#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ufb n ASN 2 N 0.00 -1.27 0.00 7.83 0.23 -1.26 -0.59 115.26 120.20 1ufb n ASN 2 Ca 0.00 -1.07 0.00 0.00 -0.53 0.00 0.00 54.58 52.98 1ufb n ASN 2 Cb 0.00 -1.30 0.00 0.00 -2.08 0.00 0.00 39.78 36.40 1ufb n ASN 2 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1ufb n ARG 3 N -4.16 0.00 -0.33 -3.83 5.12 -1.26 -4.87 116.66 107.32 1ufb n ARG 3 Ca -0.18 0.00 0.13 0.00 -1.93 0.00 0.00 57.85 55.86 1ufb n ARG 3 Cb 0.52 -2.81 0.31 0.00 -1.16 0.00 0.00 32.46 29.32 1ufb n ARG 3 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1ufb h ALA 4 N 0.00 1.57 -0.67 7.54 0.00 -1.12 -0.16 119.26 126.42 1ufb h ALA 4 Ca 0.00 0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 1ufb h ALA 4 Cb 0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1ufb h ALA 4 CO 0.00 -0.14 0.22 0.00 0.00 0.00 0.00 179.25 179.33 1ufb h ARG 5 N 0.65 1.02 -0.78 0.00 3.08 -1.90 -1.13 114.38 115.31 1ufb h ARG 5 Ca 0.56 -0.20 0.01 0.00 0.07 0.00 0.00 59.98 60.43 1ufb h ARG 5 Cb 0.93 -0.16 -0.04 0.00 0.08 0.00 0.00 29.97 30.78 1ufb h ARG 5 CO -0.42 0.86 0.51 -0.44 -1.07 0.00 0.00 179.97 179.42 1ufb h ASP 6 N 0.98 0.88 0.28 7.04 3.32 -1.45 0.41 116.42 127.89 1ufb h ASP 6 Ca 0.22 -0.02 -0.15 0.00 0.02 0.00 0.00 57.03 57.11 1ufb h ASP 6 Cb 0.26 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 1ufb h ASP 6 CO -0.01 0.63 -0.58 -0.50 -1.72 0.00 0.00 179.24 177.06 1ufb h TRP 7 N 1.04 0.38 -0.40 4.55 4.06 -0.94 -0.40 115.95 124.24 1ufb h TRP 7 Ca 0.29 -0.14 -0.14 0.00 2.06 0.00 0.00 58.89 60.96 1ufb h TRP 7 Cb -0.09 -0.07 -0.01 0.00 -1.00 0.00 0.00 29.16 27.99 1ufb h TRP 7 CO -0.02 0.81 -0.31 -0.07 -3.56 0.00 0.00 178.44 175.29 1ufb h LEU 8 N 0.23 0.93 -0.40 -4.49 -0.00 -0.86 0.12 115.31 110.85 1ufb h LEU 8 Ca -0.00 -0.39 0.00 0.00 -0.00 0.00 0.00 57.88 57.49 1ufb h LEU 8 Cb 1.08 -0.26 -0.02 0.00 -0.00 0.00 0.00 40.66 41.46 1ufb h LEU 8 CO 0.09 1.16 0.26 -0.08 -0.00 0.00 0.00 178.44 179.87 1ufb h GLU 9 N 0.75 0.53 -0.67 1.13 4.81 -0.72 -0.33 114.58 120.07 1ufb h GLU 9 Ca 0.08 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.26 1ufb h GLU 9 Cb 0.87 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 30.11 1ufb h GLU 9 CO 0.08 0.36 0.36 0.37 -0.73 0.00 0.00 179.01 179.45 1ufb h GLN 10 N 0.54 0.94 -0.34 1.92 5.75 -0.75 -0.33 115.11 122.84 1ufb h GLN 10 Ca 0.14 -0.12 0.00 0.00 -0.15 0.00 0.00 58.65 58.53 1ufb h GLN 10 Cb -0.05 -0.18 -0.02 0.00 1.07 0.00 0.00 27.48 28.30 1ufb h GLN 10 CO -0.03 0.72 0.22 0.00 -2.65 0.00 0.00 178.83 177.08 1ufb h ALA 11 N 1.17 0.44 -0.68 3.38 0.00 -0.33 0.24 119.26 123.47 1ufb h ALA 11 Ca 0.23 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 1ufb h ALA 11 Cb 0.06 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1ufb h ALA 11 CO -0.04 -0.08 0.31 0.00 0.00 0.00 0.00 179.25 179.44 1ufb h ARG 12 N 0.45 1.00 -0.57 0.00 3.08 -0.85 0.22 114.38 117.71 1ufb h ARG 12 Ca 0.12 -0.16 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 1ufb h ARG 12 Cb -0.02 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 29.83 1ufb h ARG 12 CO -0.02 0.80 0.31 1.25 -1.07 0.00 0.00 179.97 181.24 1ufb h HIS 13 N 0.96 0.78 -0.84 3.04 2.76 -0.52 0.53 115.15 121.86 1ufb h HIS 13 Ca 0.23 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.38 1ufb h HIS 13 Cb 0.15 -0.25 -0.04 0.00 1.55 0.00 0.00 27.41 28.82 1ufb h HIS 13 CO 0.01 0.57 0.53 -0.91 -1.30 0.00 0.00 177.93 176.83 1ufb h ASN 14 N 0.76 0.99 -0.40 3.26 -0.26 -0.17 0.30 115.58 120.05 1ufb h ASN 14 Ca 0.20 -0.05 -0.11 0.00 -0.56 0.00 0.00 56.30 55.78 1ufb h ASN 14 Cb 0.05 -0.25 -0.02 0.00 -1.06 0.00 0.00 38.32 37.04 1ufb h ASN 14 CO -0.03 0.74 -0.16 0.25 -1.06 0.00 0.00 177.43 177.17 1ufb h LEU 15 N 1.14 0.89 -0.96 1.61 5.85 -0.46 0.38 115.31 123.76 1ufb h LEU 15 Ca 0.30 -0.30 -0.08 0.00 0.84 0.00 0.00 57.88 58.64 1ufb h LEU 15 Cb -0.09 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.68 1ufb h LEU 15 CO -0.06 1.04 -0.12 0.03 -0.34 0.00 0.00 178.44 178.99 1ufb h ARG 16 N 0.78 0.62 -0.65 1.25 3.08 -0.42 -0.73 114.38 118.32 1ufb h ARG 16 Ca 0.12 -0.19 -0.08 0.00 0.07 0.00 0.00 59.98 59.89 1ufb h ARG 16 Cb 0.68 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.65 1ufb h ARG 16 CO 0.05 0.73 0.08 1.25 -1.07 0.00 0.00 179.97 181.01 1ufb h HIS 17 N 0.57 1.15 -0.56 3.04 2.76 0.08 -0.67 115.15 121.52 1ufb h HIS 17 Ca 0.10 -0.17 -0.08 0.00 -2.20 0.00 0.00 60.37 58.03 1ufb h HIS 17 Cb 0.54 -0.31 -0.02 0.00 1.55 0.00 0.00 27.41 29.16 1ufb h HIS 17 CO 0.02 0.98 0.04 0.00 -1.30 0.00 0.00 177.93 177.66 1ufb h ALA 18 N 1.07 1.00 -0.65 5.26 0.00 -0.36 0.57 119.26 126.15 1ufb h ALA 18 Ca 0.20 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 1ufb h ALA 18 Cb 0.46 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1ufb h ALA 18 CO 0.02 0.62 0.18 1.96 0.00 0.00 0.00 179.25 182.02 1ufb h GLN 19 N 0.87 1.03 0.00 0.00 4.20 -0.89 -1.74 115.11 118.58 1ufb h GLN 19 Ca 0.17 -0.24 -0.10 0.00 0.06 0.00 0.00 58.65 58.54 1ufb h GLN 19 Cb 0.46 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 1ufb h GLN 19 CO 0.02 0.92 -0.50 0.78 -0.67 0.00 0.00 178.83 179.38 1ufb h GLY 20 N 0.96 0.00 1.91 3.46 0.00 -0.93 -2.76 103.07 105.70 1ufb h GLY 20 Ca 0.21 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.43 1ufb h GLY 20 CO -0.00 0.00 -0.48 1.76 0.00 0.00 0.00 176.54 177.82 1ufb h SER 21 N 0.00 0.11 -0.41 0.19 0.02 -0.35 -1.26 113.55 111.84 1ufb h SER 21 Ca -0.00 -0.05 -0.03 0.00 -0.84 0.00 0.00 61.79 60.87 1ufb h SER 21 Cb 0.93 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 63.43 1ufb h SER 21 CO 0.06 0.57 0.14 0.25 -1.14 0.00 0.00 176.83 176.72 1ufb h LEU 22 N 0.08 0.59 -1.42 5.07 5.85 -1.06 -0.48 115.31 123.94 1ufb h LEU 22 Ca 0.00 -0.19 -0.04 0.00 0.84 0.00 0.00 57.88 58.49 1ufb h LEU 22 Cb 0.88 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.74 1ufb h LEU 22 CO 0.07 0.63 -0.07 1.23 -0.34 0.00 0.00 178.44 179.96 1ufb h GLY 23 N 0.53 0.33 2.00 3.75 0.00 -1.07 -1.07 103.07 107.52 1ufb h GLY 23 Ca 0.14 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.28 1ufb h GLY 23 CO -0.01 0.17 0.00 1.04 0.00 0.00 0.00 176.54 177.75 1ufb n LEU 24 N -4.31 0.07 -0.02 3.11 4.77 -0.56 -4.91 117.00 115.15 1ufb n LEU 24 Ca -0.00 0.51 -0.00 0.00 -0.03 0.00 0.00 56.01 56.49 1ufb n LEU 24 Cb 0.24 -0.49 -0.00 0.00 -2.33 0.00 0.00 43.42 40.83 1ufb n LEU 24 CO 0.38 -0.10 -0.00 0.61 -1.33 0.00 0.00 177.39 176.94 1ufb n GLY 25 N 0.98 0.47 3.25 -0.72 0.00 -0.41 -4.97 105.19 103.79 1ufb n GLY 25 Ca 0.06 -0.39 -0.44 0.00 0.00 0.00 0.00 46.02 45.24 1ufb n GLY 25 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ufb n ASP 26 N 0.67 5.69 -0.06 1.61 8.00 -0.28 -4.87 116.55 127.32 1ufb n ASP 26 Ca -0.00 -3.13 -0.10 0.00 0.71 0.00 0.00 54.79 52.27 1ufb n ASP 26 Cb 0.02 -1.38 -0.04 0.00 -0.02 0.00 0.00 41.12 39.71 1ufb n ASP 26 CO 0.00 0.00 0.00 1.88 -0.39 0.00 0.00 177.20 178.69 1ufb h TYR 27 N 6.37 0.31 -0.30 1.24 0.99 -1.86 0.15 116.97 123.87 1ufb h TYR 27 Ca 0.21 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.93 1ufb h TYR 27 Cb 0.80 -0.10 -0.01 0.00 1.00 0.00 0.00 36.73 38.42 1ufb h TYR 27 CO 0.87 0.29 0.19 0.00 -0.00 0.00 0.00 178.16 179.51 1ufb h ALA 28 N 0.99 0.38 -0.56 3.88 0.00 -1.81 -0.31 119.26 121.82 1ufb h ALA 28 Ca 0.08 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1ufb h ALA 28 Cb 0.09 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1ufb h ALA 28 CO -0.01 -0.13 0.27 -1.49 0.00 0.00 0.00 179.25 177.89 1ufb h TRP 29 N 0.39 0.78 -0.81 0.00 4.06 -1.76 -0.21 115.95 118.40 1ufb h TRP 29 Ca 0.11 -0.02 -0.04 0.00 2.06 0.00 0.00 58.89 61.00 1ufb h TRP 29 Cb -0.01 -0.25 -0.04 0.00 -1.00 0.00 0.00 29.16 27.87 1ufb h TRP 29 CO -0.05 0.57 0.34 0.00 -3.56 0.00 0.00 178.44 175.75 1ufb h ALA 30 N 1.51 1.08 -0.53 1.49 0.00 -0.20 -0.28 119.26 122.33 1ufb h ALA 30 Ca 0.20 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 1ufb h ALA 30 Cb 0.08 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1ufb h ALA 30 CO -0.03 0.67 0.03 0.00 0.00 0.00 0.00 179.25 179.91 1ufb h PHE 32 N 0.79 0.52 -0.32 0.00 3.57 -0.77 -1.23 116.94 119.50 1ufb h PHE 32 Ca 0.15 -0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.59 1ufb h PHE 32 Cb 0.49 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.06 1ufb h PHE 32 CO 0.04 0.47 0.06 0.00 -2.23 0.00 0.00 178.31 176.64 1ufb h ALA 33 N 1.00 1.52 -0.26 2.41 0.00 -0.89 0.50 119.26 123.54 1ufb h ALA 33 Ca 0.12 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1ufb h ALA 33 Cb 0.15 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1ufb h ALA 33 CO -0.01 0.36 -0.10 0.00 0.00 0.00 0.00 179.25 179.49 1ufb h ALA 34 N 1.62 0.37 -0.80 0.00 0.00 -0.74 0.06 119.26 119.76 1ufb h ALA 34 Ca 0.11 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.73 1ufb h ALA 34 Cb 0.21 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 1ufb h ALA 34 CO -0.00 0.22 0.53 0.37 0.00 0.00 0.00 179.25 180.37 1ufb h GLN 35 N 0.27 1.04 -0.29 0.00 -0.00 -0.42 -1.38 115.11 114.33 1ufb h GLN 35 Ca 0.06 -0.06 -0.09 0.00 -0.00 0.00 0.00 58.65 58.56 1ufb h GLN 35 Cb 0.60 -0.23 -0.01 0.00 0.00 0.00 0.00 27.48 27.83 1ufb h GLN 35 CO 0.03 0.69 -0.20 1.96 0.00 0.00 0.00 178.83 181.31 1ufb h GLN 36 N 1.07 0.53 -0.18 1.69 1.08 -0.48 0.50 115.11 119.32 1ufb h GLN 36 Ca 0.30 -0.18 -0.01 0.00 -1.45 0.00 0.00 58.65 57.30 1ufb h GLN 36 Cb -0.10 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.28 1ufb h GLN 36 CO -0.07 0.70 0.07 0.00 -0.95 0.00 0.00 178.83 178.58 1ufb h ALA 37 N 1.32 0.23 -0.67 3.87 0.00 -0.46 -0.87 119.26 122.68 1ufb h ALA 37 Ca 0.08 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1ufb h ALA 37 Cb 0.61 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 1ufb h ALA 37 CO 0.04 -0.16 0.37 0.00 0.00 0.00 0.00 179.25 179.50 1ufb h ALA 38 N 0.90 0.85 0.22 0.00 0.00 -0.86 -1.23 119.26 119.13 1ufb h ALA 38 Ca 0.06 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1ufb h ALA 38 Cb 0.20 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1ufb h ALA 38 CO -0.00 0.36 -0.11 1.49 0.00 0.00 0.00 179.25 180.99 1ufb h GLU 39 N 0.91 -0.29 -0.93 0.00 4.81 -0.82 -1.32 114.58 116.94 1ufb h GLU 39 Ca 0.23 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.47 1ufb h GLU 39 Cb 0.03 0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.43 1ufb h GLU 39 CO -0.04 -0.14 0.54 0.00 -0.73 0.00 0.00 179.01 178.64 1ufb h ALA 40 N 0.40 1.18 -0.30 2.92 0.00 -1.04 0.31 119.26 122.73 1ufb h ALA 40 Ca -0.03 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1ufb h ALA 40 Cb 0.28 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1ufb h ALA 40 CO 0.05 0.66 0.11 0.00 0.00 0.00 0.00 179.25 180.07 1ufb h ALA 41 N 1.30 0.39 -0.34 0.00 0.00 -1.10 0.83 119.26 120.34 1ufb h ALA 41 Ca 0.33 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 55.00 1ufb h ALA 41 Cb -0.02 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1ufb h ALA 41 CO -0.06 -0.01 -0.25 -0.07 0.00 0.00 0.00 179.25 178.87 1ufb h LEU 42 N 0.33 0.69 -1.14 0.00 3.38 -0.99 0.03 115.31 117.60 1ufb h LEU 42 Ca 0.10 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 1ufb h LEU 42 Cb 0.20 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1ufb h LEU 42 CO -0.01 0.91 0.17 0.11 0.09 0.00 0.00 178.44 179.71 1ufb h LYS 43 N 0.59 0.77 -0.42 1.13 1.57 -0.61 -0.05 116.57 119.55 1ufb h LYS 43 Ca 0.08 -0.13 -0.10 0.00 -1.87 0.00 0.00 60.65 58.63 1ufb h LYS 43 Cb 0.73 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.90 1ufb h LYS 43 CO 0.06 0.67 -0.12 0.78 -0.57 0.00 0.00 179.45 180.27 1ufb h GLY 44 N 0.92 0.90 0.97 3.86 0.00 -0.16 -1.53 103.07 108.02 1ufb h GLY 44 Ca 0.17 -0.75 0.01 0.00 0.00 0.00 0.00 47.33 46.77 1ufb h GLY 44 CO -0.01 0.69 0.45 -2.00 0.00 0.00 0.00 176.54 175.66 1ufb h LEU 45 N 0.65 0.76 -0.41 3.11 5.85 -0.46 -1.46 115.31 123.37 1ufb h LEU 45 Ca 0.11 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.84 1ufb h LEU 45 Cb 0.65 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.47 1ufb h LEU 45 CO 0.04 0.55 0.20 0.45 -0.34 0.00 0.00 178.44 179.34 1ufb h HIS 46 N 0.90 0.37 -0.89 1.25 3.86 -0.66 -2.72 115.15 117.26 1ufb h HIS 46 Ca 0.26 0.02 0.05 0.00 -1.16 0.00 0.00 60.37 59.54 1ufb h HIS 46 Cb -0.07 -0.11 -0.06 0.00 1.06 0.00 0.00 27.41 28.23 1ufb h HIS 46 CO -0.03 0.19 0.57 -0.07 0.86 0.00 0.00 177.93 179.45 1ufb h LEU 47 N 0.41 0.91 -2.09 2.43 3.38 -0.79 -0.03 115.31 119.53 1ufb h LEU 47 Ca 0.17 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 1ufb h LEU 47 Cb 0.08 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 1ufb h LEU 47 CO -0.12 0.60 -0.08 0.00 0.09 0.00 0.00 178.44 178.93 1ufb h ALA 48 N 1.40 1.46 -0.79 1.53 0.00 -0.99 -0.54 119.26 121.33 1ufb h ALA 48 Ca 0.38 -0.07 -0.37 0.00 0.00 0.00 0.00 54.91 54.85 1ufb h ALA 48 Cb 0.11 -0.01 -0.22 0.00 0.00 0.00 0.00 17.79 17.67 1ufb h ALA 48 CO -0.15 0.10 0.41 0.54 0.00 0.00 0.00 179.25 180.14 1ufb n ARG 49 N -3.84 2.55 -2.57 0.00 5.12 -0.76 -4.94 116.66 112.21 1ufb n ARG 49 Ca -0.02 -3.06 -0.20 0.00 -1.93 0.00 0.00 57.85 52.63 1ufb n ARG 49 Cb 0.17 -2.11 0.00 0.00 -1.16 0.00 0.00 32.46 29.37 1ufb n ARG 49 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1ufb n GLY 50 N -0.89 -0.45 3.26 -0.13 0.00 -0.21 -5.02 105.19 101.75 1ufb n GLY 50 Ca 0.49 -0.01 -0.21 0.00 0.00 0.00 0.00 46.02 46.29 1ufb n GLY 50 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ufb s GLN 51 N -5.19 1.06 -0.11 1.61 -0.21 -0.10 -4.99 119.66 111.73 1ufb s GLN 51 Ca 0.09 -1.17 -0.00 0.00 0.02 0.00 0.00 55.36 54.30 1ufb s GLN 51 Cb -0.04 -1.16 -0.02 0.00 1.00 0.00 0.00 33.01 32.79 1ufb s GLN 51 CO 0.11 0.25 -0.10 0.54 -2.12 0.00 0.00 175.29 173.98 1ufb s VAL 52 N -1.51 3.39 0.29 1.09 0.11 -1.26 -2.58 120.40 119.93 1ufb s VAL 52 Ca 0.06 -0.56 0.11 0.00 -2.93 0.00 0.00 61.98 58.66 1ufb s VAL 52 Cb -0.08 -2.42 -0.05 0.00 -1.53 0.00 0.00 36.38 32.30 1ufb s VAL 52 CO 0.04 0.54 -0.14 0.00 -3.33 0.00 0.00 175.10 172.21 1ufb s ALA 53 N -0.05 2.87 0.27 1.54 0.00 -1.26 -5.05 121.76 120.09 1ufb s ALA 53 Ca -0.01 -1.87 0.03 0.00 0.00 0.00 0.00 51.96 50.10 1ufb s ALA 53 Cb -0.14 -0.33 -0.04 0.00 0.00 0.00 0.00 23.12 22.62 1ufb s ALA 53 CO 0.03 0.24 0.17 -1.58 0.00 0.00 0.00 175.76 174.63 1ufb s TRP 54 N -2.49 1.49 0.00 0.00 0.52 -1.26 -5.01 118.94 112.18 1ufb s TRP 54 Ca 0.31 -1.42 0.00 0.00 0.02 0.00 0.00 56.10 55.00 1ufb s TRP 54 Cb -0.04 -0.73 0.00 0.00 -1.15 0.00 0.00 33.47 31.55 1ufb s TRP 54 CO 0.16 -0.62 0.00 0.41 0.02 0.00 0.00 176.95 176.92 1ufb n GLY 55 N -0.48 -2.16 0.00 0.98 0.00 -1.26 -4.73 105.19 97.54 1ufb n GLY 55 Ca 0.03 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.47 1ufb n GLY 55 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1ufb n HIS 56 N -0.16 0.00 -2.97 1.61 8.25 -1.26 -4.97 115.22 115.71 1ufb n HIS 56 Ca 0.00 -0.35 -0.43 0.00 -0.26 0.00 0.00 57.72 56.68 1ufb n HIS 56 Cb 0.00 -0.04 -0.05 0.00 1.12 0.00 0.00 29.99 31.02 1ufb n HIS 56 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1ufb s SER 57 N -0.71 6.33 0.52 0.41 0.15 -1.26 -4.89 113.70 114.24 1ufb s SER 57 Ca 0.00 -0.43 0.33 0.00 0.70 0.00 0.00 55.95 56.55 1ufb s SER 57 Cb 0.00 -2.38 1.39 0.00 -1.71 0.00 0.00 66.02 63.32 1ufb s SER 57 CO 0.00 -1.03 1.97 0.16 1.20 0.00 0.00 173.24 175.54 1ufb h ILE 58 N 5.96 0.00 -0.10 6.45 3.07 -1.93 -1.20 117.51 129.76 1ufb h ILE 58 Ca -0.26 -0.43 -0.00 0.00 1.55 0.00 0.00 64.86 65.72 1ufb h ILE 58 Cb 1.08 1.39 -0.00 0.00 -0.27 0.00 0.00 36.82 39.01 1ufb h ILE 58 CO 1.01 0.00 0.06 -0.07 -1.05 0.00 0.00 178.15 178.09 1ufb h LEU 59 N 0.00 0.13 -0.74 0.16 3.38 -1.90 -0.17 115.31 116.16 1ufb h LEU 59 Ca 0.00 -0.08 -0.09 0.00 0.09 0.00 0.00 57.88 57.80 1ufb h LEU 59 Cb 0.45 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 1ufb h LEU 59 CO 0.00 0.17 -0.01 0.44 0.09 0.00 0.00 178.44 179.14 1ufb h ASP 60 N 0.07 0.93 -0.83 -0.43 3.32 -1.82 -1.55 116.42 116.11 1ufb h ASP 60 Ca 0.04 -0.25 0.05 0.00 0.02 0.00 0.00 57.03 56.88 1ufb h ASP 60 Cb 0.07 -0.25 -0.05 0.00 0.22 0.00 0.00 39.33 39.32 1ufb h ASP 60 CO -0.01 1.00 0.54 -0.07 -1.72 0.00 0.00 179.24 178.98 1ufb h LEU 61 N 0.88 0.84 0.02 1.55 3.38 -0.89 -0.91 115.31 120.18 1ufb h LEU 61 Ca 0.16 -0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.86 1ufb h LEU 61 Cb 0.53 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 41.11 1ufb h LEU 61 CO 0.03 0.55 -1.14 -0.07 0.09 0.00 0.00 178.44 177.90 1ufb h LEU 62 N 0.96 0.66 -1.10 1.67 3.38 -0.92 -3.32 115.31 116.63 1ufb h LEU 62 Ca 0.35 -0.60 -0.08 0.00 0.09 0.00 0.00 57.88 57.63 1ufb h LEU 62 Cb 0.15 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1ufb h LEU 62 CO -0.12 1.42 -0.40 0.00 0.09 0.00 0.00 178.44 179.43 1ufb h ALA 63 N 0.51 1.14 -0.06 1.53 0.00 -0.77 -3.14 119.26 118.47 1ufb h ALA 63 Ca -0.14 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1ufb h ALA 63 Cb 1.81 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.54 1ufb h ALA 63 CO 0.21 0.50 0.00 -0.25 0.00 0.00 0.00 179.25 179.71 1ufb n ASP 64 N -3.78 1.35 -4.76 0.00 8.00 -0.39 -4.95 116.55 112.02 1ufb n ASP 64 Ca -0.01 -1.51 -0.35 0.00 0.71 0.00 0.00 54.79 53.62 1ufb n ASP 64 Cb 0.47 -0.03 0.02 0.00 -0.02 0.00 0.00 41.12 41.56 1ufb n ASP 64 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1ufb s LEU 65 N -1.85 3.66 0.70 0.64 1.43 -1.19 -4.96 118.68 117.11 1ufb s LEU 65 Ca 0.37 2.23 -0.16 0.00 -1.03 0.00 0.00 54.13 55.54 1ufb s LEU 65 Cb 0.20 -4.58 -0.03 0.00 0.03 0.00 0.00 46.19 41.81 1ufb s LEU 65 CO 0.31 -1.44 0.71 -2.65 0.23 0.00 0.00 176.35 173.52 1ufb n PRO 66 N -1.59 0.42 -0.01 1.29 -0.02 -1.26 -4.84 135.00 128.99 1ufb n PRO 66 Ca 0.12 0.19 0.15 0.00 -2.02 0.00 0.00 63.50 61.94 1ufb n PRO 66 Cb 0.51 -1.98 0.59 0.00 -0.02 0.00 0.00 33.50 32.59 1ufb n PRO 66 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1ufb h GLU 67 N -0.24 0.19 0.00 -0.52 4.81 -1.98 -0.32 114.58 116.53 1ufb h GLU 67 Ca -0.46 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 1ufb h GLU 67 Cb 1.35 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.68 1ufb h GLU 67 CO 0.45 0.13 0.00 -0.40 -0.73 0.00 0.00 179.01 178.46 1ufb n ASP 68 N -4.45 0.00 -4.56 1.04 5.75 -1.26 -4.59 116.55 108.49 1ufb n ASP 68 Ca 0.08 -0.15 -0.40 0.00 -0.01 0.00 0.00 54.79 54.30 1ufb n ASP 68 Cb 0.43 -0.22 -0.09 0.00 -1.03 0.00 0.00 41.12 40.21 1ufb n ASP 68 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1ufb s VAL 69 N -2.44 5.15 -0.17 2.12 1.01 -0.13 -5.05 120.40 120.89 1ufb s VAL 69 Ca 0.22 0.17 -0.22 0.00 0.00 0.00 0.00 61.98 62.15 1ufb s VAL 69 Cb 0.14 -3.82 -0.03 0.00 0.00 0.00 0.00 36.38 32.68 1ufb s VAL 69 CO 0.30 -0.06 0.68 -0.62 0.00 0.00 0.00 175.10 175.39 1ufb s ASP 70 N 1.72 6.80 -0.34 3.32 -1.08 -1.26 -4.89 116.67 120.94 1ufb s ASP 70 Ca 0.13 0.97 -0.08 0.00 -0.52 0.00 0.00 52.55 53.05 1ufb s ASP 70 Cb -0.16 -2.38 0.02 0.00 -1.46 0.00 0.00 42.92 38.94 1ufb s ASP 70 CO 0.12 -0.26 0.14 -0.69 0.52 0.00 0.00 175.17 174.99 1ufb s VAL 71 N 1.73 4.17 0.67 1.11 1.01 -1.26 -5.08 120.40 122.75 1ufb s VAL 71 Ca 0.32 -0.85 -0.16 0.00 0.00 0.00 0.00 61.98 61.29 1ufb s VAL 71 Cb -0.16 -3.27 0.01 0.00 0.00 0.00 0.00 36.38 32.95 1ufb s VAL 71 CO 0.12 -0.10 1.19 -2.84 0.00 0.00 0.00 175.10 173.47 1ufb s PRO 72 N 1.50 2.52 0.46 2.72 0.02 -1.26 -4.89 135.00 136.07 1ufb s PRO 72 Ca 0.01 1.73 0.12 0.00 0.02 0.00 0.00 61.00 62.88 1ufb s PRO 72 Cb -0.19 -1.88 1.06 0.00 0.02 0.00 0.00 34.50 33.51 1ufb s PRO 72 CO 0.04 -1.54 2.09 1.49 -0.33 0.00 0.00 177.00 178.75 1ufb h GLU 73 N 0.15 0.29 0.00 5.54 4.57 -2.01 -1.66 114.58 121.46 1ufb h GLU 73 Ca -0.48 -0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 57.65 1ufb h GLU 73 Cb 1.29 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 29.81 1ufb h GLU 73 CO 0.52 0.19 -0.14 0.38 -1.18 0.00 0.00 179.01 178.78 1ufb h ASP 74 N 0.30 0.00 0.61 1.04 2.03 -2.00 -1.77 116.42 116.63 1ufb h ASP 74 Ca 0.10 0.00 -0.15 0.00 -0.73 0.00 0.00 57.03 56.26 1ufb h ASP 74 Cb 0.05 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.53 1ufb h ASP 74 CO -0.02 0.14 -0.68 -0.07 -1.03 0.00 0.00 179.24 177.58 1ufb h LEU 75 N 0.00 0.07 -0.40 0.15 3.38 -1.65 -1.15 115.31 115.71 1ufb h LEU 75 Ca -0.00 -0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.82 1ufb h LEU 75 Cb 0.36 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1ufb h LEU 75 CO 0.02 0.73 -0.14 0.58 0.09 0.00 0.00 178.44 179.72 1ufb h VAL 76 N 0.04 1.28 -0.54 1.22 2.07 -1.37 0.69 116.25 119.63 1ufb h VAL 76 Ca -0.01 -1.25 -0.12 0.00 0.82 0.00 0.00 66.70 66.14 1ufb h VAL 76 Cb 1.20 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 32.20 1ufb h VAL 76 CO 0.09 0.42 -0.12 -0.33 0.02 0.00 0.00 177.57 177.65 1ufb h GLU 77 N 0.61 1.04 -0.68 1.57 4.39 -1.27 -1.77 114.58 118.47 1ufb h GLU 77 Ca 0.10 -0.39 0.02 0.00 0.34 0.00 0.00 59.36 59.42 1ufb h GLU 77 Cb 0.68 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 29.23 1ufb h GLU 77 CO 0.05 1.09 0.44 0.00 -1.16 0.00 0.00 179.01 179.42 1ufb h ALA 78 N 0.92 0.88 -0.47 3.43 0.00 -1.01 -2.60 119.26 120.42 1ufb h ALA 78 Ca 0.14 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.07 1ufb h ALA 78 Cb 0.70 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 1ufb h ALA 78 CO 0.05 0.24 0.20 0.00 0.00 0.00 0.00 179.25 179.74 1ufb h ALA 79 N 1.27 0.58 -0.65 0.00 0.00 -0.46 -0.13 119.26 119.87 1ufb h ALA 79 Ca 0.26 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 1ufb h ALA 79 Cb -0.04 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1ufb h ALA 79 CO -0.08 -0.17 0.36 0.87 0.00 0.00 0.00 179.25 180.22 1ufb h LYS 80 N 0.40 0.89 0.02 0.00 1.57 -0.97 -0.60 116.57 117.88 1ufb h LYS 80 Ca 0.21 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1ufb h LYS 80 Cb 0.17 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.30 1ufb h LYS 80 CO -0.19 0.66 -0.01 0.28 -0.57 0.00 0.00 179.45 179.62 1ufb h VAL 81 N 0.90 1.35 0.00 0.50 2.07 -1.10 -3.24 116.25 116.73 1ufb h VAL 81 Ca 0.23 -1.13 -0.02 0.00 0.82 0.00 0.00 66.70 66.60 1ufb h VAL 81 Cb 0.02 2.11 -0.00 0.00 -1.52 0.00 0.00 31.29 31.89 1ufb h VAL 81 CO -0.04 0.29 -0.09 -0.07 0.02 0.00 0.00 177.57 177.68 1ufb h LEU 82 N -0.51 0.00 -1.65 2.57 3.38 -0.69 -2.58 115.31 115.82 1ufb h LEU 82 Ca -0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1ufb h LEU 82 Cb 0.49 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1ufb h LEU 82 CO 0.00 0.09 -0.17 0.44 0.09 0.00 0.00 178.44 178.89 1ufb h ASP 83 N 0.00 0.00 0.00 -0.43 3.32 -1.14 0.83 116.42 119.00 1ufb h ASP 83 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1ufb h ASP 83 Cb 0.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.74 1ufb h ASP 83 CO 0.01 0.17 0.00 0.29 -1.72 0.00 0.00 179.24 177.99 1ufb n LYS 84 N -3.62 0.97 0.00 3.56 4.76 -0.97 -3.50 118.16 119.35 1ufb n LYS 84 Ca -0.01 0.00 0.09 0.00 -2.87 0.00 0.00 58.31 55.52 1ufb n LYS 84 Cb 0.30 -1.48 0.04 0.00 -1.84 0.00 0.00 35.03 32.05 1ufb n LYS 84 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1ufb n TYR 85 N -0.98 0.00 -0.01 2.13 0.53 0.28 -4.11 117.16 115.01 1ufb n TYR 85 Ca 0.22 0.00 -0.13 0.00 -1.02 0.00 0.00 57.90 56.97 1ufb n TYR 85 Cb 0.10 0.00 -0.10 0.00 -1.03 0.00 0.00 39.34 38.31 1ufb n TYR 85 CO 0.00 0.00 0.00 -0.92 -1.02 0.00 0.00 176.86 174.92 1ufb h TYR 86 N 2.98 -0.03 0.00 -0.72 3.20 -1.67 -3.37 116.97 117.35 1ufb h TYR 86 Ca 0.00 -0.00 -0.44 0.00 3.14 0.00 0.00 58.73 61.43 1ufb h TYR 86 Cb 0.73 0.01 -0.07 0.00 1.54 0.00 0.00 36.73 38.94 1ufb h TYR 86 CO 0.00 0.51 -2.46 -0.89 -1.64 0.00 0.00 178.16 173.68 1ufb n ILE 87 N -4.84 1.53 0.24 1.81 5.41 -1.26 -4.61 119.36 117.64 1ufb n ILE 87 Ca -0.09 -0.40 0.17 0.00 1.00 0.00 0.00 62.75 63.44 1ufb n ILE 87 Cb 0.28 -1.82 0.88 0.00 -0.71 0.00 0.00 39.64 38.27 1ufb n ILE 87 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 176.55 175.90 1ufb h PRO 88 N -0.84 0.00 0.00 0.38 0.11 -1.82 -1.37 132.00 128.46 1ufb h PRO 88 Ca -0.67 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.44 1ufb h PRO 88 Cb 1.65 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.76 1ufb h PRO 88 CO -0.36 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 177.68 1ufb n THR 89 N -3.64 0.77 0.00 -1.15 -2.24 -1.26 -3.97 114.28 102.79 1ufb n THR 89 Ca 0.00 0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 1ufb n THR 89 Cb 0.27 -1.00 0.00 0.00 -2.10 0.00 0.00 70.33 67.50 1ufb n THR 89 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1ufb n ARG 90 N -2.08 2.62 -4.00 -0.78 1.74 -0.56 -4.29 116.66 109.31 1ufb n ARG 90 Ca 0.03 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.77 1ufb n ARG 90 Cb 0.26 -0.72 -0.15 0.00 -1.02 0.00 0.00 32.46 30.84 1ufb n ARG 90 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1ufb s TYR 91 N -1.19 2.93 0.28 -1.55 1.51 -0.92 -4.78 117.35 113.63 1ufb s TYR 91 Ca 0.00 -1.36 0.02 0.00 -1.01 0.00 0.00 57.07 54.71 1ufb s TYR 91 Cb 0.00 -2.03 0.58 0.00 -0.11 0.00 0.00 41.96 40.40 1ufb s TYR 91 CO 0.00 -0.69 1.82 -1.35 -1.11 0.00 0.00 175.55 174.22 1ufb h PRO 92 N 8.02 0.90 0.00 -1.71 0.11 -1.88 -1.78 132.00 135.66 1ufb h PRO 92 Ca -0.40 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1ufb h PRO 92 Cb 1.14 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.04 1ufb h PRO 92 CO 0.61 0.60 0.00 -0.40 -0.21 0.00 0.00 178.00 178.59 1ufb n ASP 93 N -4.66 0.00 -0.17 -2.05 5.75 -1.26 -1.07 116.55 113.09 1ufb n ASP 93 Ca 0.19 -0.27 0.14 0.00 -0.01 0.00 0.00 54.79 54.84 1ufb n ASP 93 Cb 0.39 -0.01 0.58 0.00 -1.03 0.00 0.00 41.12 41.05 1ufb n ASP 93 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1ufb n ALA 94 N -1.01 2.79 -2.47 2.12 0.00 -0.67 -4.88 120.51 116.39 1ufb n ALA 94 Ca 0.07 -0.31 -0.14 0.00 0.00 0.00 0.00 53.44 53.07 1ufb n ALA 94 Cb 0.03 -1.29 -0.11 0.00 0.00 0.00 0.00 19.45 18.09 1ufb n ALA 94 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1ufb s HIS 95 N -2.40 1.00 0.32 0.00 3.76 -0.23 -5.00 115.29 112.74 1ufb s HIS 95 Ca 0.30 -0.68 0.04 0.00 -0.15 0.00 0.00 55.06 54.57 1ufb s HIS 95 Cb 0.20 -0.55 0.64 0.00 1.11 0.00 0.00 32.58 33.98 1ufb s HIS 95 CO 0.46 -0.03 1.89 -1.35 -0.85 0.00 0.00 174.74 174.86 1ufb h PRO 96 N 3.55 0.87 -3.34 8.40 0.11 -1.90 -3.45 132.00 136.24 1ufb h PRO 96 Ca -0.37 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.67 1ufb h PRO 96 Cb 1.19 -0.20 -0.10 0.00 0.11 0.00 0.00 31.00 32.00 1ufb h PRO 96 CO 0.54 0.57 0.01 0.00 -0.21 0.00 0.00 178.00 178.91 1ufb s ALA 97 N -5.82 -0.88 0.22 -0.75 0.00 -1.26 -5.08 121.76 108.18 1ufb s ALA 97 Ca -0.11 -0.27 0.00 0.00 0.00 0.00 0.00 51.96 51.58 1ufb s ALA 97 Cb 0.21 0.86 0.00 0.00 0.00 0.00 0.00 23.12 24.19 1ufb s ALA 97 CO 0.80 -0.80 0.00 0.41 0.00 0.00 0.00 175.76 176.16 1ufb n GLY 98 N -0.34 -1.80 3.79 0.00 0.00 -1.26 -4.86 105.19 100.71 1ufb n GLY 98 Ca -0.10 -1.30 -0.31 0.00 0.00 0.00 0.00 46.02 44.32 1ufb n GLY 98 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ufb s PRO 99 N -1.96 2.42 0.18 1.61 0.04 -1.26 -4.76 135.00 131.27 1ufb s PRO 99 Ca 0.00 1.02 -0.13 0.00 0.04 0.00 0.00 61.00 61.93 1ufb s PRO 99 Cb 0.00 -1.93 0.09 0.00 0.04 0.00 0.00 34.50 32.70 1ufb s PRO 99 CO 0.00 -1.49 1.84 0.00 0.04 0.00 0.00 177.00 177.39 1ufb h ALA 100 N -1.01 0.75 -1.02 8.56 0.00 -1.85 -3.25 119.26 121.45 1ufb h ALA 100 Ca -0.44 -0.06 0.27 0.00 0.00 0.00 0.00 54.91 54.68 1ufb h ALA 100 Cb 1.23 -0.24 -0.07 0.00 0.00 0.00 0.00 17.79 18.71 1ufb h ALA 100 CO 0.54 0.21 0.69 0.00 0.00 0.00 0.00 179.25 180.69 1ufb h ALA 101 N 1.20 2.51 0.00 0.00 0.00 -1.87 -2.03 119.26 119.07 1ufb h ALA 101 Ca 0.22 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1ufb h ALA 101 Cb -0.06 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1ufb h ALA 101 CO -0.04 -0.85 0.00 2.89 0.00 0.00 0.00 179.25 181.24 1ufb n ARG 102 N -4.46 0.12 -0.17 0.00 1.85 -1.23 -3.14 116.66 109.64 1ufb n ARG 102 Ca 0.23 0.24 0.05 0.00 -1.00 0.00 0.00 57.85 57.37 1ufb n ARG 102 Cb 0.93 -1.68 0.14 0.00 -1.05 0.00 0.00 32.46 30.81 1ufb n ARG 102 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 1ufb n HIS 103 N -1.89 0.44 -5.03 2.89 8.25 -0.76 -4.87 115.22 114.24 1ufb n HIS 103 Ca 0.04 -0.22 -0.28 0.00 -0.26 0.00 0.00 57.72 57.00 1ufb n HIS 103 Cb 0.28 -0.00 -0.15 0.00 1.12 0.00 0.00 29.99 31.24 1ufb n HIS 103 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 1ufb s TYR 104 N -1.57 2.01 0.44 4.41 1.51 -1.19 -5.06 117.35 117.90 1ufb s TYR 104 Ca 0.22 -0.38 0.06 0.00 -1.01 0.00 0.00 57.07 55.95 1ufb s TYR 104 Cb 0.11 -1.27 -0.05 0.00 -0.11 0.00 0.00 41.96 40.64 1ufb s TYR 104 CO 0.15 -0.00 0.09 0.95 -1.11 0.00 0.00 175.55 175.63 1ufb s THR 105 N -0.59 1.93 0.13 -0.71 -4.23 -1.26 -4.61 115.64 106.31 1ufb s THR 105 Ca 0.09 -1.86 -0.15 0.00 -1.18 0.00 0.00 61.69 58.59 1ufb s THR 105 Cb -0.09 -2.79 -0.01 0.00 1.34 0.00 0.00 72.50 70.96 1ufb s THR 105 CO -0.00 0.00 1.64 -0.09 -0.54 0.00 0.00 174.62 175.62 1ufb h ARG 106 N 1.50 0.66 -0.86 3.99 2.43 -1.96 -1.87 114.38 118.28 1ufb h ARG 106 Ca -0.43 -0.16 -0.02 0.00 -0.81 0.00 0.00 59.98 58.56 1ufb h ARG 106 Cb 1.26 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 30.68 1ufb h ARG 106 CO 0.74 0.67 0.44 -0.07 -1.51 0.00 0.00 179.97 180.24 1ufb h LEU 107 N 0.53 1.09 -0.40 3.80 3.38 -1.99 0.27 115.31 122.00 1ufb h LEU 107 Ca 0.13 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 58.00 1ufb h LEU 107 Cb 0.30 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1ufb h LEU 107 CO 0.00 0.90 0.25 -0.33 0.09 0.00 0.00 178.44 179.35 1ufb h GLU 108 N 1.21 0.49 -0.41 1.13 5.08 -1.92 -1.10 114.58 119.05 1ufb h GLU 108 Ca 0.30 -0.03 -0.11 0.00 -1.00 0.00 0.00 59.36 58.52 1ufb h GLU 108 Cb 0.07 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 1ufb h GLU 108 CO -0.04 0.32 -0.18 0.00 -1.00 0.00 0.00 179.01 178.11 1ufb h ALA 109 N 1.16 0.91 -0.52 3.43 0.00 -0.90 0.18 119.26 123.52 1ufb h ALA 109 Ca 0.15 -0.35 -0.09 0.00 0.00 0.00 0.00 54.91 54.62 1ufb h ALA 109 Cb -0.03 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1ufb h ALA 109 CO -0.05 0.62 -0.04 0.93 0.00 0.00 0.00 179.25 180.71 1ufb h GLU 110 N 0.69 0.90 -0.82 0.00 5.08 -0.26 -0.15 114.58 120.02 1ufb h GLU 110 Ca 0.10 -0.28 -0.04 0.00 -1.00 0.00 0.00 59.36 58.15 1ufb h GLU 110 Cb 0.69 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.82 1ufb h GLU 110 CO 0.05 0.92 0.37 1.49 -1.00 0.00 0.00 179.01 180.83 1ufb h GLU 111 N 0.82 1.20 -0.65 2.33 4.81 -0.99 -0.29 114.58 121.81 1ufb h GLU 111 Ca 0.15 -0.19 0.01 0.00 -0.13 0.00 0.00 59.36 59.19 1ufb h GLU 111 Cb 0.54 -0.21 -0.03 0.00 0.63 0.00 0.00 28.75 29.68 1ufb h GLU 111 CO 0.03 0.95 0.43 0.00 -0.73 0.00 0.00 179.01 179.68 1ufb h ALA 112 N 1.20 0.82 -0.91 2.92 0.00 0.01 0.80 119.26 124.10 1ufb h ALA 112 Ca 0.28 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1ufb h ALA 112 Cb 0.16 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 1ufb h ALA 112 CO -0.03 0.26 0.52 -0.07 0.00 0.00 0.00 179.25 179.94 1ufb h LEU 113 N 0.88 1.12 -0.49 0.00 3.38 -0.60 -0.77 115.31 118.83 1ufb h LEU 113 Ca 0.24 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1ufb h LEU 113 Cb -0.09 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.35 1ufb h LEU 113 CO -0.05 0.88 0.31 0.44 0.09 0.00 0.00 178.44 180.11 1ufb h ASP 114 N 1.27 0.58 -0.50 -0.43 3.32 0.35 0.37 116.42 121.37 1ufb h ASP 114 Ca 0.32 -0.03 -0.10 0.00 0.02 0.00 0.00 57.03 57.24 1ufb h ASP 114 Cb -0.01 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.38 1ufb h ASP 114 CO -0.06 0.44 -0.07 -0.07 -1.72 0.00 0.00 179.24 177.76 1ufb h LEU 115 N 0.66 0.92 -0.73 1.55 3.38 -0.57 -1.82 115.31 118.72 1ufb h LEU 115 Ca 0.18 -0.34 -0.10 0.00 0.09 0.00 0.00 57.88 57.71 1ufb h LEU 115 Cb -0.05 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.43 1ufb h LEU 115 CO -0.04 1.05 -0.06 0.00 0.09 0.00 0.00 178.44 179.48 1ufb h ALA 116 N 0.91 0.92 -0.81 1.53 0.00 -0.90 -2.23 119.26 118.68 1ufb h ALA 116 Ca 0.13 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1ufb h ALA 116 Cb 0.61 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 1ufb h ALA 116 CO 0.04 0.63 0.41 0.37 0.00 0.00 0.00 179.25 180.70 1ufb h GLN 117 N 0.84 1.15 -0.88 0.00 5.75 -0.70 0.70 115.11 121.97 1ufb h GLN 117 Ca 0.15 -0.15 0.02 0.00 -0.15 0.00 0.00 58.65 58.51 1ufb h GLN 117 Cb 0.57 -0.22 -0.05 0.00 1.07 0.00 0.00 27.48 28.86 1ufb h GLN 117 CO 0.03 0.87 0.58 0.87 -2.65 0.00 0.00 178.83 178.53 1ufb h LYS 118 N 1.15 1.12 -0.18 1.69 1.57 -0.95 0.83 116.57 121.80 1ufb h LYS 118 Ca 0.28 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.98 1ufb h LYS 118 Cb 0.08 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.13 1ufb h LYS 118 CO -0.04 0.74 0.04 0.82 -0.57 0.00 0.00 179.45 180.44 1ufb h ILE 119 N 1.16 1.21 -0.79 1.86 1.08 -0.75 -1.39 117.51 119.89 1ufb h ILE 119 Ca 0.34 -0.69 0.04 0.00 -0.39 0.00 0.00 64.86 64.16 1ufb h ILE 119 Cb -0.07 1.32 -0.05 0.00 -3.07 0.00 0.00 36.82 34.94 1ufb h ILE 119 CO -0.09 0.21 0.50 -0.07 -0.69 0.00 0.00 178.15 178.01 1ufb h LEU 120 N 0.10 0.82 -0.48 1.44 -0.00 -0.58 -0.18 115.31 116.43 1ufb h LEU 120 Ca 0.06 0.00 -0.14 0.00 -0.00 0.00 0.00 57.88 57.80 1ufb h LEU 120 Cb 0.29 -0.18 -0.01 0.00 -0.00 0.00 0.00 40.66 40.76 1ufb h LEU 120 CO 0.00 0.56 -0.26 0.00 -0.00 0.00 0.00 178.44 178.74 1ufb h ALA 121 N 1.34 0.67 -0.07 1.53 0.00 -0.67 0.21 119.26 122.28 1ufb h ALA 121 Ca 0.32 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1ufb h ALA 121 Cb 0.04 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1ufb h ALA 121 CO -0.12 0.68 0.04 0.35 0.00 0.00 0.00 179.25 180.19 1ufb h PHE 122 N 0.82 0.09 -0.59 0.00 3.57 -0.97 -1.59 116.94 118.27 1ufb h PHE 122 Ca 0.10 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.59 1ufb h PHE 122 Cb 0.85 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.53 1ufb h PHE 122 CO 0.05 0.12 0.36 0.28 -2.23 0.00 0.00 178.31 176.90 1ufb h VAL 123 N 0.03 1.17 -0.41 1.41 2.07 -0.66 -0.75 116.25 119.11 1ufb h VAL 123 Ca 0.02 -0.37 -0.03 0.00 0.82 0.00 0.00 66.70 67.15 1ufb h VAL 123 Cb 0.06 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.16 1ufb h VAL 123 CO -0.00 0.17 0.14 -0.33 0.02 0.00 0.00 177.57 177.57 1ufb h GLU 124 N 0.80 0.59 0.00 1.57 5.08 -0.29 -1.07 114.58 121.26 1ufb h GLU 124 Ca 0.21 -0.09 -0.07 0.00 -1.00 0.00 0.00 59.36 58.42 1ufb h GLU 124 Cb -0.03 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 1ufb h GLU 124 CO -0.04 0.51 -0.35 1.05 -1.00 0.00 0.00 179.01 179.18 1ufb h GLU 125 N 0.58 0.00 -0.00 2.33 4.11 -0.89 -3.20 114.58 117.52 1ufb h GLU 125 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.57 1ufb h GLU 125 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1ufb h GLU 125 CO -0.01 0.33 -0.38 1.63 0.07 0.00 0.00 179.01 180.66 1ufb n LYS 126 N -3.18 0.33 0.00 1.06 4.76 -0.32 -5.10 118.16 115.71 1ufb n LYS 126 Ca 0.03 -0.18 0.15 0.00 -2.87 0.00 0.00 58.31 55.43 1ufb n LYS 126 Cb 0.67 -1.50 0.77 0.00 -1.84 0.00 0.00 35.03 33.13 1ufb n LYS 126 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31