#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uga n HIS 4 N 0.00 1.49 -1.83 1.57 -0.00 -1.26 -4.96 115.22 110.24 1uga n HIS 4 Ca 0.00 0.41 -0.34 0.00 -0.00 0.00 0.00 57.72 57.79 1uga n HIS 4 Cb 0.00 -2.19 0.05 0.00 -0.00 0.00 0.00 29.99 27.85 1uga n HIS 4 CO 0.00 0.00 0.00 1.67 -0.00 0.00 0.00 176.34 178.01 1uga s TRP 5 N -1.65 2.48 0.00 1.57 1.48 -1.26 -4.87 118.94 116.68 1uga s TRP 5 Ca 0.79 1.56 0.00 0.00 -1.06 0.00 0.00 56.10 57.38 1uga s TRP 5 Cb -0.35 -3.30 0.00 0.00 -1.16 0.00 0.00 33.47 28.66 1uga s TRP 5 CO 0.45 -1.93 0.00 0.41 -4.06 0.00 0.00 176.95 171.82 1uga n GLY 6 N -0.05 2.84 0.05 3.67 0.00 0.10 -5.04 105.19 106.75 1uga n GLY 6 Ca 0.12 -0.60 0.04 0.00 0.00 0.00 0.00 46.02 45.58 1uga n GLY 6 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1uga n TYR 7 N 0.00 0.00 -2.48 1.61 4.01 -1.26 -3.71 117.16 115.34 1uga n TYR 7 Ca 0.00 -0.67 -0.26 0.00 -0.16 0.00 0.00 57.90 56.81 1uga n TYR 7 Cb 0.00 -0.09 0.03 0.00 -0.31 0.00 0.00 39.34 38.97 1uga n TYR 7 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1uga s GLY 8 N -1.75 1.60 0.56 2.72 0.00 -1.26 -4.66 107.32 104.53 1uga s GLY 8 Ca 0.14 -0.76 0.28 0.00 0.00 0.00 0.00 44.72 44.38 1uga s GLY 8 CO 0.01 -0.49 1.96 1.70 0.00 0.00 0.00 173.10 176.29 1uga h LYS 9 N -0.09 0.00 0.00 2.90 1.63 -1.96 1.24 116.57 120.29 1uga h LYS 9 Ca -0.45 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.35 1uga h LYS 9 Cb 1.26 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.89 1uga h LYS 9 CO 0.60 0.00 -1.14 0.72 -3.45 0.00 0.00 179.45 176.18 1uga n HIS 10 N -4.08 0.16 -1.75 1.91 8.25 -1.26 -4.37 115.22 114.09 1uga n HIS 10 Ca 0.09 0.05 0.02 0.00 -0.26 0.00 0.00 57.72 57.62 1uga n HIS 10 Cb 0.64 -0.34 0.02 0.00 1.12 0.00 0.00 29.99 31.43 1uga n HIS 10 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1uga n ASN 11 N -1.89 0.45 -4.20 0.41 6.94 -0.73 -4.89 115.26 111.35 1uga n ASN 11 Ca 0.02 -2.14 -0.30 0.00 -0.02 0.00 0.00 54.58 52.14 1uga n ASN 11 Cb 0.43 -0.23 0.19 0.00 -2.36 0.00 0.00 39.78 37.81 1uga n ASN 11 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 1uga s GLY 12 N -1.28 1.68 0.46 4.83 0.00 0.42 -0.72 107.32 112.71 1uga s GLY 12 Ca 0.06 -0.98 0.33 0.00 0.00 0.00 0.00 44.72 44.12 1uga s GLY 12 CO 0.01 -0.23 1.64 -2.55 0.00 0.00 0.00 173.10 171.96 1uga h PRO 13 N -1.85 0.08 0.00 2.90 0.11 -1.85 0.19 132.00 131.58 1uga h PRO 13 Ca -0.46 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1uga h PRO 13 Cb 1.27 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1uga h PRO 13 CO 0.43 0.05 0.00 -0.85 -0.21 0.00 0.00 178.00 177.42 1uga n GLU 14 N -4.53 0.77 -0.00 1.05 0.00 -1.26 -2.67 120.64 113.99 1uga n GLU 14 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.53 1uga n GLU 14 Cb 1.48 -1.50 -0.00 0.00 0.00 0.00 0.00 31.44 31.42 1uga n GLU 14 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 1uga n HIS 15 N -1.01 0.00 -0.35 -1.84 8.25 0.66 -4.78 115.22 116.15 1uga n HIS 15 Ca 0.18 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.75 1uga n HIS 15 Cb 0.09 -0.00 0.29 0.00 1.12 0.00 0.00 29.99 31.49 1uga n HIS 15 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 1uga h TRP 16 N 0.00 1.09 -0.55 4.41 6.55 -1.45 -1.93 115.95 124.07 1uga h TRP 16 Ca 0.00 0.03 0.16 0.00 0.95 0.00 0.00 58.89 60.03 1uga h TRP 16 Cb 0.02 -0.34 -0.02 0.00 -0.86 0.00 0.00 29.16 27.96 1uga h TRP 16 CO 0.00 0.33 0.51 1.12 -1.05 0.00 0.00 178.44 179.36 1uga h HIS 17 N 0.86 0.00 -0.11 0.49 2.07 -1.78 0.11 115.15 116.78 1uga h HIS 17 Ca 0.54 0.00 -0.09 0.00 -2.85 0.00 0.00 60.37 57.97 1uga h HIS 17 Cb 0.72 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.69 1uga h HIS 17 CO -0.00 0.00 -0.34 0.87 -3.07 0.00 0.00 177.93 175.39 1uga h LYS 18 N 0.00 0.22 0.00 5.12 1.57 -1.72 -2.93 116.57 118.84 1uga h LYS 18 Ca 0.26 -0.09 -0.18 0.00 -1.87 0.00 0.00 60.65 58.77 1uga h LYS 18 Cb 1.29 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.55 1uga h LYS 18 CO -0.00 0.54 -2.00 -0.25 -0.57 0.00 0.00 179.45 177.17 1uga n ASP 19 N -4.09 0.98 -3.78 0.86 8.00 -0.37 -4.77 116.55 113.38 1uga n ASP 19 Ca -0.01 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.20 1uga n ASP 19 Cb 0.42 1.25 -0.12 0.00 -0.02 0.00 0.00 41.12 42.64 1uga n ASP 19 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1uga s PHE 20 N -2.71 2.66 0.57 1.24 0.08 0.23 -4.96 117.98 115.09 1uga s PHE 20 Ca -0.07 -2.89 0.31 0.00 0.12 0.00 0.00 56.93 54.39 1uga s PHE 20 Cb 0.07 -2.22 1.45 0.00 -0.57 0.00 0.00 43.02 41.76 1uga s PHE 20 CO 0.69 -0.69 1.85 -1.35 -0.10 0.00 0.00 175.22 175.62 1uga h PRO 21 N 6.03 0.00 0.00 0.24 0.11 -1.76 0.05 132.00 136.67 1uga h PRO 21 Ca 0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.19 1uga h PRO 21 Cb 0.85 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.96 1uga h PRO 21 CO 0.59 0.00 0.00 1.51 -0.21 0.00 0.00 178.00 179.89 1uga n ILE 22 N -3.94 1.18 0.16 4.15 0.13 -1.26 -2.03 119.36 117.74 1uga n ILE 22 Ca 0.15 0.65 0.13 0.00 -1.10 0.00 0.00 62.75 62.58 1uga n ILE 22 Cb 0.89 -1.65 0.65 0.00 -0.84 0.00 0.00 39.64 38.70 1uga n ILE 22 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1uga h ALA 23 N 2.03 2.18 -0.89 1.51 0.00 -1.30 0.18 119.26 122.98 1uga h ALA 23 Ca 0.00 -0.01 -0.58 0.00 0.00 0.00 0.00 54.91 54.33 1uga h ALA 23 Cb 0.03 0.01 -0.30 0.00 0.00 0.00 0.00 17.79 17.53 1uga h ALA 23 CO 0.00 -0.24 0.46 1.63 0.00 0.00 0.00 179.25 181.10 1uga n LYS 24 N -4.48 2.67 -1.18 0.00 5.02 -0.86 -4.96 118.16 114.37 1uga n LYS 24 Ca 0.02 -3.37 -0.18 0.00 -2.02 0.00 0.00 58.31 52.76 1uga n LYS 24 Cb 0.28 -2.22 0.13 0.00 -0.02 0.00 0.00 35.03 33.20 1uga n LYS 24 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1uga n GLY 25 N -0.95 -1.35 0.09 0.72 0.00 0.05 -5.02 105.19 98.73 1uga n GLY 25 Ca 0.56 -1.70 0.12 0.00 0.00 0.00 0.00 46.02 45.00 1uga n GLY 25 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1uga h GLU 26 N 0.00 0.00 -1.53 1.61 4.39 -1.95 -3.39 114.58 113.71 1uga h GLU 26 Ca -0.27 0.00 -0.46 0.00 0.34 0.00 0.00 59.36 58.97 1uga h GLU 26 Cb 0.73 0.00 -0.41 0.00 -0.10 0.00 0.00 28.75 28.97 1uga h GLU 26 CO 0.19 0.00 -1.05 2.89 -1.16 0.00 0.00 179.01 179.88 1uga n ARG 27 N -2.29 1.74 -2.95 2.33 1.85 -1.26 -4.64 116.66 111.44 1uga n ARG 27 Ca 0.03 -3.70 -0.33 0.00 -1.00 0.00 0.00 57.85 52.85 1uga n ARG 27 Cb 0.46 -1.67 -0.07 0.00 -1.05 0.00 0.00 32.46 30.14 1uga n ARG 27 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 1uga s GLN 28 N -3.04 4.13 0.23 2.89 -1.52 -1.26 -2.39 119.66 118.70 1uga s GLN 28 Ca 0.37 0.93 0.11 0.00 -1.95 0.00 0.00 55.36 54.82 1uga s GLN 28 Cb 0.40 -2.28 -0.05 0.00 -0.22 0.00 0.00 33.01 30.86 1uga s GLN 28 CO -0.06 0.05 -0.21 -1.12 -0.25 0.00 0.00 175.29 173.70 1uga s SER 29 N -2.22 3.34 0.83 5.90 0.01 -1.26 -4.65 113.70 115.64 1uga s SER 29 Ca 0.59 -0.95 -0.06 0.00 1.31 0.00 0.00 55.95 56.84 1uga s SER 29 Cb -0.09 -0.25 0.14 0.00 0.21 0.00 0.00 66.02 66.02 1uga s SER 29 CO 0.15 0.05 0.85 -0.81 0.41 0.00 0.00 173.24 173.89 1uga n PRO 30 N -0.15 -0.44 -4.21 12.44 -0.04 -1.26 -4.60 135.00 136.74 1uga n PRO 30 Ca -0.09 -1.74 -0.13 0.00 -0.04 0.00 0.00 63.50 61.50 1uga n PRO 30 Cb 0.58 -0.75 -0.09 0.00 -0.04 0.00 0.00 33.50 33.20 1uga n PRO 30 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1uga s VAL 31 N -2.67 0.00 -0.18 0.52 -7.23 -1.26 -0.27 120.40 109.31 1uga s VAL 31 Ca 0.52 -1.97 -0.13 0.00 -1.81 0.00 0.00 61.98 58.58 1uga s VAL 31 Cb -0.02 -2.49 -0.05 0.00 0.56 0.00 0.00 36.38 34.38 1uga s VAL 31 CO 0.35 0.00 0.26 -0.62 -0.31 0.00 0.00 175.10 174.79 1uga s ASP 32 N -3.20 6.36 -0.48 4.85 2.15 -1.26 -2.76 116.67 122.32 1uga s ASP 32 Ca 0.39 0.41 -0.19 0.00 0.43 0.00 0.00 52.55 53.59 1uga s ASP 32 Cb 0.06 -2.16 0.05 0.00 -0.30 0.00 0.00 42.92 40.56 1uga s ASP 32 CO 0.15 0.08 0.59 -0.63 -0.17 0.00 0.00 175.17 175.19 1uga s ILE 33 N 0.66 4.91 -0.54 4.11 1.01 0.70 -4.92 121.20 127.13 1uga s ILE 33 Ca 0.14 -0.40 -0.25 0.00 0.00 0.00 0.00 60.65 60.14 1uga s ILE 33 Cb -0.13 -4.24 0.04 0.00 0.01 0.00 0.00 42.46 38.14 1uga s ILE 33 CO 0.04 -0.71 0.99 -0.62 0.00 0.00 0.00 174.94 174.64 1uga s ASP 34 N 2.45 6.40 0.57 3.58 2.15 -1.26 -0.53 116.67 130.02 1uga s ASP 34 Ca 0.15 -0.15 0.33 0.00 0.43 0.00 0.00 52.55 53.31 1uga s ASP 34 Cb -0.18 -2.46 1.70 0.00 -0.30 0.00 0.00 42.92 41.68 1uga s ASP 34 CO 0.13 -1.24 2.15 0.71 -0.17 0.00 0.00 175.17 176.75 1uga h THR 35 N 6.06 0.34 0.00 1.71 1.35 -1.95 -2.42 112.91 118.01 1uga h THR 35 Ca -0.25 -0.36 -0.02 0.00 -0.55 0.00 0.00 66.41 65.23 1uga h THR 35 Cb 1.07 1.26 -0.00 0.00 -1.73 0.00 0.00 68.15 68.75 1uga h THR 35 CO 1.09 0.06 -0.27 0.45 -0.25 0.00 0.00 175.52 176.61 1uga h HIS 36 N 0.00 0.00 -0.01 4.73 3.86 -2.03 -3.30 115.15 118.40 1uga h HIS 36 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1uga h HIS 36 Cb 0.25 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.72 1uga h HIS 36 CO 0.00 0.10 -0.45 2.41 0.86 0.00 0.00 177.93 180.84 1uga n THR 37 N -3.05 0.00 -2.08 2.45 -1.04 -1.10 -4.96 114.28 104.50 1uga n THR 37 Ca 0.03 -0.27 -0.41 0.00 -2.04 0.00 0.00 64.05 61.35 1uga n THR 37 Cb 0.57 1.11 -0.02 0.00 -1.82 0.00 0.00 70.33 70.17 1uga n THR 37 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1uga s ALA 38 N -2.02 3.59 -0.21 2.41 0.00 -0.93 -4.82 121.76 119.78 1uga s ALA 38 Ca 0.10 1.26 -0.17 0.00 0.00 0.00 0.00 51.96 53.14 1uga s ALA 38 Cb 0.12 -3.53 -0.03 0.00 0.00 0.00 0.00 23.12 19.67 1uga s ALA 38 CO 0.46 -0.67 0.46 0.21 0.00 0.00 0.00 175.76 176.22 1uga s LYS 39 N -0.38 4.16 -0.15 0.00 2.36 -0.20 -4.81 119.74 120.71 1uga s LYS 39 Ca 0.58 0.29 -0.29 0.00 -2.55 0.00 0.00 55.97 53.99 1uga s LYS 39 Cb -0.40 -3.57 -0.03 0.00 -1.05 0.00 0.00 37.83 32.78 1uga s LYS 39 CO 0.42 -0.14 1.44 -0.47 1.55 0.00 0.00 175.35 178.16 1uga s TYR 40 N 1.61 2.45 -0.41 4.03 5.04 -1.26 -0.03 117.35 128.78 1uga s TYR 40 Ca 0.21 0.68 -0.08 0.00 -2.44 0.00 0.00 57.07 55.44 1uga s TYR 40 Cb -0.15 -3.74 0.08 0.00 0.35 0.00 0.00 41.96 38.50 1uga s TYR 40 CO 0.09 -2.54 0.23 0.34 -1.34 0.00 0.00 175.55 172.33 1uga s ASP 41 N 2.81 5.53 0.48 4.32 -1.08 -0.22 -4.87 116.67 123.63 1uga s ASP 41 Ca 0.63 -1.58 0.33 0.00 -0.52 0.00 0.00 52.55 51.41 1uga s ASP 41 Cb -0.25 -1.94 1.58 0.00 -1.46 0.00 0.00 42.92 40.84 1uga s ASP 41 CO 0.22 -0.52 1.99 1.55 0.52 0.00 0.00 175.17 178.92 1uga h PRO 42 N 8.32 0.00 -0.11 4.34 0.13 -1.93 -2.29 132.00 140.46 1uga h PRO 42 Ca -0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 1uga h PRO 42 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1uga h PRO 42 CO 0.74 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.38 1uga n SER 43 N -2.76 0.81 -4.73 1.44 3.41 -1.26 -4.84 113.62 105.70 1uga n SER 43 Ca -0.01 -1.74 -0.41 0.00 -0.26 0.00 0.00 58.87 56.46 1uga n SER 43 Cb 0.17 -0.07 -0.04 0.00 -0.26 0.00 0.00 64.21 64.00 1uga n SER 43 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1uga s LEU 44 N -1.34 4.44 0.55 1.04 1.43 -0.86 -5.05 118.68 118.89 1uga s LEU 44 Ca 0.22 1.62 -0.12 0.00 -1.03 0.00 0.00 54.13 54.83 1uga s LEU 44 Cb 0.11 -3.45 -0.05 0.00 0.03 0.00 0.00 46.19 42.82 1uga s LEU 44 CO 0.17 -0.10 0.96 -0.54 0.23 0.00 0.00 176.35 177.07 1uga s LYS 45 N 0.31 3.72 0.77 1.70 3.01 -1.20 -4.97 119.74 123.08 1uga s LYS 45 Ca 0.45 0.71 -0.11 0.00 -1.01 0.00 0.00 55.97 56.02 1uga s LYS 45 Cb -0.22 -2.17 0.06 0.00 -1.01 0.00 0.00 37.83 34.49 1uga s LYS 45 CO 0.27 -0.38 1.09 -2.14 0.51 0.00 0.00 175.35 174.70 1uga s PRO 46 N -4.64 2.27 0.32 -1.68 0.02 -1.26 -2.88 135.00 127.15 1uga s PRO 46 Ca 0.55 1.18 -0.26 0.00 0.02 0.00 0.00 61.00 62.48 1uga s PRO 46 Cb -0.10 -1.90 -0.10 0.00 0.02 0.00 0.00 34.50 32.42 1uga s PRO 46 CO 0.44 -1.64 0.97 -0.51 -0.33 0.00 0.00 177.00 175.93 1uga s LEU 47 N -5.89 4.36 -0.25 -5.54 1.43 -1.26 -1.31 118.68 110.22 1uga s LEU 47 Ca 0.61 1.91 0.03 0.00 -1.03 0.00 0.00 54.13 55.65 1uga s LEU 47 Cb -0.17 -3.97 0.05 0.00 0.03 0.00 0.00 46.19 42.13 1uga s LEU 47 CO 0.55 -0.11 -0.12 -0.55 0.23 0.00 0.00 176.35 176.35 1uga s SER 48 N -1.51 4.23 -0.21 2.29 0.15 0.39 -4.91 113.70 114.14 1uga s SER 48 Ca 0.50 -1.27 -0.03 0.00 0.70 0.00 0.00 55.95 55.84 1uga s SER 48 Cb -0.21 -1.54 -0.01 0.00 -1.71 0.00 0.00 66.02 62.55 1uga s SER 48 CO 0.26 -0.16 -0.05 -0.69 1.20 0.00 0.00 173.24 173.80 1uga s VAL 49 N 1.13 3.35 -0.54 4.45 1.01 -1.26 -1.09 120.40 127.45 1uga s VAL 49 Ca -0.07 -0.51 0.04 0.00 0.00 0.00 0.00 61.98 61.45 1uga s VAL 49 Cb -0.19 -2.51 0.14 0.00 0.00 0.00 0.00 36.38 33.82 1uga s VAL 49 CO -0.06 0.44 0.31 -0.44 0.00 0.00 0.00 175.10 175.35 1uga s SER 50 N 1.31 4.19 0.00 3.32 0.01 -0.33 -4.90 113.70 117.30 1uga s SER 50 Ca 0.04 -3.14 0.15 0.00 1.31 0.00 0.00 55.95 54.31 1uga s SER 50 Cb -0.14 -1.47 0.31 0.00 0.21 0.00 0.00 66.02 64.92 1uga s SER 50 CO -0.02 -0.20 1.21 -1.22 0.41 0.00 0.00 173.24 173.42 1uga n TYR 51 N 2.92 0.40 0.31 2.43 4.01 -1.26 -1.43 117.16 124.53 1uga n TYR 51 Ca 0.10 -0.31 0.18 0.00 -0.16 0.00 0.00 57.90 57.70 1uga n TYR 51 Cb 0.34 -0.01 0.99 0.00 -0.31 0.00 0.00 39.34 40.34 1uga n TYR 51 CO 0.00 0.00 0.00 0.38 -0.46 0.00 0.00 176.86 176.78 1uga h ASP 52 N 2.86 0.00 -0.17 7.72 2.03 -1.91 -2.28 116.42 124.67 1uga h ASP 52 Ca 0.00 0.00 -0.04 0.00 -0.73 0.00 0.00 57.03 56.26 1uga h ASP 52 Cb 0.75 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.23 1uga h ASP 52 CO 0.00 0.02 -0.07 0.00 -1.03 0.00 0.00 179.24 178.17 1uga n GLN 53 N -3.46 2.04 -1.74 4.15 1.13 -1.25 -5.05 117.38 113.19 1uga n GLN 53 Ca -0.03 -2.88 -0.39 0.00 -1.94 0.00 0.00 57.00 51.77 1uga n GLN 53 Cb 0.12 -1.71 0.04 0.00 0.11 0.00 0.00 30.24 28.81 1uga n GLN 53 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1uga n ALA 54 N -1.00 1.55 -3.68 -1.58 0.00 -0.86 -4.55 120.51 110.40 1uga n ALA 54 Ca 0.22 0.13 -0.30 0.00 0.00 0.00 0.00 53.44 53.49 1uga n ALA 54 Cb 0.82 -2.35 -0.14 0.00 0.00 0.00 0.00 19.45 17.78 1uga n ALA 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1uga s THR 55 N -1.29 0.79 0.26 0.00 2.01 -1.26 -4.94 115.64 111.20 1uga s THR 55 Ca 0.71 -1.57 -0.29 0.00 0.31 0.00 0.00 61.69 60.85 1uga s THR 55 Cb -0.42 -1.59 -0.09 0.00 0.01 0.00 0.00 72.50 70.41 1uga s THR 55 CO 0.50 -0.76 0.96 -0.94 -0.69 0.00 0.00 174.62 173.69 1uga s SER 56 N 1.39 7.55 -0.06 3.53 1.04 -1.26 -0.58 113.70 125.31 1uga s SER 56 Ca 0.12 1.96 -0.06 0.00 0.48 0.00 0.00 55.95 58.45 1uga s SER 56 Cb -0.19 -2.61 -0.03 0.00 0.10 0.00 0.00 66.02 63.29 1uga s SER 56 CO -0.19 0.09 -0.14 0.18 0.98 0.00 0.00 173.24 174.15 1uga n LEU 57 N 1.29 1.14 -3.90 2.42 4.77 0.32 -3.91 117.00 119.13 1uga n LEU 57 Ca -0.01 0.18 -0.09 0.00 -0.03 0.00 0.00 56.01 56.06 1uga n LEU 57 Cb 0.47 -0.42 -0.07 0.00 -2.33 0.00 0.00 43.42 41.07 1uga n LEU 57 CO 0.49 -0.20 -0.05 -0.60 -1.33 0.00 0.00 177.39 175.70 1uga s ARG 58 N -2.29 1.01 -0.05 3.23 3.52 -1.21 -0.60 118.95 122.57 1uga s ARG 58 Ca -0.13 -1.06 0.04 0.00 -0.13 0.00 0.00 55.73 54.45 1uga s ARG 58 Cb 0.04 0.36 -0.00 0.00 -1.56 0.00 0.00 34.95 33.79 1uga s ARG 58 CO 0.18 -0.35 -0.17 -1.50 -0.81 0.00 0.00 175.30 172.65 1uga s ILE 59 N -3.91 1.42 0.00 4.11 2.07 -0.67 -0.32 121.20 123.90 1uga s ILE 59 Ca 0.11 -0.70 0.01 0.00 -1.41 0.00 0.00 60.65 58.67 1uga s ILE 59 Cb 0.04 -1.23 -0.01 0.00 0.13 0.00 0.00 42.46 41.39 1uga s ILE 59 CO -0.06 0.41 -0.04 -0.22 -1.91 0.00 0.00 174.94 173.12 1uga s LEU 60 N 0.16 2.05 -0.42 8.50 2.96 0.40 -1.09 118.68 131.25 1uga s LEU 60 Ca -0.07 -0.16 -0.19 0.00 -0.22 0.00 0.00 54.13 53.50 1uga s LEU 60 Cb -0.13 -0.19 0.02 0.00 0.50 0.00 0.00 46.19 46.40 1uga s LEU 60 CO 0.03 -0.00 0.52 0.21 -1.32 0.00 0.00 176.35 175.79 1uga s ASN 61 N -0.37 6.26 0.00 3.68 3.84 0.01 -0.41 114.94 127.95 1uga s ASN 61 Ca -0.01 -0.44 0.21 0.00 0.21 0.00 0.00 52.86 52.83 1uga s ASN 61 Cb -0.03 -2.27 0.55 0.00 -0.55 0.00 0.00 41.25 38.95 1uga s ASN 61 CO -0.00 -0.64 1.45 -0.46 -2.79 0.00 0.00 177.10 174.67 1uga n ASN 62 N 5.87 2.67 0.00 -4.21 0.23 -0.63 -0.57 115.26 118.61 1uga n ASN 62 Ca -0.05 -1.89 0.00 0.00 -0.53 0.00 0.00 54.58 52.12 1uga n ASN 62 Cb 0.48 -0.20 0.00 0.00 -2.08 0.00 0.00 39.78 37.98 1uga n ASN 62 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1uga n GLY 63 N 1.34 0.75 0.59 4.83 0.00 -1.26 -4.79 105.19 106.65 1uga n GLY 63 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1uga n GLY 63 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1uga n HIS 64 N -2.08 0.00 -3.61 1.61 8.25 -1.26 -4.73 115.22 113.40 1uga n HIS 64 Ca 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.43 1uga n HIS 64 Cb 0.00 0.08 0.01 0.00 1.12 0.00 0.00 29.99 31.20 1uga n HIS 64 CO 0.00 0.00 0.00 1.97 0.64 0.00 0.00 176.34 178.95 1uga n PHE 65 N -2.42 -1.31 -4.38 4.41 1.16 -1.26 -4.86 117.46 108.80 1uga n PHE 65 Ca 0.00 -0.86 -0.32 0.00 -1.87 0.00 0.00 57.45 54.39 1uga n PHE 65 Cb 0.31 0.42 -0.10 0.00 -1.61 0.00 0.00 39.48 38.51 1uga n PHE 65 CO 0.00 0.00 0.00 -0.59 -1.87 0.00 0.00 176.76 174.30 1uga s PHE 66 N -4.21 2.98 -0.08 2.97 -0.71 -1.26 -1.61 117.98 116.06 1uga s PHE 66 Ca 0.12 0.02 0.04 0.00 -1.04 0.00 0.00 56.93 56.07 1uga s PHE 66 Cb -0.02 -1.65 -0.01 0.00 -1.21 0.00 0.00 43.02 40.13 1uga s PHE 66 CO 0.05 0.41 -0.21 -0.80 -1.34 0.00 0.00 175.22 173.33 1uga s ASN 67 N -1.44 3.37 -0.26 1.98 0.02 0.45 -4.34 114.94 114.72 1uga s ASN 67 Ca 0.18 -0.45 -0.10 0.00 -1.02 0.00 0.00 52.86 51.47 1uga s ASN 67 Cb -0.11 -1.12 -0.04 0.00 0.02 0.00 0.00 41.25 39.99 1uga s ASN 67 CO 0.08 0.22 0.15 -0.69 0.02 0.00 0.00 177.10 176.89 1uga s VAL 68 N -0.02 5.07 -0.04 1.60 1.01 -0.85 -0.46 120.40 126.71 1uga s VAL 68 Ca -0.07 0.09 -0.01 0.00 0.00 0.00 0.00 61.98 61.98 1uga s VAL 68 Cb -0.15 -3.39 -0.04 0.00 0.00 0.00 0.00 36.38 32.80 1uga s VAL 68 CO 0.05 0.29 0.06 -1.61 0.00 0.00 0.00 175.10 173.89 1uga s GLU 69 N 1.57 3.06 0.31 2.72 2.02 0.57 -2.02 118.70 126.92 1uga s GLU 69 Ca 0.07 -0.43 0.09 0.00 0.02 0.00 0.00 54.97 54.72 1uga s GLU 69 Cb -0.15 -2.86 -0.05 0.00 0.10 0.00 0.00 34.13 31.17 1uga s GLU 69 CO 0.08 0.68 0.01 -0.06 0.02 0.00 0.00 175.26 175.99 1uga s PHE 70 N -1.07 2.61 -0.67 1.61 0.40 -0.33 -0.52 117.98 120.01 1uga s PHE 70 Ca 0.19 -0.34 -0.26 0.00 -0.60 0.00 0.00 56.93 55.92 1uga s PHE 70 Cb -0.12 -1.37 0.04 0.00 0.51 0.00 0.00 43.02 42.09 1uga s PHE 70 CO 0.09 0.52 1.17 0.34 0.70 0.00 0.00 175.22 178.04 1uga s ASP 71 N -3.71 6.24 -0.51 1.36 2.15 0.25 -4.85 116.67 117.60 1uga s ASP 71 Ca 0.34 -0.43 0.02 0.00 0.43 0.00 0.00 52.55 52.91 1uga s ASP 71 Cb -0.03 -2.52 0.55 0.00 -0.30 0.00 0.00 42.92 40.62 1uga s ASP 71 CO 0.20 -1.63 1.88 -0.90 -0.17 0.00 0.00 175.17 174.55 1uga n ASP 72 N 8.67 5.24 0.07 -0.34 5.75 -1.26 -4.44 116.55 130.22 1uga n ASP 72 Ca 0.03 -3.71 0.12 0.00 -0.01 0.00 0.00 54.79 51.22 1uga n ASP 72 Cb 0.48 -0.85 0.28 0.00 -1.03 0.00 0.00 41.12 40.01 1uga n ASP 72 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1uga n SER 73 N -1.03 0.67 -4.06 -1.12 3.41 -1.26 -4.88 113.62 105.35 1uga n SER 73 Ca 0.57 0.26 -0.10 0.00 -0.26 0.00 0.00 58.87 59.35 1uga n SER 73 Cb 1.17 -0.18 -0.09 0.00 -0.26 0.00 0.00 64.21 64.86 1uga n SER 73 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1uga s GLN 74 N -3.12 1.04 -1.20 4.33 -0.21 -1.26 -5.06 119.66 114.18 1uga s GLN 74 Ca 0.09 -1.32 -0.16 0.00 0.02 0.00 0.00 55.36 53.99 1uga s GLN 74 Cb 0.14 0.31 -0.05 0.00 1.00 0.00 0.00 33.01 34.41 1uga s GLN 74 CO 0.67 -0.34 2.18 -0.25 -2.12 0.00 0.00 175.29 175.43 1uga n ASP 75 N -0.15 3.90 -0.06 5.90 9.92 -1.26 -4.61 116.55 130.19 1uga n ASP 75 Ca -0.06 -2.73 -0.05 0.00 -0.53 0.00 0.00 54.79 51.43 1uga n ASP 75 Cb 0.63 -1.43 -0.02 0.00 -0.64 0.00 0.00 41.12 39.66 1uga n ASP 75 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 1uga h LYS 76 N 6.58 0.00 -4.85 -1.24 1.57 -1.86 -3.45 116.57 113.33 1uga h LYS 76 Ca 0.54 0.00 -0.68 0.00 -1.87 0.00 0.00 60.65 58.65 1uga h LYS 76 Cb 0.59 0.00 -0.35 0.00 0.08 0.00 0.00 32.23 32.55 1uga h LYS 76 CO 1.88 0.14 -0.76 0.00 -0.57 0.00 0.00 179.45 180.13 1uga s ALA 77 N -2.60 2.66 0.19 3.86 0.00 -1.26 -3.95 121.76 120.67 1uga s ALA 77 Ca -0.10 -1.71 0.06 0.00 0.00 0.00 0.00 51.96 50.21 1uga s ALA 77 Cb 0.01 -1.70 -0.05 0.00 0.00 0.00 0.00 23.12 21.38 1uga s ALA 77 CO 0.18 -1.14 -0.11 0.14 0.00 0.00 0.00 175.76 174.83 1uga s VAL 78 N 1.19 1.44 -0.07 0.00 -7.23 -0.51 -0.80 120.40 114.41 1uga s VAL 78 Ca -0.06 -2.13 0.03 0.00 -1.81 0.00 0.00 61.98 58.01 1uga s VAL 78 Cb -0.19 -2.04 0.01 0.00 0.56 0.00 0.00 36.38 34.72 1uga s VAL 78 CO -0.04 -0.60 -0.17 -0.22 -0.31 0.00 0.00 175.10 173.76 1uga s LEU 79 N -3.27 1.84 0.31 1.32 2.96 0.36 -1.18 118.68 121.01 1uga s LEU 79 Ca 0.22 -0.39 0.01 0.00 -0.22 0.00 0.00 54.13 53.75 1uga s LEU 79 Cb 0.02 -1.04 -0.02 0.00 0.50 0.00 0.00 46.19 45.64 1uga s LEU 79 CO 0.05 0.10 0.34 -0.54 -1.32 0.00 0.00 176.35 174.97 1uga s LYS 80 N 0.43 1.71 2.25 1.98 1.02 -0.25 -1.91 119.74 124.98 1uga s LYS 80 Ca -0.14 -1.82 0.00 0.00 0.02 0.00 0.00 55.97 54.03 1uga s LYS 80 Cb -0.16 0.37 0.00 0.00 -0.52 0.00 0.00 37.83 37.52 1uga s LYS 80 CO 0.05 -0.66 0.00 0.41 -0.92 0.00 0.00 175.35 174.23 1uga n GLY 81 N -0.53 -0.85 7.00 -3.33 0.00 -1.26 -0.46 105.19 105.76 1uga n GLY 81 Ca 0.04 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.88 1uga n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uga n GLY 82 N 0.00 2.89 0.37 -0.02 0.00 -0.43 -1.47 105.19 106.52 1uga n GLY 82 Ca 0.00 -0.25 0.13 0.00 0.00 0.00 0.00 46.02 45.91 1uga n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1uga n PRO 83 N 13.58 1.21 -2.44 1.61 -0.04 -1.26 -3.23 135.00 144.43 1uga n PRO 83 Ca 0.00 -0.74 -0.32 0.00 -0.04 0.00 0.00 63.50 62.41 1uga n PRO 83 Cb 0.00 -1.48 -0.03 0.00 -0.04 0.00 0.00 33.50 31.94 1uga n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1uga s LEU 84 N -2.30 3.63 -0.20 1.53 1.43 -0.54 -5.07 118.68 117.16 1uga s LEU 84 Ca 0.29 1.48 0.01 0.00 -1.03 0.00 0.00 54.13 54.88 1uga s LEU 84 Cb 0.20 -4.42 0.05 0.00 0.03 0.00 0.00 46.19 42.05 1uga s LEU 84 CO 0.45 -0.57 -0.08 -1.81 0.23 0.00 0.00 176.35 174.57 1uga s ASP 85 N -3.17 3.44 0.00 2.29 1.01 -1.26 -4.44 116.67 114.54 1uga s ASP 85 Ca 0.57 -0.94 0.00 0.00 0.71 0.00 0.00 52.55 52.89 1uga s ASP 85 Cb -0.10 -1.15 0.00 0.00 1.01 0.00 0.00 42.92 42.68 1uga s ASP 85 CO 0.33 -0.18 0.00 0.61 0.21 0.00 0.00 175.17 176.13 1uga n GLY 86 N 4.72 0.53 3.75 0.21 0.00 -1.26 -4.98 105.19 108.15 1uga n GLY 86 Ca -0.13 -2.13 -0.36 0.00 0.00 0.00 0.00 46.02 43.40 1uga n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1uga s THR 87 N -1.06 5.10 -0.12 2.61 2.01 -1.26 -4.66 115.64 118.26 1uga s THR 87 Ca 0.00 0.07 0.02 0.00 0.31 0.00 0.00 61.69 62.09 1uga s THR 87 Cb 0.00 -3.26 -0.01 0.00 0.01 0.00 0.00 72.50 69.25 1uga s THR 87 CO 0.00 0.53 -0.19 -0.31 -0.69 0.00 0.00 174.62 173.96 1uga s TYR 88 N -0.30 2.67 -0.06 4.92 1.51 -0.80 -1.04 117.35 124.25 1uga s TYR 88 Ca 0.10 -0.91 -0.14 0.00 -1.01 0.00 0.00 57.07 55.11 1uga s TYR 88 Cb -0.12 -1.77 -0.05 0.00 -0.11 0.00 0.00 41.96 39.91 1uga s TYR 88 CO 0.01 -0.35 0.37 1.03 -1.11 0.00 0.00 175.55 175.50 1uga s ARG 89 N 0.38 3.99 0.06 -0.62 0.52 -0.43 -0.49 118.95 122.36 1uga s ARG 89 Ca -0.15 0.30 -0.31 0.00 -0.52 0.00 0.00 55.73 55.06 1uga s ARG 89 Cb -0.17 -3.29 -0.06 0.00 0.52 0.00 0.00 34.95 31.95 1uga s ARG 89 CO 0.07 0.54 1.32 -1.17 0.02 0.00 0.00 175.30 176.09 1uga s LEU 90 N -0.55 4.35 -0.07 2.53 2.96 0.01 -1.67 118.68 126.25 1uga s LEU 90 Ca 0.22 2.14 0.05 0.00 -0.22 0.00 0.00 54.13 56.32 1uga s LEU 90 Cb -0.15 -3.58 -0.08 0.00 0.50 0.00 0.00 46.19 42.89 1uga s LEU 90 CO 0.10 -0.61 0.00 0.00 -1.32 0.00 0.00 176.35 174.52 1uga n ILE 91 N 4.18 0.45 -3.60 6.68 3.06 -0.27 -4.52 119.36 125.35 1uga n ILE 91 Ca 0.11 -0.26 -0.04 0.00 -2.50 0.00 0.00 62.75 60.06 1uga n ILE 91 Cb 0.44 -0.82 -0.02 0.00 0.54 0.00 0.00 39.64 39.79 1uga n ILE 91 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1uga s GLN 92 N -2.16 0.60 0.04 9.51 1.03 -1.20 -1.18 119.66 126.30 1uga s GLN 92 Ca -0.05 -0.27 0.01 0.00 0.04 0.00 0.00 55.36 55.09 1uga s GLN 92 Cb 0.02 0.24 -0.03 0.00 0.03 0.00 0.00 33.01 33.28 1uga s GLN 92 CO 0.25 -0.27 -0.05 -0.59 -2.54 0.00 0.00 175.29 172.09 1uga s PHE 93 N -2.74 0.53 0.32 9.60 -0.12 -0.86 -0.88 117.98 123.84 1uga s PHE 93 Ca 0.10 -0.61 -0.07 0.00 -0.05 0.00 0.00 56.93 56.30 1uga s PHE 93 Cb 0.00 -0.34 0.01 0.00 -0.63 0.00 0.00 43.02 42.06 1uga s PHE 93 CO -0.04 -0.16 0.52 -3.38 -0.05 0.00 0.00 175.22 172.10 1uga s HIS 94 N -1.90 0.74 0.20 3.49 -3.43 -0.82 -2.01 115.29 111.56 1uga s HIS 94 Ca -0.08 -1.07 0.04 0.00 -0.80 0.00 0.00 55.06 53.14 1uga s HIS 94 Cb -0.07 0.12 -0.05 0.00 -1.43 0.00 0.00 32.58 31.15 1uga s HIS 94 CO -0.02 -1.16 -0.03 -0.06 -2.00 0.00 0.00 174.74 171.47 1uga s PHE 95 N -3.21 1.43 -0.03 0.38 0.40 -1.26 -1.00 117.98 114.69 1uga s PHE 95 Ca 0.26 -0.88 0.03 0.00 -0.60 0.00 0.00 56.93 55.74 1uga s PHE 95 Cb -0.01 -0.80 0.00 0.00 0.51 0.00 0.00 43.02 42.72 1uga s PHE 95 CO 0.16 -0.02 -0.10 -1.01 0.70 0.00 0.00 175.22 174.94 1uga s HIS 96 N -3.42 1.09 0.17 0.36 3.76 -0.65 -4.79 115.29 111.80 1uga s HIS 96 Ca 0.24 -0.29 -0.08 0.00 -0.15 0.00 0.00 55.06 54.78 1uga s HIS 96 Cb 0.05 -0.77 -0.01 0.00 1.11 0.00 0.00 32.58 32.96 1uga s HIS 96 CO 0.06 -0.12 0.27 1.67 -0.85 0.00 0.00 174.74 175.77 1uga s TRP 97 N 0.21 0.46 0.48 1.40 -2.14 -1.22 -1.19 118.94 116.94 1uga s TRP 97 Ca -0.04 -0.82 0.07 0.00 2.66 0.00 0.00 56.10 57.97 1uga s TRP 97 Cb -0.10 -0.09 0.01 0.00 -3.10 0.00 0.00 33.47 30.19 1uga s TRP 97 CO 0.01 -0.72 0.37 0.20 -2.66 0.00 0.00 176.95 174.16 1uga s GLY 98 N -2.98 2.27 0.41 3.67 0.00 -1.17 -0.65 107.32 108.86 1uga s GLY 98 Ca 0.19 -1.63 0.26 0.00 0.00 0.00 0.00 44.72 43.53 1uga s GLY 98 CO 0.01 -1.85 1.74 1.48 0.00 0.00 0.00 173.10 174.48 1uga h SER 99 N 0.93 0.00 -4.60 1.64 4.64 -1.90 -3.40 113.55 110.85 1uga h SER 99 Ca -0.39 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 60.67 1uga h SER 99 Cb 1.28 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.23 1uga h SER 99 CO 0.59 0.00 -0.67 -0.76 -0.87 0.00 0.00 176.83 175.12 1uga s LEU 100 N -5.76 2.19 0.45 5.97 1.43 -1.26 -5.06 118.68 116.65 1uga s LEU 100 Ca 0.06 -1.13 0.31 0.00 -1.03 0.00 0.00 54.13 52.34 1uga s LEU 100 Cb 0.08 -0.03 1.45 0.00 0.03 0.00 0.00 46.19 47.72 1uga s LEU 100 CO 0.61 -0.55 1.93 0.44 0.23 0.00 0.00 176.35 179.01 1uga h ASP 101 N 2.78 0.00 -0.43 2.29 3.32 -1.91 -3.08 116.42 119.39 1uga h ASP 101 Ca -0.36 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.69 1uga h ASP 101 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 1uga h ASP 101 CO 0.63 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.76 1uga n GLY 102 N -0.44 1.56 3.43 2.75 0.00 -1.26 -3.56 105.19 107.66 1uga n GLY 102 Ca -0.00 -0.52 -0.15 0.00 0.00 0.00 0.00 46.02 45.35 1uga n GLY 102 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1uga s GLN 103 N -1.61 1.08 0.00 1.61 -2.07 -1.16 -4.69 119.66 112.81 1uga s GLN 103 Ca 0.32 -0.15 0.00 0.00 -1.82 0.00 0.00 55.36 53.71 1uga s GLN 103 Cb 0.19 0.50 0.00 0.00 -1.09 0.00 0.00 33.01 32.61 1uga s GLN 103 CO 0.17 -0.39 0.00 0.41 -1.32 0.00 0.00 175.29 174.16 1uga n GLY 104 N 0.42 2.92 3.82 2.60 0.00 -0.88 -3.05 105.19 111.02 1uga n GLY 104 Ca -0.18 -0.37 -0.32 0.00 0.00 0.00 0.00 46.02 45.15 1uga n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1uga s SER 105 N 0.00 5.93 -0.22 1.61 1.04 -0.84 -3.45 113.70 117.77 1uga s SER 105 Ca 0.00 1.71 -0.21 0.00 0.48 0.00 0.00 55.95 57.93 1uga s SER 105 Cb 0.00 -2.52 -0.18 0.00 0.10 0.00 0.00 66.02 63.42 1uga s SER 105 CO 0.00 -1.07 0.16 -0.62 0.98 0.00 0.00 173.24 172.69 1uga n GLU 106 N -2.14 0.57 -2.45 4.02 1.02 -1.26 -4.82 120.64 115.57 1uga n GLU 106 Ca 0.08 0.55 -0.32 0.00 -0.02 0.00 0.00 57.16 57.45 1uga n GLU 106 Cb 0.53 -1.72 -0.04 0.00 -0.02 0.00 0.00 31.44 30.19 1uga n GLU 106 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1uga s HIS 107 N -2.38 3.44 0.09 -0.32 3.76 -1.26 -4.36 115.29 114.27 1uga s HIS 107 Ca -0.30 1.46 0.04 0.00 -0.15 0.00 0.00 55.06 56.11 1uga s HIS 107 Cb 0.07 -2.78 -0.03 0.00 1.11 0.00 0.00 32.58 30.94 1uga s HIS 107 CO 0.58 -0.34 -0.11 0.95 -0.85 0.00 0.00 174.74 174.97 1uga s THR 108 N -2.58 0.98 -0.23 1.30 -4.23 -1.11 -4.70 115.64 105.06 1uga s THR 108 Ca 0.59 -1.53 -0.01 0.00 -1.18 0.00 0.00 61.69 59.56 1uga s THR 108 Cb -0.10 -1.25 0.02 0.00 1.34 0.00 0.00 72.50 72.52 1uga s THR 108 CO 0.30 -0.46 -0.09 -0.69 -0.54 0.00 0.00 174.62 173.14 1uga s VAL 109 N -2.06 2.73 -1.57 2.29 1.01 -0.82 -0.22 120.40 121.76 1uga s VAL 109 Ca 0.03 -0.97 -0.15 0.00 0.00 0.00 0.00 61.98 60.89 1uga s VAL 109 Cb -0.05 -2.33 0.10 0.00 0.00 0.00 0.00 36.38 34.09 1uga s VAL 109 CO 0.01 0.29 0.94 0.47 0.00 0.00 0.00 175.10 176.81 1uga n ASP 110 N 4.66 -4.45 0.00 3.32 8.00 0.31 -0.33 116.55 128.06 1uga n ASP 110 Ca -0.17 -0.83 0.00 0.00 0.71 0.00 0.00 54.79 54.50 1uga n ASP 110 Cb 0.48 -3.66 0.00 0.00 -0.02 0.00 0.00 41.12 37.92 1uga n ASP 110 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1uga n LYS 111 N -4.62 0.00 -2.55 -1.24 4.76 -1.26 -5.00 118.16 108.24 1uga n LYS 111 Ca 0.04 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.06 1uga n LYS 111 Cb 0.52 -2.06 -0.03 0.00 -1.84 0.00 0.00 35.03 31.63 1uga n LYS 111 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1uga s LYS 112 N -0.03 4.41 -0.07 1.97 2.20 0.55 -5.00 119.74 123.78 1uga s LYS 112 Ca 0.00 1.57 -0.05 0.00 -0.36 0.00 0.00 55.97 57.13 1uga s LYS 112 Cb 0.00 -3.51 -0.04 0.00 -1.51 0.00 0.00 37.83 32.77 1uga s LYS 112 CO 0.00 -0.33 0.15 0.15 -0.36 0.00 0.00 175.35 174.97 1uga s LYS 113 N 1.82 3.42 0.51 4.03 1.02 -1.26 -1.95 119.74 127.34 1uga s LYS 113 Ca 0.54 -0.23 0.09 0.00 0.02 0.00 0.00 55.97 56.39 1uga s LYS 113 Cb -0.23 -3.13 0.06 0.00 -0.52 0.00 0.00 37.83 34.00 1uga s LYS 113 CO 0.23 0.73 0.69 0.71 -0.92 0.00 0.00 175.35 176.79 1uga s TYR 114 N -1.16 1.94 0.27 3.18 1.51 -1.26 -4.64 117.35 117.19 1uga s TYR 114 Ca 0.20 -0.61 0.13 0.00 -1.01 0.00 0.00 57.07 55.78 1uga s TYR 114 Cb -0.12 -2.26 0.48 0.00 -0.11 0.00 0.00 41.96 39.95 1uga s TYR 114 CO 0.10 -0.85 1.67 0.00 -1.11 0.00 0.00 175.55 175.37 1uga h ALA 115 N 0.38 1.05 -2.76 3.71 0.00 -1.42 -2.10 119.26 118.12 1uga h ALA 115 Ca -0.34 -0.48 0.08 0.00 0.00 0.00 0.00 54.91 54.17 1uga h ALA 115 Cb 1.29 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 1uga h ALA 115 CO 0.43 0.66 0.39 0.00 0.00 0.00 0.00 179.25 180.74 1uga s ALA 116 N -3.71 -1.21 -0.11 0.00 0.00 -1.12 -3.22 121.76 112.39 1uga s ALA 116 Ca -0.01 -0.42 -0.05 0.00 0.00 0.00 0.00 51.96 51.47 1uga s ALA 116 Cb 0.13 0.72 0.05 0.00 0.00 0.00 0.00 23.12 24.02 1uga s ALA 116 CO 0.74 -1.03 0.26 -2.00 0.00 0.00 0.00 175.76 173.73 1uga s GLU 117 N -2.67 0.20 -0.16 0.00 2.12 -0.34 -1.94 118.70 115.92 1uga s GLU 117 Ca 0.16 0.58 -0.11 0.00 0.36 0.00 0.00 54.97 55.96 1uga s GLU 117 Cb -0.04 -0.10 -0.05 0.00 0.26 0.00 0.00 34.13 34.20 1uga s GLU 117 CO 0.07 -0.18 0.20 -1.17 -0.54 0.00 0.00 175.26 173.64 1uga s LEU 118 N 1.45 4.28 -0.21 2.70 2.96 0.11 -1.64 118.68 128.33 1uga s LEU 118 Ca -0.08 0.42 0.01 0.00 -0.22 0.00 0.00 54.13 54.26 1uga s LEU 118 Cb -0.11 -2.20 0.03 0.00 0.50 0.00 0.00 46.19 44.42 1uga s LEU 118 CO -0.09 0.23 -0.15 -1.00 -1.32 0.00 0.00 176.35 174.01 1uga s HIS 119 N -0.06 2.93 -0.45 5.38 3.76 -0.17 -0.34 115.29 126.35 1uga s HIS 119 Ca 0.13 -1.75 -0.13 0.00 -0.15 0.00 0.00 55.06 53.16 1uga s HIS 119 Cb -0.12 -1.95 0.07 0.00 1.11 0.00 0.00 32.58 31.69 1uga s HIS 119 CO 0.02 -0.80 0.33 -0.51 -0.85 0.00 0.00 174.74 172.93 1uga s LEU 120 N 1.26 5.41 -0.16 0.89 1.43 -0.08 -1.94 118.68 125.48 1uga s LEU 120 Ca 0.01 -1.39 -0.21 0.00 -1.03 0.00 0.00 54.13 51.51 1uga s LEU 120 Cb -0.15 -2.10 -0.03 0.00 0.03 0.00 0.00 46.19 43.94 1uga s LEU 120 CO -0.10 -0.59 0.64 -0.69 0.23 0.00 0.00 176.35 175.84 1uga s VAL 121 N 1.55 5.03 0.07 -1.59 1.01 -0.05 -1.12 120.40 125.30 1uga s VAL 121 Ca 0.04 1.24 0.06 0.00 0.00 0.00 0.00 61.98 63.32 1uga s VAL 121 Cb -0.24 -3.96 -0.03 0.00 0.00 0.00 0.00 36.38 32.15 1uga s VAL 121 CO 0.05 0.16 -0.15 -1.00 0.00 0.00 0.00 175.10 174.15 1uga s HIS 122 N 1.57 1.33 0.03 5.22 3.76 -0.12 -1.11 115.29 125.97 1uga s HIS 122 Ca 0.31 -0.42 0.08 0.00 -0.15 0.00 0.00 55.06 54.88 1uga s HIS 122 Cb -0.16 -0.76 -0.03 0.00 1.11 0.00 0.00 32.58 32.75 1uga s HIS 122 CO 0.12 0.07 -0.24 1.67 -0.85 0.00 0.00 174.74 175.51 1uga s TRP 123 N -1.11 2.13 -0.15 1.40 1.48 -0.67 -1.13 118.94 120.88 1uga s TRP 123 Ca 0.01 -0.40 -0.29 0.00 -1.06 0.00 0.00 56.10 54.36 1uga s TRP 123 Cb -0.09 -1.29 -0.05 0.00 -1.16 0.00 0.00 33.47 30.87 1uga s TRP 123 CO 0.02 0.09 2.00 1.21 -4.06 0.00 0.00 176.95 176.21 1uga s ASN 124 N -1.11 5.95 0.66 -2.66 3.84 -0.18 -1.31 114.94 120.13 1uga s ASN 124 Ca 0.10 2.02 0.35 0.00 0.21 0.00 0.00 52.86 55.54 1uga s ASN 124 Cb -0.09 -2.52 1.90 0.00 -0.55 0.00 0.00 41.25 39.99 1uga s ASN 124 CO 0.01 -1.55 2.09 0.71 -2.79 0.00 0.00 177.10 175.57 1uga h THR 125 N 6.50 0.05 -0.52 -5.21 1.35 -1.44 -2.12 112.91 111.53 1uga h THR 125 Ca -0.41 0.00 0.13 0.00 -0.55 0.00 0.00 66.41 65.58 1uga h THR 125 Cb 1.22 0.79 -0.02 0.00 -1.73 0.00 0.00 68.15 68.40 1uga h THR 125 CO 0.97 0.00 0.36 0.50 -0.25 0.00 0.00 175.52 177.10 1uga h LYS 127 N 0.00 0.08 -0.12 4.72 3.64 -1.90 -2.04 116.57 120.96 1uga h LYS 127 Ca 0.01 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1uga h LYS 127 Cb 0.44 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 1uga h LYS 127 CO -0.00 0.05 0.00 0.66 -2.27 0.00 0.00 179.45 177.89 1uga n TYR 128 N -4.41 0.14 0.00 1.91 4.01 -0.80 -4.97 117.16 113.04 1uga n TYR 128 Ca 0.09 -0.07 0.00 0.00 -0.16 0.00 0.00 57.90 57.76 1uga n TYR 128 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.56 1uga n TYR 128 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1uga n GLY 129 N 1.12 1.20 3.36 2.72 0.00 -0.77 -4.65 105.19 108.16 1uga n GLY 129 Ca 0.17 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.09 1uga n GLY 129 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1uga s ASP 130 N 0.00 -0.01 0.18 1.61 1.47 -1.26 -5.06 116.67 113.60 1uga s ASP 130 Ca 0.00 -0.76 -0.13 0.00 1.18 0.00 0.00 52.55 52.83 1uga s ASP 130 Cb 0.00 0.45 0.10 0.00 -0.34 0.00 0.00 42.92 43.13 1uga s ASP 130 CO 0.00 -0.90 1.83 0.15 0.68 0.00 0.00 175.17 176.93 1uga h PHE 131 N 2.50 0.67 0.00 2.11 3.57 -1.94 -1.91 116.94 121.94 1uga h PHE 131 Ca -0.31 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.20 1uga h PHE 131 Cb 1.23 -0.22 -0.00 0.00 2.79 0.00 0.00 35.95 39.75 1uga h PHE 131 CO 0.39 0.40 -0.00 0.78 -2.23 0.00 0.00 178.31 177.65 1uga h GLY 132 N 0.72 0.00 1.08 2.40 0.00 -1.97 -1.47 103.07 103.83 1uga h GLY 132 Ca 0.21 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 47.20 1uga h GLY 132 CO -0.07 0.00 -1.64 0.50 0.00 0.00 0.00 176.54 175.34 1uga h LYS 133 N 0.00 0.43 -0.98 4.80 1.79 -1.79 -3.36 116.57 117.45 1uga h LYS 133 Ca -0.00 -0.73 0.03 0.00 -2.18 0.00 0.00 60.65 57.77 1uga h LYS 133 Cb 0.01 0.27 -0.05 0.00 -1.58 0.00 0.00 32.23 30.87 1uga h LYS 133 CO 0.00 1.34 0.65 0.00 -1.08 0.00 0.00 179.45 180.35 1uga h ALA 134 N 0.18 1.34 0.00 3.86 0.00 -0.49 -2.02 119.26 122.12 1uga h ALA 134 Ca -0.30 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1uga h ALA 134 Cb 2.11 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 19.54 1uga h ALA 134 CO 0.21 0.58 0.00 1.33 0.00 0.00 0.00 179.25 181.37 1uga n VAL 135 N -4.42 1.26 -0.43 0.00 0.24 -0.65 -1.43 118.33 112.90 1uga n VAL 135 Ca 0.13 0.31 0.10 0.00 -2.04 0.00 0.00 64.34 62.85 1uga n VAL 135 Cb 0.07 -1.20 0.34 0.00 -1.47 0.00 0.00 33.84 31.58 1uga n VAL 135 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1uga n GLN 136 N -1.41 3.20 -4.58 7.34 1.13 -0.76 -4.65 117.38 117.65 1uga n GLN 136 Ca 0.02 -2.71 -0.24 0.00 -1.94 0.00 0.00 57.00 52.13 1uga n GLN 136 Cb 0.07 -1.73 -0.14 0.00 0.11 0.00 0.00 30.24 28.55 1uga n GLN 136 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 1uga s GLN 137 N -1.45 1.28 0.54 -1.09 -1.52 -0.51 -5.03 119.66 111.87 1uga s GLN 137 Ca 0.49 -0.88 0.26 0.00 -1.95 0.00 0.00 55.36 53.28 1uga s GLN 137 Cb 0.29 -1.36 1.54 0.00 -0.22 0.00 0.00 33.01 33.26 1uga s GLN 137 CO 0.28 0.35 2.14 -1.00 -0.25 0.00 0.00 175.29 176.81 1uga h PRO 138 N 4.92 0.00 -0.25 2.91 0.13 -1.86 -1.42 132.00 136.43 1uga h PRO 138 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1uga h PRO 138 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1uga h PRO 138 CO 0.44 0.07 0.00 -0.40 -0.23 0.00 0.00 178.00 177.88 1uga n ASP 139 N -3.84 3.78 -0.25 1.44 5.75 -1.26 -4.20 116.55 117.96 1uga n ASP 139 Ca -0.02 -2.98 -0.03 0.00 -0.01 0.00 0.00 54.79 51.74 1uga n ASP 139 Cb 0.17 -0.53 0.14 0.00 -1.03 0.00 0.00 41.12 39.87 1uga n ASP 139 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1uga h GLY 140 N 1.73 1.16 -2.80 6.12 0.00 -1.18 -3.43 103.07 104.67 1uga h GLY 140 Ca 0.00 -0.57 -0.44 0.00 0.00 0.00 0.00 47.33 46.32 1uga h GLY 140 CO 0.20 0.54 -0.74 1.08 0.00 0.00 0.00 176.54 177.62 1uga s LEU 141 N -9.71 2.52 -0.08 3.11 1.43 -0.23 -1.01 118.68 114.71 1uga s LEU 141 Ca -0.12 -0.97 -0.02 0.00 -1.03 0.00 0.00 54.13 52.00 1uga s LEU 141 Cb 0.16 -0.65 0.03 0.00 0.03 0.00 0.00 46.19 45.77 1uga s LEU 141 CO 0.82 -0.17 0.01 0.00 0.23 0.00 0.00 176.35 177.24 1uga s ALA 142 N -2.79 0.73 -0.13 4.21 0.00 -0.28 -1.56 121.76 121.94 1uga s ALA 142 Ca 0.19 -0.18 0.01 0.00 0.00 0.00 0.00 51.96 51.99 1uga s ALA 142 Cb -0.02 -0.79 -0.01 0.00 0.00 0.00 0.00 23.12 22.31 1uga s ALA 142 CO 0.06 -0.53 -0.17 0.08 0.00 0.00 0.00 175.76 175.19 1uga s VAL 143 N 1.96 2.60 -0.38 0.00 1.01 -1.01 -0.94 120.40 123.64 1uga s VAL 143 Ca 0.04 -0.81 -0.16 0.00 0.00 0.00 0.00 61.98 61.05 1uga s VAL 143 Cb -0.13 -2.06 0.00 0.00 0.00 0.00 0.00 36.38 34.19 1uga s VAL 143 CO -0.06 0.53 0.38 -0.22 0.00 0.00 0.00 175.10 175.74 1uga s LEU 144 N 0.51 4.65 -0.16 3.92 2.96 -0.27 -1.71 118.68 128.57 1uga s LEU 144 Ca -0.11 -0.45 -0.11 0.00 -0.22 0.00 0.00 54.13 53.24 1uga s LEU 144 Cb -0.16 -2.34 -0.05 0.00 0.50 0.00 0.00 46.19 44.14 1uga s LEU 144 CO 0.05 -0.44 0.19 -0.83 -1.32 0.00 0.00 176.35 174.00 1uga s GLY 145 N 1.76 2.14 -0.07 7.98 0.00 -0.18 -0.90 107.32 118.04 1uga s GLY 145 Ca 0.11 -0.59 0.02 0.00 0.00 0.00 0.00 44.72 44.26 1uga s GLY 145 CO 0.12 0.10 -0.12 -0.42 0.00 0.00 0.00 173.10 172.79 1uga s ILE 146 N -0.01 1.13 0.29 0.90 1.01 0.54 -2.04 121.20 123.02 1uga s ILE 146 Ca 0.13 -0.46 -0.28 0.00 0.00 0.00 0.00 60.65 60.05 1uga s ILE 146 Cb -0.12 -1.05 -0.10 0.00 0.01 0.00 0.00 42.46 41.20 1uga s ILE 146 CO 0.02 0.36 0.94 -0.36 0.00 0.00 0.00 174.94 175.90 1uga s PHE 147 N 0.83 3.81 -0.16 3.97 0.08 -1.26 0.04 117.98 125.28 1uga s PHE 147 Ca -0.11 1.83 -0.00 0.00 0.12 0.00 0.00 56.93 58.77 1uga s PHE 147 Cb -0.15 -2.94 -0.00 0.00 -0.57 0.00 0.00 43.02 39.35 1uga s PHE 147 CO 0.02 0.31 -0.14 -0.51 -0.10 0.00 0.00 175.22 174.80 1uga s LEU 148 N -1.71 2.54 0.12 -0.37 1.02 -0.82 -0.83 118.68 118.62 1uga s LEU 148 Ca 0.47 -0.45 0.09 0.00 0.02 0.00 0.00 54.13 54.25 1uga s LEU 148 Cb -0.21 -1.59 -0.04 0.00 0.02 0.00 0.00 46.19 44.37 1uga s LEU 148 CO 0.27 0.07 -0.17 -1.59 0.02 0.00 0.00 176.35 174.96 1uga s LYS 149 N 0.88 1.84 -0.15 1.70 -2.85 0.08 -1.86 119.74 119.37 1uga s LYS 149 Ca -0.04 -1.16 -0.26 0.00 -1.00 0.00 0.00 55.97 53.51 1uga s LYS 149 Cb -0.15 -2.14 -0.02 0.00 -2.06 0.00 0.00 37.83 33.46 1uga s LYS 149 CO -0.01 0.48 0.85 0.08 0.10 0.00 0.00 175.35 176.86 1uga s VAL 150 N -1.18 4.87 0.00 1.79 1.01 -1.26 -0.83 120.40 124.81 1uga s VAL 150 Ca 0.19 1.69 0.00 0.00 0.00 0.00 0.00 61.98 63.86 1uga s VAL 150 Cb -0.11 -4.16 0.00 0.00 0.00 0.00 0.00 36.38 32.11 1uga s VAL 150 CO 0.11 0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.86 1uga n GLY 151 N 3.37 0.46 3.88 4.51 0.00 -0.06 -4.89 105.19 112.46 1uga n GLY 151 Ca 0.05 0.48 -0.30 0.00 0.00 0.00 0.00 46.02 46.25 1uga n GLY 151 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1uga s SER 152 N 2.00 6.49 0.50 1.61 1.04 -1.26 -4.07 113.70 120.01 1uga s SER 152 Ca 0.00 1.03 -0.23 0.00 0.48 0.00 0.00 55.95 57.22 1uga s SER 152 Cb 0.00 -2.28 -0.06 0.00 0.10 0.00 0.00 66.02 63.78 1uga s SER 152 CO 0.00 -0.36 1.39 0.00 0.98 0.00 0.00 173.24 175.25 1uga s ALA 153 N -2.33 3.01 -0.46 5.32 0.00 -1.26 -2.49 121.76 123.55 1uga s ALA 153 Ca 0.49 1.40 -0.10 0.00 0.00 0.00 0.00 51.96 53.75 1uga s ALA 153 Cb -0.10 -3.58 0.11 0.00 0.00 0.00 0.00 23.12 19.54 1uga s ALA 153 CO 0.32 -1.31 0.34 0.21 0.00 0.00 0.00 175.76 175.32 1uga s LYS 154 N -2.71 2.58 0.24 0.00 2.47 -1.23 -4.84 119.74 116.27 1uga s LYS 154 Ca 0.67 -1.66 -0.06 0.00 -1.56 0.00 0.00 55.97 53.36 1uga s LYS 154 Cb -0.42 -3.94 0.45 0.00 -1.46 0.00 0.00 37.83 32.47 1uga s LYS 154 CO 0.52 -1.14 1.67 -1.35 0.16 0.00 0.00 175.35 175.21 1uga h PRO 155 N 8.50 0.20 0.00 4.03 0.11 -1.91 -1.18 132.00 141.74 1uga h PRO 155 Ca -0.23 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.87 1uga h PRO 155 Cb 1.08 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1uga h PRO 155 CO 0.85 0.13 0.00 0.41 -0.21 0.00 0.00 178.00 179.18 1uga n GLY 156 N -1.37 -0.97 0.03 -0.55 0.00 -1.26 -1.84 105.19 99.24 1uga n GLY 156 Ca 0.14 0.16 0.11 0.00 0.00 0.00 0.00 46.02 46.44 1uga n GLY 156 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1uga n LEU 157 N -2.22 0.63 -0.33 0.99 7.94 -0.45 -4.46 117.00 119.10 1uga n LEU 157 Ca -0.00 0.01 0.03 0.00 -1.11 0.00 0.00 56.01 54.94 1uga n LEU 157 Cb 0.09 -0.14 0.22 0.00 0.53 0.00 0.00 43.42 44.11 1uga n LEU 157 CO 0.12 0.05 1.26 -0.61 -1.11 0.00 0.00 177.39 177.10 1uga h GLN 158 N 0.00 1.06 -0.71 1.96 5.75 -1.42 -1.62 115.11 120.13 1uga h GLN 158 Ca 0.00 -0.06 0.08 0.00 -0.15 0.00 0.00 58.65 58.52 1uga h GLN 158 Cb 0.67 -0.24 -0.07 0.00 1.07 0.00 0.00 27.48 28.92 1uga h GLN 158 CO 0.00 0.70 0.38 -0.22 -2.65 0.00 0.00 178.83 177.04 1uga h LYS 159 N 1.09 0.64 -0.01 1.69 3.64 -1.79 0.45 116.57 122.29 1uga h LYS 159 Ca 0.40 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.74 1uga h LYS 159 Cb 0.18 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 31.85 1uga h LYS 159 CO -0.15 0.43 0.00 0.28 -2.27 0.00 0.00 179.45 177.73 1uga h VAL 160 N 0.66 1.24 -1.01 2.00 2.07 -1.62 -2.74 116.25 116.85 1uga h VAL 160 Ca 0.34 -0.70 0.04 0.00 0.82 0.00 0.00 66.70 67.20 1uga h VAL 160 Cb 0.30 1.70 -0.06 0.00 -1.52 0.00 0.00 31.29 31.71 1uga h VAL 160 CO -0.23 0.18 0.66 0.58 0.02 0.00 0.00 177.57 178.78 1uga h VAL 161 N -0.28 1.17 -0.50 2.57 2.07 -0.70 -2.58 116.25 118.00 1uga h VAL 161 Ca 0.00 -0.43 0.02 0.00 0.82 0.00 0.00 66.70 67.11 1uga h VAL 161 Cb 0.30 -0.21 -0.03 0.00 -1.52 0.00 0.00 31.29 29.82 1uga h VAL 161 CO 0.00 0.23 0.30 0.44 0.02 0.00 0.00 177.57 178.56 1uga h ASP 162 N 1.27 0.48 0.81 0.57 3.32 0.04 -2.98 116.42 119.92 1uga h ASP 162 Ca 0.40 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.46 1uga h ASP 162 Cb 0.02 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.47 1uga h ASP 162 CO -0.13 0.34 0.00 0.55 -1.72 0.00 0.00 179.24 178.28 1uga n VAL 163 N -4.81 0.33 -0.14 -1.35 3.14 -0.98 -4.12 118.33 110.39 1uga n VAL 163 Ca 0.03 0.08 0.10 0.00 -2.96 0.00 0.00 64.34 61.60 1uga n VAL 163 Cb 0.07 -0.67 0.44 0.00 -1.06 0.00 0.00 33.84 32.62 1uga n VAL 163 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 1uga h LEU 164 N 0.00 0.50 -2.17 6.55 3.38 -1.42 -2.09 115.31 120.06 1uga h LEU 164 Ca 0.00 0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.03 1uga h LEU 164 Cb 0.40 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1uga h LEU 164 CO 0.00 0.30 0.14 0.44 0.09 0.00 0.00 178.44 179.41 1uga h ASP 165 N 0.55 0.00 1.34 -0.43 3.32 -1.81 -1.54 116.42 117.85 1uga h ASP 165 Ca 0.32 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.37 1uga h ASP 165 Cb 0.50 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.05 1uga h ASP 165 CO -0.10 0.00 -0.05 -1.54 -1.72 0.00 0.00 179.24 175.82 1uga n SER 166 N -4.11 0.68 -2.16 6.45 3.41 -0.79 -3.65 113.62 113.45 1uga n SER 166 Ca 0.01 0.52 -0.17 0.00 -0.26 0.00 0.00 58.87 58.97 1uga n SER 166 Cb 0.26 -0.66 0.03 0.00 -0.26 0.00 0.00 64.21 63.59 1uga n SER 166 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1uga n ILE 167 N -2.12 2.18 -0.35 -1.33 -5.35 -0.59 -4.67 119.36 107.12 1uga n ILE 167 Ca 0.06 -3.82 0.04 0.00 -0.27 0.00 0.00 62.75 58.75 1uga n ILE 167 Cb 0.42 -0.48 0.20 0.00 -1.74 0.00 0.00 39.64 38.04 1uga n ILE 167 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1uga h LYS 168 N 2.23 1.09 -6.18 6.28 3.64 -1.59 -3.42 116.57 118.61 1uga h LYS 168 Ca 0.22 -0.07 -0.52 0.00 -1.27 0.00 0.00 60.65 59.01 1uga h LYS 168 Cb 1.46 -0.25 -0.06 0.00 -0.41 0.00 0.00 32.23 32.97 1uga h LYS 168 CO 0.58 0.72 -0.55 0.95 -2.27 0.00 0.00 179.45 178.88 1uga s THR 169 N -5.99 3.80 0.02 1.00 -4.23 -1.26 -0.26 115.64 108.71 1uga s THR 169 Ca -0.12 -1.59 -0.34 0.00 -1.18 0.00 0.00 61.69 58.46 1uga s THR 169 Cb 0.20 -3.15 -0.13 0.00 1.34 0.00 0.00 72.50 70.77 1uga s THR 169 CO 0.81 -0.30 1.72 1.17 -0.54 0.00 0.00 174.62 177.48 1uga n LYS 170 N -1.13 2.08 0.00 3.99 4.81 0.85 -2.13 118.16 126.63 1uga n LYS 170 Ca -0.06 0.76 0.00 0.00 -0.87 0.00 0.00 58.31 58.14 1uga n LYS 170 Cb 0.59 -2.55 0.00 0.00 0.02 0.00 0.00 35.03 33.09 1uga n LYS 170 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1uga n GLY 171 N 3.88 3.12 3.80 3.14 0.00 43.72 -4.49 105.19 158.35 1uga n GLY 171 Ca 0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.90 1uga n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1uga s LYS 172 N -0.80 3.09 0.09 1.61 1.02 -0.91 -4.83 119.74 119.01 1uga s LYS 172 Ca 0.00 1.21 -0.20 0.00 0.02 0.00 0.00 55.97 57.00 1uga s LYS 172 Cb 0.00 -2.00 0.05 0.00 -0.52 0.00 0.00 37.83 35.36 1uga s LYS 172 CO 0.00 -1.00 0.49 -1.54 -0.92 0.00 0.00 175.35 172.38 1uga s SER 173 N -2.91 -0.39 0.02 2.83 1.04 -1.26 -0.81 113.70 112.22 1uga s SER 173 Ca 0.63 -0.02 -0.07 0.00 0.48 0.00 0.00 55.95 56.98 1uga s SER 173 Cb -0.17 0.50 -0.00 0.00 0.10 0.00 0.00 66.02 66.45 1uga s SER 173 CO 0.41 -0.80 0.12 0.00 0.98 0.00 0.00 173.24 173.96 1uga s ALA 174 N -3.08 -0.21 0.20 5.32 0.00 -0.25 -4.91 121.76 118.82 1uga s ALA 174 Ca -0.02 -0.33 -0.31 0.00 0.00 0.00 0.00 51.96 51.30 1uga s ALA 174 Cb 0.00 0.19 -0.10 0.00 0.00 0.00 0.00 23.12 23.20 1uga s ALA 174 CO -0.07 -0.27 1.56 -0.51 0.00 0.00 0.00 175.76 176.47 1uga s ASP 175 N -1.76 6.56 -0.40 0.00 1.01 -1.26 -1.68 116.67 119.14 1uga s ASP 175 Ca -0.10 2.68 0.06 0.00 0.71 0.00 0.00 52.55 55.90 1uga s ASP 175 Cb -0.04 -2.60 0.21 0.00 1.01 0.00 0.00 42.92 41.49 1uga s ASP 175 CO -0.02 -0.82 0.43 0.33 0.21 0.00 0.00 175.17 175.30 1uga n PHE 176 N 3.48 -0.67 -3.11 4.23 7.35 0.24 -4.79 117.46 124.18 1uga n PHE 176 Ca 0.12 -3.42 -0.23 0.00 -0.76 0.00 0.00 57.45 53.16 1uga n PHE 176 Cb 0.38 -0.03 0.00 0.00 0.35 0.00 0.00 39.48 40.19 1uga n PHE 176 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1uga s THR 177 N -0.54 4.23 -1.45 -2.13 -4.23 -1.25 -2.99 115.64 107.27 1uga s THR 177 Ca 0.34 -0.54 -0.05 0.00 -1.18 0.00 0.00 61.69 60.26 1uga s THR 177 Cb 0.10 -3.55 0.02 0.00 1.34 0.00 0.00 72.50 70.42 1uga s THR 177 CO -0.16 -0.36 0.43 0.59 -0.54 0.00 0.00 174.62 174.58 1uga n ASN 178 N -1.97 -5.18 -4.80 3.99 5.03 -1.25 -4.95 115.26 106.12 1uga n ASN 178 Ca -0.00 -0.22 -0.38 0.00 0.87 0.00 0.00 54.58 54.85 1uga n ASN 178 Cb 0.57 -4.25 -0.06 0.00 -1.02 0.00 0.00 39.78 35.03 1uga n ASN 178 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.26 175.55 1uga s PHE 179 N -3.03 3.64 -0.41 3.10 5.36 -1.26 -5.03 117.98 120.36 1uga s PHE 179 Ca 0.25 0.89 -0.14 0.00 -0.96 0.00 0.00 56.93 56.97 1uga s PHE 179 Cb -0.12 -2.32 0.03 0.00 -0.34 0.00 0.00 43.02 40.28 1uga s PHE 179 CO 0.31 0.51 0.29 0.34 -1.46 0.00 0.00 175.22 175.21 1uga s ASP 180 N -0.56 5.98 0.37 6.13 -1.08 -1.26 -4.56 116.67 121.69 1uga s ASP 180 Ca 0.22 -1.03 0.27 0.00 -0.52 0.00 0.00 52.55 51.50 1uga s ASP 180 Cb -0.16 -2.12 1.21 0.00 -1.46 0.00 0.00 42.92 40.40 1uga s ASP 180 CO 0.11 -0.47 1.82 1.55 0.52 0.00 0.00 175.17 178.70 1uga h PRO 181 N 8.58 0.00 0.00 4.34 0.13 -1.97 -2.70 132.00 140.38 1uga h PRO 181 Ca -0.26 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1uga h PRO 181 Cb 1.11 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.24 1uga h PRO 181 CO 0.74 0.00 -0.02 0.00 -0.23 0.00 0.00 178.00 178.49 1uga h ARG 182 N 0.00 0.00 0.00 0.86 3.08 -1.93 -1.48 114.38 114.91 1uga h ARG 182 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1uga h ARG 182 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.37 1uga h ARG 182 CO 0.00 0.02 0.00 0.41 -1.07 0.00 0.00 179.97 179.33 1uga n GLY 183 N -0.82 -1.02 0.68 0.04 0.00 -1.02 -2.42 105.19 100.63 1uga n GLY 183 Ca -0.02 -0.10 0.11 0.00 0.00 0.00 0.00 46.02 46.01 1uga n GLY 183 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1uga n LEU 184 N -1.30 2.39 -4.77 0.99 4.77 -0.56 -4.36 117.00 114.16 1uga n LEU 184 Ca 0.10 -0.88 -0.39 0.00 -0.03 0.00 0.00 56.01 54.80 1uga n LEU 184 Cb 0.18 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.21 1uga n LEU 184 CO 0.17 0.42 0.44 -0.76 -1.33 0.00 0.00 177.39 176.33 1uga s LEU 185 N -2.10 4.54 0.94 2.23 1.43 -1.02 -4.92 118.68 119.77 1uga s LEU 185 Ca 0.21 1.52 -0.14 0.00 -1.03 0.00 0.00 54.13 54.69 1uga s LEU 185 Cb 0.18 -3.21 0.16 0.00 0.03 0.00 0.00 46.19 43.35 1uga s LEU 185 CO 0.40 0.16 1.21 -2.16 0.23 0.00 0.00 176.35 176.19 1uga s PRO 186 N -0.77 0.90 0.42 1.29 0.04 -1.26 -4.97 135.00 130.64 1uga s PRO 186 Ca 0.35 -0.04 0.24 0.00 0.04 0.00 0.00 61.00 61.59 1uga s PRO 186 Cb -0.22 -1.84 0.41 0.00 0.04 0.00 0.00 34.50 32.89 1uga s PRO 186 CO 0.24 -2.30 1.63 1.05 0.04 0.00 0.00 177.00 177.67 1uga h GLU 187 N -1.56 0.00 -5.92 4.56 4.11 -1.94 -3.44 114.58 110.39 1uga h GLU 187 Ca -0.47 0.00 -0.66 0.00 0.07 0.00 0.00 59.36 58.30 1uga h GLU 187 Cb 1.29 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.44 1uga h GLU 187 CO 0.51 0.00 -0.56 0.45 0.07 0.00 0.00 179.01 179.48 1uga s SER 188 N -6.02 5.75 -0.20 3.06 0.15 -1.26 -5.00 113.70 110.17 1uga s SER 188 Ca 0.07 0.22 0.15 0.00 0.70 0.00 0.00 55.95 57.09 1uga s SER 188 Cb 0.06 -1.70 0.57 0.00 -1.71 0.00 0.00 66.02 63.24 1uga s SER 188 CO 0.66 0.32 1.48 0.18 1.20 0.00 0.00 173.24 177.08 1uga n LEU 189 N 1.52 4.22 -4.77 3.45 4.77 -1.26 -4.76 117.00 120.17 1uga n LEU 189 Ca -0.15 -3.09 -0.38 0.00 -0.03 0.00 0.00 56.01 52.36 1uga n LEU 189 Cb 0.53 -0.58 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 1uga n LEU 189 CO 0.35 0.73 0.89 -1.81 -1.33 0.00 0.00 177.39 176.21 1uga s ASP 190 N -1.83 6.06 0.27 -1.43 1.01 -1.26 -4.73 116.67 114.76 1uga s ASP 190 Ca 0.44 2.47 -0.16 0.00 0.71 0.00 0.00 52.55 56.02 1uga s ASP 190 Cb 0.36 -2.62 0.01 0.00 1.01 0.00 0.00 42.92 41.68 1uga s ASP 190 CO 0.09 -1.00 0.58 -0.72 0.21 0.00 0.00 175.17 174.33 1uga s TYR 191 N -1.42 0.18 0.08 4.23 -0.85 -1.26 -1.42 117.35 116.88 1uga s TYR 191 Ca 0.63 -0.58 0.08 0.00 -0.52 0.00 0.00 57.07 56.67 1uga s TYR 191 Cb -0.33 0.40 -0.04 0.00 0.38 0.00 0.00 41.96 42.37 1uga s TYR 191 CO 0.41 -1.11 -0.17 -1.58 -1.52 0.00 0.00 175.55 171.57 1uga s TRP 192 N -3.87 2.57 -0.05 -3.49 0.51 -0.07 -1.12 118.94 113.42 1uga s TRP 192 Ca 0.18 -0.24 -0.04 0.00 -2.12 0.00 0.00 56.10 53.88 1uga s TRP 192 Cb -0.03 -1.41 0.01 0.00 -0.81 0.00 0.00 33.47 31.23 1uga s TRP 192 CO 0.09 0.33 0.12 -0.08 -0.51 0.00 0.00 176.95 176.90 1uga s THR 193 N -1.05 -0.00 0.04 2.01 -1.32 0.55 -1.53 115.64 114.35 1uga s THR 193 Ca 0.17 0.01 -0.26 0.00 -1.21 0.00 0.00 61.69 60.39 1uga s THR 193 Cb -0.11 -0.18 0.07 0.00 -1.51 0.00 0.00 72.50 70.77 1uga s THR 193 CO 0.08 0.00 0.62 -0.72 -2.21 0.00 0.00 174.62 172.39 1uga s TYR 194 N 0.10 -0.57 0.01 9.09 1.13 -1.13 -0.92 117.35 125.07 1uga s TYR 194 Ca -0.00 0.71 -0.29 0.00 -1.41 0.00 0.00 57.07 56.08 1uga s TYR 194 Cb -0.01 0.45 -0.04 0.00 -1.10 0.00 0.00 41.96 41.26 1uga s TYR 194 CO -0.00 -0.70 0.93 -1.25 -2.51 0.00 0.00 175.55 172.02 1uga s PRO 195 N -2.33 4.56 0.00 -3.49 0.04 -1.26 -1.12 135.00 131.39 1uga s PRO 195 Ca -0.06 1.33 0.00 0.00 0.04 0.00 0.00 61.00 62.31 1uga s PRO 195 Cb -0.01 -3.44 0.00 0.00 0.04 0.00 0.00 34.50 31.09 1uga s PRO 195 CO -0.00 0.02 0.00 0.41 0.04 0.00 0.00 177.00 177.47 1uga n GLY 196 N 2.81 4.71 3.29 0.56 0.00 0.13 -4.85 105.19 111.83 1uga n GLY 196 Ca 0.04 -0.78 -0.19 0.00 0.00 0.00 0.00 46.02 45.09 1uga n GLY 196 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1uga s SER 197 N 1.41 1.62 0.34 1.61 1.04 -1.01 -2.27 113.70 116.43 1uga s SER 197 Ca 0.00 -1.72 -0.27 0.00 0.48 0.00 0.00 55.95 54.44 1uga s SER 197 Cb 0.00 0.54 -0.09 0.00 0.10 0.00 0.00 66.02 66.57 1uga s SER 197 CO 0.00 -1.03 1.12 -0.76 0.98 0.00 0.00 173.24 173.54 1uga s LEU 198 N -3.37 4.37 0.00 2.42 1.43 -0.74 -4.46 118.68 118.33 1uga s LEU 198 Ca 0.39 2.26 0.29 0.00 -1.03 0.00 0.00 54.13 56.05 1uga s LEU 198 Cb 0.03 -3.84 1.28 0.00 0.03 0.00 0.00 46.19 43.68 1uga s LEU 198 CO 0.25 -0.37 1.87 0.35 0.23 0.00 0.00 176.35 178.69 1uga n THR 199 N 0.63 0.00 -4.25 5.49 -2.24 -1.26 -4.42 114.28 108.22 1uga n THR 199 Ca 0.02 -0.16 -0.18 0.00 -2.27 0.00 0.00 64.05 61.46 1uga n THR 199 Cb 0.46 0.18 -0.11 0.00 -2.10 0.00 0.00 70.33 68.77 1uga n THR 199 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1uga s THR 200 N -2.06 1.34 0.45 4.28 -4.23 -1.26 -4.80 115.64 109.36 1uga s THR 200 Ca 0.39 -1.77 -0.22 0.00 -1.18 0.00 0.00 61.69 58.91 1uga s THR 200 Cb 0.21 -1.58 -0.11 0.00 1.34 0.00 0.00 72.50 72.36 1uga s THR 200 CO 0.36 -0.45 0.74 -2.65 -0.54 0.00 0.00 174.62 172.08 1uga n PRO 201 N 0.43 0.85 0.00 3.99 -0.02 -1.26 -0.60 135.00 138.39 1uga n PRO 201 Ca -0.15 0.31 0.08 0.00 -2.02 0.00 0.00 63.50 61.72 1uga n PRO 201 Cb 0.57 -1.76 0.47 0.00 -0.02 0.00 0.00 33.50 32.76 1uga n PRO 201 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1uga n PRO 202 N 0.23 0.56 -3.28 0.52 -0.04 -1.26 -4.98 135.00 126.75 1uga n PRO 202 Ca 0.11 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.34 1uga n PRO 202 Cb 0.41 -1.44 0.05 0.00 -0.04 0.00 0.00 33.50 32.48 1uga n PRO 202 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1uga n LEU 203 N -0.94 -2.94 -4.77 1.53 4.77 0.23 -4.86 117.00 110.02 1uga n LEU 203 Ca 0.12 -0.40 -0.39 0.00 -0.03 0.00 0.00 56.01 55.30 1uga n LEU 203 Cb 0.05 -2.97 -0.01 0.00 -2.33 0.00 0.00 43.42 38.16 1uga n LEU 203 CO 0.09 0.40 0.95 -0.76 -1.33 0.00 0.00 177.39 176.74 1uga s LEU 204 N -6.95 4.24 -1.23 2.23 1.43 -1.26 -4.48 118.68 112.65 1uga s LEU 204 Ca 0.43 2.63 -0.08 0.00 -1.03 0.00 0.00 54.13 56.08 1uga s LEU 204 Cb -0.19 -3.88 0.20 0.00 0.03 0.00 0.00 46.19 42.35 1uga s LEU 204 CO 0.53 -0.79 1.82 -0.62 0.23 0.00 0.00 176.35 177.52 1uga n GLU 205 N 0.21 3.91 -0.03 1.70 1.02 -1.26 -1.79 120.64 124.39 1uga n GLU 205 Ca 0.03 -3.77 0.01 0.00 -0.02 0.00 0.00 57.16 53.41 1uga n GLU 205 Cb 0.44 -2.80 0.02 0.00 -0.02 0.00 0.00 31.44 29.07 1uga n GLU 205 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1uga s VAL 207 N -1.00 4.34 -0.35 0.00 1.01 -0.96 -1.06 120.40 122.37 1uga s VAL 207 Ca 0.05 -0.23 -0.08 0.00 0.00 0.00 0.00 61.98 61.71 1uga s VAL 207 Cb 0.04 -2.83 0.03 0.00 0.00 0.00 0.00 36.38 33.62 1uga s VAL 207 CO 0.00 0.60 0.14 -0.89 0.00 0.00 0.00 175.10 174.96 1uga s THR 208 N -0.86 4.12 0.10 3.92 2.01 -0.60 0.19 115.64 124.52 1uga s THR 208 Ca 0.13 -0.96 -0.25 0.00 0.31 0.00 0.00 61.69 60.91 1uga s THR 208 Cb -0.11 -3.29 -0.07 0.00 0.01 0.00 0.00 72.50 69.04 1uga s THR 208 CO 0.02 -0.16 0.77 0.26 -0.69 0.00 0.00 174.62 174.82 1uga s TRP 209 N 1.47 3.82 -0.40 4.92 0.52 -0.28 -2.42 118.94 126.58 1uga s TRP 209 Ca 0.00 1.55 0.01 0.00 0.02 0.00 0.00 56.10 57.68 1uga s TRP 209 Cb -0.19 -2.79 0.12 0.00 -1.15 0.00 0.00 33.47 29.47 1uga s TRP 209 CO 0.04 0.39 0.19 0.42 0.02 0.00 0.00 176.95 178.02 1uga s ILE 210 N -0.59 1.25 -0.26 2.03 1.01 -0.69 -2.85 121.20 121.10 1uga s ILE 210 Ca 0.37 -2.21 -0.14 0.00 0.00 0.00 0.00 60.65 58.67 1uga s ILE 210 Cb -0.22 -1.90 -0.04 0.00 0.01 0.00 0.00 42.46 40.31 1uga s ILE 210 CO 0.24 -0.83 0.33 -0.69 0.00 0.00 0.00 174.94 174.00 1uga s VAL 211 N 0.73 5.21 0.40 2.92 1.01 -0.58 -1.01 120.40 129.08 1uga s VAL 211 Ca 0.15 0.49 -0.24 0.00 0.00 0.00 0.00 61.98 62.39 1uga s VAL 211 Cb -0.22 -3.66 -0.09 0.00 0.00 0.00 0.00 36.38 32.40 1uga s VAL 211 CO -0.06 0.20 1.01 -0.76 0.00 0.00 0.00 175.10 175.49 1uga s LEU 212 N 1.83 4.12 0.04 3.92 1.43 -0.87 -0.89 118.68 128.26 1uga s LEU 212 Ca 0.14 1.94 -0.18 0.00 -1.03 0.00 0.00 54.13 54.99 1uga s LEU 212 Cb -0.15 -4.24 -0.16 0.00 0.03 0.00 0.00 46.19 41.66 1uga s LEU 212 CO 0.09 -0.42 1.26 0.50 0.23 0.00 0.00 176.35 178.02 1uga h LYS 213 N 2.45 0.49 -5.86 1.70 3.64 -1.58 -3.44 116.57 113.96 1uga h LYS 213 Ca -0.48 -0.35 -0.59 0.00 -1.27 0.00 0.00 60.65 57.96 1uga h LYS 213 Cb 1.21 0.06 -0.08 0.00 -0.41 0.00 0.00 32.23 33.00 1uga h LYS 213 CO 0.62 0.97 0.54 -2.00 -2.27 0.00 0.00 179.45 177.32 1uga s GLU 214 N -3.86 4.18 0.58 1.90 2.12 -1.26 -5.01 118.70 117.35 1uga s GLU 214 Ca -0.13 1.01 -0.07 0.00 0.36 0.00 0.00 54.97 56.14 1uga s GLU 214 Cb 0.06 -3.65 -0.00 0.00 0.26 0.00 0.00 34.13 30.79 1uga s GLU 214 CO 0.81 -0.56 0.91 -1.25 -0.54 0.00 0.00 175.26 174.62 1uga s PRO 215 N 2.95 3.08 0.07 4.30 0.04 -1.26 -4.68 135.00 139.50 1uga s PRO 215 Ca 0.37 0.13 0.02 0.00 0.04 0.00 0.00 61.00 61.56 1uga s PRO 215 Cb -0.15 -2.25 -0.04 0.00 0.04 0.00 0.00 34.50 32.09 1uga s PRO 215 CO 0.08 -0.63 0.14 0.96 0.04 0.00 0.00 177.00 177.59 1uga s ILE 216 N -2.99 4.95 -0.11 0.56 -4.36 -0.01 -4.92 121.20 114.31 1uga s ILE 216 Ca 0.53 -0.59 -0.08 0.00 -0.26 0.00 0.00 60.65 60.25 1uga s ILE 216 Cb -0.11 -3.40 -0.04 0.00 1.25 0.00 0.00 42.46 40.16 1uga s ILE 216 CO 0.46 0.13 0.18 -0.44 0.24 0.00 0.00 174.94 175.51 1uga s SER 217 N -2.46 6.43 0.12 4.36 0.01 -1.26 -0.75 113.70 120.15 1uga s SER 217 Ca 0.32 0.52 0.05 0.00 1.31 0.00 0.00 55.95 58.15 1uga s SER 217 Cb -0.13 -2.10 -0.04 0.00 0.21 0.00 0.00 66.02 63.97 1uga s SER 217 CO 0.25 0.38 -0.12 0.68 0.41 0.00 0.00 173.24 174.84 1uga s VAL 218 N -0.92 1.15 0.50 3.43 -7.23 -0.01 -3.48 120.40 113.84 1uga s VAL 218 Ca 0.16 -1.75 -0.11 0.00 -1.81 0.00 0.00 61.98 58.47 1uga s VAL 218 Cb -0.13 -1.51 -0.06 0.00 0.56 0.00 0.00 36.38 35.24 1uga s VAL 218 CO 0.05 -0.53 0.90 -0.94 -0.31 0.00 0.00 175.10 174.27 1uga s SER 219 N -2.57 6.43 0.28 4.85 1.04 -1.21 -0.88 113.70 121.64 1uga s SER 219 Ca 0.09 1.30 0.02 0.00 0.48 0.00 0.00 55.95 57.83 1uga s SER 219 Cb -0.03 -2.40 0.60 0.00 0.10 0.00 0.00 66.02 64.29 1uga s SER 219 CO 0.01 -0.60 1.79 -1.28 0.98 0.00 0.00 173.24 174.14 1uga h SER 220 N 0.58 0.75 -0.31 7.02 0.87 -1.94 -0.73 113.55 119.78 1uga h SER 220 Ca -0.46 0.08 -0.02 0.00 -1.23 0.00 0.00 61.79 60.16 1uga h SER 220 Cb 1.19 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 63.08 1uga h SER 220 CO 0.62 0.33 0.12 -0.33 -0.53 0.00 0.00 176.83 177.05 1uga h GLU 221 N 0.79 0.47 0.23 2.24 3.07 -1.96 0.22 114.58 119.64 1uga h GLU 221 Ca 0.51 -0.09 -0.00 0.00 -0.50 0.00 0.00 59.36 59.28 1uga h GLU 221 Cb 0.67 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.49 1uga h GLU 221 CO -0.33 0.48 -0.19 1.96 -1.40 0.00 0.00 179.01 179.52 1uga h GLN 222 N 0.36 -0.42 -0.86 2.33 4.20 -1.61 -2.72 115.11 116.38 1uga h GLN 222 Ca 0.10 0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.85 1uga h GLN 222 Cb 0.19 0.10 -0.04 0.00 0.30 0.00 0.00 27.48 28.02 1uga h GLN 222 CO -0.01 -0.28 0.55 0.28 -0.67 0.00 0.00 178.83 178.71 1uga h VAL 223 N -0.44 1.23 -0.72 -0.54 2.07 -1.02 -2.55 116.25 114.28 1uga h VAL 223 Ca -0.01 -0.43 0.12 0.00 0.82 0.00 0.00 66.70 67.20 1uga h VAL 223 Cb 0.40 -0.03 -0.05 0.00 -1.52 0.00 0.00 31.29 30.09 1uga h VAL 223 CO -0.03 0.22 0.48 -0.07 0.02 0.00 0.00 177.57 178.19 1uga h LEU 224 N 1.17 0.45 -0.90 2.57 3.38 -0.25 -1.19 115.31 120.54 1uga h LEU 224 Ca 0.31 0.02 -0.11 0.00 0.09 0.00 0.00 57.88 58.19 1uga h LEU 224 Cb -0.11 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 1uga h LEU 224 CO -0.07 0.26 -0.54 0.11 0.09 0.00 0.00 178.44 178.29 1uga h LYS 225 N 0.49 0.00 -0.67 1.13 1.57 -1.25 -2.64 116.57 115.21 1uga h LYS 225 Ca 0.34 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.12 1uga h LYS 225 Cb 0.65 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.93 1uga h LYS 225 CO -0.11 0.54 0.40 0.74 -0.57 0.00 0.00 179.45 180.44 1uga h PHE 226 N 0.00 0.89 0.00 -1.35 -1.00 -1.27 -2.47 116.94 111.74 1uga h PHE 226 Ca -0.01 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.77 1uga h PHE 226 Cb 0.97 -0.29 0.00 0.00 3.61 0.00 0.00 35.95 40.24 1uga h PHE 226 CO 0.00 0.61 0.00 0.54 -1.61 0.00 0.00 178.31 177.85 1uga n ARG 227 N -4.56 0.02 0.00 1.51 1.74 -1.00 -2.21 116.66 112.16 1uga n ARG 227 Ca 0.05 0.35 0.13 0.00 -0.77 0.00 0.00 57.85 57.61 1uga n ARG 227 Cb 0.06 -1.50 0.29 0.00 -1.02 0.00 0.00 32.46 30.29 1uga n ARG 227 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1uga n LYS 228 N -1.46 2.01 -1.30 5.56 5.02 -0.93 -4.35 118.16 122.71 1uga n LYS 228 Ca 0.02 -1.48 -0.30 0.00 -2.02 0.00 0.00 58.31 54.53 1uga n LYS 228 Cb 0.08 -1.47 0.10 0.00 -0.02 0.00 0.00 35.03 33.72 1uga n LYS 228 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1uga s LEU 229 N -2.01 2.75 -0.02 -0.35 1.43 -0.94 -4.85 118.68 114.70 1uga s LEU 229 Ca 0.32 1.64 0.07 0.00 -1.03 0.00 0.00 54.13 55.14 1uga s LEU 229 Cb 0.20 -4.26 -0.02 0.00 0.03 0.00 0.00 46.19 42.14 1uga s LEU 229 CO 0.32 -2.16 -0.22 0.20 0.23 0.00 0.00 176.35 174.72 1uga s ASN 230 N -3.50 3.37 0.04 2.29 0.02 0.64 0.17 114.94 117.97 1uga s ASN 230 Ca 0.61 -0.40 -0.17 0.00 -1.02 0.00 0.00 52.86 51.88 1uga s ASN 230 Cb -0.17 -0.49 -0.25 0.00 0.02 0.00 0.00 41.25 40.36 1uga s ASN 230 CO 0.56 0.32 1.11 -0.26 0.02 0.00 0.00 177.10 178.85 1uga h PHE 231 N 5.35 0.85 -4.08 2.20 0.04 -1.38 -3.34 116.94 116.58 1uga h PHE 231 Ca -0.44 -0.49 -0.49 0.00 2.80 0.00 0.00 57.97 59.34 1uga h PHE 231 Cb 1.13 -0.08 0.16 0.00 2.20 0.00 0.00 35.95 39.36 1uga h PHE 231 CO 0.43 1.33 0.24 0.54 -0.60 0.00 0.00 178.31 180.25 1uga s ASN 232 N -7.11 3.34 0.60 2.17 4.22 -1.26 -4.31 114.94 112.59 1uga s ASN 232 Ca -0.11 1.68 -0.05 0.00 -2.14 0.00 0.00 52.86 52.25 1uga s ASN 232 Cb 0.05 -2.33 0.02 0.00 1.28 0.00 0.00 41.25 40.27 1uga s ASN 232 CO 0.88 -2.75 0.89 -0.83 -2.04 0.00 0.00 177.10 173.25 1uga s GLY 233 N -3.19 1.64 0.37 0.45 0.00 -1.26 -0.92 107.32 104.41 1uga s GLY 233 Ca 0.64 -0.85 -0.28 0.00 0.00 0.00 0.00 44.72 44.24 1uga s GLY 233 CO 0.58 -0.55 1.36 -2.21 0.00 0.00 0.00 173.10 172.28 1uga n GLU 234 N -2.58 2.29 0.00 2.90 2.13 -1.26 -1.70 120.64 122.43 1uga n GLU 234 Ca 0.05 0.80 0.00 0.00 0.66 0.00 0.00 57.16 58.68 1uga n GLU 234 Cb 0.58 -2.46 0.00 0.00 0.27 0.00 0.00 31.44 29.83 1uga n GLU 234 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1uga n GLY 235 N 0.66 2.79 3.93 8.31 0.00 -1.26 -4.99 105.19 114.62 1uga n GLY 235 Ca 0.04 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.80 1uga n GLY 235 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1uga s GLU 236 N 0.00 2.96 0.19 1.61 2.02 -0.69 -5.01 118.70 119.79 1uga s GLU 236 Ca 0.00 -0.13 -0.33 0.00 0.02 0.00 0.00 54.97 54.53 1uga s GLU 236 Cb 0.00 -2.35 -0.13 0.00 0.10 0.00 0.00 34.13 31.75 1uga s GLU 236 CO 0.00 -0.59 1.65 -2.30 0.02 0.00 0.00 175.26 174.04 1uga n PRO 237 N -2.45 2.48 -1.83 0.39 -0.02 -1.26 -4.85 135.00 127.45 1uga n PRO 237 Ca 0.04 0.89 -0.42 0.00 -2.02 0.00 0.00 63.50 61.99 1uga n PRO 237 Cb 0.58 -2.70 -0.03 0.00 -0.02 0.00 0.00 33.50 31.33 1uga n PRO 237 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1uga s GLU 238 N 0.94 4.17 -0.25 -0.52 2.12 -1.26 -4.76 118.70 119.14 1uga s GLU 238 Ca 0.76 2.44 -0.01 0.00 0.36 0.00 0.00 54.97 58.52 1uga s GLU 238 Cb -0.59 -3.72 0.07 0.00 0.26 0.00 0.00 34.13 30.16 1uga s GLU 238 CO 0.36 -0.81 0.04 -2.00 -0.54 0.00 0.00 175.26 172.31 1uga s GLU 239 N 3.08 0.88 0.40 4.30 2.12 -1.26 -5.05 118.70 123.16 1uga s GLU 239 Ca 0.78 -0.78 -0.27 0.00 0.36 0.00 0.00 54.97 55.06 1uga s GLU 239 Cb -0.42 -2.18 -0.10 0.00 0.26 0.00 0.00 34.13 31.70 1uga s GLU 239 CO 0.35 -0.76 1.44 1.28 -0.54 0.00 0.00 175.26 177.03 1uga n LEU 240 N 4.89 4.76 -4.50 2.70 4.77 -1.26 -1.11 117.00 127.24 1uga n LEU 240 Ca -0.07 1.18 -0.42 0.00 -0.03 0.00 0.00 56.01 56.67 1uga n LEU 240 Cb 0.45 -1.60 -0.03 0.00 -2.33 0.00 0.00 43.42 39.91 1uga n LEU 240 CO 0.13 -0.06 1.05 -0.32 -1.33 0.00 0.00 177.39 176.86 1uga s MET 241 N -2.22 3.30 0.07 3.23 -2.45 0.13 -4.63 119.30 116.73 1uga s MET 241 Ca 0.57 -0.85 -0.07 0.00 -1.25 0.00 0.00 55.69 54.09 1uga s MET 241 Cb -0.48 -4.53 -0.01 0.00 1.25 0.00 0.00 34.83 31.07 1uga s MET 241 CO 0.61 -1.98 0.14 0.14 1.05 0.00 0.00 175.02 174.98 1uga s VAL 242 N 4.52 0.16 -1.51 10.11 -7.23 -1.26 -4.47 120.40 120.71 1uga s VAL 242 Ca 0.32 -1.28 -0.11 0.00 -1.81 0.00 0.00 61.98 59.10 1uga s VAL 242 Cb -0.09 -1.31 0.08 0.00 0.56 0.00 0.00 36.38 35.62 1uga s VAL 242 CO 0.05 -0.71 0.88 0.47 -0.31 0.00 0.00 175.10 175.49 1uga n ASP 243 N 0.10 -3.80 -2.25 4.85 8.00 0.17 -4.85 116.55 118.78 1uga n ASP 243 Ca -0.15 -0.83 -0.22 0.00 0.71 0.00 0.00 54.79 54.30 1uga n ASP 243 Cb 0.62 -3.72 -0.04 0.00 -0.02 0.00 0.00 41.12 37.95 1uga n ASP 243 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1uga n ASN 244 N -2.86 6.35 -4.34 -2.24 6.94 -1.13 -4.89 115.26 113.09 1uga n ASN 244 Ca -0.03 -3.09 -0.25 0.00 -0.02 0.00 0.00 54.58 51.19 1uga n ASN 244 Cb 0.55 -1.19 -0.12 0.00 -2.36 0.00 0.00 39.78 36.66 1uga n ASN 244 CO 0.00 0.00 0.00 -1.66 -1.03 0.00 0.00 177.26 174.57 1uga s TRP 245 N -1.48 2.02 -0.15 -2.53 1.48 -1.26 -4.64 118.94 112.38 1uga s TRP 245 Ca 0.50 -0.41 -0.07 0.00 -1.06 0.00 0.00 56.10 55.06 1uga s TRP 245 Cb 0.33 -1.07 -0.04 0.00 -1.16 0.00 0.00 33.47 31.53 1uga s TRP 245 CO -0.13 0.31 0.11 0.50 -4.06 0.00 0.00 176.95 173.67 1uga s ARG 246 N -2.22 3.66 0.66 3.25 3.52 -1.26 -4.97 118.95 121.59 1uga s ARG 246 Ca 0.12 -0.23 -0.15 0.00 -0.13 0.00 0.00 55.73 55.34 1uga s ARG 246 Cb -0.09 -3.20 0.00 0.00 -1.56 0.00 0.00 34.95 30.11 1uga s ARG 246 CO 0.06 0.56 1.14 -1.25 -0.81 0.00 0.00 175.30 175.00 1uga s PRO 247 N -0.42 2.69 0.43 5.12 0.04 -1.26 -4.68 135.00 136.92 1uga s PRO 247 Ca 0.11 1.50 -0.25 0.00 0.04 0.00 0.00 61.00 62.40 1uga s PRO 247 Cb -0.12 -1.93 -0.10 0.00 0.04 0.00 0.00 34.50 32.40 1uga s PRO 247 CO 0.02 -1.35 1.25 0.00 0.04 0.00 0.00 177.00 176.95 1uga n ALA 248 N -2.38 1.21 -2.70 8.56 0.00 -1.26 -4.44 120.51 119.49 1uga n ALA 248 Ca 0.11 0.25 -0.23 0.00 0.00 0.00 0.00 53.44 53.58 1uga n ALA 248 Cb 0.51 -2.25 -0.06 0.00 0.00 0.00 0.00 19.45 17.65 1uga n ALA 248 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1uga s GLN 249 N -2.23 2.50 0.33 0.00 -1.52 0.63 -4.95 119.66 114.42 1uga s GLN 249 Ca 0.62 -1.29 -0.29 0.00 -1.95 0.00 0.00 55.36 52.45 1uga s GLN 249 Cb -0.51 -2.30 -0.11 0.00 -0.22 0.00 0.00 33.01 29.88 1uga s GLN 249 CO 0.57 0.38 1.51 -2.14 -0.25 0.00 0.00 175.29 175.37 1uga s PRO 250 N -3.70 4.14 0.23 2.91 0.02 -1.26 -4.58 135.00 132.76 1uga s PRO 250 Ca 0.32 2.54 0.05 0.00 0.02 0.00 0.00 61.00 63.93 1uga s PRO 250 Cb -0.07 -3.00 0.21 0.00 0.02 0.00 0.00 34.50 31.66 1uga s PRO 250 CO 0.21 -0.54 1.53 1.25 -0.33 0.00 0.00 177.00 179.12 1uga h LEU 251 N 3.84 0.21 0.00 -5.54 5.85 -1.95 -3.44 115.31 114.28 1uga h LEU 251 Ca -0.49 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.10 1uga h LEU 251 Cb 1.23 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.20 1uga h LEU 251 CO 0.71 0.82 0.00 0.29 -0.34 0.00 0.00 178.44 179.91 1uga n LYS 252 N -3.80 0.00 -1.19 1.25 5.02 -1.26 -3.20 118.16 114.98 1uga n LYS 252 Ca -0.02 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 55.93 1uga n LYS 252 Cb 0.66 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.63 1uga n LYS 252 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1uga n ASN 253 N 1.52 7.83 -3.87 4.39 5.15 -1.26 -4.85 115.26 124.17 1uga n ASN 253 Ca 0.00 -2.52 -0.12 0.00 -0.60 0.00 0.00 54.58 51.34 1uga n ASN 253 Cb 0.00 -1.47 -0.12 0.00 -0.53 0.00 0.00 39.78 37.65 1uga n ASN 253 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1uga s ARG 254 N 2.20 0.19 0.02 1.20 0.52 -1.19 -5.10 118.95 116.79 1uga s ARG 254 Ca 0.65 -0.06 0.07 0.00 -0.52 0.00 0.00 55.73 55.88 1uga s ARG 254 Cb 0.18 0.08 -0.03 0.00 0.52 0.00 0.00 34.95 35.71 1uga s ARG 254 CO -0.05 -0.03 -0.22 -1.14 0.02 0.00 0.00 175.30 173.88 1uga s GLN 255 N -0.38 2.05 -0.18 3.54 0.74 -1.26 -5.01 119.66 119.15 1uga s GLN 255 Ca -0.04 -0.98 -0.10 0.00 0.05 0.00 0.00 55.36 54.29 1uga s GLN 255 Cb -0.03 -2.12 -0.05 0.00 1.10 0.00 0.00 33.01 31.91 1uga s GLN 255 CO 0.00 0.55 0.15 0.42 -0.55 0.00 0.00 175.29 175.86 1uga s ILE 256 N -0.81 5.41 0.08 -2.34 1.01 -1.26 -4.71 121.20 118.58 1uga s ILE 256 Ca 0.12 0.24 0.06 0.00 0.00 0.00 0.00 60.65 61.07 1uga s ILE 256 Cb -0.10 -3.48 -0.04 0.00 0.01 0.00 0.00 42.46 38.85 1uga s ILE 256 CO 0.02 0.47 -0.06 -0.54 0.00 0.00 0.00 174.94 174.83 1uga s LYS 257 N 0.13 2.33 0.13 2.79 1.02 -0.10 -1.03 119.74 125.02 1uga s LYS 257 Ca 0.10 -0.91 0.10 0.00 0.02 0.00 0.00 55.97 55.28 1uga s LYS 257 Cb -0.11 -2.41 -0.04 0.00 -0.52 0.00 0.00 37.83 34.74 1uga s LYS 257 CO -0.00 0.54 -0.22 0.00 -0.92 0.00 0.00 175.35 174.74 1uga s ALA 258 N -1.20 2.54 -2.15 5.17 0.00 0.95 -0.33 121.76 126.74 1uga s ALA 258 Ca 0.22 -1.44 0.20 0.00 0.00 0.00 0.00 51.96 50.94 1uga s ALA 258 Cb -0.11 -0.50 0.54 0.00 0.00 0.00 0.00 23.12 23.05 1uga s ALA 258 CO 0.14 0.55 1.45 -1.13 0.00 0.00 0.00 175.76 176.77 1uga n SER 259 N 0.76 3.21 -3.99 0.00 3.41 -0.28 -1.06 113.62 115.67 1uga n SER 259 Ca -0.16 -1.97 -0.08 0.00 -0.26 0.00 0.00 58.87 56.40 1uga n SER 259 Cb 0.53 -0.35 -0.09 0.00 -0.26 0.00 0.00 64.21 64.04 1uga n SER 259 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1uga s PHE 260 N -1.31 0.35 0.00 7.33 -0.71 -1.26 -4.87 117.98 117.51 1uga s PHE 260 Ca 0.40 -0.81 0.00 0.00 -1.04 0.00 0.00 56.93 55.48 1uga s PHE 260 Cb 0.22 -0.24 0.00 0.00 -1.21 0.00 0.00 43.02 41.78 1uga s PHE 260 CO 0.29 -0.42 0.18 0.36 -1.34 0.00 0.00 175.22 174.30