn h ASN 57 Cb 0.32 0.03 -0.07 0.00 0.05 0.00 0.00 38.32 38.66 1ufn h ASN 57 CO 0.06 0.09 0.56 -0.33 -1.65 0.00 0.00 177.43 176.17 1ufn h GLU 58 N 0.56 0.94 0.11 0.81 4.39 -1.08 -2.63 114.58 117.70 1ufn h GLU 58 Ca 0.65 -0.06 -0.30 0.00 0.34 0.00 0.00 59.36 59.99 1ufn h GLU 58 Cb 1.26 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 29.69 1ufn h GLU 58 CO -0.47 0.62 -1.50 0.78 -1.16 0.00 0.00 179.01 177.28 1ufn h GLY 59 N 0.97 0.28 0.00 -3.84 0.00 -0.45 -3.40 103.07 96.63 1ufn h GLY 59 Ca 0.42 -0.71 0.00 0.00 0.00 0.00 0.00 47.33 47.04 1ufn h GLY 59 CO -0.22 0.62 0.00 0.61 0.00 0.00 0.00 176.54 177.56 1ufn n GLY 60 N 1.65 2.00 0.26 4.60 0.00 0.80 -3.84 105.19 110.65 1ufn n GLY 60 Ca -0.15 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.06 1.96 -0.32 1.61 3.00 -0.89 -4.76 116.66 117.20 1ufn n ARG 61 Ca 0.00 -2.44 0.18 0.00 -0.01 0.00 0.00 57.85 55.58 1ufn n ARG 61 Cb 0.00 -1.48 0.37 0.00 0.00 0.00 0.00 32.46 31.35 1ufn n ARG 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1ufn h ALA 62 N 0.48 1.57 -0.10 7.54 0.00 -1.86 1.04 119.26 127.93 1ufn h ALA 62 Ca 0.00 0.22 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 1ufn h ALA 62 Cb 1.00 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1ufn h ALA 62 CO 0.05 -0.53 -0.04 0.00 0.00 0.00 0.00 179.25 178.73 1ufn h THR 63 N 0.24 1.09 -3.47 0.00 1.03 -1.96 -3.44 112.91 106.40 1ufn h THR 63 Ca 0.64 -0.38 -0.57 0.00 -0.01 0.00 0.00 66.41 66.09 1ufn h THR 63 Cb 1.38 1.06 0.14 0.00 -1.07 0.00 0.00 68.15 69.66 1ufn h THR 63 CO -0.66 0.12 0.26 -1.54 -0.01 0.00 0.00 175.52 173.69 1ufn n SER 64 N -4.41 1.47 -0.13 0.00 3.41 0.36 -4.96 113.62 109.36 1ufn n SER 64 Ca -0.01 0.95 -0.28 0.00 -0.26 0.00 0.00 58.87 59.27 1ufn n SER 64 Cb 0.17 -1.42 -0.10 0.00 -0.26 0.00 0.00 64.21 62.60 1ufn n SER 64 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1ufn n LYS 65 N -0.47 0.58 -2.86 4.33 3.00 -1.26 -4.87 118.16 116.62 1ufn n LYS 65 Ca 0.11 0.32 -0.43 0.00 -0.00 0.00 0.00 58.31 58.31 1ufn n LYS 65 Cb 0.43 -1.54 -0.04 0.00 0.00 0.00 0.00 35.03 33.88 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 -7.33 6.52 0.29 3.14 1.01 -1.26 -4.90 116.67 114.14 1ufn s ASP 66 Ca -0.37 0.18 0.14 0.00 0.71 0.00 0.00 52.55 53.21 1ufn s ASP 66 Cb 0.13 -2.44 0.34 0.00 1.01 0.00 0.00 42.92 41.96 1ufn s ASP 66 CO 0.51 -0.96 1.57 4.11 0.21 0.00 0.00 175.17 180.60 1ufn h TRP 67 N 8.91 0.00 0.00 4.23 5.08 -1.93 -2.99 115.95 129.25 1ufn h TRP 67 Ca -0.24 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 59.72 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 0.84 0.56 -0.06 0.87 -1.28 0.00 0.00 178.44 179.37 1ufn h LYS 68 N 0.00 0.00 0.09 0.12 1.57 -1.90 -0.54 116.57 115.90 1ufn h LYS 68 Ca -0.01 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.48 1ufn h LYS 68 Cb 1.18 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.48 1ufn h LYS 68 CO 0.07 0.06 -1.59 0.78 -0.57 0.00 0.00 179.45 178.21 1ufn h GLY 69 N 1.20 0.21 1.05 3.86 0.00 -1.93 -2.88 103.07 104.58 1ufn h GLY 69 Ca -0.00 -0.55 -0.13 0.00 0.00 0.00 0.00 47.33 46.65 1ufn h GLY 69 CO 0.01 0.48 -0.28 -0.39 0.00 0.00 0.00 176.54 176.36 1ufn h VAL 70 N -0.35 1.28 -3.26 4.60 -1.51 -1.44 -3.43 116.25 112.14 1ufn h VAL 70 Ca -0.36 -1.44 -0.57 0.00 -1.23 0.00 0.00 66.70 63.10 1ufn h VAL 70 Cb 1.74 1.37 -0.05 0.00 -2.13 0.00 0.00 31.29 32.22 1ufn h VAL 70 CO -0.00 0.48 0.51 -0.63 -1.23 0.00 0.00 177.57 176.70 1ufn s ILE 71 N -4.49 4.82 -0.05 7.19 1.01 -0.22 -4.64 121.20 124.81 1ufn s ILE 71 Ca -0.12 1.86 0.02 0.00 0.00 0.00 0.00 60.65 62.42 1ufn s ILE 71 Cb 0.10 -4.24 -0.03 0.00 0.01 0.00 0.00 42.46 38.31 1ufn s ILE 71 CO 0.85 -0.00 -0.10 -0.13 0.00 0.00 0.00 174.94 175.56 1ufn s ARG 72 N 2.18 2.61 -0.23 2.79 0.52 -0.93 -2.88 118.95 123.00 1ufn s ARG 72 Ca 0.43 -0.64 0.02 0.00 -0.52 0.00 0.00 55.73 55.02 1ufn s ARG 72 Cb -0.17 -2.48 0.05 0.00 0.52 0.00 0.00 34.95 32.86 1ufn s ARG 72 CO 0.14 0.64 -0.12 0.00 0.02 0.00 0.00 175.30 175.98 1ufn n ASN 74 N 4.56 -4.96 0.00 0.00 3.02 -1.26 -1.66 115.26 114.95 1ufn n ASN 74 Ca -0.15 -0.10 0.00 0.00 -0.03 0.00 0.00 54.58 54.30 1ufn n ASN 74 Cb 0.45 -3.97 0.00 0.00 -0.61 0.00 0.00 39.78 35.65 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 -1.15 2.26 3.39 7.41 0.00 -1.26 -5.01 105.19 110.84 1ufn n GLY 75 Ca -0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.32 3.46 0.34 1.61 2.02 -0.67 -5.06 118.70 120.09 1ufn s GLU 76 Ca 0.00 -0.63 -0.28 0.00 0.02 0.00 0.00 54.97 54.08 1ufn s GLU 76 Cb 0.00 -2.77 -0.12 0.00 0.10 0.00 0.00 34.13 31.34 1ufn s GLU 76 CO 0.00 0.15 1.42 0.25 0.02 0.00 0.00 175.26 177.10 1ufn n THR 77 N 3.75 1.82 -0.33 3.63 -2.24 -1.26 0.06 114.28 119.71 1ufn n THR 77 Ca -0.18 -0.46 0.19 0.00 -2.27 0.00 0.00 64.05 61.33 1ufn n THR 77 Cb 0.52 -1.78 0.36 0.00 -2.10 0.00 0.00 70.33 67.34 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 3.08 -0.23 -1.02 3.22 3.38 -1.37 1.21 115.31 123.58 1ufn h LEU 78 Ca -0.48 0.27 0.05 0.00 0.09 0.00 0.00 57.88 57.80 1ufn h LEU 78 Cb 1.26 0.41 -0.06 0.00 0.09 0.00 0.00 40.66 42.36 1ufn h LEU 78 CO 0.66 -0.36 0.65 -0.09 0.09 0.00 0.00 178.44 179.40 1ufn h ARG 79 N 0.03 1.20 -0.02 1.13 9.65 -1.87 0.99 114.38 125.49 1ufn h ARG 79 Ca 0.66 -0.07 -0.00 0.00 -1.10 0.00 0.00 59.98 59.47 1ufn h ARG 79 Cb 1.47 -0.27 -0.00 0.00 -1.39 0.00 0.00 29.97 29.78 1ufn h ARG 79 CO -0.86 0.80 0.01 1.25 2.80 0.00 0.00 179.97 183.97 1ufn h HIS 80 N 1.24 0.03 -0.65 2.20 2.76 0.11 -1.12 115.15 119.72 1ufn h HIS 80 Ca 0.41 -0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 58.50 1ufn h HIS 80 Cb 0.05 -0.01 -0.03 0.00 1.55 0.00 0.00 27.41 28.98 1ufn h HIS 80 CO -0.00 0.08 0.11 -0.07 -1.30 0.00 0.00 177.93 176.75 1ufn h LEU 81 N -0.03 1.03 -0.60 0.26 3.38 -1.01 -2.77 115.31 115.57 1ufn h LEU 81 Ca 0.01 -0.26 0.02 0.00 0.09 0.00 0.00 57.88 57.74 1ufn h LEU 81 Cb 0.06 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.50 1ufn h LEU 81 CO -0.00 1.03 0.38 -0.08 0.09 0.00 0.00 178.44 179.86 1ufn h GLU 82 N 0.99 0.74 -0.72 1.13 4.22 -0.62 0.38 114.58 120.70 1ufn h GLU 82 Ca 0.20 -0.04 -0.00 0.00 0.08 0.00 0.00 59.36 59.59 1ufn h GLU 82 Cb 0.43 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.48 1ufn h GLU 82 CO 0.01 0.49 0.43 1.96 -2.18 0.00 0.00 179.01 179.73 1ufn h GLN 83 N 0.76 0.97 -0.13 1.92 4.20 -1.04 -0.26 115.11 121.54 1ufn h GLN 83 Ca 0.23 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.86 1ufn h GLN 83 Cb -0.03 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 27.55 1ufn h GLN 83 CO -0.08 0.68 0.00 1.63 -0.67 0.00 0.00 178.83 180.40 1ufn n LYS 84 N -4.39 0.95 -2.75 1.46 5.02 -0.82 -4.84 118.16 112.80 1ufn n LYS 84 Ca 0.07 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 56.18 1ufn n LYS 84 Cb 0.07 -1.07 0.02 0.00 -0.02 0.00 0.00 35.03 34.03 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 0.40 -0.31 0.10 0.72 0.00 -0.11 -4.90 105.19 101.09 1ufn n GLY 85 Ca 0.00 -0.07 -0.13 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.12 1.64 -4.43 0.99 4.77 0.06 -4.91 117.00 112.00 1ufn n LEU 86 Ca -0.12 -0.07 -0.37 0.00 -0.03 0.00 0.00 56.01 55.42 1ufn n LEU 86 Cb 0.61 -0.25 -0.12 0.00 -2.33 0.00 0.00 43.42 41.33 1ufn n LEU 86 CO 0.35 0.69 -0.27 -0.22 -1.33 0.00 0.00 177.39 176.61 1ufn s LEU 87 N -5.89 3.57 0.40 2.23 2.96 -1.19 -4.77 118.68 115.99 1ufn s LEU 87 Ca -0.21 -0.30 0.13 0.00 -0.22 0.00 0.00 54.13 53.52 1ufn s LEU 87 Cb 0.07 -1.93 0.95 0.00 0.50 0.00 0.00 46.19 45.78 1ufn s LEU 87 CO 0.63 -0.07 1.91 2.19 -1.32 0.00 0.00 176.35 179.68 1ufn h PHE 88 N 8.25 0.62 -6.36 5.38 -0.00 -1.92 -3.41 116.94 119.49 1ufn h PHE 88 Ca -0.37 0.02 -0.48 0.00 -0.00 0.00 0.00 57.97 57.14 1ufn h PHE 88 Cb 1.17 -0.20 -0.05 0.00 -0.00 0.00 0.00 35.95 36.87 1ufn h PHE 88 CO 0.66 0.24 -0.79 -1.13 -0.00 0.00 0.00 178.31 177.29 1ufn n SER 89 N -4.51 -3.92 0.00 -0.68 3.41 -1.26 -4.61 113.62 102.05 1ufn n SER 89 Ca 0.15 -0.83 0.00 0.00 -0.26 0.00 0.00 58.87 57.93 1ufn n SER 89 Cb 0.49 -3.68 0.00 0.00 -0.26 0.00 0.00 64.21 60.76 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 -1.65 -1.81 3.58 5.00 0.00 -1.26 -4.96 105.19 104.08 1ufn n GLY 90 Ca -0.01 -1.59 -0.30 0.00 0.00 0.00 0.00 46.02 44.11 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 -1.41 -0.23 1.61 0.04 -1.26 -5.02 135.00 128.72 1ufn s PRO 91 Ca 0.00 -0.13 0.00 0.00 0.04 0.00 0.00 61.00 60.91 1ufn s PRO 91 Cb 0.00 -1.58 0.03 0.00 0.04 0.00 0.00 34.50 32.99 1ufn s PRO 91 CO 0.00 -3.83 -0.11 -1.12 0.04 0.00 0.00 177.00 171.98 1ufn s SER 92 N -3.95 4.01 0.24 6.66 0.01 -1.26 -5.12 113.70 114.29 1ufn s SER 92 Ca 0.72 -0.94 0.06 0.00 1.31 0.00 0.00 55.95 57.09 1ufn s SER 92 Cb -0.09 -1.58 -0.03 0.00 0.21 0.00 0.00 66.02 64.53 1ufn s SER 92 CO 0.56 -0.11 0.30 -0.44 0.41 0.00 0.00 173.24 173.96 1ufn s SER 93 N 1.26 6.06 0.00 2.44 0.01 -1.26 -5.31 113.70 116.90 1ufn s SER 93 Ca -0.01 -0.03 0.15 0.00 1.31 0.00 0.00 55.95 57.38 1ufn s SER 93 Cb -0.16 -1.71 0.12 0.00 0.21 0.00 0.00 66.02 64.47 1ufn s SER 93 CO -0.07 -0.05 0.98 0.61 0.41 0.00 0.00 173.24 175.12