#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ugb s HIS 4 N 0.00 2.71 0.66 1.57 5.04 -1.26 -4.96 115.29 119.05 1ugb s HIS 4 Ca 0.00 1.41 -0.16 0.00 -1.54 0.00 0.00 55.06 54.77 1ugb s HIS 4 Cb 0.00 -3.67 0.00 0.00 0.04 0.00 0.00 32.58 28.96 1ugb s HIS 4 CO 0.00 -2.20 1.17 1.67 -2.34 0.00 0.00 174.74 173.04 1ugb s TRP 5 N -1.31 2.35 0.00 3.88 1.48 -1.26 -4.86 118.94 119.22 1ugb s TRP 5 Ca 0.61 1.56 0.00 0.00 -1.06 0.00 0.00 56.10 57.21 1ugb s TRP 5 Cb -0.37 -3.37 0.00 0.00 -1.16 0.00 0.00 33.47 28.57 1ugb s TRP 5 CO 0.47 -2.15 0.00 0.41 -4.06 0.00 0.00 176.95 171.62 1ugb n GLY 6 N 0.13 2.53 0.11 3.67 0.00 0.72 -5.02 105.19 107.32 1ugb n GLY 6 Ca 0.12 -0.61 0.06 0.00 0.00 0.00 0.00 46.02 45.59 1ugb n GLY 6 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1ugb n TYR 7 N 0.00 0.07 -2.45 1.61 4.01 -1.26 -3.49 117.16 115.64 1ugb n TYR 7 Ca 0.00 -0.80 -0.24 0.00 -0.16 0.00 0.00 57.90 56.70 1ugb n TYR 7 Cb 0.00 -0.12 0.08 0.00 -0.31 0.00 0.00 39.34 38.99 1ugb n TYR 7 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1ugb s GLY 8 N -2.11 1.76 0.40 2.72 0.00 -1.26 -4.63 107.32 104.20 1ugb s GLY 8 Ca 0.21 -1.36 0.14 0.00 0.00 0.00 0.00 44.72 43.71 1ugb s GLY 8 CO 0.03 -0.91 1.87 1.70 0.00 0.00 0.00 173.10 175.80 1ugb h LYS 9 N -0.45 0.50 -0.00 2.90 1.63 -1.97 0.61 116.57 119.78 1ugb h LYS 9 Ca -0.41 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.36 1ugb h LYS 9 Cb 1.29 -0.11 0.00 0.00 -0.60 0.00 0.00 32.23 32.80 1ugb h LYS 9 CO 0.49 0.33 -0.89 0.72 -3.45 0.00 0.00 179.45 176.65 1ugb n HIS 10 N -4.53 0.00 -1.61 1.91 8.25 -1.26 -4.53 115.22 113.46 1ugb n HIS 10 Ca 0.17 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.64 1ugb n HIS 10 Cb 0.57 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.69 1ugb n HIS 10 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1ugb n ASN 11 N -1.25 0.18 -3.38 0.41 6.94 -0.87 -4.79 115.26 112.49 1ugb n ASN 11 Ca 0.05 -1.77 -0.21 0.00 -0.02 0.00 0.00 54.58 52.62 1ugb n ASN 11 Cb 0.34 -0.15 0.15 0.00 -2.36 0.00 0.00 39.78 37.76 1ugb n ASN 11 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1ugb n GLY 12 N -0.09 -1.47 0.30 4.83 0.00 0.21 -0.20 105.19 108.76 1ugb n GLY 12 Ca 0.01 -1.69 0.16 0.00 0.00 0.00 0.00 46.02 44.50 1ugb n GLY 12 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ugb n PRO 13 N -3.11 -0.07 0.00 1.61 -0.02 -1.25 -0.05 135.00 132.11 1ugb n PRO 13 Ca 0.12 1.28 0.06 0.00 -2.02 0.00 0.00 63.50 62.94 1ugb n PRO 13 Cb 0.42 -2.09 0.25 0.00 -0.02 0.00 0.00 33.50 32.06 1ugb n PRO 13 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1ugb n GLU 14 N -5.20 0.00 -0.01 -0.52 0.00 -1.26 -2.32 120.64 111.33 1ugb n GLU 14 Ca 0.23 0.30 0.09 0.00 0.00 0.00 0.00 57.16 57.78 1ugb n GLU 14 Cb 0.76 -1.50 -0.13 0.00 0.00 0.00 0.00 31.44 30.57 1ugb n GLU 14 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 1ugb n HIS 15 N -1.50 0.00 -0.28 -1.84 8.25 0.92 -4.63 115.22 116.14 1ugb n HIS 15 Ca 0.03 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.60 1ugb n HIS 15 Cb 0.13 -0.27 0.36 0.00 1.12 0.00 0.00 29.99 31.34 1ugb n HIS 15 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 1ugb h TRP 16 N 0.00 0.86 -0.25 4.41 6.55 -1.44 -2.63 115.95 123.46 1ugb h TRP 16 Ca 0.00 0.03 0.07 0.00 0.95 0.00 0.00 58.89 59.94 1ugb h TRP 16 Cb 0.70 -0.27 -0.01 0.00 -0.86 0.00 0.00 29.16 28.72 1ugb h TRP 16 CO 0.00 0.31 0.25 1.12 -1.05 0.00 0.00 178.44 179.07 1ugb h HIS 17 N 0.72 0.00 -0.14 0.49 2.07 -1.78 0.74 115.15 117.25 1ugb h HIS 17 Ca 0.46 0.00 -0.10 0.00 -2.85 0.00 0.00 60.37 57.88 1ugb h HIS 17 Cb 0.72 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.68 1ugb h HIS 17 CO -0.00 0.00 -0.35 0.87 -3.07 0.00 0.00 177.93 175.38 1ugb h LYS 18 N 0.00 0.30 0.00 5.12 1.57 -1.82 -2.69 116.57 119.05 1ugb h LYS 18 Ca 0.12 -0.13 -0.16 0.00 -1.87 0.00 0.00 60.65 58.61 1ugb h LYS 18 Cb 0.61 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.88 1ugb h LYS 18 CO -0.00 0.61 -2.12 -0.25 -0.57 0.00 0.00 179.45 177.12 1ugb n ASP 19 N -4.07 0.05 -3.55 0.86 8.00 -0.60 -4.74 116.55 112.51 1ugb n ASP 19 Ca -0.01 0.02 -0.29 0.00 0.71 0.00 0.00 54.79 55.22 1ugb n ASP 19 Cb 0.44 1.48 -0.12 0.00 -0.02 0.00 0.00 41.12 42.91 1ugb n ASP 19 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1ugb s PHE 20 N -3.07 1.41 0.58 1.24 0.08 0.15 -4.99 117.98 113.39 1ugb s PHE 20 Ca -0.08 -2.18 0.29 0.00 0.12 0.00 0.00 56.93 55.07 1ugb s PHE 20 Cb 0.10 -1.34 1.49 0.00 -0.57 0.00 0.00 43.02 42.71 1ugb s PHE 20 CO 0.87 -0.79 1.94 -1.35 -0.10 0.00 0.00 175.22 175.78 1ugb h PRO 21 N 6.43 0.00 0.00 0.24 0.11 -1.71 -1.24 132.00 135.82 1ugb h PRO 21 Ca 0.10 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.21 1ugb h PRO 21 Cb 0.92 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.03 1ugb h PRO 21 CO 0.39 0.00 0.00 1.51 -0.21 0.00 0.00 178.00 179.69 1ugb n ILE 22 N -3.84 1.10 0.16 4.15 0.13 -1.26 -1.87 119.36 117.93 1ugb n ILE 22 Ca 0.08 0.66 0.18 0.00 -1.10 0.00 0.00 62.75 62.57 1ugb n ILE 22 Cb 0.63 -1.65 0.79 0.00 -0.84 0.00 0.00 39.64 38.57 1ugb n ILE 22 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1ugb h ALA 23 N 2.03 1.96 -0.59 1.51 0.00 -1.55 0.34 119.26 122.95 1ugb h ALA 23 Ca 0.00 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.73 1ugb h ALA 23 Cb 0.04 0.02 -0.10 0.00 0.00 0.00 0.00 17.79 17.75 1ugb h ALA 23 CO 0.00 -0.43 0.17 1.63 0.00 0.00 0.00 179.25 180.62 1ugb n LYS 24 N -3.82 3.30 -0.95 0.00 5.02 -0.78 -4.97 118.16 115.96 1ugb n LYS 24 Ca 0.04 -3.06 -0.23 0.00 -2.02 0.00 0.00 58.31 53.04 1ugb n LYS 24 Cb 0.44 -2.09 0.19 0.00 -0.02 0.00 0.00 35.03 33.54 1ugb n LYS 24 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ugb n GLY 25 N -0.37 -2.42 0.18 0.72 0.00 0.12 -5.00 105.19 98.42 1ugb n GLY 25 Ca 0.36 -1.53 0.12 0.00 0.00 0.00 0.00 46.02 44.97 1ugb n GLY 25 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1ugb h GLU 26 N 0.00 0.00 -2.03 1.61 4.39 -1.96 -3.38 114.58 113.21 1ugb h GLU 26 Ca -0.32 0.00 -0.51 0.00 0.34 0.00 0.00 59.36 58.87 1ugb h GLU 26 Cb 0.95 0.00 -0.41 0.00 -0.10 0.00 0.00 28.75 29.20 1ugb h GLU 26 CO 0.21 0.00 -1.04 2.89 -1.16 0.00 0.00 179.01 179.92 1ugb n ARG 27 N -2.87 1.66 -3.13 2.33 1.85 -1.26 -4.65 116.66 110.60 1ugb n ARG 27 Ca 0.03 -3.81 -0.30 0.00 -1.00 0.00 0.00 57.85 52.77 1ugb n ARG 27 Cb 0.52 -1.85 -0.04 0.00 -1.05 0.00 0.00 32.46 30.04 1ugb n ARG 27 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 1ugb s GLN 28 N -2.77 3.76 0.20 2.89 -1.52 -1.26 -2.95 119.66 118.01 1ugb s GLN 28 Ca 0.42 0.31 0.08 0.00 -1.95 0.00 0.00 55.36 54.22 1ugb s GLN 28 Cb 0.34 -2.52 -0.05 0.00 -0.22 0.00 0.00 33.01 30.56 1ugb s GLN 28 CO -0.09 0.12 -0.15 -1.12 -0.25 0.00 0.00 175.29 173.80 1ugb s SER 29 N -2.95 2.61 0.97 5.90 0.01 -1.26 -4.69 113.70 114.29 1ugb s SER 29 Ca 0.49 -1.00 -0.14 0.00 1.31 0.00 0.00 55.95 56.60 1ugb s SER 29 Cb -0.11 -0.14 0.21 0.00 0.21 0.00 0.00 66.02 66.19 1ugb s SER 29 CO 0.28 -0.15 1.27 -0.81 0.41 0.00 0.00 173.24 174.24 1ugb n PRO 30 N -0.30 -1.13 -4.15 12.44 -0.04 -1.26 -4.61 135.00 135.94 1ugb n PRO 30 Ca -0.09 -2.11 -0.10 0.00 -0.04 0.00 0.00 63.50 61.17 1ugb n PRO 30 Cb 0.60 -1.26 -0.10 0.00 -0.04 0.00 0.00 33.50 32.70 1ugb n PRO 30 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1ugb s VAL 31 N -3.75 0.08 -0.09 0.52 -7.23 -1.26 -0.25 120.40 108.41 1ugb s VAL 31 Ca 0.73 -1.90 -0.19 0.00 -1.81 0.00 0.00 61.98 58.81 1ugb s VAL 31 Cb -0.02 -2.13 -0.04 0.00 0.56 0.00 0.00 36.38 34.74 1ugb s VAL 31 CO 0.51 -0.36 0.50 -0.62 -0.31 0.00 0.00 175.10 174.82 1ugb s ASP 32 N -3.07 6.75 -0.46 4.85 2.15 -1.26 -3.30 116.67 122.33 1ugb s ASP 32 Ca 0.27 0.90 -0.20 0.00 0.43 0.00 0.00 52.55 53.94 1ugb s ASP 32 Cb 0.07 -2.30 0.03 0.00 -0.30 0.00 0.00 42.92 40.42 1ugb s ASP 32 CO 0.04 0.03 0.64 -0.63 -0.17 0.00 0.00 175.17 175.08 1ugb s ILE 33 N 0.40 4.83 -0.64 4.11 1.01 0.51 -4.95 121.20 126.48 1ugb s ILE 33 Ca 0.27 -0.09 -0.23 0.00 0.00 0.00 0.00 60.65 60.60 1ugb s ILE 33 Cb -0.16 -4.24 0.06 0.00 0.01 0.00 0.00 42.46 38.13 1ugb s ILE 33 CO 0.12 -0.68 0.97 -0.62 0.00 0.00 0.00 174.94 174.73 1ugb s ASP 34 N 2.24 6.21 0.64 3.58 2.15 -1.26 -0.42 116.67 129.80 1ugb s ASP 34 Ca 0.20 -0.83 0.40 0.00 0.43 0.00 0.00 52.55 52.75 1ugb s ASP 34 Cb -0.16 -2.43 2.20 0.00 -0.30 0.00 0.00 42.92 42.23 1ugb s ASP 34 CO 0.17 -1.41 2.32 0.71 -0.17 0.00 0.00 175.17 176.78 1ugb h THR 35 N 5.98 0.17 0.00 1.71 1.35 -1.95 -2.25 112.91 117.92 1ugb h THR 35 Ca -0.28 -0.04 -0.14 0.00 -0.55 0.00 0.00 66.41 65.39 1ugb h THR 35 Cb 1.07 1.03 -0.02 0.00 -1.73 0.00 0.00 68.15 68.50 1ugb h THR 35 CO 1.16 0.00 -0.99 0.45 -0.25 0.00 0.00 175.52 175.90 1ugb h HIS 36 N 0.00 0.00 -0.02 4.73 3.86 -2.03 -3.33 115.15 118.35 1ugb h HIS 36 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1ugb h HIS 36 Cb 0.03 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.50 1ugb h HIS 36 CO 0.00 0.58 -0.06 0.25 0.86 0.00 0.00 177.93 179.56 1ugb n THR 37 N -3.07 0.00 -2.26 2.45 -2.24 -0.89 -4.94 114.28 103.32 1ugb n THR 37 Ca -0.04 -0.47 -0.41 0.00 -2.27 0.00 0.00 64.05 60.87 1ugb n THR 37 Cb 0.80 1.39 -0.03 0.00 -2.10 0.00 0.00 70.33 70.39 1ugb n THR 37 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ugb s ALA 38 N -1.75 3.47 -0.30 6.98 0.00 -0.91 -4.83 121.76 124.42 1ugb s ALA 38 Ca 0.22 1.11 -0.15 0.00 0.00 0.00 0.00 51.96 53.13 1ugb s ALA 38 Cb 0.17 -3.42 -0.03 0.00 0.00 0.00 0.00 23.12 19.84 1ugb s ALA 38 CO 0.29 -0.45 0.39 0.21 0.00 0.00 0.00 175.76 176.20 1ugb s LYS 39 N -1.42 3.87 0.11 0.00 2.36 -0.45 -4.83 119.74 119.39 1ugb s LYS 39 Ca 0.48 -0.08 -0.31 0.00 -2.55 0.00 0.00 55.97 53.52 1ugb s LYS 39 Cb -0.36 -3.71 -0.09 0.00 -1.05 0.00 0.00 37.83 32.62 1ugb s LYS 39 CO 0.46 -0.38 1.58 -0.47 1.55 0.00 0.00 175.35 178.10 1ugb s TYR 40 N 2.11 2.80 -0.24 4.03 5.04 -1.26 -0.94 117.35 128.89 1ugb s TYR 40 Ca 0.15 0.53 0.01 0.00 -2.44 0.00 0.00 57.07 55.32 1ugb s TYR 40 Cb -0.16 -3.91 0.04 0.00 0.35 0.00 0.00 41.96 38.28 1ugb s TYR 40 CO 0.11 -3.48 -0.12 0.34 -1.34 0.00 0.00 175.55 171.06 1ugb s ASP 41 N 1.70 4.07 0.55 4.32 -1.08 -0.29 -4.87 116.67 121.08 1ugb s ASP 41 Ca 0.71 -1.06 0.33 0.00 -0.52 0.00 0.00 52.55 52.00 1ugb s ASP 41 Cb -0.41 -1.56 1.53 0.00 -1.46 0.00 0.00 42.92 41.02 1ugb s ASP 41 CO 0.31 -0.13 2.06 1.55 0.52 0.00 0.00 175.17 179.49 1ugb h PRO 42 N 7.89 0.00 0.00 4.34 0.13 -1.94 -2.87 132.00 139.55 1ugb h PRO 42 Ca -0.30 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.79 1ugb h PRO 42 Cb 1.08 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 1ugb h PRO 42 CO 0.54 0.06 -0.20 0.77 -0.23 0.00 0.00 178.00 178.94 1ugb h SER 43 N 0.00 0.00 -2.68 1.44 0.02 -1.96 -3.45 113.55 106.92 1ugb h SER 43 Ca -0.00 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.42 1ugb h SER 43 Cb 0.40 0.00 0.03 0.00 0.14 0.00 0.00 62.40 62.97 1ugb h SER 43 CO 0.01 0.20 1.00 -0.76 -1.14 0.00 0.00 176.83 176.14 1ugb s LEU 44 N -6.52 4.37 0.63 5.07 1.43 -1.08 -4.99 118.68 117.58 1ugb s LEU 44 Ca 0.02 2.54 -0.08 0.00 -1.03 0.00 0.00 54.13 55.58 1ugb s LEU 44 Cb 0.09 -3.57 0.01 0.00 0.03 0.00 0.00 46.19 42.75 1ugb s LEU 44 CO 0.65 -0.90 0.96 -0.54 0.23 0.00 0.00 176.35 176.75 1ugb s LYS 45 N 2.50 2.91 0.67 1.70 1.02 -1.22 -4.98 119.74 122.34 1ugb s LYS 45 Ca 0.74 0.15 -0.15 0.00 0.02 0.00 0.00 55.97 56.74 1ugb s LYS 45 Cb -0.41 -2.19 0.01 0.00 -0.52 0.00 0.00 37.83 34.71 1ugb s LYS 45 CO 0.33 -0.80 1.11 -2.14 -0.92 0.00 0.00 175.35 172.93 1ugb s PRO 46 N -5.10 2.74 0.44 -1.68 0.02 -1.26 -3.11 135.00 127.05 1ugb s PRO 46 Ca 0.55 1.38 -0.22 0.00 0.02 0.00 0.00 61.00 62.74 1ugb s PRO 46 Cb -0.11 -1.94 -0.09 0.00 0.02 0.00 0.00 34.50 32.38 1ugb s PRO 46 CO 0.47 -1.30 1.02 -0.51 -0.33 0.00 0.00 177.00 176.36 1ugb s LEU 47 N -4.95 3.98 -0.25 -5.54 1.43 -1.26 -1.63 118.68 110.45 1ugb s LEU 47 Ca 0.67 1.92 0.02 0.00 -1.03 0.00 0.00 54.13 55.70 1ugb s LEU 47 Cb -0.20 -4.42 0.06 0.00 0.03 0.00 0.00 46.19 41.66 1ugb s LEU 47 CO 0.43 -0.59 -0.07 -0.55 0.23 0.00 0.00 176.35 175.80 1ugb s SER 48 N -1.87 4.21 -0.34 2.29 0.15 0.44 -4.89 113.70 113.70 1ugb s SER 48 Ca 0.63 -1.36 -0.07 0.00 0.70 0.00 0.00 55.95 55.85 1ugb s SER 48 Cb -0.17 -1.39 0.03 0.00 -1.71 0.00 0.00 66.02 62.78 1ugb s SER 48 CO 0.21 -0.22 0.11 -0.69 1.20 0.00 0.00 173.24 173.85 1ugb s VAL 49 N 1.22 3.88 -0.58 4.45 1.01 -1.26 -1.72 120.40 127.40 1ugb s VAL 49 Ca -0.06 -1.04 -0.02 0.00 0.00 0.00 0.00 61.98 60.86 1ugb s VAL 49 Cb -0.19 -3.17 0.15 0.00 0.00 0.00 0.00 36.38 33.17 1ugb s VAL 49 CO -0.06 -0.14 0.38 -0.44 0.00 0.00 0.00 175.10 174.84 1ugb s SER 50 N 1.43 5.18 -0.08 3.32 0.01 -0.60 -4.91 113.70 118.06 1ugb s SER 50 Ca -0.01 -2.70 0.12 0.00 1.31 0.00 0.00 55.95 54.68 1ugb s SER 50 Cb -0.19 -1.84 0.34 0.00 0.21 0.00 0.00 66.02 64.55 1ugb s SER 50 CO 0.03 -0.39 1.27 -1.22 0.41 0.00 0.00 173.24 173.33 1ugb n TYR 51 N 3.68 0.52 0.27 2.43 4.01 -1.26 -1.94 117.16 124.87 1ugb n TYR 51 Ca 0.06 -0.69 0.16 0.00 -0.16 0.00 0.00 57.90 57.26 1ugb n TYR 51 Cb 0.38 -0.15 0.60 0.00 -0.31 0.00 0.00 39.34 39.86 1ugb n TYR 51 CO 0.00 0.00 0.00 0.38 -0.46 0.00 0.00 176.86 176.78 1ugb h ASP 52 N 1.44 0.00 -0.53 7.72 2.03 -1.91 -2.92 116.42 122.24 1ugb h ASP 52 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1ugb h ASP 52 Cb 0.99 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.49 1ugb h ASP 52 CO 0.08 0.02 0.00 0.00 -1.03 0.00 0.00 179.24 178.31 1ugb n GLN 53 N -3.12 3.07 -1.69 4.15 1.13 -1.25 -5.02 117.38 114.66 1ugb n GLN 53 Ca 0.01 -2.53 -0.43 0.00 -1.94 0.00 0.00 57.00 52.11 1ugb n GLN 53 Cb 0.35 -1.58 -0.01 0.00 0.11 0.00 0.00 30.24 29.10 1ugb n GLN 53 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ugb n ALA 54 N 0.91 1.25 -3.88 -1.58 0.00 -1.11 -4.68 120.51 111.42 1ugb n ALA 54 Ca 0.20 0.38 -0.30 0.00 0.00 0.00 0.00 53.44 53.72 1ugb n ALA 54 Cb 0.65 -2.26 -0.15 0.00 0.00 0.00 0.00 19.45 17.69 1ugb n ALA 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1ugb s THR 55 N -0.69 1.59 0.36 0.00 2.01 -1.26 -4.92 115.64 112.73 1ugb s THR 55 Ca 0.60 -1.86 -0.19 0.00 0.31 0.00 0.00 61.69 60.55 1ugb s THR 55 Cb -0.60 -2.18 -0.10 0.00 0.01 0.00 0.00 72.50 69.64 1ugb s THR 55 CO 0.57 -0.62 0.85 -0.94 -0.69 0.00 0.00 174.62 173.79 1ugb s SER 56 N 1.26 6.94 0.00 3.53 1.04 -1.26 -0.34 113.70 124.86 1ugb s SER 56 Ca 0.10 1.54 0.00 0.00 0.48 0.00 0.00 55.95 58.07 1ugb s SER 56 Cb -0.18 -2.47 0.00 0.00 0.10 0.00 0.00 66.02 63.46 1ugb s SER 56 CO -0.16 -0.23 0.00 0.18 0.98 0.00 0.00 173.24 174.01 1ugb n LEU 57 N -0.26 1.72 -3.64 2.42 4.77 0.03 -4.03 117.00 118.01 1ugb n LEU 57 Ca 0.04 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.91 1ugb n LEU 57 Cb 0.53 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.57 1ugb n LEU 57 CO 0.40 0.26 0.17 -0.60 -1.33 0.00 0.00 177.39 176.30 1ugb s ARG 58 N -1.90 1.01 -0.05 3.23 3.52 -1.23 -1.08 118.95 122.45 1ugb s ARG 58 Ca 0.00 -0.52 0.05 0.00 -0.13 0.00 0.00 55.73 55.13 1ugb s ARG 58 Cb 0.00 0.45 -0.01 0.00 -1.56 0.00 0.00 34.95 33.83 1ugb s ARG 58 CO 0.00 -0.37 -0.22 -1.50 -0.81 0.00 0.00 175.30 172.40 1ugb s ILE 59 N -3.13 1.79 0.00 4.11 2.07 -0.12 -0.80 121.20 125.11 1ugb s ILE 59 Ca -0.01 -0.92 0.01 0.00 -1.41 0.00 0.00 60.65 58.33 1ugb s ILE 59 Cb 0.00 -1.52 -0.01 0.00 0.13 0.00 0.00 42.46 41.07 1ugb s ILE 59 CO -0.07 0.50 -0.04 -0.22 -1.91 0.00 0.00 174.94 173.20 1ugb s LEU 60 N -0.06 2.03 -0.41 8.50 2.96 -0.25 -0.87 118.68 130.58 1ugb s LEU 60 Ca -0.04 -0.12 -0.18 0.00 -0.22 0.00 0.00 54.13 53.57 1ugb s LEU 60 Cb -0.13 -0.20 0.02 0.00 0.50 0.00 0.00 46.19 46.38 1ugb s LEU 60 CO 0.03 0.02 0.47 0.21 -1.32 0.00 0.00 176.35 175.76 1ugb s ASN 61 N -0.23 6.22 0.00 3.68 3.84 -0.04 -1.05 114.94 127.37 1ugb s ASN 61 Ca 0.00 -0.53 0.20 0.00 0.21 0.00 0.00 52.86 52.74 1ugb s ASN 61 Cb -0.02 -2.24 0.54 0.00 -0.55 0.00 0.00 41.25 38.98 1ugb s ASN 61 CO -0.00 -0.58 1.46 -0.46 -2.79 0.00 0.00 177.10 174.72 1ugb n ASN 62 N 5.70 3.25 0.00 -4.21 0.23 -0.78 -0.98 115.26 118.46 1ugb n ASN 62 Ca -0.06 -1.98 0.00 0.00 -0.53 0.00 0.00 54.58 52.01 1ugb n ASN 62 Cb 0.48 -0.37 0.00 0.00 -2.08 0.00 0.00 39.78 37.81 1ugb n ASN 62 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1ugb n GLY 63 N 1.47 3.30 0.00 4.83 0.00 -1.26 -4.76 105.19 108.77 1ugb n GLY 63 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1ugb n GLY 63 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1ugb n HIS 64 N -1.71 0.00 -3.35 1.61 1.44 -1.26 -4.68 115.22 107.27 1ugb n HIS 64 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 1ugb n HIS 64 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 1ugb n HIS 64 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1ugb n GLY 65 N 0.57 -1.07 3.18 -1.39 0.00 -1.26 -4.88 105.19 100.33 1ugb n GLY 65 Ca 0.00 -0.90 -0.23 0.00 0.00 0.00 0.00 46.02 44.89 1ugb n GLY 65 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1ugb s PHE 66 N -3.00 1.51 -0.00 1.61 -0.71 -1.26 -1.86 117.98 114.26 1ugb s PHE 66 Ca 0.00 -0.33 0.08 0.00 -1.04 0.00 0.00 56.93 55.63 1ugb s PHE 66 Cb 0.00 -0.92 -0.02 0.00 -1.21 0.00 0.00 43.02 40.86 1ugb s PHE 66 CO 0.00 0.03 -0.24 -0.80 -1.34 0.00 0.00 175.22 172.88 1ugb s ASN 67 N -0.88 3.29 -0.26 1.98 0.01 -0.21 -4.29 114.94 114.58 1ugb s ASN 67 Ca 0.05 -0.46 -0.08 0.00 -0.71 0.00 0.00 52.86 51.66 1ugb s ASN 67 Cb -0.08 -0.42 -0.03 0.00 0.41 0.00 0.00 41.25 41.13 1ugb s ASN 67 CO 0.01 0.30 0.11 -0.69 -1.51 0.00 0.00 177.10 175.31 1ugb s VAL 68 N -0.71 4.60 0.07 1.60 1.01 -0.51 -1.09 120.40 125.38 1ugb s VAL 68 Ca 0.11 -0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.01 1ugb s VAL 68 Cb -0.10 -3.17 -0.04 0.00 0.00 0.00 0.00 36.38 33.07 1ugb s VAL 68 CO 0.01 0.31 0.22 -1.61 0.00 0.00 0.00 175.10 174.02 1ugb s GLU 69 N 1.66 3.43 0.18 2.72 2.02 0.02 -1.90 118.70 126.83 1ugb s GLU 69 Ca 0.07 -0.46 0.09 0.00 0.02 0.00 0.00 54.97 54.68 1ugb s GLU 69 Cb -0.15 -3.03 -0.04 0.00 0.10 0.00 0.00 34.13 31.01 1ugb s GLU 69 CO 0.06 0.60 -0.19 -0.06 0.02 0.00 0.00 175.26 175.69 1ugb s PHE 70 N -1.54 1.93 -0.47 1.61 0.40 -0.51 -0.79 117.98 118.61 1ugb s PHE 70 Ca 0.35 -0.45 -0.29 0.00 -0.60 0.00 0.00 56.93 55.94 1ugb s PHE 70 Cb -0.13 -0.94 0.01 0.00 0.51 0.00 0.00 43.02 42.48 1ugb s PHE 70 CO 0.28 0.40 1.37 0.34 0.70 0.00 0.00 175.22 178.31 1ugb s ASP 71 N -2.82 6.32 -0.42 1.36 2.15 0.53 -4.85 116.67 118.94 1ugb s ASP 71 Ca 0.19 0.62 0.05 0.00 0.43 0.00 0.00 52.55 53.83 1ugb s ASP 71 Cb -0.05 -2.54 0.51 0.00 -0.30 0.00 0.00 42.92 40.53 1ugb s ASP 71 CO 0.08 -1.49 1.63 -0.90 -0.17 0.00 0.00 175.17 174.32 1ugb n ASP 72 N 8.91 4.61 -0.17 -0.34 5.75 -1.26 -4.57 116.55 129.47 1ugb n ASP 72 Ca 0.15 -3.76 0.13 0.00 -0.01 0.00 0.00 54.79 51.30 1ugb n ASP 72 Cb 0.48 -0.70 0.46 0.00 -1.03 0.00 0.00 41.12 40.34 1ugb n ASP 72 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1ugb n SER 73 N -0.98 0.75 -3.90 -1.12 3.41 -1.26 -4.91 113.62 105.60 1ugb n SER 73 Ca 0.48 -0.68 -0.09 0.00 -0.26 0.00 0.00 58.87 58.31 1ugb n SER 73 Cb 1.02 0.05 -0.06 0.00 -0.26 0.00 0.00 64.21 64.96 1ugb n SER 73 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1ugb s GLN 74 N -2.54 1.26 -1.13 4.33 -0.21 -1.26 -5.06 119.66 115.05 1ugb s GLN 74 Ca 0.25 -1.09 -0.10 0.00 0.02 0.00 0.00 55.36 54.44 1ugb s GLN 74 Cb 0.19 0.43 -0.07 0.00 1.00 0.00 0.00 33.01 34.56 1ugb s GLN 74 CO 0.52 -0.49 2.31 -0.25 -2.12 0.00 0.00 175.29 175.26 1ugb n ASP 75 N -0.27 5.51 -0.06 5.90 9.92 -1.26 -4.56 116.55 131.72 1ugb n ASP 75 Ca -0.08 -2.48 -0.19 0.00 -0.53 0.00 0.00 54.79 51.52 1ugb n ASP 75 Cb 0.63 -1.26 -0.13 0.00 -0.64 0.00 0.00 41.12 39.72 1ugb n ASP 75 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 1ugb h LYS 76 N 6.17 0.07 -4.51 -1.24 1.57 -1.88 -3.44 116.57 113.31 1ugb h LYS 76 Ca 0.59 -0.11 -0.63 0.00 -1.87 0.00 0.00 60.65 58.62 1ugb h LYS 76 Cb 0.30 0.04 -0.38 0.00 0.08 0.00 0.00 32.23 32.27 1ugb h LYS 76 CO 1.64 1.05 -0.78 0.00 -0.57 0.00 0.00 179.45 180.80 1ugb s ALA 77 N -2.35 2.23 0.19 3.86 0.00 -1.26 -3.76 121.76 120.67 1ugb s ALA 77 Ca -0.23 -1.63 0.06 0.00 0.00 0.00 0.00 51.96 50.16 1ugb s ALA 77 Cb 0.03 -1.55 -0.05 0.00 0.00 0.00 0.00 23.12 21.55 1ugb s ALA 77 CO 0.67 -1.28 -0.11 0.14 0.00 0.00 0.00 175.76 175.19 1ugb s VAL 78 N 1.26 1.44 -0.04 0.00 -7.23 -0.82 -1.02 120.40 114.00 1ugb s VAL 78 Ca -0.04 -2.13 0.04 0.00 -1.81 0.00 0.00 61.98 58.04 1ugb s VAL 78 Cb -0.19 -2.04 -0.00 0.00 0.56 0.00 0.00 36.38 34.71 1ugb s VAL 78 CO -0.07 -0.60 -0.16 -0.22 -0.31 0.00 0.00 175.10 173.75 1ugb s LEU 79 N -3.27 1.90 0.32 1.32 2.96 0.62 -1.56 118.68 120.98 1ugb s LEU 79 Ca 0.22 -0.32 -0.11 0.00 -0.22 0.00 0.00 54.13 53.70 1ugb s LEU 79 Cb 0.02 -0.88 0.02 0.00 0.50 0.00 0.00 46.19 45.84 1ugb s LEU 79 CO 0.05 0.14 0.59 -1.59 -1.32 0.00 0.00 176.35 174.23 1ugb s LYS 80 N 0.02 1.90 1.27 1.98 -2.85 -0.70 -1.61 119.74 119.76 1ugb s LYS 80 Ca -0.03 -1.46 0.00 0.00 -1.00 0.00 0.00 55.97 53.49 1ugb s LYS 80 Cb -0.10 0.52 0.00 0.00 -2.06 0.00 0.00 37.83 36.19 1ugb s LYS 80 CO 0.02 -0.83 0.00 0.41 0.10 0.00 0.00 175.35 175.04 1ugb n GLY 81 N -0.50 -1.79 7.00 0.59 0.00 -1.26 -0.42 105.19 108.82 1ugb n GLY 81 Ca -0.03 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.51 1ugb n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ugb n GLY 82 N 0.00 2.81 0.74 -0.02 0.00 -0.65 -1.66 105.19 106.42 1ugb n GLY 82 Ca 0.00 -0.32 0.08 0.00 0.00 0.00 0.00 46.02 45.78 1ugb n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ugb n PRO 83 N 13.64 1.94 -3.51 1.61 -0.04 -1.26 -3.45 135.00 143.92 1ugb n PRO 83 Ca 0.00 -1.45 -0.36 0.00 -0.04 0.00 0.00 63.50 61.65 1ugb n PRO 83 Cb 0.00 -1.35 -0.06 0.00 -0.04 0.00 0.00 33.50 32.05 1ugb n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1ugb s LEU 84 N -1.16 4.39 -0.21 1.53 1.43 -0.66 -5.07 118.68 118.92 1ugb s LEU 84 Ca 0.30 0.90 -0.03 0.00 -1.03 0.00 0.00 54.13 54.26 1ugb s LEU 84 Cb 0.16 -2.90 -0.00 0.00 0.03 0.00 0.00 46.19 43.48 1ugb s LEU 84 CO 0.21 0.21 -0.07 -1.81 0.23 0.00 0.00 176.35 175.12 1ugb s ASP 85 N -1.53 4.07 0.00 2.29 1.01 -1.26 -4.12 116.67 117.12 1ugb s ASP 85 Ca 0.31 -0.45 0.00 0.00 0.71 0.00 0.00 52.55 53.12 1ugb s ASP 85 Cb -0.15 -1.69 0.00 0.00 1.01 0.00 0.00 42.92 42.09 1ugb s ASP 85 CO 0.17 -0.02 0.00 0.61 0.21 0.00 0.00 175.17 176.14 1ugb n GLY 86 N 4.76 -3.79 3.74 0.21 0.00 -1.26 -4.99 105.19 103.86 1ugb n GLY 86 Ca -0.19 -2.12 -0.36 0.00 0.00 0.00 0.00 46.02 43.35 1ugb n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ugb s THR 87 N -0.86 4.77 -0.15 2.61 2.01 -1.26 -4.57 115.64 118.18 1ugb s THR 87 Ca 0.00 -0.07 0.01 0.00 0.31 0.00 0.00 61.69 61.94 1ugb s THR 87 Cb 0.00 -3.05 0.02 0.00 0.01 0.00 0.00 72.50 69.48 1ugb s THR 87 CO 0.00 0.59 -0.17 -0.31 -0.69 0.00 0.00 174.62 174.04 1ugb s TYR 88 N -0.73 2.33 0.01 4.92 1.51 -0.63 -1.44 117.35 123.33 1ugb s TYR 88 Ca 0.12 -1.28 -0.20 0.00 -1.01 0.00 0.00 57.07 54.70 1ugb s TYR 88 Cb -0.12 -1.66 -0.06 0.00 -0.11 0.00 0.00 41.96 40.01 1ugb s TYR 88 CO 0.03 -0.66 0.59 1.03 -1.11 0.00 0.00 175.55 175.42 1ugb s ARG 89 N 1.27 4.29 0.02 -0.62 0.52 -0.29 -0.27 118.95 123.87 1ugb s ARG 89 Ca 0.01 0.73 -0.30 0.00 -0.52 0.00 0.00 55.73 55.65 1ugb s ARG 89 Cb -0.14 -3.32 -0.06 0.00 0.52 0.00 0.00 34.95 31.96 1ugb s ARG 89 CO -0.09 0.44 1.35 -1.17 0.02 0.00 0.00 175.30 175.85 1ugb s LEU 90 N -0.42 4.33 -0.13 2.53 2.96 -0.19 -1.49 118.68 126.28 1ugb s LEU 90 Ca 0.30 2.11 0.04 0.00 -0.22 0.00 0.00 54.13 56.36 1ugb s LEU 90 Cb -0.18 -3.57 -0.10 0.00 0.50 0.00 0.00 46.19 42.83 1ugb s LEU 90 CO 0.18 -0.66 -0.07 0.00 -1.32 0.00 0.00 176.35 174.48 1ugb n ILE 91 N 4.43 0.77 -3.57 6.68 3.06 -0.39 -4.53 119.36 125.81 1ugb n ILE 91 Ca 0.12 -0.35 -0.06 0.00 -2.50 0.00 0.00 62.75 59.96 1ugb n ILE 91 Cb 0.44 -0.89 -0.02 0.00 0.54 0.00 0.00 39.64 39.71 1ugb n ILE 91 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1ugb s GLN 92 N -2.27 0.65 0.09 9.51 1.03 -1.23 -1.42 119.66 126.02 1ugb s GLN 92 Ca -0.14 -0.27 0.04 0.00 0.04 0.00 0.00 55.36 55.03 1ugb s GLN 92 Cb 0.04 0.28 -0.03 0.00 0.03 0.00 0.00 33.01 33.33 1ugb s GLN 92 CO 0.36 -0.29 -0.12 -0.59 -2.54 0.00 0.00 175.29 172.11 1ugb s PHE 93 N -2.84 1.12 0.27 9.60 -0.12 -0.80 -1.20 117.98 124.02 1ugb s PHE 93 Ca 0.08 -0.58 -0.13 0.00 -0.05 0.00 0.00 56.93 56.25 1ugb s PHE 93 Cb -0.01 -0.62 0.01 0.00 -0.63 0.00 0.00 43.02 41.77 1ugb s PHE 93 CO -0.06 0.03 0.55 -3.38 -0.05 0.00 0.00 175.22 172.31 1ugb s HIS 94 N -2.02 0.32 0.25 3.49 -3.43 -0.69 -1.42 115.29 111.79 1ugb s HIS 94 Ca 0.03 -0.71 0.06 0.00 -0.80 0.00 0.00 55.06 53.64 1ugb s HIS 94 Cb -0.06 0.31 -0.05 0.00 -1.43 0.00 0.00 32.58 31.35 1ugb s HIS 94 CO 0.01 -1.10 -0.07 -0.06 -2.00 0.00 0.00 174.74 171.52 1ugb s PHE 95 N -3.76 1.82 -0.04 0.38 0.40 -1.26 -0.93 117.98 114.59 1ugb s PHE 95 Ca 0.21 -0.71 0.02 0.00 -0.60 0.00 0.00 56.93 55.85 1ugb s PHE 95 Cb -0.02 -1.00 0.01 0.00 0.51 0.00 0.00 43.02 42.52 1ugb s PHE 95 CO 0.10 0.24 -0.11 -1.01 0.70 0.00 0.00 175.22 175.15 1ugb s HIS 96 N -3.07 1.20 0.24 0.36 3.76 -0.49 -4.76 115.29 112.52 1ugb s HIS 96 Ca 0.27 -0.37 -0.03 0.00 -0.15 0.00 0.00 55.06 54.79 1ugb s HIS 96 Cb 0.03 -0.87 -0.03 0.00 1.11 0.00 0.00 32.58 32.82 1ugb s HIS 96 CO 0.10 -0.18 0.26 1.67 -0.85 0.00 0.00 174.74 175.74 1ugb s TRP 97 N 0.43 1.02 0.54 1.40 -2.14 -1.23 -1.31 118.94 117.66 1ugb s TRP 97 Ca -0.08 -1.25 0.04 0.00 2.66 0.00 0.00 56.10 57.47 1ugb s TRP 97 Cb -0.12 -0.36 0.03 0.00 -3.10 0.00 0.00 33.47 29.92 1ugb s TRP 97 CO 0.02 -0.79 0.30 0.20 -2.66 0.00 0.00 176.95 174.01 1ugb s GLY 98 N -3.16 2.57 0.17 3.67 0.00 -1.19 -1.18 107.32 108.20 1ugb s GLY 98 Ca 0.35 -0.96 0.24 0.00 0.00 0.00 0.00 44.72 44.35 1ugb s GLY 98 CO 0.14 -2.02 1.41 1.48 0.00 0.00 0.00 173.10 174.10 1ugb h SER 99 N 0.89 0.00 -4.58 1.64 4.64 -1.89 -3.38 113.55 110.87 1ugb h SER 99 Ca -0.39 -0.14 -0.30 0.00 -0.47 0.00 0.00 61.79 60.50 1ugb h SER 99 Cb 1.31 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 63.21 1ugb h SER 99 CO 0.62 0.07 -0.73 -0.76 -0.87 0.00 0.00 176.83 175.15 1ugb s LEU 100 N -4.52 2.35 0.65 5.97 1.43 -1.26 -5.05 118.68 118.25 1ugb s LEU 100 Ca 0.07 -0.72 0.42 0.00 -1.03 0.00 0.00 54.13 52.87 1ugb s LEU 100 Cb 0.12 -0.23 2.30 0.00 0.03 0.00 0.00 46.19 48.41 1ugb s LEU 100 CO 0.70 -0.25 2.33 0.44 0.23 0.00 0.00 176.35 179.80 1ugb h ASP 101 N 3.91 0.00 -0.07 2.29 3.32 -1.92 -2.49 116.42 121.46 1ugb h ASP 101 Ca -0.37 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.68 1ugb h ASP 101 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 1ugb h ASP 101 CO 0.49 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.62 1ugb n GLY 102 N -1.02 -0.36 3.35 2.75 0.00 -1.26 -3.70 105.19 104.95 1ugb n GLY 102 Ca -0.03 -0.28 -0.10 0.00 0.00 0.00 0.00 46.02 45.62 1ugb n GLY 102 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1ugb s GLN 103 N -1.91 1.11 0.00 1.61 -2.07 -0.94 -4.72 119.66 112.75 1ugb s GLN 103 Ca 0.32 -0.88 0.00 0.00 -1.82 0.00 0.00 55.36 52.98 1ugb s GLN 103 Cb 0.16 0.44 0.00 0.00 -1.09 0.00 0.00 33.01 32.52 1ugb s GLN 103 CO 0.25 -0.43 0.00 0.41 -1.32 0.00 0.00 175.29 174.20 1ugb n GLY 104 N -0.22 2.88 3.82 2.60 0.00 -1.10 -3.20 105.19 109.97 1ugb n GLY 104 Ca -0.13 -0.36 -0.32 0.00 0.00 0.00 0.00 46.02 45.21 1ugb n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ugb s SER 105 N 0.00 5.65 -0.19 1.61 1.04 -0.60 -3.49 113.70 117.71 1ugb s SER 105 Ca 0.00 1.67 -0.17 0.00 0.48 0.00 0.00 55.95 57.93 1ugb s SER 105 Cb 0.00 -2.51 -0.13 0.00 0.10 0.00 0.00 66.02 63.49 1ugb s SER 105 CO 0.00 -1.26 0.01 -0.62 0.98 0.00 0.00 173.24 172.35 1ugb n GLU 106 N -2.65 0.53 -2.34 4.02 1.02 -1.26 -4.85 120.64 115.11 1ugb n GLU 106 Ca 0.08 0.52 -0.31 0.00 -0.02 0.00 0.00 57.16 57.42 1ugb n GLU 106 Cb 0.53 -1.69 -0.02 0.00 -0.02 0.00 0.00 31.44 30.24 1ugb n GLU 106 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1ugb s HIS 107 N -2.36 3.50 0.09 -0.32 3.76 -1.26 -4.39 115.29 114.30 1ugb s HIS 107 Ca -0.25 1.34 0.04 0.00 -0.15 0.00 0.00 55.06 56.03 1ugb s HIS 107 Cb 0.05 -2.71 -0.03 0.00 1.11 0.00 0.00 32.58 31.00 1ugb s HIS 107 CO 0.46 -0.41 -0.10 0.95 -0.85 0.00 0.00 174.74 174.79 1ugb s THR 108 N -2.73 0.90 -0.22 1.30 -4.23 -1.21 -4.72 115.64 104.73 1ugb s THR 108 Ca 0.56 -1.55 0.01 0.00 -1.18 0.00 0.00 61.69 59.54 1ugb s THR 108 Cb -0.10 -1.25 0.03 0.00 1.34 0.00 0.00 72.50 72.52 1ugb s THR 108 CO 0.37 -0.51 -0.14 -0.69 -0.54 0.00 0.00 174.62 173.11 1ugb s VAL 109 N -2.23 2.30 -1.53 2.29 1.01 -0.83 -0.36 120.40 121.05 1ugb s VAL 109 Ca 0.03 -1.16 -0.14 0.00 0.00 0.00 0.00 61.98 60.72 1ugb s VAL 109 Cb -0.04 -2.13 0.08 0.00 0.00 0.00 0.00 36.38 34.29 1ugb s VAL 109 CO 0.00 0.29 0.98 0.47 0.00 0.00 0.00 175.10 176.84 1ugb n ASP 110 N 4.58 -4.74 0.00 3.32 8.00 0.44 -0.42 116.55 127.72 1ugb n ASP 110 Ca -0.18 -0.78 0.00 0.00 0.71 0.00 0.00 54.79 54.54 1ugb n ASP 110 Cb 0.47 -3.89 0.00 0.00 -0.02 0.00 0.00 41.12 37.68 1ugb n ASP 110 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1ugb n LYS 111 N -4.68 0.00 -2.60 -1.24 4.76 -1.26 -5.00 118.16 108.13 1ugb n LYS 111 Ca 0.04 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.06 1ugb n LYS 111 Cb 0.53 -2.61 -0.03 0.00 -1.84 0.00 0.00 35.03 31.08 1ugb n LYS 111 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1ugb s LYS 112 N -0.14 4.54 -0.05 1.97 2.20 0.44 -4.99 119.74 123.71 1ugb s LYS 112 Ca 0.00 1.57 -0.03 0.00 -0.36 0.00 0.00 55.97 57.15 1ugb s LYS 112 Cb 0.00 -3.40 -0.04 0.00 -1.51 0.00 0.00 37.83 32.89 1ugb s LYS 112 CO 0.00 -0.08 0.09 0.15 -0.36 0.00 0.00 175.35 175.15 1ugb s LYS 113 N 0.79 3.19 0.43 4.03 1.02 -1.26 -1.96 119.74 125.98 1ugb s LYS 113 Ca 0.53 -0.36 0.08 0.00 0.02 0.00 0.00 55.97 56.24 1ugb s LYS 113 Cb -0.25 -2.96 -0.01 0.00 -0.52 0.00 0.00 37.83 34.10 1ugb s LYS 113 CO 0.29 0.70 0.44 0.71 -0.92 0.00 0.00 175.35 176.57 1ugb s TYR 114 N -1.10 2.62 0.31 3.18 1.51 -1.26 -4.74 117.35 117.87 1ugb s TYR 114 Ca 0.19 -0.50 0.23 0.00 -1.01 0.00 0.00 57.07 55.98 1ugb s TYR 114 Cb -0.12 -2.21 1.09 0.00 -0.11 0.00 0.00 41.96 40.61 1ugb s TYR 114 CO 0.10 -0.26 1.93 0.00 -1.11 0.00 0.00 175.55 176.21 1ugb h ALA 115 N 0.88 1.21 -2.34 3.71 0.00 -1.44 -1.55 119.26 119.73 1ugb h ALA 115 Ca -0.40 -0.20 0.18 0.00 0.00 0.00 0.00 54.91 54.48 1ugb h ALA 115 Cb 1.27 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.95 1ugb h ALA 115 CO 0.54 0.28 0.49 0.00 0.00 0.00 0.00 179.25 180.55 1ugb s ALA 116 N -4.00 -1.65 -0.10 0.00 0.00 -1.15 -3.36 121.76 111.50 1ugb s ALA 116 Ca -0.02 0.12 -0.04 0.00 0.00 0.00 0.00 51.96 52.02 1ugb s ALA 116 Cb 0.12 0.64 0.05 0.00 0.00 0.00 0.00 23.12 23.93 1ugb s ALA 116 CO 0.64 -1.05 0.21 -2.00 0.00 0.00 0.00 175.76 173.56 1ugb s GLU 117 N -3.28 0.12 -0.09 0.00 2.12 -0.43 -1.55 118.70 115.59 1ugb s GLU 117 Ca 0.12 0.56 -0.15 0.00 0.36 0.00 0.00 54.97 55.87 1ugb s GLU 117 Cb -0.01 -0.15 -0.05 0.00 0.26 0.00 0.00 34.13 34.18 1ugb s GLU 117 CO 0.02 -0.23 0.38 -1.17 -0.54 0.00 0.00 175.26 173.72 1ugb s LEU 118 N 1.81 4.34 -0.16 2.70 2.96 0.06 -1.40 118.68 128.99 1ugb s LEU 118 Ca -0.03 0.76 0.01 0.00 -0.22 0.00 0.00 54.13 54.64 1ugb s LEU 118 Cb -0.11 -2.53 0.02 0.00 0.50 0.00 0.00 46.19 44.07 1ugb s LEU 118 CO -0.07 0.17 -0.17 -1.00 -1.32 0.00 0.00 176.35 173.96 1ugb s HIS 119 N -0.12 2.40 -0.40 5.38 3.76 -0.11 -1.00 115.29 125.20 1ugb s HIS 119 Ca 0.22 -1.36 -0.11 0.00 -0.15 0.00 0.00 55.06 53.65 1ugb s HIS 119 Cb -0.15 -1.71 0.04 0.00 1.11 0.00 0.00 32.58 31.87 1ugb s HIS 119 CO 0.09 -0.70 0.25 -0.51 -0.85 0.00 0.00 174.74 173.02 1ugb s LEU 120 N 1.34 4.96 -0.15 0.89 1.43 -0.61 -1.71 118.68 124.82 1ugb s LEU 120 Ca 0.03 -1.14 -0.19 0.00 -1.03 0.00 0.00 54.13 51.80 1ugb s LEU 120 Cb -0.13 -2.05 -0.04 0.00 0.03 0.00 0.00 46.19 44.01 1ugb s LEU 120 CO -0.10 -0.46 0.53 -0.69 0.23 0.00 0.00 176.35 175.86 1ugb s VAL 121 N 1.55 5.12 0.09 -1.59 1.01 -0.34 -1.52 120.40 124.72 1ugb s VAL 121 Ca 0.03 1.03 0.07 0.00 0.00 0.00 0.00 61.98 63.11 1ugb s VAL 121 Cb -0.21 -3.86 -0.03 0.00 0.00 0.00 0.00 36.38 32.28 1ugb s VAL 121 CO 0.06 0.24 -0.19 -1.00 0.00 0.00 0.00 175.10 174.21 1ugb s HIS 122 N 1.18 1.60 0.05 5.22 3.76 -0.47 -1.26 115.29 125.36 1ugb s HIS 122 Ca 0.27 -0.42 0.08 0.00 -0.15 0.00 0.00 55.06 54.84 1ugb s HIS 122 Cb -0.16 -0.89 -0.03 0.00 1.11 0.00 0.00 32.58 32.62 1ugb s HIS 122 CO 0.11 0.15 -0.24 1.67 -0.85 0.00 0.00 174.74 175.58 1ugb s TRP 123 N -1.15 2.08 -0.16 1.40 1.48 -0.55 -1.82 118.94 120.22 1ugb s TRP 123 Ca 0.04 -0.39 -0.29 0.00 -1.06 0.00 0.00 56.10 54.39 1ugb s TRP 123 Cb -0.10 -1.24 -0.04 0.00 -1.16 0.00 0.00 33.47 30.93 1ugb s TRP 123 CO 0.03 0.11 1.76 1.21 -4.06 0.00 0.00 176.95 176.00 1ugb s ASN 124 N -1.22 6.31 0.66 -2.66 3.84 0.06 -1.13 114.94 120.79 1ugb s ASN 124 Ca 0.10 1.91 0.44 0.00 0.21 0.00 0.00 52.86 55.52 1ugb s ASN 124 Cb -0.09 -2.53 2.41 0.00 -0.55 0.00 0.00 41.25 40.48 1ugb s ASN 124 CO 0.02 -1.27 2.36 0.71 -2.79 0.00 0.00 177.10 176.12 1ugb h THR 125 N 6.12 0.00 -0.07 -5.21 1.35 -1.59 -2.00 112.91 111.50 1ugb h THR 125 Ca -0.38 0.00 0.02 0.00 -0.55 0.00 0.00 66.41 65.50 1ugb h THR 125 Cb 1.18 0.98 -0.00 0.00 -1.73 0.00 0.00 68.15 68.58 1ugb h THR 125 CO 0.98 0.00 0.07 0.50 -0.25 0.00 0.00 175.52 176.82 1ugb h LYS 127 N 0.00 0.00 -0.01 4.72 3.64 -1.91 -2.41 116.57 120.60 1ugb h LYS 127 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1ugb h LYS 127 Cb 0.02 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 1ugb h LYS 127 CO 0.00 0.00 -0.21 0.66 -2.27 0.00 0.00 179.45 177.63 1ugb n TYR 128 N -4.08 0.00 0.00 1.91 4.01 -0.75 -5.00 117.16 113.25 1ugb n TYR 128 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 1ugb n TYR 128 Cb 0.17 -0.08 0.00 0.00 -0.31 0.00 0.00 39.34 39.12 1ugb n TYR 128 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ugb n GLY 129 N 1.31 1.37 3.29 2.72 0.00 -0.91 -4.58 105.19 108.39 1ugb n GLY 129 Ca 0.14 -0.11 -0.10 0.00 0.00 0.00 0.00 46.02 45.95 1ugb n GLY 129 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1ugb s ASP 130 N 0.00 -0.10 0.21 1.61 1.47 -1.26 -5.05 116.67 113.55 1ugb s ASP 130 Ca 0.00 -0.47 -0.09 0.00 1.18 0.00 0.00 52.55 53.17 1ugb s ASP 130 Cb 0.00 0.43 0.28 0.00 -0.34 0.00 0.00 42.92 43.30 1ugb s ASP 130 CO 0.00 -0.82 1.76 0.15 0.68 0.00 0.00 175.17 176.94 1ugb h PHE 131 N 2.49 0.48 -0.98 2.11 3.57 -1.95 -2.00 116.94 120.68 1ugb h PHE 131 Ca -0.34 0.03 0.11 0.00 3.53 0.00 0.00 57.97 61.30 1ugb h PHE 131 Cb 1.24 -0.12 -0.08 0.00 2.79 0.00 0.00 35.95 39.78 1ugb h PHE 131 CO 0.36 0.15 0.62 0.78 -2.23 0.00 0.00 178.31 178.00 1ugb h GLY 132 N 0.48 1.53 1.31 2.40 0.00 -1.96 -1.88 103.07 104.95 1ugb h GLY 132 Ca 0.31 -0.42 -0.29 0.00 0.00 0.00 0.00 47.33 46.93 1ugb h GLY 132 CO -0.28 0.20 -1.24 0.50 0.00 0.00 0.00 176.54 175.71 1ugb h LYS 133 N 0.99 0.56 -0.81 4.80 1.79 -1.75 -3.34 116.57 118.81 1ugb h LYS 133 Ca 0.47 -0.77 0.06 0.00 -2.18 0.00 0.00 60.65 58.23 1ugb h LYS 133 Cb 0.43 0.26 -0.06 0.00 -1.58 0.00 0.00 32.23 31.28 1ugb h LYS 133 CO -0.23 1.35 0.49 0.00 -1.08 0.00 0.00 179.45 179.98 1ugb h ALA 134 N 0.35 1.12 0.00 3.86 0.00 -0.64 -2.02 119.26 121.93 1ugb h ALA 134 Ca -0.18 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1ugb h ALA 134 Cb 1.92 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.50 1ugb h ALA 134 CO 0.23 0.22 0.00 1.33 0.00 0.00 0.00 179.25 181.03 1ugb n VAL 135 N -4.66 1.49 1.24 0.00 0.24 -0.78 -1.49 118.33 114.37 1ugb n VAL 135 Ca 0.12 0.46 0.13 0.00 -2.04 0.00 0.00 64.34 63.00 1ugb n VAL 135 Cb 0.18 -1.40 0.39 0.00 -1.47 0.00 0.00 33.84 31.54 1ugb n VAL 135 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ugb n GLN 136 N -1.70 1.87 -4.25 7.34 6.02 -0.76 -4.66 117.38 121.24 1ugb n GLN 136 Ca 0.01 -1.28 -0.29 0.00 -0.01 0.00 0.00 57.00 55.42 1ugb n GLN 136 Cb 0.07 -1.46 -0.10 0.00 1.02 0.00 0.00 30.24 29.77 1ugb n GLN 136 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1ugb s GLN 137 N -1.90 2.03 0.50 -1.09 -1.52 -0.56 -5.03 119.66 112.09 1ugb s GLN 137 Ca 0.35 -1.08 0.22 0.00 -1.95 0.00 0.00 55.36 52.89 1ugb s GLN 137 Cb 0.20 -2.24 1.30 0.00 -0.22 0.00 0.00 33.01 32.04 1ugb s GLN 137 CO 0.31 0.50 2.06 -1.00 -0.25 0.00 0.00 175.29 176.91 1ugb h PRO 138 N 3.60 0.00 -0.31 2.91 0.13 -1.86 -2.02 132.00 134.44 1ugb h PRO 138 Ca -0.49 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.45 1ugb h PRO 138 Cb 1.17 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.17 1ugb h PRO 138 CO 0.50 0.13 -0.30 -0.40 -0.23 0.00 0.00 178.00 177.70 1ugb n ASP 139 N -3.99 2.74 0.01 1.44 5.75 -1.26 -4.23 116.55 117.01 1ugb n ASP 139 Ca -0.02 -3.83 -0.13 0.00 -0.01 0.00 0.00 54.79 50.79 1ugb n ASP 139 Cb 0.22 -0.57 -0.01 0.00 -1.03 0.00 0.00 41.12 39.72 1ugb n ASP 139 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1ugb h GLY 140 N 1.21 0.68 -3.00 6.12 0.00 -1.26 -3.43 103.07 103.38 1ugb h GLY 140 Ca 0.18 -0.93 -0.60 0.00 0.00 0.00 0.00 47.33 45.99 1ugb h GLY 140 CO 0.35 0.83 -0.79 1.08 0.00 0.00 0.00 176.54 178.01 1ugb s LEU 141 N -8.23 2.47 -0.11 3.11 1.43 -0.05 -0.76 118.68 116.54 1ugb s LEU 141 Ca -0.08 -0.90 -0.01 0.00 -1.03 0.00 0.00 54.13 52.11 1ugb s LEU 141 Cb 0.10 -1.03 0.03 0.00 0.03 0.00 0.00 46.19 45.32 1ugb s LEU 141 CO 0.87 0.04 -0.04 0.00 0.23 0.00 0.00 176.35 177.46 1ugb s ALA 142 N -2.01 1.11 -0.16 4.21 0.00 -0.75 -1.31 121.76 122.86 1ugb s ALA 142 Ca 0.21 -0.45 0.01 0.00 0.00 0.00 0.00 51.96 51.72 1ugb s ALA 142 Cb -0.06 -0.90 0.01 0.00 0.00 0.00 0.00 23.12 22.16 1ugb s ALA 142 CO 0.10 -0.53 -0.17 0.08 0.00 0.00 0.00 175.76 175.23 1ugb s VAL 143 N 1.80 2.41 -0.33 0.00 1.01 -0.81 -1.37 120.40 123.10 1ugb s VAL 143 Ca 0.04 -0.85 -0.20 0.00 0.00 0.00 0.00 61.98 60.97 1ugb s VAL 143 Cb -0.13 -2.01 -0.00 0.00 0.00 0.00 0.00 36.38 34.24 1ugb s VAL 143 CO -0.07 0.52 0.64 -0.22 0.00 0.00 0.00 175.10 175.97 1ugb s LEU 144 N 0.98 4.20 -0.17 3.92 2.96 -0.57 -1.34 118.68 128.65 1ugb s LEU 144 Ca -0.03 0.28 -0.07 0.00 -0.22 0.00 0.00 54.13 54.09 1ugb s LEU 144 Cb -0.15 -2.81 -0.04 0.00 0.50 0.00 0.00 46.19 43.69 1ugb s LEU 144 CO -0.04 -0.55 0.06 -0.83 -1.32 0.00 0.00 176.35 173.68 1ugb s GLY 145 N 1.73 1.92 -0.08 7.98 0.00 0.16 -1.58 107.32 117.45 1ugb s GLY 145 Ca 0.25 -0.74 0.02 0.00 0.00 0.00 0.00 44.72 44.25 1ugb s GLY 145 CO 0.14 -0.03 -0.11 -0.42 0.00 0.00 0.00 173.10 172.67 1ugb s ILE 146 N 0.15 1.13 0.31 0.90 1.01 -0.17 -1.42 121.20 123.10 1ugb s ILE 146 Ca 0.05 -0.45 -0.26 0.00 0.00 0.00 0.00 60.65 59.99 1ugb s ILE 146 Cb -0.12 -1.06 -0.10 0.00 0.01 0.00 0.00 42.46 41.19 1ugb s ILE 146 CO 0.01 0.36 0.92 -0.36 0.00 0.00 0.00 174.94 175.87 1ugb s PHE 147 N 0.90 3.70 -0.14 3.97 0.08 -1.26 -0.77 117.98 124.47 1ugb s PHE 147 Ca -0.10 1.75 0.01 0.00 0.12 0.00 0.00 56.93 58.71 1ugb s PHE 147 Cb -0.15 -2.89 -0.00 0.00 -0.57 0.00 0.00 43.02 39.40 1ugb s PHE 147 CO 0.01 0.24 -0.17 -0.51 -0.10 0.00 0.00 175.22 174.68 1ugb s LEU 148 N -2.00 2.40 0.19 -0.37 1.02 -0.60 -0.77 118.68 118.55 1ugb s LEU 148 Ca 0.49 -0.48 0.10 0.00 0.02 0.00 0.00 54.13 54.26 1ugb s LEU 148 Cb -0.19 -1.53 -0.04 0.00 0.02 0.00 0.00 46.19 44.45 1ugb s LEU 148 CO 0.24 0.11 -0.17 -1.59 0.02 0.00 0.00 176.35 174.96 1ugb s LYS 149 N 0.65 1.77 -0.16 1.70 -2.85 -0.31 -1.84 119.74 118.70 1ugb s LYS 149 Ca -0.09 -1.40 -0.22 0.00 -1.00 0.00 0.00 55.97 53.26 1ugb s LYS 149 Cb -0.16 -1.99 -0.03 0.00 -2.06 0.00 0.00 37.83 33.59 1ugb s LYS 149 CO 0.02 0.42 0.66 0.08 0.10 0.00 0.00 175.35 176.63 1ugb s VAL 150 N -1.68 5.02 0.00 1.79 1.01 -1.26 -1.25 120.40 124.03 1ugb s VAL 150 Ca 0.23 1.28 0.00 0.00 0.00 0.00 0.00 61.98 63.49 1ugb s VAL 150 Cb -0.08 -3.98 0.00 0.00 0.00 0.00 0.00 36.38 32.32 1ugb s VAL 150 CO 0.12 0.15 0.00 0.61 0.00 0.00 0.00 175.10 175.98 1ugb n GLY 151 N 3.55 1.34 3.87 4.51 0.00 0.25 -4.88 105.19 113.83 1ugb n GLY 151 Ca -0.01 0.37 -0.30 0.00 0.00 0.00 0.00 46.02 46.07 1ugb n GLY 151 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ugb s SER 152 N 2.00 6.27 0.47 1.61 1.04 -1.26 -3.92 113.70 119.91 1ugb s SER 152 Ca 0.00 1.34 -0.22 0.00 0.48 0.00 0.00 55.95 57.55 1ugb s SER 152 Cb 0.00 -2.43 -0.07 0.00 0.10 0.00 0.00 66.02 63.61 1ugb s SER 152 CO 0.00 -0.79 1.15 0.00 0.98 0.00 0.00 173.24 174.58 1ugb s ALA 153 N -3.05 2.94 -0.41 5.32 0.00 -1.26 -2.17 121.76 123.12 1ugb s ALA 153 Ca 0.54 0.91 -0.15 0.00 0.00 0.00 0.00 51.96 53.25 1ugb s ALA 153 Cb -0.11 -3.37 0.02 0.00 0.00 0.00 0.00 23.12 19.66 1ugb s ALA 153 CO 0.50 -0.65 0.32 0.21 0.00 0.00 0.00 175.76 176.15 1ugb s LYS 154 N -2.77 2.98 0.23 0.00 2.47 -1.23 -4.81 119.74 116.61 1ugb s LYS 154 Ca 0.64 -1.01 -0.06 0.00 -1.56 0.00 0.00 55.97 53.99 1ugb s LYS 154 Cb -0.28 -3.99 0.38 0.00 -1.46 0.00 0.00 37.83 32.49 1ugb s LYS 154 CO 0.33 -0.78 1.78 -1.35 0.16 0.00 0.00 175.35 175.49 1ugb h PRO 155 N 8.65 0.60 0.00 4.03 0.11 -1.92 -1.68 132.00 141.78 1ugb h PRO 155 Ca -0.27 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1ugb h PRO 155 Cb 1.12 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.09 1ugb h PRO 155 CO 0.75 0.39 0.00 0.41 -0.21 0.00 0.00 178.00 179.34 1ugb n GLY 156 N -1.31 -0.97 0.10 -0.55 0.00 -1.26 -2.50 105.19 98.70 1ugb n GLY 156 Ca 0.12 0.03 0.11 0.00 0.00 0.00 0.00 46.02 46.28 1ugb n GLY 156 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ugb n LEU 157 N -1.82 0.78 -0.35 0.99 7.94 -0.63 -4.50 117.00 119.41 1ugb n LEU 157 Ca 0.02 0.30 0.11 0.00 -1.11 0.00 0.00 56.01 55.33 1ugb n LEU 157 Cb 0.14 -0.04 0.29 0.00 0.53 0.00 0.00 43.42 44.33 1ugb n LEU 157 CO 0.12 -0.15 1.20 -0.61 -1.11 0.00 0.00 177.39 176.84 1ugb h GLN 158 N 0.00 0.79 -0.90 1.96 5.75 -1.53 -1.22 115.11 119.96 1ugb h GLN 158 Ca -0.01 -0.05 0.07 0.00 -0.15 0.00 0.00 58.65 58.51 1ugb h GLN 158 Cb 1.04 -0.18 -0.07 0.00 1.07 0.00 0.00 27.48 29.34 1ugb h GLN 158 CO 0.00 0.52 0.56 0.87 -2.65 0.00 0.00 178.83 178.14 1ugb h LYS 159 N 0.82 0.96 -0.34 1.69 1.57 -1.80 0.32 116.57 119.79 1ugb h LYS 159 Ca 0.55 -0.06 -0.11 0.00 -1.87 0.00 0.00 60.65 59.15 1ugb h LYS 159 Cb 0.76 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 1ugb h LYS 159 CO -0.35 0.64 -0.23 0.28 -0.57 0.00 0.00 179.45 179.21 1ugb h VAL 160 N 0.99 1.29 -0.71 0.50 2.07 -1.53 -3.06 116.25 115.80 1ugb h VAL 160 Ca 0.41 -1.38 -0.03 0.00 0.82 0.00 0.00 66.70 66.51 1ugb h VAL 160 Cb 0.24 1.43 -0.03 0.00 -1.52 0.00 0.00 31.29 31.41 1ugb h VAL 160 CO -0.20 0.45 0.32 0.58 0.02 0.00 0.00 177.57 178.74 1ugb h VAL 161 N 0.54 1.24 -0.52 2.57 2.07 -0.83 -3.05 116.25 118.26 1ugb h VAL 161 Ca 0.07 -0.71 -0.04 0.00 0.82 0.00 0.00 66.70 66.84 1ugb h VAL 161 Cb 0.79 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 1ugb h VAL 161 CO 0.06 0.29 0.16 0.44 0.02 0.00 0.00 177.57 178.54 1ugb h ASP 162 N 1.00 0.72 0.96 0.57 3.32 -0.93 -2.97 116.42 119.09 1ugb h ASP 162 Ca 0.24 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.18 1ugb h ASP 162 Cb 0.16 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.52 1ugb h ASP 162 CO -0.03 0.69 0.00 0.55 -1.72 0.00 0.00 179.24 178.73 1ugb n VAL 163 N -4.30 0.08 0.01 -1.35 3.14 -1.15 -4.13 118.33 110.63 1ugb n VAL 163 Ca 0.04 0.02 0.12 0.00 -2.96 0.00 0.00 64.34 61.56 1ugb n VAL 163 Cb 0.20 -0.54 0.56 0.00 -1.06 0.00 0.00 33.84 33.00 1ugb n VAL 163 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 1ugb h LEU 164 N 0.00 0.22 -1.70 6.55 3.38 -1.53 -1.11 115.31 121.12 1ugb h LEU 164 Ca 0.00 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.03 1ugb h LEU 164 Cb 0.48 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 1ugb h LEU 164 CO 0.00 0.14 0.31 0.44 0.09 0.00 0.00 178.44 179.42 1ugb h ASP 165 N 0.25 0.32 1.17 -0.43 3.32 -1.82 -1.53 116.42 117.71 1ugb h ASP 165 Ca 0.21 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.25 1ugb h ASP 165 Cb 0.49 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 39.97 1ugb h ASP 165 CO -0.04 0.21 -0.01 0.28 -1.72 0.00 0.00 179.24 177.96 1ugb h SER 166 N 0.37 0.00 -0.99 6.45 0.02 -1.50 -3.30 113.55 114.61 1ugb h SER 166 Ca 0.20 0.00 -0.45 0.00 -0.84 0.00 0.00 61.79 60.70 1ugb h SER 166 Cb 0.32 0.00 -0.41 0.00 0.14 0.00 0.00 62.40 62.45 1ugb h SER 166 CO -0.05 0.01 -0.96 2.30 -1.14 0.00 0.00 176.83 177.00 1ugb n ILE 167 N -3.11 1.81 -0.13 3.27 -5.35 -0.59 -4.71 119.36 110.55 1ugb n ILE 167 Ca 0.01 -3.86 0.01 0.00 -0.27 0.00 0.00 62.75 58.64 1ugb n ILE 167 Cb 0.35 -0.20 0.29 0.00 -1.74 0.00 0.00 39.64 38.34 1ugb n ILE 167 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1ugb h LYS 168 N 2.61 0.82 -6.12 6.28 3.64 -1.61 -3.43 116.57 118.76 1ugb h LYS 168 Ca 0.12 -0.07 -0.56 0.00 -1.27 0.00 0.00 60.65 58.87 1ugb h LYS 168 Cb 1.20 -0.18 -0.09 0.00 -0.41 0.00 0.00 32.23 32.75 1ugb h LYS 168 CO 0.60 0.57 -0.60 0.95 -2.27 0.00 0.00 179.45 178.70 1ugb s THR 169 N -5.64 3.08 0.21 1.00 -4.23 -1.26 -0.47 115.64 108.33 1ugb s THR 169 Ca -0.10 -1.86 -0.32 0.00 -1.18 0.00 0.00 61.69 58.23 1ugb s THR 169 Cb 0.17 -2.87 -0.14 0.00 1.34 0.00 0.00 72.50 71.01 1ugb s THR 169 CO 0.77 -0.27 1.40 1.17 -0.54 0.00 0.00 174.62 177.15 1ugb n LYS 170 N -0.99 1.91 0.00 3.99 4.81 0.18 -2.02 118.16 126.04 1ugb n LYS 170 Ca -0.05 0.68 0.00 0.00 -0.87 0.00 0.00 58.31 58.07 1ugb n LYS 170 Cb 0.61 -2.34 0.00 0.00 0.02 0.00 0.00 35.03 33.32 1ugb n LYS 170 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ugb n GLY 171 N 2.36 2.89 3.76 3.14 0.00 25.39 -4.52 105.19 138.21 1ugb n GLY 171 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 1ugb n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ugb s LYS 172 N -0.65 4.59 0.05 1.61 3.01 -0.85 -4.84 119.74 122.66 1ugb s LYS 172 Ca 0.00 1.86 0.00 0.00 -1.01 0.00 0.00 55.97 56.83 1ugb s LYS 172 Cb 0.00 -3.18 -0.03 0.00 -1.01 0.00 0.00 37.83 33.61 1ugb s LYS 172 CO 0.00 0.14 -0.04 -1.54 0.51 0.00 0.00 175.35 174.41 1ugb s SER 173 N -0.74 0.62 0.01 2.83 1.04 -1.26 -0.86 113.70 115.34 1ugb s SER 173 Ca 0.46 -0.82 -0.07 0.00 0.48 0.00 0.00 55.95 56.00 1ugb s SER 173 Cb -0.33 0.13 0.00 0.00 0.10 0.00 0.00 66.02 65.92 1ugb s SER 173 CO 0.42 -0.44 0.14 0.00 0.98 0.00 0.00 173.24 174.34 1ugb s ALA 174 N -2.90 -0.30 0.31 5.32 0.00 -0.05 -4.94 121.76 119.21 1ugb s ALA 174 Ca -0.00 -0.19 -0.29 0.00 0.00 0.00 0.00 51.96 51.47 1ugb s ALA 174 Cb 0.00 0.14 -0.10 0.00 0.00 0.00 0.00 23.12 23.16 1ugb s ALA 174 CO -0.05 -0.23 1.41 -0.51 0.00 0.00 0.00 175.76 176.37 1ugb s ASP 175 N -1.53 6.62 -0.45 0.00 1.01 -1.26 -0.94 116.67 120.11 1ugb s ASP 175 Ca -0.13 2.77 0.06 0.00 0.71 0.00 0.00 52.55 55.97 1ugb s ASP 175 Cb -0.06 -2.64 0.22 0.00 1.01 0.00 0.00 42.92 41.44 1ugb s ASP 175 CO 0.00 -0.69 0.61 0.33 0.21 0.00 0.00 175.17 175.64 1ugb n PHE 176 N 1.34 -1.96 -3.61 4.23 7.35 -0.24 -4.74 117.46 119.83 1ugb n PHE 176 Ca 0.03 -2.60 -0.21 0.00 -0.76 0.00 0.00 57.45 53.91 1ugb n PHE 176 Cb 0.40 0.65 -0.01 0.00 0.35 0.00 0.00 39.48 40.88 1ugb n PHE 176 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1ugb s THR 177 N -0.00 4.70 -1.80 -2.13 -4.23 -1.26 -2.93 115.64 107.99 1ugb s THR 177 Ca 0.33 -0.86 0.00 0.00 -1.18 0.00 0.00 61.69 59.98 1ugb s THR 177 Cb 0.12 -3.67 0.00 0.00 1.34 0.00 0.00 72.50 70.29 1ugb s THR 177 CO -0.16 -0.31 0.00 0.59 -0.54 0.00 0.00 174.62 174.21 1ugb n ASN 178 N -1.62 -5.85 -4.75 3.99 4.13 -1.26 -4.97 115.26 104.93 1ugb n ASN 178 Ca -0.04 0.02 -0.37 0.00 1.68 0.00 0.00 54.58 55.86 1ugb n ASN 178 Cb 0.57 -4.88 -0.06 0.00 -1.54 0.00 0.00 39.78 33.86 1ugb n ASN 178 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 1ugb s PHE 179 N -3.01 3.54 -0.39 3.10 5.36 -1.26 -5.04 117.98 120.28 1ugb s PHE 179 Ca 0.00 0.79 -0.13 0.00 -0.96 0.00 0.00 56.93 56.62 1ugb s PHE 179 Cb 0.00 -2.40 0.02 0.00 -0.34 0.00 0.00 43.02 40.30 1ugb s PHE 179 CO 0.00 0.31 0.26 0.34 -1.46 0.00 0.00 175.22 174.67 1ugb s ASP 180 N 0.16 5.97 0.06 6.13 -1.08 -1.26 -4.52 116.67 122.13 1ugb s ASP 180 Ca 0.21 -0.85 0.14 0.00 -0.52 0.00 0.00 52.55 51.53 1ugb s ASP 180 Cb -0.15 -2.11 0.60 0.00 -1.46 0.00 0.00 42.92 39.80 1ugb s ASP 180 CO 0.08 -0.39 1.43 -0.81 0.52 0.00 0.00 175.17 176.00 1ugb n PRO 181 N 5.10 0.04 0.27 4.34 -0.04 -1.26 -2.70 135.00 140.75 1ugb n PRO 181 Ca -0.12 0.34 0.14 0.00 -0.04 0.00 0.00 63.50 63.83 1ugb n PRO 181 Cb 0.47 -1.59 0.77 0.00 -0.04 0.00 0.00 33.50 33.12 1ugb n PRO 181 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ugb h ARG 182 N 0.00 0.00 0.00 0.54 3.08 -1.93 -2.08 114.38 113.99 1ugb h ARG 182 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1ugb h ARG 182 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.26 1ugb h ARG 182 CO 0.00 0.09 0.00 0.41 -1.07 0.00 0.00 179.97 179.40 1ugb n GLY 183 N -0.65 -0.79 0.38 0.04 0.00 -1.10 -2.56 105.19 100.50 1ugb n GLY 183 Ca -0.02 -0.11 0.06 0.00 0.00 0.00 0.00 46.02 45.96 1ugb n GLY 183 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ugb n LEU 184 N -0.84 1.66 -4.77 0.99 4.77 -0.78 -4.31 117.00 113.72 1ugb n LEU 184 Ca 0.13 -0.87 -0.39 0.00 -0.03 0.00 0.00 56.01 54.85 1ugb n LEU 184 Cb 0.06 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.09 1ugb n LEU 184 CO 0.10 0.32 0.41 -0.76 -1.33 0.00 0.00 177.39 176.13 1ugb s LEU 185 N -1.45 4.52 1.02 2.23 1.43 -1.06 -4.94 118.68 120.42 1ugb s LEU 185 Ca 0.12 1.46 -0.14 0.00 -1.03 0.00 0.00 54.13 54.53 1ugb s LEU 185 Cb 0.10 -3.15 0.20 0.00 0.03 0.00 0.00 46.19 43.37 1ugb s LEU 185 CO 0.24 0.16 1.14 -2.16 0.23 0.00 0.00 176.35 175.95 1ugb s PRO 186 N -0.72 0.28 0.09 1.29 0.04 -1.26 -4.97 135.00 129.74 1ugb s PRO 186 Ca 0.35 0.18 -0.18 0.00 0.04 0.00 0.00 61.00 61.38 1ugb s PRO 186 Cb -0.21 -1.75 -0.08 0.00 0.04 0.00 0.00 34.50 32.50 1ugb s PRO 186 CO 0.23 -2.76 1.53 1.49 0.04 0.00 0.00 177.00 177.52 1ugb h GLU 187 N -1.90 0.44 -6.28 4.56 4.81 -1.93 -3.44 114.58 110.84 1ugb h GLU 187 Ca -0.50 -0.14 -0.55 0.00 -0.13 0.00 0.00 59.36 58.05 1ugb h GLU 187 Cb 1.31 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.63 1ugb h GLU 187 CO 0.52 0.61 -0.26 0.45 -0.73 0.00 0.00 179.01 179.59 1ugb s SER 188 N -5.94 6.46 -0.12 1.04 0.15 -1.26 -5.02 113.70 109.01 1ugb s SER 188 Ca -0.14 0.58 0.16 0.00 0.70 0.00 0.00 55.95 57.26 1ugb s SER 188 Cb 0.07 -2.09 0.33 0.00 -1.71 0.00 0.00 66.02 62.63 1ugb s SER 188 CO 0.75 -0.05 1.22 0.18 1.20 0.00 0.00 173.24 176.54 1ugb n LEU 189 N -0.42 2.81 -4.76 3.45 4.77 -1.26 -4.78 117.00 116.81 1ugb n LEU 189 Ca -0.03 -2.88 -0.38 0.00 -0.03 0.00 0.00 56.01 52.70 1ugb n LEU 189 Cb 0.53 -0.40 0.01 0.00 -2.33 0.00 0.00 43.42 41.23 1ugb n LEU 189 CO 0.48 0.68 0.90 -1.81 -1.33 0.00 0.00 177.39 176.31 1ugb s ASP 190 N -2.27 5.76 0.24 -1.43 1.01 -1.26 -4.77 116.67 113.95 1ugb s ASP 190 Ca 0.31 2.52 -0.15 0.00 0.71 0.00 0.00 52.55 55.95 1ugb s ASP 190 Cb 0.26 -2.62 0.00 0.00 1.01 0.00 0.00 42.92 41.57 1ugb s ASP 190 CO 0.05 -1.21 0.52 -0.72 0.21 0.00 0.00 175.17 174.01 1ugb s TYR 191 N -1.43 0.19 0.12 4.23 -0.85 -1.26 -1.82 117.35 116.53 1ugb s TYR 191 Ca 0.67 -0.56 0.08 0.00 -0.52 0.00 0.00 57.07 56.74 1ugb s TYR 191 Cb -0.34 0.30 -0.04 0.00 0.38 0.00 0.00 41.96 42.26 1ugb s TYR 191 CO 0.41 -1.01 -0.13 -1.58 -1.52 0.00 0.00 175.55 171.72 1ugb s TRP 192 N -3.97 2.64 -0.08 -3.49 0.51 -0.06 -1.01 118.94 113.49 1ugb s TRP 192 Ca 0.18 -0.21 -0.08 0.00 -2.12 0.00 0.00 56.10 53.88 1ugb s TRP 192 Cb -0.01 -1.38 0.02 0.00 -0.81 0.00 0.00 33.47 31.29 1ugb s TRP 192 CO 0.06 0.42 0.22 -0.08 -0.51 0.00 0.00 176.95 177.06 1ugb s THR 193 N -1.26 0.00 0.09 2.01 -1.32 -0.10 -1.01 115.64 114.05 1ugb s THR 193 Ca 0.21 -0.02 -0.22 0.00 -1.21 0.00 0.00 61.69 60.44 1ugb s THR 193 Cb -0.11 -0.32 0.06 0.00 -1.51 0.00 0.00 72.50 70.63 1ugb s THR 193 CO 0.13 -0.01 0.54 -0.72 -2.21 0.00 0.00 174.62 172.34 1ugb s TYR 194 N 0.06 -0.44 -0.02 9.09 1.13 -1.15 -1.40 117.35 124.62 1ugb s TYR 194 Ca -0.01 0.37 -0.27 0.00 -1.41 0.00 0.00 57.07 55.75 1ugb s TYR 194 Cb -0.02 0.40 -0.04 0.00 -1.10 0.00 0.00 41.96 41.21 1ugb s TYR 194 CO 0.00 -0.72 0.85 -1.25 -2.51 0.00 0.00 175.55 171.93 1ugb s PRO 195 N -3.02 4.51 0.00 -3.49 0.04 -1.26 -1.71 135.00 130.08 1ugb s PRO 195 Ca -0.02 1.18 0.00 0.00 0.04 0.00 0.00 61.00 62.20 1ugb s PRO 195 Cb -0.00 -3.45 0.00 0.00 0.04 0.00 0.00 34.50 31.09 1ugb s PRO 195 CO -0.06 0.03 0.00 0.41 0.04 0.00 0.00 177.00 177.41 1ugb n GLY 196 N 2.93 4.60 3.36 0.56 0.00 0.78 -4.85 105.19 112.57 1ugb n GLY 196 Ca 0.02 -0.61 -0.17 0.00 0.00 0.00 0.00 46.02 45.26 1ugb n GLY 196 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ugb s SER 197 N 1.51 1.26 0.47 1.61 1.04 -1.15 -2.30 113.70 116.14 1ugb s SER 197 Ca 0.00 -1.62 -0.22 0.00 0.48 0.00 0.00 55.95 54.59 1ugb s SER 197 Cb 0.00 0.58 -0.08 0.00 0.10 0.00 0.00 66.02 66.63 1ugb s SER 197 CO 0.00 -1.14 1.11 -0.76 0.98 0.00 0.00 173.24 173.43 1ugb s LEU 198 N -3.30 3.95 0.00 2.42 1.43 -0.86 -4.55 118.68 117.78 1ugb s LEU 198 Ca 0.37 2.15 0.26 0.00 -1.03 0.00 0.00 54.13 55.88 1ugb s LEU 198 Cb 0.02 -4.36 0.66 0.00 0.03 0.00 0.00 46.19 42.54 1ugb s LEU 198 CO 0.24 -0.86 1.53 0.35 0.23 0.00 0.00 176.35 177.83 1ugb n THR 199 N -0.66 0.00 -4.33 5.49 -2.24 -1.26 -4.46 114.28 106.81 1ugb n THR 199 Ca 0.08 -0.36 -0.24 0.00 -2.27 0.00 0.00 64.05 61.27 1ugb n THR 199 Cb 0.50 0.94 -0.12 0.00 -2.10 0.00 0.00 70.33 69.55 1ugb n THR 199 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1ugb s THR 200 N -2.01 1.89 0.57 4.28 -4.23 -1.26 -4.74 115.64 110.14 1ugb s THR 200 Ca 0.33 -1.81 -0.19 0.00 -1.18 0.00 0.00 61.69 58.85 1ugb s THR 200 Cb 0.21 -1.80 -0.07 0.00 1.34 0.00 0.00 72.50 72.17 1ugb s THR 200 CO 0.32 -0.18 0.79 -2.65 -0.54 0.00 0.00 174.62 172.36 1ugb n PRO 201 N 0.57 0.78 0.00 3.99 -0.02 -1.26 -0.77 135.00 138.29 1ugb n PRO 201 Ca -0.15 0.30 0.07 0.00 -2.02 0.00 0.00 63.50 61.70 1ugb n PRO 201 Cb 0.56 -1.96 0.42 0.00 -0.02 0.00 0.00 33.50 32.49 1ugb n PRO 201 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1ugb n PRO 202 N -0.51 0.53 -3.11 0.52 -0.04 -1.26 -5.00 135.00 126.14 1ugb n PRO 202 Ca 0.12 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.36 1ugb n PRO 202 Cb 0.46 -1.41 0.02 0.00 -0.04 0.00 0.00 33.50 32.53 1ugb n PRO 202 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1ugb n LEU 203 N -0.91 -2.26 -4.76 1.53 4.77 0.05 -4.91 117.00 110.50 1ugb n LEU 203 Ca 0.11 -0.30 -0.41 0.00 -0.03 0.00 0.00 56.01 55.38 1ugb n LEU 203 Cb 0.05 -2.67 -0.02 0.00 -2.33 0.00 0.00 43.42 38.45 1ugb n LEU 203 CO 0.08 0.19 1.05 -0.76 -1.33 0.00 0.00 177.39 176.62 1ugb s LEU 204 N -6.58 4.39 -1.34 2.23 1.43 -1.26 -4.43 118.68 113.11 1ugb s LEU 204 Ca 0.32 2.76 -0.10 0.00 -1.03 0.00 0.00 54.13 56.07 1ugb s LEU 204 Cb -0.15 -3.64 0.12 0.00 0.03 0.00 0.00 46.19 42.54 1ugb s LEU 204 CO 0.40 -0.66 2.04 -0.62 0.23 0.00 0.00 176.35 177.74 1ugb n GLU 205 N 1.25 3.46 -0.16 1.70 1.02 -1.26 -2.02 120.64 124.64 1ugb n GLU 205 Ca 0.02 -3.22 0.04 0.00 -0.02 0.00 0.00 57.16 53.98 1ugb n GLU 205 Cb 0.41 -3.01 0.05 0.00 -0.02 0.00 0.00 31.44 28.87 1ugb n GLU 205 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ugb s VAL 207 N -1.25 3.37 -0.36 0.00 1.01 -0.97 -0.87 120.40 121.32 1ugb s VAL 207 Ca 0.11 -0.59 -0.10 0.00 0.00 0.00 0.00 61.98 61.40 1ugb s VAL 207 Cb 0.10 -2.37 0.03 0.00 0.00 0.00 0.00 36.38 34.13 1ugb s VAL 207 CO 0.01 0.57 0.19 -0.89 0.00 0.00 0.00 175.10 174.98 1ugb s THR 208 N -0.45 4.47 0.09 3.92 2.01 -0.42 -0.16 115.64 125.10 1ugb s THR 208 Ca 0.06 -0.86 -0.24 0.00 0.31 0.00 0.00 61.69 60.96 1ugb s THR 208 Cb -0.12 -3.48 -0.06 0.00 0.01 0.00 0.00 72.50 68.84 1ugb s THR 208 CO 0.02 -0.20 0.75 0.26 -0.69 0.00 0.00 174.62 174.75 1ugb s TRP 209 N 1.54 3.80 -0.34 4.92 0.52 -0.69 -1.93 118.94 126.76 1ugb s TRP 209 Ca 0.02 1.50 0.01 0.00 0.02 0.00 0.00 56.10 57.65 1ugb s TRP 209 Cb -0.19 -2.77 0.11 0.00 -1.15 0.00 0.00 33.47 29.47 1ugb s TRP 209 CO 0.06 0.39 0.11 0.42 0.02 0.00 0.00 176.95 177.95 1ugb s ILE 210 N -0.54 1.39 -0.28 2.03 1.01 -0.45 -2.91 121.20 121.45 1ugb s ILE 210 Ca 0.36 -1.87 -0.11 0.00 0.00 0.00 0.00 60.65 59.03 1ugb s ILE 210 Cb -0.21 -2.03 -0.05 0.00 0.01 0.00 0.00 42.46 40.18 1ugb s ILE 210 CO 0.24 -0.69 0.21 -0.69 0.00 0.00 0.00 174.94 174.00 1ugb s VAL 211 N 1.19 5.30 0.15 2.92 1.01 -0.18 -0.67 120.40 130.12 1ugb s VAL 211 Ca 0.11 0.21 -0.30 0.00 0.00 0.00 0.00 61.98 62.00 1ugb s VAL 211 Cb -0.19 -3.55 -0.07 0.00 0.00 0.00 0.00 36.38 32.58 1ugb s VAL 211 CO -0.16 0.24 1.08 -0.76 0.00 0.00 0.00 175.10 175.49 1ugb s LEU 212 N 1.79 4.48 0.16 3.92 1.43 -0.51 -0.88 118.68 129.06 1ugb s LEU 212 Ca 0.08 2.00 -0.12 0.00 -1.03 0.00 0.00 54.13 55.06 1ugb s LEU 212 Cb -0.16 -3.60 0.04 0.00 0.03 0.00 0.00 46.19 42.50 1ugb s LEU 212 CO 0.11 -0.21 1.64 0.50 0.23 0.00 0.00 176.35 178.61 1ugb h LYS 213 N 5.44 0.88 -5.86 1.70 3.64 -1.70 -3.43 116.57 117.23 1ugb h LYS 213 Ca -0.44 -0.25 -0.59 0.00 -1.27 0.00 0.00 60.65 58.11 1ugb h LYS 213 Cb 1.21 -0.10 -0.08 0.00 -0.41 0.00 0.00 32.23 32.86 1ugb h LYS 213 CO 0.73 0.87 0.41 -2.00 -2.27 0.00 0.00 179.45 177.20 1ugb s GLU 214 N -5.16 4.25 0.53 1.90 2.12 -1.26 -5.02 118.70 116.05 1ugb s GLU 214 Ca -0.12 0.97 -0.10 0.00 0.36 0.00 0.00 54.97 56.07 1ugb s GLU 214 Cb 0.12 -3.60 -0.05 0.00 0.26 0.00 0.00 34.13 30.86 1ugb s GLU 214 CO 0.82 -0.40 0.91 -2.14 -0.54 0.00 0.00 175.26 173.90 1ugb s PRO 215 N 2.42 3.67 0.15 4.30 0.02 -1.26 -4.67 135.00 139.63 1ugb s PRO 215 Ca 0.36 0.58 0.03 0.00 0.02 0.00 0.00 61.00 62.00 1ugb s PRO 215 Cb -0.16 -2.22 -0.04 0.00 0.02 0.00 0.00 34.50 32.10 1ugb s PRO 215 CO 0.10 -0.33 0.21 0.96 -0.33 0.00 0.00 177.00 177.61 1ugb s ILE 216 N -2.84 4.96 -0.06 2.83 -4.36 0.05 -4.94 121.20 116.85 1ugb s ILE 216 Ca 0.53 -0.84 -0.03 0.00 -0.26 0.00 0.00 60.65 60.04 1ugb s ILE 216 Cb -0.11 -3.54 -0.04 0.00 1.25 0.00 0.00 42.46 40.03 1ugb s ILE 216 CO 0.44 -0.08 0.12 -0.44 0.24 0.00 0.00 174.94 175.21 1ugb s SER 217 N -3.13 6.03 0.07 4.36 0.01 -1.26 -1.16 113.70 118.62 1ugb s SER 217 Ca 0.33 0.31 0.02 0.00 1.31 0.00 0.00 55.95 57.92 1ugb s SER 217 Cb -0.11 -1.85 -0.03 0.00 0.21 0.00 0.00 66.02 64.24 1ugb s SER 217 CO 0.26 0.33 -0.08 0.68 0.41 0.00 0.00 173.24 174.85 1ugb s VAL 218 N -1.12 0.68 0.54 3.43 -7.23 -0.38 -3.54 120.40 112.77 1ugb s VAL 218 Ca 0.20 -1.49 -0.14 0.00 -1.81 0.00 0.00 61.98 58.73 1ugb s VAL 218 Cb -0.12 -1.14 -0.07 0.00 0.56 0.00 0.00 36.38 35.62 1ugb s VAL 218 CO 0.10 -0.58 0.98 -0.94 -0.31 0.00 0.00 175.10 174.35 1ugb s SER 219 N -2.26 6.50 0.48 4.85 1.04 -1.13 -0.58 113.70 122.59 1ugb s SER 219 Ca 0.01 1.49 0.14 0.00 0.48 0.00 0.00 55.95 58.07 1ugb s SER 219 Cb -0.03 -2.48 1.14 0.00 0.10 0.00 0.00 66.02 64.75 1ugb s SER 219 CO -0.01 -0.66 2.09 0.77 0.98 0.00 0.00 173.24 176.41 1ugb h SER 220 N 0.56 0.05 -0.14 7.02 4.64 -1.93 -0.70 113.55 123.05 1ugb h SER 220 Ca -0.46 -0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.77 1ugb h SER 220 Cb 1.19 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 63.25 1ugb h SER 220 CO 0.62 0.10 -0.17 -0.33 -0.87 0.00 0.00 176.83 176.17 1ugb h GLU 221 N 0.06 0.54 0.02 4.77 3.07 -1.96 0.66 114.58 121.75 1ugb h GLU 221 Ca 0.02 -0.18 -0.00 0.00 -0.50 0.00 0.00 59.36 58.70 1ugb h GLU 221 Cb 0.10 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 27.96 1ugb h GLU 221 CO 0.00 0.69 -0.01 1.96 -1.40 0.00 0.00 179.01 180.25 1ugb h GLN 222 N 0.49 -0.03 0.00 2.33 4.20 -1.52 -3.07 115.11 117.52 1ugb h GLN 222 Ca 0.08 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.73 1ugb h GLN 222 Cb 0.58 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.36 1ugb h GLN 222 CO 0.04 0.40 -0.31 0.28 -0.67 0.00 0.00 178.83 178.57 1ugb h VAL 223 N -0.46 1.16 -0.91 -0.54 2.07 -1.30 -2.70 116.25 113.56 1ugb h VAL 223 Ca -0.00 -1.10 0.06 0.00 0.82 0.00 0.00 66.70 66.47 1ugb h VAL 223 Cb 0.44 1.61 -0.06 0.00 -1.52 0.00 0.00 31.29 31.75 1ugb h VAL 223 CO 0.00 0.31 0.57 -0.07 0.02 0.00 0.00 177.57 178.41 1ugb h LEU 224 N 0.00 0.91 -1.65 2.57 3.38 -0.83 -1.89 115.31 117.80 1ugb h LEU 224 Ca -0.00 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 1ugb h LEU 224 Cb 0.58 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1ugb h LEU 224 CO 0.04 0.59 -0.19 0.11 0.09 0.00 0.00 178.44 179.08 1ugb h LYS 225 N 1.05 0.00 -0.40 1.13 1.57 -1.38 -2.18 116.57 116.36 1ugb h LYS 225 Ca 0.39 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.16 1ugb h LYS 225 Cb 0.16 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 1ugb h LYS 225 CO -0.17 0.19 0.19 0.74 -0.57 0.00 0.00 179.45 179.83 1ugb h PHE 226 N 0.00 0.58 0.00 -1.35 -1.00 -1.39 -2.76 116.94 111.02 1ugb h PHE 226 Ca -0.00 -0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.75 1ugb h PHE 226 Cb 0.34 -0.18 0.00 0.00 3.61 0.00 0.00 35.95 39.72 1ugb h PHE 226 CO 0.00 0.49 0.00 0.54 -1.61 0.00 0.00 178.31 177.73 1ugb n ARG 227 N -4.68 0.12 0.00 1.51 1.74 -0.82 -2.45 116.66 112.08 1ugb n ARG 227 Ca 0.00 0.21 0.12 0.00 -0.77 0.00 0.00 57.85 57.41 1ugb n ARG 227 Cb 0.11 -1.50 0.27 0.00 -1.02 0.00 0.00 32.46 30.32 1ugb n ARG 227 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1ugb n LYS 228 N -1.30 1.27 -1.34 5.56 5.02 -1.04 -4.48 118.16 121.86 1ugb n LYS 228 Ca 0.04 -0.89 -0.29 0.00 -2.02 0.00 0.00 58.31 55.15 1ugb n LYS 228 Cb 0.08 -1.48 0.14 0.00 -0.02 0.00 0.00 35.03 33.74 1ugb n LYS 228 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1ugb s LEU 229 N -2.34 2.14 0.05 -0.35 1.43 -1.02 -4.88 118.68 113.71 1ugb s LEU 229 Ca 0.26 1.28 0.09 0.00 -1.03 0.00 0.00 54.13 54.73 1ugb s LEU 229 Cb 0.19 -3.68 -0.03 0.00 0.03 0.00 0.00 46.19 42.71 1ugb s LEU 229 CO 0.47 -2.58 -0.24 0.20 0.23 0.00 0.00 176.35 174.43 1ugb s ASN 230 N -3.65 2.91 0.09 2.29 0.02 0.38 -0.91 114.94 116.08 1ugb s ASN 230 Ca 0.63 -0.58 -0.05 0.00 -1.02 0.00 0.00 52.86 51.85 1ugb s ASN 230 Cb -0.17 -0.25 -0.21 0.00 0.02 0.00 0.00 41.25 40.64 1ugb s ASN 230 CO 0.56 0.21 1.20 -0.26 0.02 0.00 0.00 177.10 178.83 1ugb h PHE 231 N 4.74 0.55 -4.32 2.20 0.04 -1.31 -3.36 116.94 115.48 1ugb h PHE 231 Ca -0.45 -0.36 -0.49 0.00 2.80 0.00 0.00 57.97 59.46 1ugb h PHE 231 Cb 1.15 -0.04 0.11 0.00 2.20 0.00 0.00 35.95 39.37 1ugb h PHE 231 CO 0.50 1.24 0.35 0.54 -0.60 0.00 0.00 178.31 180.34 1ugb s ASN 232 N -7.14 4.72 0.57 2.17 4.22 -1.26 -4.41 114.94 113.82 1ugb s ASN 232 Ca -0.05 1.33 -0.04 0.00 -2.14 0.00 0.00 52.86 51.97 1ugb s ASN 232 Cb 0.08 -2.10 0.02 0.00 1.28 0.00 0.00 41.25 40.53 1ugb s ASN 232 CO 0.88 -1.82 0.86 -0.83 -2.04 0.00 0.00 177.10 174.14 1ugb s GLY 233 N -3.94 1.64 0.52 0.45 0.00 -1.26 -0.86 107.32 103.86 1ugb s GLY 233 Ca 0.60 -0.88 -0.22 0.00 0.00 0.00 0.00 44.72 44.22 1ugb s GLY 233 CO 0.54 -0.60 1.15 -2.21 0.00 0.00 0.00 173.10 171.98 1ugb n GLU 234 N -2.50 1.42 -1.00 2.90 2.13 -1.26 -2.29 120.64 120.03 1ugb n GLU 234 Ca 0.05 0.52 -0.00 0.00 0.66 0.00 0.00 57.16 58.39 1ugb n GLU 234 Cb 0.58 -2.31 -0.00 0.00 0.27 0.00 0.00 31.44 29.98 1ugb n GLU 234 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1ugb n GLY 235 N 1.01 0.33 3.73 8.31 0.00 -1.26 -5.00 105.19 112.31 1ugb n GLY 235 Ca 0.11 -0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.88 1ugb n GLY 235 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ugb s GLU 236 N -0.71 2.25 0.25 1.61 2.02 -0.97 -5.08 118.70 118.08 1ugb s GLU 236 Ca 0.00 -1.75 -0.31 0.00 0.02 0.00 0.00 54.97 52.94 1ugb s GLU 236 Cb 0.00 -2.04 -0.12 0.00 0.10 0.00 0.00 34.13 32.08 1ugb s GLU 236 CO 0.00 -0.03 1.66 -2.14 0.02 0.00 0.00 175.26 174.77 1ugb s PRO 237 N -3.87 4.12 0.07 0.39 0.02 -1.26 -4.91 135.00 129.56 1ugb s PRO 237 Ca 0.40 2.59 -0.31 0.00 0.02 0.00 0.00 61.00 63.70 1ugb s PRO 237 Cb 0.01 -3.05 -0.08 0.00 0.02 0.00 0.00 34.50 31.41 1ugb s PRO 237 CO 0.22 -0.69 1.55 -2.00 -0.33 0.00 0.00 177.00 175.75 1ugb s GLU 238 N 0.30 4.23 -0.21 5.54 2.12 -1.26 -4.77 118.70 124.65 1ugb s GLU 238 Ca 0.69 2.22 -0.02 0.00 0.36 0.00 0.00 54.97 58.22 1ugb s GLU 238 Cb -0.49 -3.49 0.06 0.00 0.26 0.00 0.00 34.13 30.47 1ugb s GLU 238 CO 0.40 -0.64 0.01 -2.00 -0.54 0.00 0.00 175.26 172.49 1ugb s GLU 239 N 2.20 1.00 0.32 4.30 2.12 -1.26 -5.06 118.70 122.31 1ugb s GLU 239 Ca 0.70 -0.64 -0.29 0.00 0.36 0.00 0.00 54.97 55.09 1ugb s GLU 239 Cb -0.38 -2.28 -0.10 0.00 0.26 0.00 0.00 34.13 31.63 1ugb s GLU 239 CO 0.30 -0.64 1.30 -0.51 -0.54 0.00 0.00 175.26 175.18 1ugb s LEU 240 N 1.69 4.43 -0.91 2.70 1.43 -1.26 -0.96 118.68 125.80 1ugb s LEU 240 Ca -0.02 2.65 -0.23 0.00 -1.03 0.00 0.00 54.13 55.50 1ugb s LEU 240 Cb -0.18 -3.64 0.06 0.00 0.03 0.00 0.00 46.19 42.46 1ugb s LEU 240 CO -0.08 -0.52 1.31 -0.32 0.23 0.00 0.00 176.35 176.97 1ugb s MET 241 N -1.60 3.46 0.03 1.70 -2.45 -0.08 -4.64 119.30 115.72 1ugb s MET 241 Ca 0.50 -1.01 -0.00 0.00 -1.25 0.00 0.00 55.69 53.93 1ugb s MET 241 Cb -0.39 -4.92 -0.03 0.00 1.25 0.00 0.00 34.83 30.74 1ugb s MET 241 CO 0.51 -2.09 -0.03 0.14 1.05 0.00 0.00 175.02 174.60 1ugb s VAL 242 N 4.68 0.17 -1.32 10.11 -7.23 -1.26 -4.52 120.40 121.03 1ugb s VAL 242 Ca 0.39 -1.28 -0.05 0.00 -1.81 0.00 0.00 61.98 59.23 1ugb s VAL 242 Cb -0.04 -0.79 0.01 0.00 0.56 0.00 0.00 36.38 36.13 1ugb s VAL 242 CO -0.03 -0.70 1.03 0.47 -0.31 0.00 0.00 175.10 175.57 1ugb n ASP 243 N 0.98 -3.94 -2.65 4.85 8.00 -0.32 -4.85 116.55 118.63 1ugb n ASP 243 Ca -0.20 -0.64 -0.29 0.00 0.71 0.00 0.00 54.79 54.38 1ugb n ASP 243 Cb 0.57 -4.80 -0.05 0.00 -0.02 0.00 0.00 41.12 36.82 1ugb n ASP 243 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1ugb n ASN 244 N -3.04 6.71 -4.27 -2.24 6.94 -1.08 -4.91 115.26 113.38 1ugb n ASN 244 Ca -0.14 -3.19 -0.25 0.00 -0.02 0.00 0.00 54.58 50.98 1ugb n ASN 244 Cb 0.61 -1.26 -0.14 0.00 -2.36 0.00 0.00 39.78 36.64 1ugb n ASN 244 CO 0.00 0.00 0.00 -1.66 -1.03 0.00 0.00 177.26 174.57 1ugb s TRP 245 N -1.59 1.84 -0.08 -2.53 1.48 -1.26 -4.62 118.94 112.17 1ugb s TRP 245 Ca 0.58 -0.39 -0.11 0.00 -1.06 0.00 0.00 56.10 55.12 1ugb s TRP 245 Cb 0.35 -1.06 -0.05 0.00 -1.16 0.00 0.00 33.47 31.55 1ugb s TRP 245 CO -0.20 0.14 0.27 0.50 -4.06 0.00 0.00 176.95 173.59 1ugb s ARG 246 N -1.44 3.76 0.79 3.25 3.52 -1.26 -4.98 118.95 122.59 1ugb s ARG 246 Ca 0.07 0.11 -0.11 0.00 -0.13 0.00 0.00 55.73 55.67 1ugb s ARG 246 Cb -0.09 -3.24 0.06 0.00 -1.56 0.00 0.00 34.95 30.12 1ugb s ARG 246 CO 0.03 0.66 1.10 -1.25 -0.81 0.00 0.00 175.30 175.02 1ugb s PRO 247 N -0.80 2.15 0.31 5.12 0.04 -1.26 -4.69 135.00 135.87 1ugb s PRO 247 Ca 0.18 0.61 -0.29 0.00 0.04 0.00 0.00 61.00 61.54 1ugb s PRO 247 Cb -0.14 -1.93 -0.13 0.00 0.04 0.00 0.00 34.50 32.35 1ugb s PRO 247 CO 0.07 -1.56 1.32 0.00 0.04 0.00 0.00 177.00 176.87 1ugb n ALA 248 N -3.39 1.22 -2.66 8.56 0.00 -1.26 -4.40 120.51 118.59 1ugb n ALA 248 Ca 0.07 0.38 -0.22 0.00 0.00 0.00 0.00 53.44 53.67 1ugb n ALA 248 Cb 0.56 -2.26 -0.05 0.00 0.00 0.00 0.00 19.45 17.71 1ugb n ALA 248 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1ugb s GLN 249 N -1.40 2.66 0.31 0.00 -1.52 0.65 -4.95 119.66 115.41 1ugb s GLN 249 Ca 0.59 -1.27 -0.29 0.00 -1.95 0.00 0.00 55.36 52.44 1ugb s GLN 249 Cb -0.59 -2.40 -0.11 0.00 -0.22 0.00 0.00 33.01 29.69 1ugb s GLN 249 CO 0.58 0.27 1.51 -2.14 -0.25 0.00 0.00 175.29 175.26 1ugb s PRO 250 N -3.85 4.17 0.25 2.91 0.02 -1.26 -4.57 135.00 132.67 1ugb s PRO 250 Ca 0.35 2.49 0.05 0.00 0.02 0.00 0.00 61.00 63.92 1ugb s PRO 250 Cb -0.06 -3.03 0.30 0.00 0.02 0.00 0.00 34.50 31.73 1ugb s PRO 250 CO 0.24 -0.53 1.59 1.25 -0.33 0.00 0.00 177.00 179.23 1ugb h LEU 251 N 4.28 0.24 0.00 -5.54 5.85 -1.95 -3.44 115.31 114.75 1ugb h LEU 251 Ca -0.48 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.11 1ugb h LEU 251 Cb 1.23 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.19 1ugb h LEU 251 CO 0.74 0.75 0.00 0.29 -0.34 0.00 0.00 178.44 179.88 1ugb n LYS 252 N -3.90 0.00 -1.16 1.25 5.02 -1.26 -3.05 118.16 115.06 1ugb n LYS 252 Ca -0.02 0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 56.06 1ugb n LYS 252 Cb 0.59 0.00 -0.12 0.00 -0.02 0.00 0.00 35.03 35.48 1ugb n LYS 252 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1ugb n ASN 253 N 2.00 6.28 -4.09 4.39 4.13 -1.26 -4.89 115.26 121.83 1ugb n ASN 253 Ca 0.00 -2.60 -0.15 0.00 1.68 0.00 0.00 54.58 53.50 1ugb n ASN 253 Cb 0.00 -1.43 -0.12 0.00 -1.54 0.00 0.00 39.78 36.69 1ugb n ASN 253 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 1ugb s ARG 254 N 0.89 0.63 -0.07 3.52 0.52 -1.17 -5.13 118.95 118.14 1ugb s ARG 254 Ca 0.66 -0.76 0.05 0.00 -0.52 0.00 0.00 55.73 55.16 1ugb s ARG 254 Cb 0.29 -0.50 -0.00 0.00 0.52 0.00 0.00 34.95 35.26 1ugb s ARG 254 CO -0.04 0.11 -0.22 1.14 0.02 0.00 0.00 175.30 176.31 1ugb s GLN 255 N -1.47 2.47 -0.06 3.54 -2.07 -1.26 -5.02 119.66 115.78 1ugb s GLN 255 Ca -0.06 -0.78 -0.18 0.00 -1.82 0.00 0.00 55.36 52.52 1ugb s GLN 255 Cb -0.09 -2.00 -0.05 0.00 -1.09 0.00 0.00 33.01 29.78 1ugb s GLN 255 CO 0.01 0.25 0.49 0.42 -1.32 0.00 0.00 175.29 175.14 1ugb s ILE 256 N 0.13 5.08 0.03 3.63 1.01 -1.26 -4.74 121.20 125.08 1ugb s ILE 256 Ca -0.10 1.01 0.04 0.00 0.00 0.00 0.00 60.65 61.60 1ugb s ILE 256 Cb -0.15 -3.83 -0.03 0.00 0.01 0.00 0.00 42.46 38.46 1ugb s ILE 256 CO 0.05 0.40 -0.08 -0.54 0.00 0.00 0.00 174.94 174.77 1ugb s LYS 257 N 0.06 2.44 0.02 2.79 1.02 -0.49 -1.33 119.74 124.25 1ugb s LYS 257 Ca 0.27 -0.80 0.04 0.00 0.02 0.00 0.00 55.97 55.51 1ugb s LYS 257 Cb -0.16 -2.44 -0.03 0.00 -0.52 0.00 0.00 37.83 34.67 1ugb s LYS 257 CO 0.13 0.58 -0.09 0.00 -0.92 0.00 0.00 175.35 175.04 1ugb s ALA 258 N -1.03 2.93 -2.04 5.17 0.00 -0.12 -0.92 121.76 125.74 1ugb s ALA 258 Ca 0.18 -1.08 0.27 0.00 0.00 0.00 0.00 51.96 51.32 1ugb s ALA 258 Cb -0.11 -1.03 0.78 0.00 0.00 0.00 0.00 23.12 22.76 1ugb s ALA 258 CO 0.09 0.61 1.58 -1.13 0.00 0.00 0.00 175.76 176.91 1ugb n SER 259 N 1.43 1.30 -4.24 0.00 3.41 -0.18 -1.14 113.62 114.21 1ugb n SER 259 Ca -0.15 -1.15 -0.13 0.00 -0.26 0.00 0.00 58.87 57.17 1ugb n SER 259 Cb 0.52 0.11 -0.10 0.00 -0.26 0.00 0.00 64.21 64.48 1ugb n SER 259 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1ugb s PHE 260 N -2.33 1.21 -1.35 7.33 -0.71 -1.26 -4.90 117.98 115.96 1ugb s PHE 260 Ca 0.28 -0.98 0.11 0.00 -1.04 0.00 0.00 56.93 55.30 1ugb s PHE 260 Cb 0.20 -0.68 0.09 0.00 -1.21 0.00 0.00 43.02 41.41 1ugb s PHE 260 CO 0.46 -0.17 0.84 1.17 -1.34 0.00 0.00 175.22 176.19