#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ooy s LYS 2 N 0.00 4.12 0.08 -2.82 2.20 -0.10 -4.95 119.74 118.26 1ooy s LYS 2 Ca 0.00 -0.15 -0.14 0.00 -0.36 0.00 0.00 55.97 55.32 1ooy s LYS 2 Cb 0.00 -3.51 -0.06 0.00 -1.51 0.00 0.00 37.83 32.75 1ooy s LYS 2 CO 0.00 0.09 0.48 -0.06 -0.36 0.00 0.00 175.35 175.50 1ooy s PHE 3 N 0.95 3.67 0.13 4.03 0.40 -1.26 -0.86 117.98 125.05 1ooy s PHE 3 Ca 0.10 1.02 0.09 0.00 -0.60 0.00 0.00 56.93 57.54 1ooy s PHE 3 Cb -0.13 -2.32 -0.04 0.00 0.51 0.00 0.00 43.02 41.04 1ooy s PHE 3 CO 0.04 0.54 -0.21 0.71 0.70 0.00 0.00 175.22 177.00 1ooy s TYR 4 N -1.27 1.89 -0.47 0.36 1.51 0.88 -4.91 117.35 115.33 1ooy s TYR 4 Ca 0.31 -0.43 0.14 0.00 -1.01 0.00 0.00 57.07 56.09 1ooy s TYR 4 Cb -0.16 -1.00 -0.18 0.00 -0.11 0.00 0.00 41.96 40.52 1ooy s TYR 4 CO 0.17 0.28 0.51 0.25 -1.11 0.00 0.00 175.55 175.66 1ooy n THR 5 N 0.75 0.00 -4.08 -0.71 -2.24 -1.26 -4.24 114.28 102.50 1ooy n THR 5 Ca -0.17 -0.22 -0.30 0.00 -2.27 0.00 0.00 64.05 61.09 1ooy n THR 5 Cb 0.55 0.75 -0.16 0.00 -2.10 0.00 0.00 70.33 69.36 1ooy n THR 5 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1ooy s ASP 6 N -2.74 2.69 0.32 3.42 2.15 -1.26 -4.91 116.67 116.33 1ooy s ASP 6 Ca 0.02 -0.49 0.01 0.00 0.43 0.00 0.00 52.55 52.52 1ooy s ASP 6 Cb 0.10 -1.19 0.56 0.00 -0.30 0.00 0.00 42.92 42.09 1ooy s ASP 6 CO 0.59 -0.04 1.94 0.00 -0.17 0.00 0.00 175.17 177.49 1ooy h ALA 7 N 7.97 1.53 -0.74 3.66 0.00 -1.92 -1.76 119.26 128.00 1ooy h ALA 7 Ca -0.38 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.52 1ooy h ALA 7 Cb 1.14 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 1ooy h ALA 7 CO 0.53 0.37 0.48 0.28 0.00 0.00 0.00 179.25 180.91 1ooy h VAL 8 N 0.99 1.15 -0.25 0.00 2.07 -1.92 -1.07 116.25 117.22 1ooy h VAL 8 Ca 0.34 -0.33 0.03 0.00 0.82 0.00 0.00 66.70 67.56 1ooy h VAL 8 Cb 0.11 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 29.97 1ooy h VAL 8 CO -0.11 0.17 0.17 -0.33 0.02 0.00 0.00 177.57 177.50 1ooy h GLU 9 N 0.96 0.21 0.00 1.57 4.39 -1.75 0.94 114.58 120.90 1ooy h GLU 9 Ca 0.28 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.97 1ooy h GLU 9 Cb -0.06 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.55 1ooy h GLU 9 CO -0.08 0.14 0.00 0.00 -1.16 0.00 0.00 179.01 177.91 1ooy h ALA 10 N 1.86 1.00 0.00 3.43 0.00 -0.98 -3.30 119.26 121.27 1ooy h ALA 10 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1ooy h ALA 10 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1ooy h ALA 10 CO -0.02 0.00 0.00 1.33 0.00 0.00 0.00 179.25 180.56 1ooy n VAL 11 N -2.93 0.65 0.31 0.00 0.24 -0.63 -4.79 118.33 111.18 1ooy n VAL 11 Ca 0.03 -0.71 0.20 0.00 -2.04 0.00 0.00 64.34 61.81 1ooy n VAL 11 Cb 0.41 0.71 0.94 0.00 -1.47 0.00 0.00 33.84 34.43 1ooy n VAL 11 CO 0.00 0.00 0.00 0.07 -2.14 0.00 0.00 176.83 174.76 1ooy h LYS 12 N 0.00 0.00 -0.65 7.34 2.10 -0.94 -2.54 116.57 121.89 1ooy h LYS 12 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1ooy h LYS 12 Cb 0.55 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.88 1ooy h LYS 12 CO 0.00 0.01 0.00 -0.40 -2.00 0.00 0.00 179.45 177.06 1ooy n ASP 13 N -3.12 4.41 -4.70 7.07 5.75 -1.26 -4.92 116.55 119.78 1ooy n ASP 13 Ca -0.01 -2.42 -0.42 0.00 -0.01 0.00 0.00 54.79 51.93 1ooy n ASP 13 Cb 0.19 -0.56 -0.03 0.00 -1.03 0.00 0.00 41.12 39.70 1ooy n ASP 13 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1ooy s ILE 14 N -1.85 3.50 0.50 2.12 1.01 -0.96 -4.96 121.20 120.58 1ooy s ILE 14 Ca 0.47 1.00 -0.21 0.00 0.00 0.00 0.00 60.65 61.91 1ooy s ILE 14 Cb 0.30 -3.64 -0.07 0.00 0.01 0.00 0.00 42.46 39.06 1ooy s ILE 14 CO 0.22 0.03 1.11 -2.84 0.00 0.00 0.00 174.94 173.46 1ooy s PRO 15 N 1.82 3.59 0.49 2.79 0.02 -1.26 -4.91 135.00 137.55 1ooy s PRO 15 Ca 0.65 1.57 -0.24 0.00 0.02 0.00 0.00 61.00 63.00 1ooy s PRO 15 Cb -0.34 -2.13 -0.07 0.00 0.02 0.00 0.00 34.50 31.98 1ooy s PRO 15 CO 0.29 -0.64 1.36 0.09 -0.33 0.00 0.00 177.00 177.77 1ooy n ASN 16 N -0.99 2.86 0.00 2.53 3.02 -1.26 -1.49 115.26 119.92 1ooy n ASN 16 Ca 0.10 1.05 0.00 0.00 -0.03 0.00 0.00 54.58 55.70 1ooy n ASN 16 Cb 0.51 -1.57 0.00 0.00 -0.61 0.00 0.00 39.78 38.11 1ooy n ASN 16 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ooy n GLY 17 N 0.71 0.76 3.74 7.41 0.00 0.57 -4.97 105.19 113.41 1ooy n GLY 17 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 1ooy n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ooy s ALA 18 N -3.07 2.22 -0.26 4.61 0.00 -0.56 -4.49 121.76 120.22 1ooy s ALA 18 Ca 0.00 0.63 -0.13 0.00 0.00 0.00 0.00 51.96 52.46 1ooy s ALA 18 Cb 0.00 -3.38 -0.04 0.00 0.00 0.00 0.00 23.12 19.70 1ooy s ALA 18 CO 0.00 -1.69 0.26 0.99 0.00 0.00 0.00 175.76 175.32 1ooy s THR 19 N -2.32 5.27 -0.13 0.00 2.01 -1.26 -0.59 115.64 118.61 1ooy s THR 19 Ca 0.69 0.36 0.02 0.00 0.31 0.00 0.00 61.69 63.06 1ooy s THR 19 Cb -0.23 -3.60 0.01 0.00 0.01 0.00 0.00 72.50 68.70 1ooy s THR 19 CO 0.46 0.25 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.77 1ooy s VAL 20 N 1.62 1.77 -0.02 3.82 1.01 0.63 -0.00 120.40 129.22 1ooy s VAL 20 Ca 0.11 -0.79 -0.25 0.00 0.00 0.00 0.00 61.98 61.05 1ooy s VAL 20 Cb -0.15 -1.60 -0.04 0.00 0.00 0.00 0.00 36.38 34.59 1ooy s VAL 20 CO 0.09 0.49 0.75 -0.76 0.00 0.00 0.00 175.10 175.67 1ooy s LEU 21 N 1.04 4.37 -0.17 3.92 1.43 0.85 -0.53 118.68 129.60 1ooy s LEU 21 Ca -0.04 1.34 0.01 0.00 -1.03 0.00 0.00 54.13 54.41 1ooy s LEU 21 Cb -0.15 -3.19 0.03 0.00 0.03 0.00 0.00 46.19 42.92 1ooy s LEU 21 CO -0.04 -0.08 -0.12 -0.69 0.23 0.00 0.00 176.35 175.65 1ooy s VAL 22 N 0.48 1.58 0.99 -1.59 1.01 0.09 0.45 120.40 123.40 1ooy s VAL 22 Ca 0.39 -0.78 -0.12 0.00 0.00 0.00 0.00 61.98 61.47 1ooy s VAL 22 Cb -0.19 -1.56 0.18 0.00 0.00 0.00 0.00 36.38 34.81 1ooy s VAL 22 CO 0.21 0.33 1.09 -0.83 0.00 0.00 0.00 175.10 175.90 1ooy s GLY 23 N 1.46 1.57 0.00 4.51 0.00 -0.46 -4.35 107.32 110.05 1ooy s GLY 23 Ca 0.02 -0.32 0.00 0.00 0.00 0.00 0.00 44.72 44.43 1ooy s GLY 23 CO -0.10 0.28 0.00 0.61 0.00 0.00 0.00 173.10 173.89 1ooy n GLY 24 N -1.09 3.41 2.94 0.20 0.00 -1.01 -4.32 105.19 105.32 1ooy n GLY 24 Ca 0.05 -1.76 -0.28 0.00 0.00 0.00 0.00 46.02 44.03 1ooy n GLY 24 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1ooy s PHE 25 N -2.11 1.76 0.00 1.61 2.19 -0.17 -4.38 117.98 116.89 1ooy s PHE 25 Ca 0.00 -0.97 0.00 0.00 0.33 0.00 0.00 56.93 56.29 1ooy s PHE 25 Cb 0.00 -1.37 0.00 0.00 -1.31 0.00 0.00 43.02 40.34 1ooy s PHE 25 CO 0.00 -0.59 0.00 0.41 1.83 0.00 0.00 175.22 176.87 1ooy n GLY 26 N 4.87 3.52 1.45 13.12 0.00 -1.26 -0.48 105.19 126.41 1ooy n GLY 26 Ca -0.14 -0.13 0.08 0.00 0.00 0.00 0.00 46.02 45.84 1ooy n GLY 26 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ooy n LEU 27 N 0.00 4.75 -4.54 0.99 4.77 -1.26 -4.51 117.00 117.20 1ooy n LEU 27 Ca 0.00 -2.72 -0.40 0.00 -0.03 0.00 0.00 56.01 52.86 1ooy n LEU 27 Cb 0.00 -0.58 -0.10 0.00 -2.33 0.00 0.00 43.42 40.41 1ooy n LEU 27 CO 0.00 0.71 -0.04 0.00 -1.33 0.00 0.00 177.39 176.73 1ooy n GLY 29 N 5.02 0.38 3.86 0.00 0.00 -1.26 -1.00 105.19 112.19 1ooy n GLY 29 Ca -0.11 -0.75 -0.35 0.00 0.00 0.00 0.00 46.02 44.82 1ooy n GLY 29 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1ooy s ILE 30 N -2.31 5.04 -1.35 -0.61 -4.36 -1.26 -2.40 121.20 113.95 1ooy s ILE 30 Ca 0.01 0.56 -0.14 0.00 -0.26 0.00 0.00 60.65 60.81 1ooy s ILE 30 Cb -0.01 -3.67 0.09 0.00 1.25 0.00 0.00 42.46 40.12 1ooy s ILE 30 CO 0.02 0.30 1.92 -0.81 0.24 0.00 0.00 174.94 176.60 1ooy n PRO 31 N 0.94 3.15 0.11 0.37 -0.04 -1.26 -4.75 135.00 133.52 1ooy n PRO 31 Ca -0.08 -3.12 0.02 0.00 -0.04 0.00 0.00 63.50 60.29 1ooy n PRO 31 Cb 0.52 -3.27 0.39 0.00 -0.04 0.00 0.00 33.50 31.10 1ooy n PRO 31 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 1ooy h GLU 32 N 6.60 0.25 0.00 0.54 4.11 -1.93 0.13 114.58 124.28 1ooy h GLU 32 Ca 0.47 -0.06 -0.24 0.00 0.07 0.00 0.00 59.36 59.61 1ooy h GLU 32 Cb 0.74 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.96 1ooy h GLU 32 CO 1.63 0.38 -0.98 -0.91 0.07 0.00 0.00 179.01 179.20 1ooy h ASN 33 N 0.24 0.66 -0.23 3.06 2.35 -1.85 -1.57 115.58 118.23 1ooy h ASN 33 Ca 0.05 -0.53 -0.13 0.00 -0.55 0.00 0.00 56.30 55.13 1ooy h ASN 33 Cb 0.37 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.53 1ooy h ASN 33 CO 0.02 1.33 -0.32 -0.07 -1.65 0.00 0.00 177.43 176.75 1ooy h LEU 34 N 0.29 0.78 -0.54 1.61 3.38 -1.83 0.38 115.31 119.38 1ooy h LEU 34 Ca -0.10 -0.32 -0.08 0.00 0.09 0.00 0.00 57.88 57.47 1ooy h LEU 34 Cb 1.62 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 42.14 1ooy h LEU 34 CO 0.18 1.04 0.02 0.40 0.09 0.00 0.00 178.44 180.16 1ooy h ILE 35 N 0.63 1.26 -0.54 1.22 2.04 -0.96 -0.89 117.51 120.26 1ooy h ILE 35 Ca 0.07 -1.07 -0.01 0.00 1.00 0.00 0.00 64.86 64.84 1ooy h ILE 35 Cb 0.85 0.89 -0.03 0.00 -0.74 0.00 0.00 36.82 37.79 1ooy h ILE 35 CO 0.07 0.38 0.28 1.23 0.00 0.00 0.00 178.15 180.12 1ooy h GLY 36 N 0.82 0.80 1.41 5.37 0.00 -0.84 -1.06 103.07 109.57 1ooy h GLY 36 Ca 0.16 -0.35 -0.08 0.00 0.00 0.00 0.00 47.33 47.05 1ooy h GLY 36 CO 0.02 0.34 -0.08 0.00 0.00 0.00 0.00 176.54 176.82 1ooy h ALA 37 N 1.55 1.08 0.00 3.60 0.00 -0.16 -2.37 119.26 122.97 1ooy h ALA 37 Ca 0.19 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 1ooy h ALA 37 Cb 0.05 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1ooy h ALA 37 CO -0.03 0.57 -0.35 -0.07 0.00 0.00 0.00 179.25 179.36 1ooy h LEU 38 N 0.65 0.00 -1.48 0.00 4.07 0.06 -0.78 115.31 117.83 1ooy h LEU 38 Ca 0.12 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.07 1ooy h LEU 38 Cb 0.53 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.25 1ooy h LEU 38 CO 0.03 0.35 0.21 -0.07 -1.08 0.00 0.00 178.44 177.89 1ooy h LEU 39 N 0.00 0.50 -0.15 1.67 3.38 -0.81 -1.26 115.31 118.63 1ooy h LEU 39 Ca -0.00 -0.03 -0.22 0.00 0.09 0.00 0.00 57.88 57.71 1ooy h LEU 39 Cb 0.66 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 1ooy h LEU 39 CO 0.05 0.41 -0.98 0.11 0.09 0.00 0.00 178.44 178.12 1ooy h LYS 40 N 0.57 0.26 0.00 1.13 1.57 -1.05 -3.24 116.57 115.81 1ooy h LYS 40 Ca 0.15 -0.32 -0.10 0.00 -1.87 0.00 0.00 60.65 58.51 1ooy h LYS 40 Cb 0.04 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 1ooy h LYS 40 CO -0.02 1.05 -0.47 1.79 -0.57 0.00 0.00 179.45 181.23 1ooy h THR 41 N 0.13 0.87 -0.08 -0.16 1.35 -0.93 -3.47 112.91 110.62 1ooy h THR 41 Ca -0.07 -2.02 -0.03 0.00 -0.55 0.00 0.00 66.41 63.74 1ooy h THR 41 Cb 1.64 2.28 -0.01 0.00 -1.73 0.00 0.00 68.15 70.32 1ooy h THR 41 CO 0.16 0.46 -0.03 0.61 -0.25 0.00 0.00 175.52 176.46 1ooy n GLY 42 N 0.92 0.47 3.67 5.82 0.00 -0.51 -4.97 105.19 110.59 1ooy n GLY 42 Ca 0.01 -0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 1ooy n GLY 42 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1ooy n VAL 43 N -2.69 2.37 -4.64 1.61 3.14 -1.26 -4.97 118.33 111.91 1ooy n VAL 43 Ca -0.02 -0.50 -0.29 0.00 -2.96 0.00 0.00 64.34 60.58 1ooy n VAL 43 Cb 0.19 -1.42 -0.10 0.00 -1.06 0.00 0.00 33.84 31.45 1ooy n VAL 43 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 1ooy s LYS 44 N -2.04 1.99 -1.43 1.45 -0.14 -1.26 -4.75 119.74 113.56 1ooy s LYS 44 Ca 0.60 -2.18 -0.10 0.00 -1.36 0.00 0.00 55.97 52.93 1ooy s LYS 44 Cb -0.55 -1.44 0.07 0.00 -1.68 0.00 0.00 37.83 34.23 1ooy s LYS 44 CO 0.59 -0.19 0.69 0.39 -0.76 0.00 0.00 175.35 176.06 1ooy n GLU 45 N -1.02 -4.35 -2.35 1.68 1.02 -0.97 -0.31 120.64 114.34 1ooy n GLU 45 Ca -0.09 0.59 -0.36 0.00 -0.02 0.00 0.00 57.16 57.28 1ooy n GLU 45 Cb 0.67 -5.39 -0.02 0.00 -0.02 0.00 0.00 31.44 26.69 1ooy n GLU 45 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1ooy s LEU 46 N -6.82 3.94 -0.43 -4.62 1.43 -0.31 -3.48 118.68 108.40 1ooy s LEU 46 Ca 0.49 2.17 -0.12 0.00 -1.03 0.00 0.00 54.13 55.63 1ooy s LEU 46 Cb -0.25 -4.36 0.06 0.00 0.03 0.00 0.00 46.19 41.67 1ooy s LEU 46 CO 0.60 -0.90 0.31 -0.89 0.23 0.00 0.00 176.35 175.70 1ooy s THR 47 N -1.69 4.75 -0.29 5.49 2.01 0.24 0.19 115.64 126.34 1ooy s THR 47 Ca 0.65 -1.13 -0.17 0.00 0.31 0.00 0.00 61.69 61.36 1ooy s THR 47 Cb -0.24 -3.81 -0.02 0.00 0.01 0.00 0.00 72.50 68.43 1ooy s THR 47 CO 0.29 -0.47 0.46 0.00 -0.69 0.00 0.00 174.62 174.20 1ooy s ALA 48 N 1.55 3.54 -0.49 7.40 0.00 0.79 -0.27 121.76 134.28 1ooy s ALA 48 Ca 0.03 -0.83 -0.18 0.00 0.00 0.00 0.00 51.96 50.98 1ooy s ALA 48 Cb -0.23 -2.86 0.06 0.00 0.00 0.00 0.00 23.12 20.10 1ooy s ALA 48 CO 0.05 -0.86 0.55 0.08 0.00 0.00 0.00 175.76 175.58 1ooy s VAL 49 N 2.23 4.98 -0.10 0.00 1.01 0.31 -0.78 120.40 128.06 1ooy s VAL 49 Ca 0.18 -0.63 -0.05 0.00 0.00 0.00 0.00 61.98 61.48 1ooy s VAL 49 Cb -0.16 -4.23 0.05 0.00 0.00 0.00 0.00 36.38 32.04 1ooy s VAL 49 CO 0.11 -0.72 0.23 -0.55 0.00 0.00 0.00 175.10 174.17 1ooy s SER 50 N 2.60 -0.15 0.24 3.32 0.15 -0.22 -0.73 113.70 118.90 1ooy s SER 50 Ca 0.12 0.49 -0.05 0.00 0.70 0.00 0.00 55.95 57.21 1ooy s SER 50 Cb -0.20 0.40 0.39 0.00 -1.71 0.00 0.00 66.02 64.90 1ooy s SER 50 CO 0.11 -0.17 1.79 -1.13 1.20 0.00 0.00 173.24 175.03 1ooy h ASN 51 N 7.35 0.54 -4.30 5.45 -1.24 -1.76 -3.32 115.58 118.29 1ooy h ASN 51 Ca -0.38 0.06 -0.42 0.00 0.71 0.00 0.00 56.30 56.27 1ooy h ASN 51 Cb 1.15 -0.03 -0.09 0.00 0.73 0.00 0.00 38.32 40.07 1ooy h ASN 51 CO 0.35 0.29 -0.35 0.59 -1.29 0.00 0.00 177.43 177.03 1ooy n ASN 52 N -4.83 1.43 -1.08 1.15 4.13 -1.26 -0.77 115.26 114.03 1ooy n ASN 52 Ca 0.13 -2.62 0.01 0.00 1.68 0.00 0.00 54.58 53.77 1ooy n ASN 52 Cb 0.30 0.70 0.22 0.00 -1.54 0.00 0.00 39.78 39.46 1ooy n ASN 52 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1ooy n ALA 53 N -1.60 3.77 -0.93 5.41 0.00 -1.25 -4.86 120.51 121.05 1ooy n ALA 53 Ca -0.12 -2.76 0.00 0.00 0.00 0.00 0.00 53.44 50.56 1ooy n ALA 53 Cb 0.46 -0.76 0.00 0.00 0.00 0.00 0.00 19.45 19.15 1ooy n ALA 53 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ooy n GLY 54 N -0.86 2.87 2.14 0.00 0.00 -1.26 -2.48 105.19 105.59 1ooy n GLY 54 Ca 0.29 -0.36 -0.15 0.00 0.00 0.00 0.00 46.02 45.80 1ooy n GLY 54 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1ooy n VAL 55 N 0.00 0.00 -1.82 1.61 0.24 -0.70 -4.75 118.33 112.91 1ooy n VAL 55 Ca 0.00 -1.54 -0.41 0.00 -2.04 0.00 0.00 64.34 60.35 1ooy n VAL 55 Cb 0.00 0.62 -0.00 0.00 -1.47 0.00 0.00 33.84 32.98 1ooy n VAL 55 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 1ooy s ASP 56 N -2.58 6.36 -0.76 -1.34 1.01 -1.25 -2.39 116.67 115.72 1ooy s ASP 56 Ca 0.17 3.03 0.00 0.00 0.71 0.00 0.00 52.55 56.46 1ooy s ASP 56 Cb 0.01 -2.67 0.00 0.00 1.01 0.00 0.00 42.92 41.27 1ooy s ASP 56 CO 0.12 -0.86 0.00 -0.46 0.21 0.00 0.00 175.17 174.18 1ooy n ASN 57 N 0.51 -3.26 -3.93 0.27 6.94 -1.25 -4.89 115.26 109.65 1ooy n ASN 57 Ca 0.01 0.18 -0.10 0.00 -0.02 0.00 0.00 54.58 54.65 1ooy n ASN 57 Cb 0.39 -2.68 -0.11 0.00 -2.36 0.00 0.00 39.78 35.02 1ooy n ASN 57 CO 0.00 0.00 0.00 0.12 -1.03 0.00 0.00 177.26 176.35 1ooy s PHE 58 N -1.43 0.14 0.00 -2.53 5.36 -1.01 -4.55 117.98 113.97 1ooy s PHE 58 Ca 0.00 -0.30 0.00 0.00 -0.96 0.00 0.00 56.93 55.67 1ooy s PHE 58 Cb 0.00 -0.11 0.00 0.00 -0.34 0.00 0.00 43.02 42.57 1ooy s PHE 58 CO 0.00 -0.19 0.00 0.41 -1.46 0.00 0.00 175.22 173.98 1ooy n GLY 59 N 1.83 1.51 0.37 13.12 0.00 -1.26 -1.71 105.19 119.04 1ooy n GLY 59 Ca -0.21 -0.62 0.19 0.00 0.00 0.00 0.00 46.02 45.37 1ooy n GLY 59 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1ooy h LEU 60 N 0.00 0.00 -1.88 0.99 5.85 -1.88 -0.91 115.31 117.49 1ooy h LEU 60 Ca 0.00 0.00 0.18 0.00 0.84 0.00 0.00 57.88 58.90 1ooy h LEU 60 Cb 0.00 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 1ooy h LEU 60 CO 0.00 0.00 0.49 1.23 -0.34 0.00 0.00 178.44 179.82 1ooy h GLY 61 N 0.00 0.21 1.21 3.75 0.00 -1.06 -0.76 103.07 106.42 1ooy h GLY 61 Ca 0.21 -0.05 -0.04 0.00 0.00 0.00 0.00 47.33 47.46 1ooy h GLY 61 CO -0.00 0.01 0.28 1.41 0.00 0.00 0.00 176.54 178.24 1ooy h LEU 62 N 0.11 0.93 -0.40 3.11 3.38 -1.29 0.95 115.31 122.11 1ooy h LEU 62 Ca 0.33 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 58.13 1ooy h LEU 62 Cb 1.16 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 1ooy h LEU 62 CO -0.04 0.82 -0.24 -0.07 0.09 0.00 0.00 178.44 179.00 1ooy h LEU 63 N 0.99 0.00 0.01 1.67 3.38 -1.32 -1.61 115.31 118.43 1ooy h LEU 63 Ca 0.23 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 58.02 1ooy h LEU 63 Cb 0.18 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.95 1ooy h LEU 63 CO -0.02 0.24 -0.72 -0.07 0.09 0.00 0.00 178.44 177.96 1ooy h LEU 64 N 0.00 0.62 -0.96 1.67 3.38 -0.99 0.10 115.31 119.13 1ooy h LEU 64 Ca -0.00 -0.76 0.06 0.00 0.09 0.00 0.00 57.88 57.26 1ooy h LEU 64 Cb 1.04 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 41.53 1ooy h LEU 64 CO 0.03 1.30 0.61 -0.61 0.09 0.00 0.00 178.44 179.87 1ooy h GLN 65 N -0.00 1.09 -0.05 1.13 5.75 -0.53 0.03 115.11 122.53 1ooy h GLN 65 Ca -0.09 -0.07 0.00 0.00 -0.15 0.00 0.00 58.65 58.34 1ooy h GLN 65 Cb 1.42 -0.25 0.00 0.00 1.07 0.00 0.00 27.48 29.72 1ooy h GLN 65 CO 0.14 0.72 0.00 -1.13 -2.65 0.00 0.00 178.83 175.91 1ooy n SER 66 N -4.53 0.61 -3.49 -0.69 3.41 -0.63 -4.90 113.62 103.40 1ooy n SER 66 Ca 0.14 -1.44 -0.24 0.00 -0.26 0.00 0.00 58.87 57.07 1ooy n SER 66 Cb 0.17 -0.03 0.06 0.00 -0.26 0.00 0.00 64.21 64.16 1ooy n SER 66 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1ooy n LYS 67 N -0.42 -6.93 -0.02 4.33 5.02 -0.00 -4.88 118.16 115.26 1ooy n LYS 67 Ca 0.17 0.82 0.12 0.00 -2.02 0.00 0.00 58.31 57.40 1ooy n LYS 67 Cb 0.17 -5.81 0.15 0.00 -0.02 0.00 0.00 35.03 29.52 1ooy n LYS 67 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1ooy n GLN 68 N -4.73 2.29 -4.35 1.97 6.02 0.32 -4.64 117.38 114.26 1ooy n GLN 68 Ca -0.02 -1.88 -0.34 0.00 -0.01 0.00 0.00 57.00 54.76 1ooy n GLN 68 Cb 0.57 -1.47 -0.13 0.00 1.02 0.00 0.00 30.24 30.23 1ooy n GLN 68 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1ooy s ILE 69 N -1.95 3.55 -0.14 5.09 -1.09 -1.21 -1.16 121.20 124.28 1ooy s ILE 69 Ca 0.30 -0.47 -0.13 0.00 -2.23 0.00 0.00 60.65 58.12 1ooy s ILE 69 Cb 0.20 -2.56 -0.24 0.00 -1.58 0.00 0.00 42.46 38.28 1ooy s ILE 69 CO 0.30 0.48 0.35 0.50 -1.23 0.00 0.00 174.94 175.34 1ooy h LYS 70 N 7.13 0.18 -3.58 2.79 3.64 -0.44 -3.45 116.57 122.84 1ooy h LYS 70 Ca -0.33 -0.30 -0.18 0.00 -1.27 0.00 0.00 60.65 58.57 1ooy h LYS 70 Cb 1.19 0.11 -0.24 0.00 -0.41 0.00 0.00 32.23 32.88 1ooy h LYS 70 CO 0.60 1.15 -0.59 0.50 -2.27 0.00 0.00 179.45 178.84 1ooy s ARG 71 N -2.48 0.25 -0.09 1.90 3.52 -0.72 -0.93 118.95 120.41 1ooy s ARG 71 Ca -0.24 -0.14 -0.01 0.00 -0.13 0.00 0.00 55.73 55.21 1ooy s ARG 71 Cb 0.06 0.11 -0.03 0.00 -1.56 0.00 0.00 34.95 33.53 1ooy s ARG 71 CO 0.71 -0.05 -0.04 -1.64 -0.81 0.00 0.00 175.30 173.47 1ooy s MET 72 N -0.61 2.98 -0.26 5.12 -1.94 -0.06 -0.15 119.30 124.39 1ooy s MET 72 Ca -0.07 -0.49 0.03 0.00 -1.71 0.00 0.00 55.69 53.44 1ooy s MET 72 Cb -0.04 -2.71 0.06 0.00 2.01 0.00 0.00 34.83 34.15 1ooy s MET 72 CO 0.00 0.61 -0.08 0.42 -0.01 0.00 0.00 175.02 175.96 1ooy s ILE 73 N -0.64 2.02 0.21 2.53 1.01 0.04 -0.20 121.20 126.18 1ooy s ILE 73 Ca 0.10 -1.59 -0.11 0.00 0.00 0.00 0.00 60.65 59.05 1ooy s ILE 73 Cb -0.12 -2.19 -0.01 0.00 0.01 0.00 0.00 42.46 40.15 1ooy s ILE 73 CO 0.02 -0.09 0.38 -0.44 0.00 0.00 0.00 174.94 174.81 1ooy s SER 74 N 1.16 -0.04 -0.07 3.58 0.01 -0.82 -1.06 113.70 116.47 1ooy s SER 74 Ca -0.07 -0.91 0.15 0.00 1.31 0.00 0.00 55.95 56.43 1ooy s SER 74 Cb -0.20 0.51 -0.23 0.00 0.21 0.00 0.00 66.02 66.32 1ooy s SER 74 CO -0.06 -1.01 0.25 -1.54 0.41 0.00 0.00 173.24 171.29 1ooy n SER 75 N -0.31 1.32 -3.67 2.44 3.41 0.05 -0.50 113.62 116.36 1ooy n SER 75 Ca -0.04 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.48 1ooy n SER 75 Cb 0.63 1.43 -0.09 0.00 -0.26 0.00 0.00 64.21 65.92 1ooy n SER 75 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1ooy s TYR 76 N -2.85 -0.83 -0.08 7.33 5.04 -1.00 -0.38 117.35 124.58 1ooy s TYR 76 Ca -0.06 1.69 0.15 0.00 -2.44 0.00 0.00 57.07 56.41 1ooy s TYR 76 Cb 0.08 0.44 0.31 0.00 0.35 0.00 0.00 41.96 43.15 1ooy s TYR 76 CO 0.65 -0.44 1.15 1.33 -1.34 0.00 0.00 175.55 176.90 1ooy n VAL 77 N 4.34 0.99 -1.30 3.14 0.24 0.20 -3.93 118.33 122.01 1ooy n VAL 77 Ca -0.21 -1.68 -0.30 0.00 -2.04 0.00 0.00 64.34 60.11 1ooy n VAL 77 Cb 0.57 0.31 0.20 0.00 -1.47 0.00 0.00 33.84 33.45 1ooy n VAL 77 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1ooy s GLY 78 N -2.31 1.61 -1.29 7.63 0.00 -1.26 -4.29 107.32 107.41 1ooy s GLY 78 Ca 0.28 -0.82 -0.04 0.00 0.00 0.00 0.00 44.72 44.14 1ooy s GLY 78 CO -0.07 -0.05 0.57 1.18 0.00 0.00 0.00 173.10 174.73 1ooy n GLU 79 N -4.35 -4.42 -3.41 2.90 4.71 -1.26 -4.80 120.64 110.01 1ooy n GLU 79 Ca 0.11 0.76 -0.16 0.00 -0.01 0.00 0.00 57.16 57.85 1ooy n GLU 79 Cb 0.59 -5.32 -0.10 0.00 -1.01 0.00 0.00 31.44 25.60 1ooy n GLU 79 CO 0.00 0.00 0.00 1.21 0.09 0.00 0.00 177.13 178.43 1ooy s ASN 80 N -2.82 1.43 0.21 1.62 3.84 -1.26 -3.90 114.94 114.06 1ooy s ASN 80 Ca 0.28 -0.56 -0.08 0.00 0.21 0.00 0.00 52.86 52.71 1ooy s ASN 80 Cb -0.12 0.57 0.14 0.00 -0.55 0.00 0.00 41.25 41.29 1ooy s ASN 80 CO 0.35 -0.37 1.74 0.00 -2.79 0.00 0.00 177.10 176.03 1ooy h ALA 81 N 8.26 0.99 -0.16 1.71 0.00 -1.94 -2.02 119.26 126.09 1ooy h ALA 81 Ca -0.14 -0.23 -0.13 0.00 0.00 0.00 0.00 54.91 54.41 1ooy h ALA 81 Cb 1.10 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1ooy h ALA 81 CO 0.32 0.67 -0.44 1.49 0.00 0.00 0.00 179.25 181.29 1ooy h GLU 82 N 1.12 0.39 -0.48 0.00 4.57 -1.96 -1.29 114.58 116.92 1ooy h GLU 82 Ca 0.24 -0.20 -0.01 0.00 -1.18 0.00 0.00 59.36 58.21 1ooy h GLU 82 Cb 0.32 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.89 1ooy h GLU 82 CO -0.01 0.76 0.26 0.35 -1.18 0.00 0.00 179.01 179.20 1ooy h PHE 83 N 0.32 0.66 -0.10 0.92 3.04 -1.88 -0.38 116.94 119.52 1ooy h PHE 83 Ca 0.02 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.96 1ooy h PHE 83 Cb 0.90 -0.21 -0.01 0.00 2.56 0.00 0.00 35.95 39.19 1ooy h PHE 83 CO 0.03 0.50 0.06 1.49 -2.02 0.00 0.00 178.31 178.36 1ooy h GLU 84 N 0.64 0.12 -0.37 1.11 4.81 -1.09 -0.36 114.58 119.44 1ooy h GLU 84 Ca 0.17 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.42 1ooy h GLU 84 Cb 0.05 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.37 1ooy h GLU 84 CO -0.03 0.08 0.17 -0.09 -0.73 0.00 0.00 179.01 178.41 1ooy h ARG 85 N 0.12 0.35 -0.49 1.92 2.43 -0.97 0.10 114.38 117.84 1ooy h ARG 85 Ca 0.04 -0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.08 1ooy h ARG 85 Cb -0.00 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.45 1ooy h ARG 85 CO -0.02 0.23 -0.13 1.96 -1.51 0.00 0.00 179.97 180.50 1ooy h GLN 86 N 0.36 0.91 0.19 0.20 4.20 -0.83 0.23 115.11 120.37 1ooy h GLN 86 Ca 0.16 -0.33 -0.01 0.00 0.06 0.00 0.00 58.65 58.53 1ooy h GLN 86 Cb 0.08 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.80 1ooy h GLN 86 CO -0.12 0.98 -0.09 -0.92 -0.67 0.00 0.00 178.83 178.01 1ooy h TYR 87 N 0.81 -0.23 -0.10 2.96 3.20 -0.80 0.53 116.97 123.34 1ooy h TYR 87 Ca 0.13 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.98 1ooy h TYR 87 Cb 0.66 0.08 -0.01 0.00 1.54 0.00 0.00 36.73 39.00 1ooy h TYR 87 CO 0.04 0.06 -0.01 -0.07 -1.64 0.00 0.00 178.16 176.54 1ooy h LEU 88 N -0.53 0.12 -0.01 2.82 3.38 -0.71 -1.82 115.31 118.58 1ooy h LEU 88 Ca -0.03 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1ooy h LEU 88 Cb 0.40 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1ooy h LEU 88 CO 0.04 0.16 -0.03 0.00 0.09 0.00 0.00 178.44 178.70 1ooy n ALA 89 N -2.51 2.44 -0.88 1.53 0.00 0.06 -4.88 120.51 116.28 1ooy n ALA 89 Ca -0.01 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1ooy n ALA 89 Cb 0.14 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.14 1ooy n ALA 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ooy n GLY 90 N 1.44 0.53 0.91 0.00 0.00 -0.53 -4.47 105.19 103.07 1ooy n GLY 90 Ca 0.09 -0.85 0.11 0.00 0.00 0.00 0.00 46.02 45.37 1ooy n GLY 90 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ooy n GLU 91 N -2.59 2.09 -3.80 1.61 1.02 0.17 -4.78 120.64 114.37 1ooy n GLU 91 Ca 0.00 -1.88 -0.13 0.00 -0.02 0.00 0.00 57.16 55.13 1ooy n GLU 91 Cb 0.04 -1.43 -0.12 0.00 -0.02 0.00 0.00 31.44 29.92 1ooy n GLU 91 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1ooy s LEU 92 N -1.71 1.18 -0.10 -4.62 2.96 -1.07 -4.93 118.68 110.39 1ooy s LEU 92 Ca 0.28 0.43 -0.11 0.00 -0.22 0.00 0.00 54.13 54.51 1ooy s LEU 92 Cb 0.19 0.74 -0.05 0.00 0.50 0.00 0.00 46.19 47.57 1ooy s LEU 92 CO 0.27 -0.08 0.24 -1.61 -1.32 0.00 0.00 176.35 173.86 1ooy s GLU 93 N 0.11 3.78 -0.09 1.98 2.02 -0.11 -4.53 118.70 121.87 1ooy s GLU 93 Ca -0.00 0.04 -0.01 0.00 0.02 0.00 0.00 54.97 55.02 1ooy s GLU 93 Cb -0.02 -3.26 0.03 0.00 0.10 0.00 0.00 34.13 30.98 1ooy s GLU 93 CO 0.00 0.61 -0.01 0.08 0.02 0.00 0.00 175.26 175.97 1ooy s VAL 94 N -0.64 0.52 -0.35 2.63 1.01 0.38 -0.88 120.40 123.08 1ooy s VAL 94 Ca 0.17 -0.03 -0.03 0.00 0.00 0.00 0.00 61.98 62.08 1ooy s VAL 94 Cb -0.13 -0.69 0.07 0.00 0.00 0.00 0.00 36.38 35.63 1ooy s VAL 94 CO 0.06 0.23 0.11 -0.70 0.00 0.00 0.00 175.10 174.80 1ooy s GLU 95 N 1.91 2.27 0.13 2.72 2.12 0.72 -4.22 118.70 124.35 1ooy s GLU 95 Ca 0.04 -1.50 -0.30 0.00 0.36 0.00 0.00 54.97 53.58 1ooy s GLU 95 Cb -0.13 -3.40 -0.06 0.00 0.26 0.00 0.00 34.13 30.80 1ooy s GLU 95 CO -0.06 -0.83 1.01 -0.51 -0.54 0.00 0.00 175.26 174.34 1ooy s LEU 96 N 1.23 4.49 -0.01 2.70 1.43 -1.26 -1.94 118.68 125.32 1ooy s LEU 96 Ca 0.01 1.90 0.01 0.00 -1.03 0.00 0.00 54.13 55.02 1ooy s LEU 96 Cb -0.21 -3.59 0.01 0.00 0.03 0.00 0.00 46.19 42.42 1ooy s LEU 96 CO -0.02 -0.13 -0.03 -0.89 0.23 0.00 0.00 176.35 175.52 1ooy s THR 97 N -0.05 0.29 0.47 5.49 2.01 0.35 -4.92 115.64 119.28 1ooy s THR 97 Ca 0.48 -0.09 -0.23 0.00 0.31 0.00 0.00 61.69 62.16 1ooy s THR 97 Cb -0.25 -0.29 -0.09 0.00 0.01 0.00 0.00 72.50 71.88 1ooy s THR 97 CO 0.31 0.11 1.09 -2.65 -0.69 0.00 0.00 174.62 172.79 1ooy n PRO 98 N 3.41 1.41 -0.33 4.92 -0.02 -1.26 -3.67 135.00 139.45 1ooy n PRO 98 Ca -0.18 0.51 -0.04 0.00 -2.02 0.00 0.00 63.50 61.78 1ooy n PRO 98 Cb 0.56 -2.19 0.09 0.00 -0.02 0.00 0.00 33.50 31.93 1ooy n PRO 98 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1ooy h GLN 99 N 1.42 1.23 -0.12 -0.52 4.15 -1.44 0.38 115.11 120.21 1ooy h GLN 99 Ca -0.47 -0.12 -0.13 0.00 0.77 0.00 0.00 58.65 58.71 1ooy h GLN 99 Cb 1.33 -0.25 -0.01 0.00 0.21 0.00 0.00 27.48 28.75 1ooy h GLN 99 CO 0.56 0.87 -0.48 0.78 -1.93 0.00 0.00 178.83 178.62 1ooy h GLY 100 N 1.24 0.33 0.95 2.39 0.00 -1.89 -1.36 103.07 104.73 1ooy h GLY 100 Ca 0.32 -0.35 -0.13 0.00 0.00 0.00 0.00 47.33 47.17 1ooy h GLY 100 CO -0.06 0.32 -0.34 -0.84 0.00 0.00 0.00 176.54 175.62 1ooy h THR 101 N 0.25 1.32 -0.43 4.70 2.02 -1.58 0.28 112.91 119.46 1ooy h THR 101 Ca 0.01 -1.54 0.06 0.00 0.77 0.00 0.00 66.41 65.71 1ooy h THR 101 Cb 0.94 1.74 -0.05 0.00 -1.74 0.00 0.00 68.15 69.05 1ooy h THR 101 CO 0.08 0.48 0.13 0.25 0.37 0.00 0.00 175.52 176.84 1ooy h LEU 102 N 0.35 0.12 -0.55 2.58 5.85 -0.03 0.29 115.31 123.93 1ooy h LEU 102 Ca 0.02 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 1ooy h LEU 102 Cb 0.93 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.99 1ooy h LEU 102 CO 0.08 0.10 0.22 0.00 -0.34 0.00 0.00 178.44 178.50 1ooy h ALA 103 N 1.29 0.72 -0.11 1.25 0.00 -1.03 -0.52 119.26 120.87 1ooy h ALA 103 Ca 0.20 -0.16 -0.17 0.00 0.00 0.00 0.00 54.91 54.79 1ooy h ALA 103 Cb 0.21 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1ooy h ALA 103 CO -0.22 0.33 -0.64 1.49 0.00 0.00 0.00 179.25 180.21 1ooy h GLU 104 N 0.75 0.40 -0.63 0.00 4.57 -0.57 0.12 114.58 119.22 1ooy h GLU 104 Ca 0.18 -0.29 -0.08 0.00 -1.18 0.00 0.00 59.36 57.99 1ooy h GLU 104 Cb 0.19 0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.81 1ooy h GLU 104 CO -0.02 0.91 0.07 0.00 -1.18 0.00 0.00 179.01 178.79 1ooy h ARG 105 N 0.29 1.06 -0.31 1.92 3.08 -0.26 0.35 114.38 120.52 1ooy h ARG 105 Ca -0.01 -0.29 -0.10 0.00 0.07 0.00 0.00 59.98 59.64 1ooy h ARG 105 Cb 1.18 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 31.10 1ooy h ARG 105 CO 0.11 0.99 -0.20 0.82 -1.07 0.00 0.00 179.97 180.62 1ooy h ILE 106 N 0.99 1.30 -0.80 2.04 2.04 -0.85 0.09 117.51 122.32 1ooy h ILE 106 Ca 0.19 -1.34 -0.00 0.00 1.00 0.00 0.00 64.86 64.71 1ooy h ILE 106 Cb 0.47 1.49 -0.04 0.00 -0.74 0.00 0.00 36.82 38.00 1ooy h ILE 106 CO 0.02 0.43 0.48 -0.09 0.00 0.00 0.00 178.15 178.99 1ooy h ARG 107 N 0.44 1.08 -0.94 2.37 2.43 -0.54 -1.30 114.38 117.91 1ooy h ARG 107 Ca 0.06 -0.10 0.04 0.00 -0.81 0.00 0.00 59.98 59.18 1ooy h ARG 107 Cb 0.75 -0.23 -0.06 0.00 -0.42 0.00 0.00 29.97 30.01 1ooy h ARG 107 CO 0.06 0.76 0.61 0.00 -1.51 0.00 0.00 179.97 179.88 1ooy h ALA 108 N 1.26 1.27 -0.00 2.80 0.00 -0.12 0.10 119.26 124.56 1ooy h ALA 108 Ca 0.29 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1ooy h ALA 108 Cb -0.04 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.43 1ooy h ALA 108 CO -0.05 0.45 0.01 0.78 0.00 0.00 0.00 179.25 180.44 1ooy h GLY 109 N 1.16 0.00 -0.91 0.00 0.00 -0.05 -0.96 103.07 102.30 1ooy h GLY 109 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.72 1ooy h GLY 109 CO -0.14 0.00 -0.13 0.61 0.00 0.00 0.00 176.54 176.89 1ooy n GLY 110 N -1.18 -0.04 0.73 4.60 0.00 -0.09 -4.56 105.19 104.66 1ooy n GLY 110 Ca -0.03 -0.40 0.07 0.00 0.00 0.00 0.00 46.02 45.65 1ooy n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ooy n ALA 111 N 0.36 2.23 -1.20 4.61 0.00 -0.42 -4.88 120.51 121.21 1ooy n ALA 111 Ca 0.07 -1.13 -0.07 0.00 0.00 0.00 0.00 53.44 52.32 1ooy n ALA 111 Cb 0.33 -0.51 -0.03 0.00 0.00 0.00 0.00 19.45 19.24 1ooy n ALA 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ooy n GLY 112 N 0.69 0.91 3.31 0.00 0.00 -1.09 -4.99 105.19 104.02 1ooy n GLY 112 Ca 0.13 -0.64 -0.36 0.00 0.00 0.00 0.00 46.02 45.15 1ooy n GLY 112 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ooy s VAL 113 N -2.23 3.67 -0.14 1.61 1.01 -0.88 -4.96 120.40 118.48 1ooy s VAL 113 Ca 0.00 -0.76 0.21 0.00 0.00 0.00 0.00 61.98 61.43 1ooy s VAL 113 Cb 0.00 -2.88 0.21 0.00 0.00 0.00 0.00 36.38 33.71 1ooy s VAL 113 CO 0.00 0.13 1.63 1.55 0.00 0.00 0.00 175.10 178.40 1ooy h PRO 114 N 8.17 0.00 -2.20 2.72 0.13 -1.94 -3.38 132.00 135.50 1ooy h PRO 114 Ca -0.32 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 64.86 1ooy h PRO 114 Cb 1.12 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.08 1ooy h PRO 114 CO 0.59 0.25 0.40 0.00 -0.23 0.00 0.00 178.00 179.02 1ooy s ALA 115 N -3.26 -1.80 0.28 -0.56 0.00 -1.26 -0.65 121.76 114.51 1ooy s ALA 115 Ca 0.04 1.11 -0.15 0.00 0.00 0.00 0.00 51.96 52.95 1ooy s ALA 115 Cb 0.08 0.17 0.01 0.00 0.00 0.00 0.00 23.12 23.38 1ooy s ALA 115 CO 0.68 -0.56 0.60 -0.59 0.00 0.00 0.00 175.76 175.89 1ooy s PHE 116 N -2.44 0.19 0.02 0.00 -0.71 -0.05 -4.97 117.98 110.02 1ooy s PHE 116 Ca 0.00 -0.61 0.02 0.00 -1.04 0.00 0.00 56.93 55.29 1ooy s PHE 116 Cb -0.01 0.42 -0.04 0.00 -1.21 0.00 0.00 43.02 42.19 1ooy s PHE 116 CO -0.04 -1.15 0.04 0.71 -1.34 0.00 0.00 175.22 173.44 1ooy s TYR 117 N -3.73 3.15 -0.01 3.49 2.02 -1.26 -0.77 117.35 120.23 1ooy s TYR 117 Ca 0.18 0.11 -0.11 0.00 -0.37 0.00 0.00 57.07 56.88 1ooy s TYR 117 Cb -0.03 -1.67 0.01 0.00 -0.40 0.00 0.00 41.96 39.88 1ooy s TYR 117 CO 0.09 0.50 0.23 -0.08 -1.57 0.00 0.00 175.55 174.72 1ooy s THR 118 N -1.20 0.06 0.23 -0.71 -1.32 -0.17 -4.91 115.64 107.63 1ooy s THR 118 Ca 0.23 -0.53 0.10 0.00 -1.21 0.00 0.00 61.69 60.28 1ooy s THR 118 Cb -0.12 -0.51 -0.06 0.00 -1.51 0.00 0.00 72.50 70.30 1ooy s THR 118 CO 0.14 -0.29 1.54 -1.28 -2.21 0.00 0.00 174.62 172.53 1ooy h SER 119 N 4.22 0.00 -2.11 8.08 0.87 -1.86 0.31 113.55 123.06 1ooy h SER 119 Ca -0.30 0.00 -0.60 0.00 -1.23 0.00 0.00 61.79 59.66 1ooy h SER 119 Cb 1.19 0.00 0.03 0.00 -0.44 0.00 0.00 62.40 63.17 1ooy h SER 119 CO 0.40 0.69 1.06 0.41 -0.53 0.00 0.00 176.83 178.85 1ooy n THR 120 N -3.69 0.49 0.00 2.23 -1.04 -1.26 -1.40 114.28 109.61 1ooy n THR 120 Ca -0.01 -0.09 0.00 0.00 -2.04 0.00 0.00 64.05 61.91 1ooy n THR 120 Cb 0.68 -1.86 0.00 0.00 -1.82 0.00 0.00 70.33 67.34 1ooy n THR 120 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ooy n GLY 121 N 4.24 1.66 3.69 3.41 0.00 -1.26 -4.81 105.19 112.12 1ooy n GLY 121 Ca 0.21 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.79 1ooy n GLY 121 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1ooy n TYR 122 N -2.00 2.37 -1.00 1.61 9.36 -0.50 -1.65 117.16 125.36 1ooy n TYR 122 Ca 0.00 0.35 -0.00 0.00 3.32 0.00 0.00 57.90 61.57 1ooy n TYR 122 Cb 0.00 -2.51 -0.00 0.00 -0.63 0.00 0.00 39.34 36.20 1ooy n TYR 122 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1ooy n GLY 123 N 2.39 0.43 1.80 2.98 0.00 -1.26 -4.23 105.19 107.30 1ooy n GLY 123 Ca 0.12 -0.01 -0.16 0.00 0.00 0.00 0.00 46.02 45.97 1ooy n GLY 123 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ooy n THR 124 N -2.86 0.00 0.29 2.61 -2.24 -0.66 -4.76 114.28 106.67 1ooy n THR 124 Ca -0.00 -1.19 0.17 0.00 -2.27 0.00 0.00 64.05 60.76 1ooy n THR 124 Cb 0.07 0.25 0.85 0.00 -2.10 0.00 0.00 70.33 69.41 1ooy n THR 124 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1ooy h LEU 125 N 0.00 0.00 -0.30 3.22 3.38 -1.82 0.74 115.31 120.53 1ooy h LEU 125 Ca -0.21 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.66 1ooy h LEU 125 Cb 0.63 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 1ooy h LEU 125 CO 0.34 0.00 -0.24 0.58 0.09 0.00 0.00 178.44 179.21 1ooy h VAL 126 N 0.00 1.30 -0.05 1.22 2.07 -1.89 0.27 116.25 119.16 1ooy h VAL 126 Ca 0.00 -1.39 -0.23 0.00 0.82 0.00 0.00 66.70 65.90 1ooy h VAL 126 Cb 0.18 1.52 0.02 0.00 -1.52 0.00 0.00 31.29 31.48 1ooy h VAL 126 CO 0.00 0.45 -0.88 -0.61 0.02 0.00 0.00 177.57 176.54 1ooy h GLN 127 N 0.45 0.69 0.00 1.57 4.15 -1.06 -3.31 115.11 117.59 1ooy h GLN 127 Ca 0.06 -0.67 -0.09 0.00 0.77 0.00 0.00 58.65 58.71 1ooy h GLN 127 Cb 0.79 0.17 -0.01 0.00 0.21 0.00 0.00 27.48 28.64 1ooy h GLN 127 CO 0.06 1.27 -0.44 0.93 -1.93 0.00 0.00 178.83 178.72 1ooy h GLU 128 N 0.37 0.00 0.00 1.69 5.08 -0.84 0.12 114.58 121.00 1ooy h GLU 128 Ca -0.09 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.34 1ooy h GLU 128 Cb 1.53 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.76 1ooy h GLU 128 CO 0.18 0.44 -0.10 0.41 -1.00 0.00 0.00 179.01 178.94 1ooy n GLY 129 N 0.60 -2.12 0.00 -3.84 0.00 0.94 -4.18 105.19 96.59 1ooy n GLY 129 Ca 0.00 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.60 1ooy n GLY 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ooy n GLY 130 N -1.44 0.24 3.77 -0.02 0.00 0.56 -4.85 105.19 103.45 1ooy n GLY 130 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1ooy n GLY 130 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ooy s SER 131 N -2.43 6.89 -0.34 1.61 0.01 -1.26 -4.63 113.70 113.55 1ooy s SER 131 Ca 0.00 2.19 -0.29 0.00 1.31 0.00 0.00 55.95 59.16 1ooy s SER 131 Cb 0.00 -2.61 -0.01 0.00 0.21 0.00 0.00 66.02 63.62 1ooy s SER 131 CO 0.00 -0.41 1.56 -2.84 0.41 0.00 0.00 173.24 171.97 1ooy s PRO 132 N -2.07 3.57 -0.02 12.44 0.02 -1.26 -0.11 135.00 147.57 1ooy s PRO 132 Ca 0.53 1.26 0.03 0.00 0.02 0.00 0.00 61.00 62.84 1ooy s PRO 132 Cb -0.27 -4.07 -0.25 0.00 0.02 0.00 0.00 34.50 29.92 1ooy s PRO 132 CO 0.35 -1.56 0.77 0.82 -0.33 0.00 0.00 177.00 177.04 1ooy h ILE 133 N 6.47 1.04 -2.85 2.83 2.04 -0.86 -3.45 117.51 122.72 1ooy h ILE 133 Ca -0.31 -2.77 -0.14 0.00 1.00 0.00 0.00 64.86 62.65 1ooy h ILE 133 Cb 1.13 2.62 -0.25 0.00 -0.74 0.00 0.00 36.82 39.58 1ooy h ILE 133 CO 1.05 0.74 -0.32 -0.75 0.00 0.00 0.00 178.15 178.87 1ooy s LYS 134 N -2.61 0.39 0.26 2.37 2.20 -0.85 -0.47 119.74 121.03 1ooy s LYS 134 Ca -0.08 0.55 0.06 0.00 -0.36 0.00 0.00 55.97 56.13 1ooy s LYS 134 Cb 0.07 0.14 -0.03 0.00 -1.51 0.00 0.00 37.83 36.50 1ooy s LYS 134 CO 0.83 -0.08 0.35 0.71 -0.36 0.00 0.00 175.35 176.80 1ooy s TYR 135 N 0.48 3.30 0.55 4.03 2.02 -1.26 0.38 117.35 126.86 1ooy s TYR 135 Ca -0.02 -0.09 0.05 0.00 -0.37 0.00 0.00 57.07 56.64 1ooy s TYR 135 Cb -0.04 -1.63 0.05 0.00 -0.40 0.00 0.00 41.96 39.95 1ooy s TYR 135 CO -0.03 0.36 0.76 -0.80 -1.57 0.00 0.00 175.55 174.27 1ooy s ASN 136 N -3.99 5.19 0.23 2.29 0.01 0.18 -4.23 114.94 114.62 1ooy s ASN 136 Ca 0.36 -0.37 -0.07 0.00 -0.71 0.00 0.00 52.86 52.08 1ooy s ASN 136 Cb -0.09 -0.42 0.32 0.00 0.41 0.00 0.00 41.25 41.48 1ooy s ASN 136 CO 0.29 -1.20 1.81 0.11 -1.51 0.00 0.00 177.10 176.60 1ooy h LYS 137 N 0.16 0.74 0.00 -0.60 1.79 -1.86 -0.20 116.57 116.60 1ooy h LYS 137 Ca -0.38 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.05 1ooy h LYS 137 Cb 1.28 -0.17 0.00 0.00 -1.58 0.00 0.00 32.23 31.77 1ooy h LYS 137 CO 0.46 0.49 0.00 -0.40 -1.08 0.00 0.00 179.45 178.92 1ooy n ASP 138 N -4.75 0.00 0.00 0.86 5.75 -1.26 -4.82 116.55 112.33 1ooy n ASP 138 Ca 0.11 -1.38 0.00 0.00 -0.01 0.00 0.00 54.79 53.51 1ooy n ASP 138 Cb 0.22 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.31 1ooy n ASP 138 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ooy n GLY 139 N 0.33 0.85 3.90 6.12 0.00 -0.09 -5.03 105.19 111.27 1ooy n GLY 139 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 1ooy n GLY 139 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ooy s SER 140 N -2.77 4.98 -0.01 1.61 1.04 -1.26 -4.73 113.70 112.56 1ooy s SER 140 Ca 0.00 0.90 -0.27 0.00 0.48 0.00 0.00 55.95 57.06 1ooy s SER 140 Cb 0.00 -1.56 -0.04 0.00 0.10 0.00 0.00 66.02 64.52 1ooy s SER 140 CO 0.00 -1.60 0.85 -0.63 0.98 0.00 0.00 173.24 172.84 1ooy s ILE 141 N -3.43 4.88 -0.25 -1.02 1.09 -1.26 0.51 121.20 121.72 1ooy s ILE 141 Ca 0.60 1.79 -0.02 0.00 -1.10 0.00 0.00 60.65 61.91 1ooy s ILE 141 Cb -0.11 -4.19 -0.17 0.00 -1.06 0.00 0.00 42.46 36.93 1ooy s ILE 141 CO 0.50 0.23 -0.18 0.00 -0.10 0.00 0.00 174.94 175.39 1ooy n ALA 142 N 3.62 1.32 -3.54 9.38 0.00 0.16 -4.76 120.51 126.68 1ooy n ALA 142 Ca 0.02 -1.04 -0.15 0.00 0.00 0.00 0.00 53.44 52.27 1ooy n ALA 142 Cb 0.51 -0.13 -0.16 0.00 0.00 0.00 0.00 19.45 19.67 1ooy n ALA 142 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1ooy s ILE 143 N -2.52 0.06 0.18 0.00 1.01 -0.72 -4.95 121.20 114.27 1ooy s ILE 143 Ca -0.34 0.11 0.09 0.00 0.00 0.00 0.00 60.65 60.51 1ooy s ILE 143 Cb 0.10 -0.15 -0.04 0.00 0.01 0.00 0.00 42.46 42.37 1ooy s ILE 143 CO 0.60 0.10 -0.12 0.00 0.00 0.00 0.00 174.94 175.52 1ooy s ALA 144 N 0.80 2.88 0.62 9.38 0.00 -1.26 -0.35 121.76 133.85 1ooy s ALA 144 Ca -0.07 -1.49 -0.16 0.00 0.00 0.00 0.00 51.96 50.23 1ooy s ALA 144 Cb -0.10 -0.68 -0.02 0.00 0.00 0.00 0.00 23.12 22.32 1ooy s ALA 144 CO -0.02 0.47 1.12 -1.54 0.00 0.00 0.00 175.76 175.79 1ooy s SER 145 N -2.78 5.27 0.18 0.00 1.04 0.85 -4.78 113.70 113.48 1ooy s SER 145 Ca 0.24 2.07 -0.07 0.00 0.48 0.00 0.00 55.95 58.67 1ooy s SER 145 Cb -0.09 -2.56 -0.06 0.00 0.10 0.00 0.00 66.02 63.41 1ooy s SER 145 CO 0.14 -1.52 0.45 -0.54 0.98 0.00 0.00 173.24 172.76 1ooy s LYS 146 N -3.83 3.70 1.08 4.02 1.02 -1.26 -0.32 119.74 124.15 1ooy s LYS 146 Ca 0.69 0.07 -0.17 0.00 0.02 0.00 0.00 55.97 56.59 1ooy s LYS 146 Cb -0.22 -2.76 0.23 0.00 -0.52 0.00 0.00 37.83 34.57 1ooy s LYS 146 CO 0.37 0.40 1.16 -1.25 -0.92 0.00 0.00 175.35 175.11 1ooy s PRO 147 N -2.73 -0.27 0.03 -1.68 0.04 -1.26 -4.01 135.00 125.13 1ooy s PRO 147 Ca 0.44 -0.02 0.05 0.00 0.04 0.00 0.00 61.00 61.51 1ooy s PRO 147 Cb -0.12 -1.70 -0.02 0.00 0.04 0.00 0.00 34.50 32.70 1ooy s PRO 147 CO 0.23 -3.09 -0.14 1.03 0.04 0.00 0.00 177.00 175.07 1ooy s ARG 148 N -5.44 0.95 0.60 4.56 1.81 0.42 -4.85 118.95 117.00 1ooy s ARG 148 Ca 0.70 -0.73 -0.18 0.00 -1.72 0.00 0.00 55.73 53.80 1ooy s ARG 148 Cb -0.10 -0.95 -0.03 0.00 -0.45 0.00 0.00 34.95 33.41 1ooy s ARG 148 CO 0.55 0.24 1.14 -1.21 -0.68 0.00 0.00 175.30 175.34 1ooy s GLU 149 N -1.07 3.02 -0.06 3.54 2.02 -1.26 -4.78 118.70 120.12 1ooy s GLU 149 Ca 0.02 1.59 0.04 0.00 0.02 0.00 0.00 54.97 56.64 1ooy s GLU 149 Cb -0.08 -1.96 -0.02 0.00 0.10 0.00 0.00 34.13 32.17 1ooy s GLU 149 CO 0.01 -1.11 -0.19 0.08 0.02 0.00 0.00 175.26 174.07 1ooy s VAL 150 N -1.93 2.66 -0.06 2.63 1.01 -1.26 -0.83 120.40 122.62 1ooy s VAL 150 Ca 0.72 -0.86 -0.10 0.00 0.00 0.00 0.00 61.98 61.74 1ooy s VAL 150 Cb -0.24 -2.02 0.02 0.00 0.00 0.00 0.00 36.38 34.14 1ooy s VAL 150 CO 0.34 0.57 0.24 -0.60 0.00 0.00 0.00 175.10 175.66 1ooy s ARG 151 N -0.43 0.42 -0.00 2.72 3.52 0.05 -4.96 118.95 120.27 1ooy s ARG 151 Ca 0.05 0.06 -0.13 0.00 -0.13 0.00 0.00 55.73 55.58 1ooy s ARG 151 Cb -0.12 0.19 -0.06 0.00 -1.56 0.00 0.00 34.95 33.41 1ooy s ARG 151 CO 0.02 -0.09 0.38 -1.21 -0.81 0.00 0.00 175.30 173.59 1ooy s GLU 152 N -0.54 3.84 -0.04 5.12 8.01 -1.26 -0.76 118.70 133.07 1ooy s GLU 152 Ca -0.06 0.32 0.01 0.00 0.01 0.00 0.00 54.97 55.24 1ooy s GLU 152 Cb -0.04 -3.18 0.02 0.00 -4.31 0.00 0.00 34.13 26.62 1ooy s GLU 152 CO 0.02 0.68 -0.02 -0.06 0.01 0.00 0.00 175.26 175.89 1ooy s PHE 153 N -1.12 0.48 -1.55 1.61 0.08 -0.08 -4.86 117.98 112.53 1ooy s PHE 153 Ca 0.24 -0.08 -0.07 0.00 0.12 0.00 0.00 56.93 57.15 1ooy s PHE 153 Cb -0.16 -0.51 0.06 0.00 -0.57 0.00 0.00 43.02 41.84 1ooy s PHE 153 CO 0.13 -0.16 0.44 0.09 -0.10 0.00 0.00 175.22 175.63 1ooy n ASN 154 N 4.12 -0.98 0.00 1.36 3.02 -1.26 -0.77 115.26 120.75 1ooy n ASN 154 Ca -0.25 -1.08 0.00 0.00 -0.03 0.00 0.00 54.58 53.22 1ooy n ASN 154 Cb 0.51 -2.58 0.00 0.00 -0.61 0.00 0.00 39.78 37.10 1ooy n ASN 154 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ooy n GLY 155 N -1.89 1.46 3.46 7.41 0.00 -1.26 -5.02 105.19 109.35 1ooy n GLY 155 Ca -0.18 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.57 1ooy n GLY 155 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1ooy s GLN 156 N -0.08 1.67 -0.01 1.61 0.74 0.05 -5.10 119.66 118.54 1ooy s GLN 156 Ca 0.00 -1.40 -0.17 0.00 0.05 0.00 0.00 55.36 53.84 1ooy s GLN 156 Cb 0.00 -1.96 -0.06 0.00 1.10 0.00 0.00 33.01 32.09 1ooy s GLN 156 CO 0.00 0.42 0.47 -1.01 -0.55 0.00 0.00 175.29 174.62 1ooy s HIS 157 N -1.56 3.70 0.21 1.67 3.76 -1.26 -0.90 115.29 120.91 1ooy s HIS 157 Ca 0.21 1.04 0.03 0.00 -0.15 0.00 0.00 55.06 56.19 1ooy s HIS 157 Cb -0.09 -2.40 -0.05 0.00 1.11 0.00 0.00 32.58 31.15 1ooy s HIS 157 CO 0.11 0.52 0.01 -0.06 -0.85 0.00 0.00 174.74 174.47 1ooy s PHE 158 N -0.70 1.43 0.15 1.40 0.40 0.06 -4.62 117.98 116.09 1ooy s PHE 158 Ca 0.26 -0.98 0.10 0.00 -0.60 0.00 0.00 56.93 55.70 1ooy s PHE 158 Cb -0.17 -0.82 -0.04 0.00 0.51 0.00 0.00 43.02 42.50 1ooy s PHE 158 CO 0.14 -0.13 -0.22 0.96 0.70 0.00 0.00 175.22 176.67 1ooy s ILE 159 N -3.54 2.03 -0.13 0.64 -4.36 0.11 -0.77 121.20 115.18 1ooy s ILE 159 Ca 0.28 -1.83 -0.22 0.00 -0.26 0.00 0.00 60.65 58.62 1ooy s ILE 159 Cb 0.06 -1.88 -0.03 0.00 1.25 0.00 0.00 42.46 41.85 1ooy s ILE 159 CO 0.07 -0.11 0.66 -0.22 0.24 0.00 0.00 174.94 175.58 1ooy s LEU 160 N -2.36 4.23 0.05 0.37 2.96 -0.01 -0.99 118.68 122.92 1ooy s LEU 160 Ca 0.14 1.00 0.08 0.00 -0.22 0.00 0.00 54.13 55.14 1ooy s LEU 160 Cb -0.08 -2.97 -0.03 0.00 0.50 0.00 0.00 46.19 43.61 1ooy s LEU 160 CO 0.07 -0.19 -0.23 -1.61 -1.32 0.00 0.00 176.35 173.07 1ooy s GLU 161 N 1.34 1.55 0.13 1.98 0.41 0.05 -4.37 118.70 119.78 1ooy s GLU 161 Ca 0.33 -1.01 0.04 0.00 -0.41 0.00 0.00 54.97 53.91 1ooy s GLU 161 Cb -0.16 -1.69 -0.04 0.00 -1.78 0.00 0.00 34.13 30.46 1ooy s GLU 161 CO 0.13 0.43 0.12 -1.21 -0.49 0.00 0.00 175.26 174.24 1ooy s GLU 162 N -1.21 2.92 0.56 1.61 2.02 -1.26 -0.87 118.70 122.46 1ooy s GLU 162 Ca 0.09 -0.78 -0.21 0.00 0.02 0.00 0.00 54.97 54.10 1ooy s GLU 162 Cb -0.09 -2.70 -0.05 0.00 0.10 0.00 0.00 34.13 31.39 1ooy s GLU 162 CO 0.02 0.52 1.17 0.00 0.02 0.00 0.00 175.26 176.99 1ooy n ALA 163 N -0.00 0.87 -3.21 5.21 0.00 0.18 -4.76 120.51 118.79 1ooy n ALA 163 Ca -0.08 0.09 -0.33 0.00 0.00 0.00 0.00 53.44 53.12 1ooy n ALA 163 Cb 0.53 -2.23 -0.15 0.00 0.00 0.00 0.00 19.45 17.61 1ooy n ALA 163 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1ooy s ILE 164 N -1.37 2.92 0.12 0.00 1.01 -0.10 -4.88 121.20 118.89 1ooy s ILE 164 Ca 0.73 -0.70 0.07 0.00 0.00 0.00 0.00 60.65 60.75 1ooy s ILE 164 Cb -0.43 -2.23 -0.04 0.00 0.01 0.00 0.00 42.46 39.77 1ooy s ILE 164 CO 0.49 0.52 -0.17 -0.13 0.00 0.00 0.00 174.94 175.64 1ooy s ARG 165 N 0.55 1.08 0.41 2.79 0.52 -1.26 -3.81 118.95 119.22 1ooy s ARG 165 Ca -0.09 -1.20 0.07 0.00 -0.52 0.00 0.00 55.73 54.00 1ooy s ARG 165 Cb -0.16 -1.15 -0.08 0.00 0.52 0.00 0.00 34.95 34.08 1ooy s ARG 165 CO 0.04 0.25 0.01 0.20 0.02 0.00 0.00 175.30 175.81 1ooy s GLY 166 N -2.18 2.49 0.09 -3.53 0.00 0.43 -4.96 107.32 99.67 1ooy s GLY 166 Ca 0.08 -2.29 -0.08 0.00 0.00 0.00 0.00 44.72 42.42 1ooy s GLY 166 CO 0.04 -2.09 1.21 -0.55 0.00 0.00 0.00 173.10 171.71 1ooy h ASP 167 N 1.78 0.66 -4.80 1.64 3.32 -0.75 -1.39 116.42 116.88 1ooy h ASP 167 Ca -0.44 -0.58 -0.20 0.00 0.02 0.00 0.00 57.03 55.83 1ooy h ASP 167 Cb 1.24 -0.21 -0.16 0.00 0.22 0.00 0.00 39.33 40.42 1ooy h ASP 167 CO 0.80 1.39 -0.70 -0.36 -1.72 0.00 0.00 179.24 178.66 1ooy s PHE 168 N -3.11 0.74 -0.02 4.55 0.40 -0.99 -1.41 117.98 118.14 1ooy s PHE 168 Ca -0.07 -0.87 0.03 0.00 -0.60 0.00 0.00 56.93 55.42 1ooy s PHE 168 Cb 0.07 -0.45 -0.00 0.00 0.51 0.00 0.00 43.02 43.15 1ooy s PHE 168 CO 0.89 -0.20 -0.11 0.00 0.70 0.00 0.00 175.22 176.50 1ooy s ALA 169 N -3.27 1.02 -0.31 5.36 0.00 -0.49 -0.10 121.76 123.97 1ooy s ALA 169 Ca 0.06 -0.45 -0.02 0.00 0.00 0.00 0.00 51.96 51.55 1ooy s ALA 169 Cb 0.03 -0.33 0.05 0.00 0.00 0.00 0.00 23.12 22.87 1ooy s ALA 169 CO -0.05 0.20 0.01 -0.51 0.00 0.00 0.00 175.76 175.41 1ooy s LEU 170 N 0.01 3.96 -0.08 0.00 1.43 0.17 -0.47 118.68 123.70 1ooy s LEU 170 Ca -0.01 -1.29 0.03 0.00 -1.03 0.00 0.00 54.13 51.84 1ooy s LEU 170 Cb -0.08 -1.72 -0.01 0.00 0.03 0.00 0.00 46.19 44.40 1ooy s LEU 170 CO 0.00 -0.27 -0.19 -0.69 0.23 0.00 0.00 176.35 175.44 1ooy s VAL 171 N 1.26 2.61 -0.13 -1.59 1.01 0.12 -1.36 120.40 122.32 1ooy s VAL 171 Ca -0.05 -0.85 -0.06 0.00 0.00 0.00 0.00 61.98 61.02 1ooy s VAL 171 Cb -0.20 -2.02 -0.04 0.00 0.00 0.00 0.00 36.38 34.12 1ooy s VAL 171 CO -0.01 0.56 0.10 -0.75 0.00 0.00 0.00 175.10 175.00 1ooy s LYS 172 N -0.09 3.46 0.25 2.72 2.47 -1.26 -0.45 119.74 126.83 1ooy s LYS 172 Ca -0.04 -0.23 -0.01 0.00 -1.56 0.00 0.00 55.97 54.13 1ooy s LYS 172 Cb -0.14 -3.12 -0.03 0.00 -1.46 0.00 0.00 37.83 33.08 1ooy s LYS 172 CO 0.04 0.66 0.24 0.00 0.16 0.00 0.00 175.35 176.45 1ooy s ALA 173 N -0.71 1.09 -0.07 3.13 0.00 0.14 -4.85 121.76 120.50 1ooy s ALA 173 Ca 0.13 -1.65 -0.03 0.00 0.00 0.00 0.00 51.96 50.40 1ooy s ALA 173 Cb -0.12 1.34 -0.01 0.00 0.00 0.00 0.00 23.12 24.34 1ooy s ALA 173 CO 0.03 -0.66 -0.05 2.35 0.00 0.00 0.00 175.76 177.42 1ooy h TRP 174 N 2.42 0.00 -3.82 0.00 7.01 -0.98 -3.16 115.95 117.43 1ooy h TRP 174 Ca -0.32 0.00 -0.44 0.00 2.11 0.00 0.00 58.89 60.25 1ooy h TRP 174 Cb 1.25 0.00 -0.20 0.00 -2.10 0.00 0.00 29.16 28.10 1ooy h TRP 174 CO 0.76 0.00 -0.78 0.15 -2.79 0.00 0.00 178.44 175.78 1ooy s LYS 175 N -1.51 0.94 0.04 2.65 1.02 -1.15 -0.80 119.74 120.92 1ooy s LYS 175 Ca -0.04 -1.09 0.05 0.00 0.02 0.00 0.00 55.97 54.91 1ooy s LYS 175 Cb 0.01 -0.95 -0.02 0.00 -0.52 0.00 0.00 37.83 36.35 1ooy s LYS 175 CO 0.06 0.20 -0.15 0.00 -0.92 0.00 0.00 175.35 174.54 1ooy s ALA 176 N -1.55 1.28 0.77 5.17 0.00 -0.55 -1.21 121.76 125.66 1ooy s ALA 176 Ca 0.03 -0.88 -0.02 0.00 0.00 0.00 0.00 51.96 51.09 1ooy s ALA 176 Cb -0.08 -0.20 0.15 0.00 0.00 0.00 0.00 23.12 22.98 1ooy s ALA 176 CO 0.03 0.25 1.05 0.16 0.00 0.00 0.00 175.76 177.25 1ooy s ASP 177 N -1.20 4.07 0.00 0.00 1.47 0.26 -0.21 116.67 121.06 1ooy s ASP 177 Ca 0.02 -0.40 0.14 0.00 1.18 0.00 0.00 52.55 53.49 1ooy s ASP 177 Cb -0.08 0.15 0.69 0.00 -0.34 0.00 0.00 42.92 43.33 1ooy s ASP 177 CO 0.01 -2.06 1.41 0.00 0.68 0.00 0.00 175.17 175.21 1ooy n GLN 178 N -2.99 0.15 0.03 2.11 1.13 -0.40 -1.36 117.38 116.05 1ooy n GLN 178 Ca 0.16 0.18 0.11 0.00 -1.94 0.00 0.00 57.00 55.52 1ooy n GLN 178 Cb 0.61 -1.50 0.03 0.00 0.11 0.00 0.00 30.24 29.49 1ooy n GLN 178 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ooy n ALA 179 N -1.35 3.43 0.00 -1.58 0.00 -1.26 -4.96 120.51 114.79 1ooy n ALA 179 Ca 0.06 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.10 1ooy n ALA 179 Cb 0.13 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.60 1ooy n ALA 179 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ooy n GLY 180 N 1.38 0.90 3.79 0.00 0.00 -0.46 -4.43 105.19 106.36 1ooy n GLY 180 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 1ooy n GLY 180 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ooy s ASN 181 N -2.21 6.38 0.06 1.61 -0.87 -1.26 -3.93 114.94 114.72 1ooy s ASN 181 Ca 0.00 2.02 0.02 0.00 -1.57 0.00 0.00 52.86 53.34 1ooy s ASN 181 Cb 0.00 -2.57 -0.03 0.00 -0.02 0.00 0.00 41.25 38.63 1ooy s ASN 181 CO 0.00 -0.75 -0.08 -0.69 -2.57 0.00 0.00 177.10 173.00 1ooy s VAL 182 N -1.82 0.65 0.20 1.60 1.01 -0.26 -0.57 120.40 121.20 1ooy s VAL 182 Ca 0.65 -1.33 0.05 0.00 0.00 0.00 0.00 61.98 61.35 1ooy s VAL 182 Cb -0.20 -0.94 -0.05 0.00 0.00 0.00 0.00 36.38 35.20 1ooy s VAL 182 CO 0.24 -0.49 -0.06 0.42 0.00 0.00 0.00 175.10 175.21 1ooy s THR 183 N -1.94 1.21 0.08 3.92 -4.23 -0.35 -1.07 115.64 113.25 1ooy s THR 183 Ca -0.03 -2.07 0.08 0.00 -1.18 0.00 0.00 61.69 58.48 1ooy s THR 183 Cb -0.06 -2.13 -0.03 0.00 1.34 0.00 0.00 72.50 71.61 1ooy s THR 183 CO -0.01 -0.51 -0.20 -0.36 -0.54 0.00 0.00 174.62 173.00 1ooy s PHE 184 N -3.31 1.73 -0.21 3.99 0.08 -1.26 -0.36 117.98 118.65 1ooy s PHE 184 Ca 0.23 -0.41 -0.08 0.00 0.12 0.00 0.00 56.93 56.79 1ooy s PHE 184 Cb 0.04 -0.98 -0.04 0.00 -0.57 0.00 0.00 43.02 41.47 1ooy s PHE 184 CO 0.06 0.16 0.10 0.50 -0.10 0.00 0.00 175.22 175.93 1ooy s ARG 185 N -1.69 3.98 2.47 0.44 3.52 -1.26 -4.86 118.95 121.55 1ooy s ARG 185 Ca 0.06 -0.33 0.00 0.00 -0.13 0.00 0.00 55.73 55.33 1ooy s ARG 185 Cb -0.10 -3.33 0.00 0.00 -1.56 0.00 0.00 34.95 29.96 1ooy s ARG 185 CO 0.03 0.16 0.00 1.63 -0.81 0.00 0.00 175.30 176.31 1ooy n LYS 186 N 3.93 0.00 -0.15 5.12 5.02 -1.26 -1.15 118.16 129.66 1ooy n LYS 186 Ca -0.16 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.18 1ooy n LYS 186 Cb 0.52 0.00 0.13 0.00 -0.02 0.00 0.00 35.03 35.66 1ooy n LYS 186 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1ooy n SER 187 N 1.98 1.59 0.00 4.39 3.41 -0.02 -3.49 113.62 121.48 1ooy n SER 187 Ca 0.00 -2.00 0.14 0.00 -0.26 0.00 0.00 58.87 56.75 1ooy n SER 187 Cb 0.00 -0.20 0.72 0.00 -0.26 0.00 0.00 64.21 64.47 1ooy n SER 187 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ooy n ALA 188 N 0.37 2.41 0.35 7.33 0.00 -0.30 -3.69 120.51 126.98 1ooy n ALA 188 Ca 0.10 -0.13 -0.14 0.00 0.00 0.00 0.00 53.44 53.27 1ooy n ALA 188 Cb 0.25 -1.46 -0.07 0.00 0.00 0.00 0.00 19.45 18.17 1ooy n ALA 188 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1ooy h ARG 189 N 0.00 -0.88 0.00 0.00 2.43 -1.69 -3.38 114.38 110.85 1ooy h ARG 189 Ca 0.00 0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1ooy h ARG 189 Cb 0.27 0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 1ooy h ARG 189 CO 0.00 -0.59 0.00 0.27 -1.51 0.00 0.00 179.97 178.14 1ooy n ASN 190 N -5.24 0.00 0.08 -3.80 0.23 -1.24 -0.25 115.26 105.03 1ooy n ASN 190 Ca -0.11 0.00 0.13 0.00 -0.53 0.00 0.00 54.58 54.07 1ooy n ASN 190 Cb 0.36 0.00 0.43 0.00 -2.08 0.00 0.00 39.78 38.49 1ooy n ASN 190 CO 0.00 0.00 0.00 0.49 -0.93 0.00 0.00 177.26 176.82 1ooy n PHE 191 N 2.67 0.74 -0.28 -2.53 3.01 -1.26 -0.49 117.46 119.32 1ooy n PHE 191 Ca 0.00 0.21 0.01 0.00 1.01 0.00 0.00 57.45 58.68 1ooy n PHE 191 Cb 0.00 -0.84 0.14 0.00 -0.01 0.00 0.00 39.48 38.76 1ooy n PHE 191 CO 0.00 0.00 0.00 -0.91 1.01 0.00 0.00 176.76 176.86 1ooy h ASN 192 N 0.00 0.69 0.27 4.37 2.35 -0.89 -0.94 115.58 121.43 1ooy h ASN 192 Ca 0.00 0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.77 1ooy h ASN 192 Cb 0.69 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.96 1ooy h ASN 192 CO 0.00 0.42 -0.13 0.25 -1.65 0.00 0.00 177.43 176.33 1ooy h LEU 193 N 0.82 -0.31 -1.00 1.61 6.46 -1.68 -2.07 115.31 119.14 1ooy h LEU 193 Ca 0.36 -0.12 -0.10 0.00 -0.12 0.00 0.00 57.88 57.90 1ooy h LEU 193 Cb 0.24 0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 40.24 1ooy h LEU 193 CO -0.20 -0.06 -0.48 1.55 -0.62 0.00 0.00 178.44 178.62 1ooy h PRO 194 N -0.55 0.00 0.00 5.25 0.13 -1.76 -2.41 132.00 132.66 1ooy h PRO 194 Ca -0.04 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.06 1ooy h PRO 194 Cb 0.41 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.53 1ooy h PRO 194 CO 0.06 0.48 -0.16 0.52 -0.23 0.00 0.00 178.00 178.68 1ooy h MET 195 N 0.00 0.00 0.00 0.86 2.86 -1.06 -1.47 114.93 116.12 1ooy h MET 195 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1ooy h MET 195 Cb 0.88 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.54 1ooy h MET 195 CO 0.06 0.16 0.00 0.00 1.06 0.00 0.00 176.91 178.19 1ooy n LYS 197 N -2.07 1.97 -0.45 0.00 5.02 -0.56 -4.65 118.16 117.42 1ooy n LYS 197 Ca 0.01 -0.61 0.06 0.00 -2.02 0.00 0.00 58.31 55.74 1ooy n LYS 197 Cb 0.12 -1.19 0.21 0.00 -0.02 0.00 0.00 35.03 34.15 1ooy n LYS 197 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ooy n ALA 198 N -0.36 3.18 -2.37 7.82 0.00 -1.07 -3.87 120.51 123.84 1ooy n ALA 198 Ca 0.05 -2.71 -0.12 0.00 0.00 0.00 0.00 53.44 50.66 1ooy n ALA 198 Cb 0.28 -0.59 -0.10 0.00 0.00 0.00 0.00 19.45 19.03 1ooy n ALA 198 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ooy s ALA 199 N -2.99 0.97 0.23 0.00 0.00 -1.26 -0.42 121.76 118.29 1ooy s ALA 199 Ca 0.40 -1.22 -0.06 0.00 0.00 0.00 0.00 51.96 51.07 1ooy s ALA 199 Cb 0.34 0.10 0.23 0.00 0.00 0.00 0.00 23.12 23.79 1ooy s ALA 199 CO 0.03 -0.14 1.82 1.49 0.00 0.00 0.00 175.76 178.96 1ooy h GLU 200 N 3.35 1.16 -4.23 0.00 4.81 -1.08 -3.39 114.58 115.21 1ooy h GLU 200 Ca -0.36 -0.18 -0.56 0.00 -0.13 0.00 0.00 59.36 58.12 1ooy h GLU 200 Cb 1.18 -0.20 -0.38 0.00 0.63 0.00 0.00 28.75 29.98 1ooy h GLU 200 CO 0.58 0.91 -0.80 0.99 -0.73 0.00 0.00 179.01 179.96 1ooy s THR 201 N -5.60 1.20 -0.18 0.32 2.01 -0.50 -5.02 115.64 107.86 1ooy s THR 201 Ca -0.12 -0.69 -0.12 0.00 0.31 0.00 0.00 61.69 61.07 1ooy s THR 201 Cb 0.16 -1.35 -0.05 0.00 0.01 0.00 0.00 72.50 71.27 1ooy s THR 201 CO 0.83 0.14 0.22 -0.89 -0.69 0.00 0.00 174.62 174.22 1ooy s THR 202 N 1.60 5.35 -0.15 -0.82 2.01 -1.26 -1.39 115.64 120.98 1ooy s THR 202 Ca 0.00 0.38 0.01 0.00 0.31 0.00 0.00 61.69 62.40 1ooy s THR 202 Cb -0.15 -3.56 0.01 0.00 0.01 0.00 0.00 72.50 68.81 1ooy s THR 202 CO -0.08 0.41 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.38 1ooy s VAL 203 N 0.45 2.31 -0.07 3.82 1.01 0.37 -1.00 120.40 127.29 1ooy s VAL 203 Ca 0.12 -0.89 0.04 0.00 0.00 0.00 0.00 61.98 61.25 1ooy s VAL 203 Cb -0.12 -1.95 -0.01 0.00 0.00 0.00 0.00 36.38 34.30 1ooy s VAL 203 CO 0.01 0.53 -0.21 -0.69 0.00 0.00 0.00 175.10 174.75 1ooy s VAL 204 N 0.85 2.42 -0.08 2.92 1.01 0.63 -0.70 120.40 127.43 1ooy s VAL 204 Ca -0.06 -0.93 -0.00 0.00 0.00 0.00 0.00 61.98 60.99 1ooy s VAL 204 Cb -0.15 -1.92 -0.03 0.00 0.00 0.00 0.00 36.38 34.27 1ooy s VAL 204 CO -0.02 0.56 -0.05 -1.83 0.00 0.00 0.00 175.10 173.76 1ooy s GLU 205 N -0.12 2.93 0.21 2.72 -1.05 0.41 -0.68 118.70 123.12 1ooy s GLU 205 Ca -0.04 -0.52 0.06 0.00 -0.15 0.00 0.00 54.97 54.32 1ooy s GLU 205 Cb -0.14 -2.67 -0.05 0.00 -0.44 0.00 0.00 34.13 30.83 1ooy s GLU 205 CO 0.04 0.60 -0.10 0.14 0.95 0.00 0.00 175.26 176.90 1ooy s VAL 206 N -0.64 1.50 -0.07 1.83 -7.23 -0.06 -0.69 120.40 115.05 1ooy s VAL 206 Ca 0.10 -2.14 0.13 0.00 -1.81 0.00 0.00 61.98 58.26 1ooy s VAL 206 Cb -0.12 -2.14 -0.00 0.00 0.56 0.00 0.00 36.38 34.68 1ooy s VAL 206 CO 0.02 -0.52 1.42 -0.33 -0.31 0.00 0.00 175.10 175.38 1ooy h GLU 207 N 2.52 0.00 -2.55 4.82 5.08 -0.93 0.19 114.58 123.72 1ooy h GLU 207 Ca -0.38 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 57.88 1ooy h GLU 207 Cb 1.22 0.00 -0.23 0.00 0.50 0.00 0.00 28.75 30.24 1ooy h GLU 207 CO 0.64 0.62 -0.14 -1.21 -1.00 0.00 0.00 179.01 177.92 1ooy s GLU 208 N -2.93 0.57 -0.18 2.33 2.02 -0.93 -4.82 118.70 114.76 1ooy s GLU 208 Ca 0.03 0.68 -0.07 0.00 0.02 0.00 0.00 54.97 55.64 1ooy s GLU 208 Cb 0.08 0.28 -0.04 0.00 0.10 0.00 0.00 34.13 34.55 1ooy s GLU 208 CO 0.76 -0.07 0.05 0.42 0.02 0.00 0.00 175.26 176.44 1ooy s ILE 209 N 0.27 4.65 0.34 -1.63 1.01 -1.26 -1.49 121.20 123.09 1ooy s ILE 209 Ca -0.00 -0.08 0.10 0.00 0.00 0.00 0.00 60.65 60.66 1ooy s ILE 209 Cb -0.03 -3.09 -0.06 0.00 0.01 0.00 0.00 42.46 39.28 1ooy s ILE 209 CO 0.01 0.46 -0.09 0.68 0.00 0.00 0.00 174.94 176.00 1ooy s VAL 210 N 0.39 2.29 0.55 2.92 -7.23 0.70 -4.95 120.40 115.08 1ooy s VAL 210 Ca 0.02 -2.19 -0.20 0.00 -1.81 0.00 0.00 61.98 57.79 1ooy s VAL 210 Cb -0.13 -2.64 -0.05 0.00 0.56 0.00 0.00 36.38 34.12 1ooy s VAL 210 CO 0.01 -0.21 1.21 -1.81 -0.31 0.00 0.00 175.10 173.99 1ooy s ASP 211 N -3.61 5.48 0.33 4.85 1.01 -1.26 -1.27 116.67 122.19 1ooy s ASP 211 Ca 0.33 2.40 -0.29 0.00 0.71 0.00 0.00 52.55 55.70 1ooy s ASP 211 Cb 0.02 -2.60 -0.11 0.00 1.01 0.00 0.00 42.92 41.23 1ooy s ASP 211 CO 0.17 -1.40 1.54 -0.63 0.21 0.00 0.00 175.17 175.06 1ooy s ILE 212 N -1.56 2.06 0.00 0.77 1.01 -1.26 -1.06 121.20 121.15 1ooy s ILE 212 Ca 0.73 0.05 0.00 0.00 0.00 0.00 0.00 60.65 61.43 1ooy s ILE 212 Cb -0.31 -3.03 0.00 0.00 0.01 0.00 0.00 42.46 39.13 1ooy s ILE 212 CO 0.35 0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.91 1ooy n GLY 213 N 1.32 0.07 0.20 6.18 0.00 -1.26 -4.91 105.19 106.80 1ooy n GLY 213 Ca 0.05 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.13 1ooy n GLY 213 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1ooy h SER 214 N 0.00 0.00 -3.01 1.61 0.02 -1.45 -3.43 113.55 107.29 1ooy h SER 214 Ca 0.00 0.00 -0.64 0.00 -0.84 0.00 0.00 61.79 60.31 1ooy h SER 214 Cb 0.00 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.47 1ooy h SER 214 CO 0.00 0.32 -0.54 -0.36 -1.14 0.00 0.00 176.83 175.11 1ooy s PHE 215 N -3.93 3.38 0.19 3.45 0.08 -1.26 -5.07 117.98 114.82 1ooy s PHE 215 Ca -0.02 0.22 -0.30 0.00 0.12 0.00 0.00 56.93 56.95 1ooy s PHE 215 Cb 0.13 -1.73 -0.08 0.00 -0.57 0.00 0.00 43.02 40.76 1ooy s PHE 215 CO 0.68 0.57 1.15 0.00 -0.10 0.00 0.00 175.22 177.53 1ooy s ALA 216 N -1.36 3.41 0.43 5.36 0.00 -1.26 -4.90 121.76 123.45 1ooy s ALA 216 Ca 0.29 0.90 0.18 0.00 0.00 0.00 0.00 51.96 53.33 1ooy s ALA 216 Cb -0.12 -3.38 1.11 0.00 0.00 0.00 0.00 23.12 20.72 1ooy s ALA 216 CO 0.21 -0.30 1.89 -1.35 0.00 0.00 0.00 175.76 176.21 1ooy h PRO 217 N 5.03 0.36 0.00 0.00 0.11 -1.97 0.29 132.00 135.82 1ooy h PRO 217 Ca -0.45 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.62 1ooy h PRO 217 Cb 1.21 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 1ooy h PRO 217 CO 0.73 0.24 -0.09 0.93 -0.21 0.00 0.00 178.00 179.59 1ooy h GLU 218 N 0.37 0.00 -0.36 1.05 3.07 -2.05 -3.20 114.58 113.45 1ooy h GLU 218 Ca 0.42 0.00 -0.15 0.00 -0.50 0.00 0.00 59.36 59.13 1ooy h GLU 218 Cb 1.09 0.00 -0.09 0.00 -0.84 0.00 0.00 28.75 28.91 1ooy h GLU 218 CO -0.14 0.09 -0.01 -0.25 -1.40 0.00 0.00 179.01 177.30 1ooy n ASP 219 N -3.28 2.90 -4.62 1.42 8.00 0.10 -4.92 116.55 116.15 1ooy n ASP 219 Ca -0.00 -3.57 -0.41 0.00 0.71 0.00 0.00 54.79 51.52 1ooy n ASP 219 Cb 0.31 -0.62 -0.06 0.00 -0.02 0.00 0.00 41.12 40.73 1ooy n ASP 219 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1ooy s ILE 220 N -3.14 4.91 0.11 0.53 1.01 -1.17 -4.81 121.20 118.64 1ooy s ILE 220 Ca 0.45 1.20 -0.07 0.00 0.00 0.00 0.00 60.65 62.23 1ooy s ILE 220 Cb 0.39 -4.02 -0.20 0.00 0.01 0.00 0.00 42.46 38.64 1ooy s ILE 220 CO 0.03 -0.06 1.27 0.45 0.00 0.00 0.00 174.94 176.62 1ooy h HIS 221 N 7.92 0.73 -3.43 3.97 3.86 -1.77 -3.41 115.15 123.02 1ooy h HIS 221 Ca -0.25 -0.40 -0.57 0.00 -1.16 0.00 0.00 60.37 57.98 1ooy h HIS 221 Cb 1.11 -0.08 -0.39 0.00 1.06 0.00 0.00 27.41 29.11 1ooy h HIS 221 CO 0.76 1.23 -0.77 0.42 0.86 0.00 0.00 177.93 180.43 1ooy s ILE 222 N -3.26 1.07 0.63 2.45 -1.09 -0.24 -5.02 121.20 115.75 1ooy s ILE 222 Ca -0.07 -1.02 -0.18 0.00 -2.23 0.00 0.00 60.65 57.15 1ooy s ILE 222 Cb 0.08 -1.51 -0.02 0.00 -1.58 0.00 0.00 42.46 39.44 1ooy s ILE 222 CO 0.88 -0.24 1.24 -2.84 -1.23 0.00 0.00 174.94 172.76 1ooy s PRO 223 N 1.59 2.71 0.64 2.79 0.02 -1.26 -1.10 135.00 140.38 1ooy s PRO 223 Ca -0.01 1.92 0.34 0.00 0.02 0.00 0.00 61.00 63.26 1ooy s PRO 223 Cb -0.18 -1.88 1.89 0.00 0.02 0.00 0.00 34.50 34.34 1ooy s PRO 223 CO -0.09 -1.43 2.13 1.57 -0.33 0.00 0.00 177.00 178.84 1ooy h LYS 224 N 0.62 0.00 -0.12 5.54 2.10 -1.88 -1.39 116.57 121.44 1ooy h LYS 224 Ca -0.50 0.00 0.03 0.00 -2.00 0.00 0.00 60.65 58.18 1ooy h LYS 224 Cb 1.31 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.64 1ooy h LYS 224 CO 0.54 0.00 0.13 0.97 -2.00 0.00 0.00 179.45 179.08 1ooy h ILE 225 N 0.00 0.55 -0.01 0.07 2.10 -1.89 -0.05 117.51 118.27 1ooy h ILE 225 Ca 0.03 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.97 1ooy h ILE 225 Cb 0.40 0.90 0.00 0.00 -1.09 0.00 0.00 36.82 37.03 1ooy h ILE 225 CO -0.00 0.00 -0.37 -1.22 -1.08 0.00 0.00 178.15 175.48 1ooy n TYR 226 N -3.91 0.00 -3.51 2.19 4.01 -0.52 -4.77 117.16 110.65 1ooy n TYR 226 Ca -0.00 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.32 1ooy n TYR 226 Cb 0.24 -0.14 -0.08 0.00 -0.31 0.00 0.00 39.34 39.05 1ooy n TYR 226 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1ooy s VAL 227 N -2.65 4.45 -0.03 -0.72 1.01 -0.03 -4.68 120.40 117.74 1ooy s VAL 227 Ca 0.20 -1.64 -0.14 0.00 0.00 0.00 0.00 61.98 60.40 1ooy s VAL 227 Cb 0.19 -3.87 -0.32 0.00 0.00 0.00 0.00 36.38 32.38 1ooy s VAL 227 CO 0.59 -0.74 0.76 0.45 0.00 0.00 0.00 175.10 176.15 1ooy h HIS 228 N 8.54 0.76 -4.03 5.22 3.86 -1.77 -3.34 115.15 124.38 1ooy h HIS 228 Ca -0.23 -0.55 -0.50 0.00 -1.16 0.00 0.00 60.37 57.92 1ooy h HIS 228 Cb 1.08 -0.03 -0.30 0.00 1.06 0.00 0.00 27.41 29.22 1ooy h HIS 228 CO 0.65 1.62 -0.82 1.03 0.86 0.00 0.00 177.93 181.27 1ooy s ARG 229 N -2.56 1.33 -0.02 2.45 0.52 -0.17 -0.92 118.95 119.57 1ooy s ARG 229 Ca -0.14 -0.50 0.01 0.00 -0.52 0.00 0.00 55.73 54.58 1ooy s ARG 229 Cb 0.05 -1.23 0.01 0.00 0.52 0.00 0.00 34.95 34.30 1ooy s ARG 229 CO 0.87 0.25 -0.05 -1.17 0.02 0.00 0.00 175.30 175.21 1ooy s LEU 230 N -0.10 1.63 0.03 2.53 1.98 -0.04 -0.27 118.68 124.44 1ooy s LEU 230 Ca 0.01 -0.12 0.02 0.00 -2.89 0.00 0.00 54.13 51.15 1ooy s LEU 230 Cb -0.08 -0.38 -0.02 0.00 0.66 0.00 0.00 46.19 46.37 1ooy s LEU 230 CO 0.01 0.01 -0.06 0.54 -1.89 0.00 0.00 176.35 174.95 1ooy s VAL 231 N 0.43 0.43 -0.14 1.68 0.11 0.14 -0.09 120.40 122.96 1ooy s VAL 231 Ca -0.05 -0.83 -0.23 0.00 -2.93 0.00 0.00 61.98 57.93 1ooy s VAL 231 Cb -0.09 -0.48 -0.03 0.00 -1.53 0.00 0.00 36.38 34.25 1ooy s VAL 231 CO -0.00 -0.28 0.72 -0.75 -3.33 0.00 0.00 175.10 171.46 1ooy s LYS 232 N -1.19 4.33 0.31 1.54 2.20 -1.26 -0.88 119.74 124.78 1ooy s LYS 232 Ca -0.08 0.84 -0.29 0.00 -0.36 0.00 0.00 55.97 56.08 1ooy s LYS 232 Cb -0.08 -3.52 -0.10 0.00 -1.51 0.00 0.00 37.83 32.61 1ooy s LYS 232 CO 0.00 -0.14 1.37 0.20 -0.36 0.00 0.00 175.35 176.42 1ooy s GLY 233 N 1.02 2.77 0.18 5.54 0.00 0.66 -4.85 107.32 112.64 1ooy s GLY 233 Ca 0.35 1.33 -0.01 0.00 0.00 0.00 0.00 44.72 46.38 1ooy s GLY 233 CO 0.14 2.08 1.44 -2.09 0.00 0.00 0.00 173.10 174.67 1ooy h GLU 234 N 3.88 0.41 -3.45 2.90 4.57 -1.95 -3.45 114.58 117.48 1ooy h GLU 234 Ca -0.48 -0.33 -0.28 0.00 -1.18 0.00 0.00 59.36 57.09 1ooy h GLU 234 Cb 1.23 0.07 -0.33 0.00 -0.16 0.00 0.00 28.75 29.55 1ooy h GLU 234 CO 0.69 0.97 -0.69 0.21 -1.18 0.00 0.00 179.01 179.01 1ooy s LYS 235 N -3.63 0.00 -0.18 1.92 2.47 -1.26 -5.12 119.74 113.94 1ooy s LYS 235 Ca -0.06 0.23 0.01 0.00 -1.56 0.00 0.00 55.97 54.59 1ooy s LYS 235 Cb 0.10 -0.21 0.03 0.00 -1.46 0.00 0.00 37.83 36.30 1ooy s LYS 235 CO 0.84 -0.16 -0.13 0.71 0.16 0.00 0.00 175.35 176.77 1ooy s TYR 236 N 1.03 2.44 -0.59 4.03 2.02 -1.26 -4.64 117.35 120.39 1ooy s TYR 236 Ca -0.08 -1.53 0.25 0.00 -0.37 0.00 0.00 57.07 55.34 1ooy s TYR 236 Cb -0.12 -1.68 0.74 0.00 -0.40 0.00 0.00 41.96 40.50 1ooy s TYR 236 CO -0.04 -0.74 1.74 0.93 -1.57 0.00 0.00 175.55 175.87 1ooy h GLU 237 N 7.98 0.00 -6.44 -0.62 5.08 -2.00 -3.47 114.58 115.11 1ooy h GLU 237 Ca -0.33 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 57.54 1ooy h GLU 237 Cb 1.11 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.28 1ooy h GLU 237 CO 0.51 0.00 -0.81 1.63 -1.00 0.00 0.00 179.01 179.35 1ooy n LYS 238 N -2.52 -4.44 -2.07 2.33 5.02 -1.26 -4.87 118.16 110.35 1ooy n LYS 238 Ca 0.05 0.50 -0.41 0.00 -2.02 0.00 0.00 58.31 56.43 1ooy n LYS 238 Cb 0.43 -5.20 -0.02 0.00 -0.02 0.00 0.00 35.03 30.21 1ooy n LYS 238 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1ooy s ARG 239 N -6.64 4.31 -0.22 1.97 0.52 -1.26 -4.78 118.95 112.85 1ooy s ARG 239 Ca 0.52 2.24 -0.05 0.00 -0.52 0.00 0.00 55.73 57.92 1ooy s ARG 239 Cb -0.27 -3.11 -0.02 0.00 0.52 0.00 0.00 34.95 32.07 1ooy s ARG 239 CO 0.87 -0.33 -0.00 0.42 0.02 0.00 0.00 175.30 176.27 1ooy s ILE 240 N -0.32 3.81 0.04 1.52 -1.09 -1.26 -4.87 121.20 119.02 1ooy s ILE 240 Ca 0.56 -0.35 -0.19 0.00 -2.23 0.00 0.00 60.65 58.44 1ooy s ILE 240 Cb -0.40 -2.74 -0.17 0.00 -1.58 0.00 0.00 42.46 37.57 1ooy s ILE 240 CO 0.45 0.41 1.26 -0.08 -1.23 0.00 0.00 174.94 175.75 1ooy h GLU 241 N 7.87 0.45 0.00 2.79 4.81 -1.94 -3.53 114.58 125.04 1ooy h GLU 241 Ca -0.38 -0.32 0.00 0.00 -0.13 0.00 0.00 59.36 58.53 1ooy h GLU 241 Cb 1.17 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.60 1ooy h GLU 241 CO 0.60 0.93 0.00 0.54 -0.73 0.00 0.00 179.01 180.35 1ooy n ARG 242 N -4.37 1.35 0.00 1.92 1.74 -1.26 -5.15 116.66 110.88 1ooy n ARG 242 Ca -0.07 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.01 1ooy n ARG 242 Cb 0.50 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.94 1ooy n ARG 242 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1ooy n ASN 261 N -0.05 0.00 0.35 0.55 2.85 -1.26 -4.75 115.26 112.96 1ooy n ASN 261 Ca 0.00 0.00 -0.18 0.00 -0.11 0.00 0.00 54.58 54.29 1ooy n ASN 261 Cb 0.00 0.00 -0.09 0.00 1.24 0.00 0.00 39.78 40.93 1ooy n ASN 261 CO 0.00 0.00 0.00 0.58 -2.11 0.00 0.00 177.26 175.73 1ooy h VAL 262 N 0.00 0.15 -0.81 3.44 2.07 -2.00 -1.70 116.25 117.41 1ooy h VAL 262 Ca 0.00 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 1ooy h VAL 262 Cb 0.00 0.15 -0.04 0.00 -1.52 0.00 0.00 31.29 29.89 1ooy h VAL 262 CO 0.00 0.00 0.40 0.03 0.02 0.00 0.00 177.57 178.02 1ooy h ARG 263 N -0.99 1.15 -0.81 1.57 3.08 -2.00 -2.60 114.38 113.77 1ooy h ARG 263 Ca -0.08 -0.16 -0.04 0.00 0.07 0.00 0.00 59.98 59.78 1ooy h ARG 263 Cb 0.82 -0.21 -0.04 0.00 0.08 0.00 0.00 29.97 30.62 1ooy h ARG 263 CO 0.05 0.87 0.36 1.49 -1.07 0.00 0.00 179.97 181.68 1ooy h GLU 264 N 1.14 1.19 -0.53 0.04 4.81 -1.97 -0.14 114.58 119.11 1ooy h GLU 264 Ca 0.28 -0.19 -0.02 0.00 -0.13 0.00 0.00 59.36 59.30 1ooy h GLU 264 Cb 0.09 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.25 1ooy h GLU 264 CO -0.04 0.93 0.26 -0.09 -0.73 0.00 0.00 179.01 179.35 1ooy h ARG 265 N 1.17 0.77 -0.32 1.92 2.43 -0.95 0.08 114.38 119.48 1ooy h ARG 265 Ca 0.28 -0.11 -0.02 0.00 -0.81 0.00 0.00 59.98 59.31 1ooy h ARG 265 Cb 0.16 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 1ooy h ARG 265 CO -0.03 0.63 0.11 0.82 -1.51 0.00 0.00 179.97 179.99 1ooy h ILE 266 N 0.71 1.19 -0.46 1.20 2.04 -1.10 -1.50 117.51 119.61 1ooy h ILE 266 Ca 0.18 -0.62 0.04 0.00 1.00 0.00 0.00 64.86 65.47 1ooy h ILE 266 Cb 0.11 1.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.15 1ooy h ILE 266 CO -0.02 0.21 0.22 0.40 0.00 0.00 0.00 178.15 178.96 1ooy h ILE 267 N 0.36 0.95 0.00 -0.67 2.04 -0.73 0.38 117.51 119.85 1ooy h ILE 267 Ca 0.10 -0.15 -0.01 0.00 1.00 0.00 0.00 64.86 65.80 1ooy h ILE 267 Cb 0.22 0.47 -0.00 0.00 -0.74 0.00 0.00 36.82 36.77 1ooy h ILE 267 CO -0.01 0.08 -0.05 0.11 0.00 0.00 0.00 178.15 178.28 1ooy h LYS 268 N 0.44 0.00 0.17 2.37 1.57 -0.74 -0.65 116.57 119.73 1ooy h LYS 268 Ca 0.20 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.63 1ooy h LYS 268 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.43 1ooy h LYS 268 CO -0.15 0.05 -1.77 -0.09 -0.57 0.00 0.00 179.45 176.92 1ooy h ARG 269 N 0.00 0.37 -0.62 3.15 9.65 -0.59 0.28 114.38 126.62 1ooy h ARG 269 Ca -0.00 -0.63 0.08 0.00 -1.10 0.00 0.00 59.98 58.33 1ooy h ARG 269 Cb 0.46 0.23 -0.04 0.00 -1.39 0.00 0.00 29.97 29.24 1ooy h ARG 269 CO 0.01 1.29 0.41 0.00 2.80 0.00 0.00 179.97 184.48 1ooy h ALA 270 N 0.14 1.88 0.00 2.80 0.00 0.19 -0.63 119.26 123.64 1ooy h ALA 270 Ca -0.35 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.54 1ooy h ALA 270 Cb 2.09 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.75 1ooy h ALA 270 CO 0.17 0.01 -0.01 0.00 0.00 0.00 0.00 179.25 179.42 1ooy h ALA 271 N 1.68 1.29 -0.00 0.00 0.00 -1.20 -0.22 119.26 120.80 1ooy h ALA 271 Ca 0.27 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1ooy h ALA 271 Cb 0.38 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1ooy h ALA 271 CO -0.08 0.01 -0.01 1.28 0.00 0.00 0.00 179.25 180.45 1ooy n LEU 272 N -3.51 0.42 0.13 0.00 4.77 -0.24 -3.00 117.00 115.57 1ooy n LEU 272 Ca -0.03 -0.11 0.13 0.00 -0.03 0.00 0.00 56.01 55.97 1ooy n LEU 272 Cb 0.09 -0.03 0.33 0.00 -2.33 0.00 0.00 43.42 41.47 1ooy n LEU 272 CO 0.24 0.07 0.82 -0.33 -1.33 0.00 0.00 177.39 176.87 1ooy h GLU 273 N 0.64 0.00 -6.92 3.23 4.39 -1.13 -3.46 114.58 111.33 1ooy h GLU 273 Ca 0.00 0.00 -0.49 0.00 0.34 0.00 0.00 59.36 59.21 1ooy h GLU 273 Cb 0.17 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 28.84 1ooy h GLU 273 CO 0.00 0.00 0.43 -0.06 -1.16 0.00 0.00 179.01 178.22 1ooy s PHE 274 N -3.14 3.34 0.11 4.33 0.08 -1.16 -5.05 117.98 116.50 1ooy s PHE 274 Ca 0.09 1.65 0.05 0.00 0.12 0.00 0.00 56.93 58.85 1ooy s PHE 274 Cb 0.11 -3.19 -0.04 0.00 -0.57 0.00 0.00 43.02 39.33 1ooy s PHE 274 CO 0.63 -0.65 -0.12 -1.21 -0.10 0.00 0.00 175.22 173.77 1ooy s GLU 275 N -2.20 0.95 0.33 0.44 2.02 -1.26 -5.09 118.70 113.89 1ooy s GLU 275 Ca 0.54 -1.23 -0.29 0.00 0.02 0.00 0.00 54.97 54.01 1ooy s GLU 275 Cb -0.25 -0.70 -0.11 0.00 0.10 0.00 0.00 34.13 33.17 1ooy s GLU 275 CO 0.32 0.12 1.41 0.34 0.02 0.00 0.00 175.26 177.47 1ooy s ASP 276 N -2.54 6.58 0.00 -0.19 2.15 -1.26 -1.90 116.67 119.50 1ooy s ASP 276 Ca 0.08 2.83 0.00 0.00 0.43 0.00 0.00 52.55 55.89 1ooy s ASP 276 Cb -0.03 -2.65 0.00 0.00 -0.30 0.00 0.00 42.92 39.94 1ooy s ASP 276 CO 0.01 -0.70 0.00 0.61 -0.17 0.00 0.00 175.17 174.92 1ooy n GLY 277 N 1.02 0.75 3.78 2.66 0.00 0.45 -4.92 105.19 108.94 1ooy n GLY 277 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 1ooy n GLY 277 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1ooy s MET 278 N -0.20 4.02 -0.22 1.61 -2.45 -0.80 -4.80 119.30 116.46 1ooy s MET 278 Ca 0.00 1.63 -0.09 0.00 -1.25 0.00 0.00 55.69 55.97 1ooy s MET 278 Cb 0.00 -2.51 -0.04 0.00 1.25 0.00 0.00 34.83 33.53 1ooy s MET 278 CO 0.00 -0.29 0.12 0.71 1.05 0.00 0.00 175.02 176.61 1ooy s TYR 279 N -1.60 3.28 0.06 4.11 2.02 -1.26 -0.65 117.35 123.31 1ooy s TYR 279 Ca 0.60 0.12 0.02 0.00 -0.37 0.00 0.00 57.07 57.43 1ooy s TYR 279 Cb -0.25 -2.21 -0.03 0.00 -0.40 0.00 0.00 41.96 39.08 1ooy s TYR 279 CO 0.31 0.06 -0.08 0.00 -1.57 0.00 0.00 175.55 174.27 1ooy s ALA 280 N 0.89 0.74 -0.17 3.71 0.00 0.18 -0.29 121.76 126.82 1ooy s ALA 280 Ca 0.06 -0.97 0.01 0.00 0.00 0.00 0.00 51.96 51.06 1ooy s ALA 280 Cb -0.13 0.07 0.02 0.00 0.00 0.00 0.00 23.12 23.08 1ooy s ALA 280 CO 0.03 -0.08 -0.18 1.21 0.00 0.00 0.00 175.76 176.74 1ooy s ASN 281 N -2.05 3.03 -0.19 0.00 3.84 0.69 -0.31 114.94 119.94 1ooy s ASN 281 Ca -0.03 -0.62 -0.04 0.00 0.21 0.00 0.00 52.86 52.38 1ooy s ASN 281 Cb -0.05 -1.39 -0.02 0.00 -0.55 0.00 0.00 41.25 39.24 1ooy s ASN 281 CO -0.01 -0.02 -0.02 -0.76 -2.79 0.00 0.00 177.10 173.50 1ooy s LEU 282 N 1.35 3.20 0.83 3.21 1.43 -1.26 -1.39 118.68 126.05 1ooy s LEU 282 Ca 0.05 -0.21 -0.11 0.00 -1.03 0.00 0.00 54.13 52.83 1ooy s LEU 282 Cb -0.13 -1.80 0.09 0.00 0.03 0.00 0.00 46.19 44.38 1ooy s LEU 282 CO -0.12 0.08 1.09 -0.83 0.23 0.00 0.00 176.35 176.80 1ooy s GLY 283 N 0.87 1.64 0.43 -3.19 0.00 0.55 -4.63 107.32 102.99 1ooy s GLY 283 Ca 0.00 -0.00 -0.26 0.00 0.00 0.00 0.00 44.72 44.46 1ooy s GLY 283 CO 0.02 0.43 1.35 0.29 0.00 0.00 0.00 173.10 175.18 1ooy n ILE 284 N -3.65 2.63 0.00 0.90 -5.35 -1.26 -1.82 119.36 110.81 1ooy n ILE 284 Ca 0.08 -0.50 0.00 0.00 -0.27 0.00 0.00 62.75 62.06 1ooy n ILE 284 Cb 0.55 -1.70 0.00 0.00 -1.74 0.00 0.00 39.64 36.75 1ooy n ILE 284 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ooy n GLY 285 N 0.70 1.01 0.24 3.28 0.00 -1.26 -4.53 105.19 104.62 1ooy n GLY 285 Ca 0.06 -1.60 -0.01 0.00 0.00 0.00 0.00 46.02 44.47 1ooy n GLY 285 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1ooy h ILE 286 N 0.00 0.85 -0.74 -0.61 2.04 -1.93 -0.65 117.51 116.46 1ooy h ILE 286 Ca 0.00 -0.17 0.01 0.00 1.00 0.00 0.00 64.86 65.70 1ooy h ILE 286 Cb 0.00 0.30 -0.04 0.00 -0.74 0.00 0.00 36.82 36.35 1ooy h ILE 286 CO 0.00 0.09 0.49 -0.65 0.00 0.00 0.00 178.15 178.08 1ooy h PRO 287 N 0.50 0.97 -0.39 2.37 0.11 -1.80 0.80 132.00 134.57 1ooy h PRO 287 Ca 0.30 -0.06 -0.13 0.00 0.11 0.00 0.00 66.00 66.22 1ooy h PRO 287 Cb 0.30 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.18 1ooy h PRO 287 CO -0.25 0.64 -0.29 1.25 -0.21 0.00 0.00 178.00 179.14 1ooy h LEU 288 N 1.00 0.86 -1.31 2.35 5.85 -0.82 -2.30 115.31 120.94 1ooy h LEU 288 Ca 0.27 -0.35 -0.03 0.00 0.84 0.00 0.00 57.88 58.62 1ooy h LEU 288 Cb -0.10 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.66 1ooy h LEU 288 CO -0.06 1.09 0.14 -0.07 -0.34 0.00 0.00 178.44 179.20 1ooy h LEU 289 N 0.71 0.56 -1.99 2.25 3.38 -0.59 -1.46 115.31 118.16 1ooy h LEU 289 Ca 0.08 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1ooy h LEU 289 Cb 0.83 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.44 1ooy h LEU 289 CO 0.07 0.53 -0.05 0.00 0.09 0.00 0.00 178.44 179.09 1ooy h ALA 290 N 1.55 1.82 0.00 1.53 0.00 -0.26 -1.26 119.26 122.65 1ooy h ALA 290 Ca 0.15 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1ooy h ALA 290 Cb 0.17 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1ooy h ALA 290 CO -0.01 0.06 -0.02 0.66 0.00 0.00 0.00 179.25 179.93 1ooy h SER 291 N 0.00 0.00 0.52 0.00 4.64 -1.20 -0.01 113.55 117.51 1ooy h SER 291 Ca -0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ooy h SER 291 Cb 0.09 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.18 1ooy h SER 291 CO 0.01 0.02 -0.02 0.78 -0.87 0.00 0.00 176.83 176.75 1ooy h ASN 292 N 0.00 0.00 -0.31 4.97 2.35 -1.32 -2.40 115.58 118.88 1ooy h ASN 292 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1ooy h ASN 292 Cb 0.22 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.59 1ooy h ASN 292 CO 0.00 0.02 0.00 0.49 -1.65 0.00 0.00 177.43 176.29 1ooy n PHE 293 N -3.16 0.39 -2.01 1.19 3.01 -0.02 -4.94 117.46 111.93 1ooy n PHE 293 Ca -0.01 -0.19 -0.41 0.00 1.01 0.00 0.00 57.45 57.84 1ooy n PHE 293 Cb 0.20 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.65 1ooy n PHE 293 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 1ooy s ILE 294 N -1.61 2.53 0.33 4.37 1.01 -0.91 -4.65 121.20 122.27 1ooy s ILE 294 Ca 0.36 0.51 -0.28 0.00 0.00 0.00 0.00 60.65 61.24 1ooy s ILE 294 Cb 0.21 -3.32 -0.10 0.00 0.01 0.00 0.00 42.46 39.26 1ooy s ILE 294 CO 0.30 0.11 1.22 -0.55 0.00 0.00 0.00 174.94 176.02 1ooy s SER 295 N -0.16 6.89 0.52 3.58 0.15 -1.26 -4.86 113.70 118.55 1ooy s SER 295 Ca 0.53 2.51 0.35 0.00 0.70 0.00 0.00 55.95 60.03 1ooy s SER 295 Cb -0.42 -2.64 1.89 0.00 -1.71 0.00 0.00 66.02 63.14 1ooy s SER 295 CO 0.53 -0.43 2.06 -0.65 1.20 0.00 0.00 173.24 175.94 1ooy h PRO 296 N 3.40 0.00 -0.00 5.44 0.11 -1.99 0.77 132.00 139.73 1ooy h PRO 296 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1ooy h PRO 296 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1ooy h PRO 296 CO 0.65 0.00 -0.23 0.09 -0.21 0.00 0.00 178.00 178.31 1ooy n ASN 297 N -2.72 0.38 -4.56 -2.05 5.03 -1.26 -4.82 115.26 105.27 1ooy n ASN 297 Ca -0.02 -0.17 -0.34 0.00 0.87 0.00 0.00 54.58 54.91 1ooy n ASN 297 Cb 0.06 -0.07 -0.11 0.00 -1.02 0.00 0.00 39.78 38.64 1ooy n ASN 297 CO 0.00 0.00 0.00 -0.32 -1.83 0.00 0.00 177.26 175.11 1ooy s MET 298 N -2.81 3.13 -0.31 3.52 1.75 0.27 -5.04 119.30 119.81 1ooy s MET 298 Ca 0.18 -0.52 -0.11 0.00 -1.25 0.00 0.00 55.69 53.99 1ooy s MET 298 Cb 0.19 -2.74 -0.02 0.00 2.84 0.00 0.00 34.83 35.10 1ooy s MET 298 CO 0.57 0.51 0.18 0.99 -0.65 0.00 0.00 175.02 176.62 1ooy s THR 299 N -0.37 4.90 -0.09 10.11 2.01 -1.26 -4.72 115.64 126.21 1ooy s THR 299 Ca 0.06 -0.24 0.02 0.00 0.31 0.00 0.00 61.69 61.84 1ooy s THR 299 Cb -0.12 -3.46 0.01 0.00 0.01 0.00 0.00 72.50 68.94 1ooy s THR 299 CO 0.02 0.10 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.21 1ooy s VAL 300 N 1.67 1.46 -0.32 3.82 1.01 -1.26 0.17 120.40 126.95 1ooy s VAL 300 Ca 0.06 -0.64 -0.13 0.00 0.00 0.00 0.00 61.98 61.27 1ooy s VAL 300 Cb -0.17 -1.32 -0.03 0.00 0.00 0.00 0.00 36.38 34.87 1ooy s VAL 300 CO 0.08 0.43 0.25 -1.00 0.00 0.00 0.00 175.10 174.86 1ooy s HIS 301 N 0.80 3.22 -0.16 5.22 3.76 0.18 -4.97 115.29 123.35 1ooy s HIS 301 Ca -0.11 -0.03 -0.16 0.00 -0.15 0.00 0.00 55.06 54.61 1ooy s HIS 301 Cb -0.16 -2.48 -0.04 0.00 1.11 0.00 0.00 32.58 31.02 1ooy s HIS 301 CO 0.02 -0.29 0.40 -0.51 -0.85 0.00 0.00 174.74 173.50 1ooy s LEU 302 N 1.80 4.22 -0.07 0.89 1.43 -1.26 -0.65 118.68 125.04 1ooy s LEU 302 Ca 0.08 0.62 -0.05 0.00 -1.03 0.00 0.00 54.13 53.75 1ooy s LEU 302 Cb -0.17 -2.55 -0.04 0.00 0.03 0.00 0.00 46.19 43.47 1ooy s LEU 302 CO 0.11 -0.00 0.13 -1.58 0.23 0.00 0.00 176.35 175.24 1ooy s GLN 303 N 0.85 3.36 -0.08 1.70 -0.44 0.57 -0.34 119.66 125.28 1ooy s GLN 303 Ca 0.21 -0.24 0.05 0.00 -2.50 0.00 0.00 55.36 52.87 1ooy s GLN 303 Cb -0.14 -3.09 -0.00 0.00 -1.64 0.00 0.00 33.01 28.13 1ooy s GLN 303 CO 0.08 0.73 -0.24 0.45 0.50 0.00 0.00 175.29 176.81 1ooy s SER 304 N -1.34 3.02 0.32 6.67 0.15 0.11 -4.37 113.70 118.27 1ooy s SER 304 Ca 0.19 -0.53 0.26 0.00 0.70 0.00 0.00 55.95 56.57 1ooy s SER 304 Cb -0.12 -1.17 1.07 0.00 -1.71 0.00 0.00 66.02 64.09 1ooy s SER 304 CO 0.09 0.19 1.77 1.05 1.20 0.00 0.00 173.24 177.54 1ooy h GLU 305 N 6.48 0.00 0.00 5.44 9.09 -1.96 -0.37 114.58 133.26 1ooy h GLU 305 Ca -0.24 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.17 1ooy h GLU 305 Cb 1.21 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.31 1ooy h GLU 305 CO 0.47 0.00 0.00 0.27 0.05 0.00 0.00 179.01 179.80 1ooy n ASN 306 N -2.43 0.00 0.00 3.06 6.94 -1.26 -4.73 115.26 116.84 1ooy n ASN 306 Ca 0.02 -1.27 0.00 0.00 -0.02 0.00 0.00 54.58 53.31 1ooy n ASN 306 Cb 0.25 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.67 1ooy n ASN 306 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1ooy n GLY 307 N 0.60 1.17 3.03 4.83 0.00 -0.23 -4.14 105.19 110.44 1ooy n GLY 307 Ca 0.12 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.98 1ooy n GLY 307 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ooy s ILE 308 N -2.00 0.59 -0.13 -0.61 1.01 -0.70 -1.21 121.20 118.15 1ooy s ILE 308 Ca 0.00 -0.61 -0.00 0.00 0.00 0.00 0.00 60.65 60.03 1ooy s ILE 308 Cb 0.00 -0.56 0.03 0.00 0.01 0.00 0.00 42.46 41.94 1ooy s ILE 308 CO 0.00 -0.04 -0.09 -0.22 0.00 0.00 0.00 174.94 174.59 1ooy s LEU 309 N -0.72 1.33 0.00 2.97 2.96 -0.13 0.08 118.68 125.17 1ooy s LEU 309 Ca -0.01 -0.37 0.00 0.00 -0.22 0.00 0.00 54.13 53.53 1ooy s LEU 309 Cb -0.05 -0.93 0.00 0.00 0.50 0.00 0.00 46.19 45.71 1ooy s LEU 309 CO 0.00 -0.11 0.00 0.61 -1.32 0.00 0.00 176.35 175.53 1ooy n GLY 310 N 4.90 1.44 3.65 7.98 0.00 0.54 -0.87 105.19 122.84 1ooy n GLY 310 Ca -0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.46 1ooy n GLY 310 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ooy n LEU 311 N 0.00 2.91 0.00 0.99 4.77 -0.64 -0.29 117.00 124.74 1ooy n LEU 311 Ca 0.00 1.18 -0.04 0.00 -0.03 0.00 0.00 56.01 57.12 1ooy n LEU 311 Cb 0.00 -1.41 -0.01 0.00 -2.33 0.00 0.00 43.42 39.67 1ooy n LEU 311 CO 0.00 -0.88 -0.02 0.61 -1.33 0.00 0.00 177.39 175.77 1ooy n GLY 312 N 0.95 3.85 3.62 -0.72 0.00 0.11 -4.53 105.19 108.47 1ooy n GLY 312 Ca 0.07 -2.22 -0.29 0.00 0.00 0.00 0.00 46.02 43.58 1ooy n GLY 312 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ooy s PRO 313 N -2.26 0.01 0.65 1.61 0.04 -1.26 -4.17 135.00 129.62 1ooy s PRO 313 Ca 0.01 0.61 -0.18 0.00 0.04 0.00 0.00 61.00 61.49 1ooy s PRO 313 Cb -0.00 -1.68 -0.00 0.00 0.04 0.00 0.00 34.50 32.85 1ooy s PRO 313 CO 0.01 -3.04 1.26 0.71 0.04 0.00 0.00 177.00 175.97 1ooy s TYR 314 N -2.81 2.13 0.55 0.56 2.02 -1.26 -2.19 117.35 116.35 1ooy s TYR 314 Ca 0.66 1.52 -0.15 0.00 -0.37 0.00 0.00 57.07 58.73 1ooy s TYR 314 Cb -0.20 -3.60 -0.06 0.00 -0.40 0.00 0.00 41.96 37.69 1ooy s TYR 314 CO 0.60 -2.71 1.01 -1.25 -1.57 0.00 0.00 175.55 171.63 1ooy s PRO 315 N -3.49 3.75 0.80 -1.71 0.04 -1.26 -4.82 135.00 128.31 1ooy s PRO 315 Ca 0.80 0.97 -0.11 0.00 0.04 0.00 0.00 61.00 62.70 1ooy s PRO 315 Cb -0.34 -2.10 0.07 0.00 0.04 0.00 0.00 34.50 32.17 1ooy s PRO 315 CO 0.39 -0.44 1.10 -0.51 0.04 0.00 0.00 177.00 177.58 1ooy s LEU 316 N -4.37 2.93 0.30 -3.56 1.43 -1.26 -4.83 118.68 109.32 1ooy s LEU 316 Ca 0.59 1.81 0.03 0.00 -1.03 0.00 0.00 54.13 55.53 1ooy s LEU 316 Cb -0.11 -4.46 0.61 0.00 0.03 0.00 0.00 46.19 42.26 1ooy s LEU 316 CO 0.37 -2.19 1.86 -0.61 0.23 0.00 0.00 176.35 176.01 1ooy h GLN 317 N -1.23 0.91 0.00 1.70 5.75 -1.99 0.16 115.11 120.41 1ooy h GLN 317 Ca -0.44 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.00 1ooy h GLN 317 Cb 1.24 -0.21 0.00 0.00 1.07 0.00 0.00 27.48 29.58 1ooy h GLN 317 CO 0.51 0.60 0.00 0.27 -2.65 0.00 0.00 178.83 177.56 1ooy n ASN 318 N -4.57 0.00 -0.38 -0.69 2.04 -1.26 -2.40 115.26 108.00 1ooy n ASN 318 Ca 0.17 -1.03 0.05 0.00 -0.44 0.00 0.00 54.58 53.33 1ooy n ASN 318 Cb 0.34 0.00 0.05 0.00 -2.53 0.00 0.00 39.78 37.64 1ooy n ASN 318 CO 0.00 0.00 0.00 -1.84 -0.44 0.00 0.00 177.26 174.98 1ooy n GLU 319 N -0.90 0.63 -1.69 -3.83 0.28 0.03 -5.01 120.64 110.15 1ooy n GLU 319 Ca 0.16 -1.17 -0.43 0.00 -0.16 0.00 0.00 57.16 55.57 1ooy n GLU 319 Cb 0.08 -1.18 -0.01 0.00 1.43 0.00 0.00 31.44 31.75 1ooy n GLU 319 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 1ooy n VAL 320 N 0.48 1.71 -3.72 3.84 0.31 -1.01 -4.88 118.33 115.07 1ooy n VAL 320 Ca 0.06 -0.43 -0.22 0.00 -0.01 0.00 0.00 64.34 63.74 1ooy n VAL 320 Cb 0.25 -1.54 -0.18 0.00 -0.91 0.00 0.00 33.84 31.47 1ooy n VAL 320 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1ooy s ASP 321 N -0.15 1.48 0.61 4.52 -1.08 -1.26 -5.02 116.67 115.77 1ooy s ASP 321 Ca 0.59 -0.07 0.37 0.00 -0.52 0.00 0.00 52.55 52.92 1ooy s ASP 321 Cb -0.59 -0.30 2.03 0.00 -1.46 0.00 0.00 42.92 42.60 1ooy s ASP 321 CO 0.59 -0.23 2.14 0.00 0.52 0.00 0.00 175.17 178.18 1ooy h ALA 322 N 8.38 1.08 -0.01 3.66 0.00 -1.89 -0.11 119.26 130.37 1ooy h ALA 322 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1ooy h ALA 322 Cb 1.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1ooy h ALA 322 CO 0.21 -0.08 -0.07 -0.25 0.00 0.00 0.00 179.25 179.06 1ooy n ASP 323 N -2.88 1.24 -3.74 0.00 8.00 -1.26 -4.61 116.55 113.30 1ooy n ASP 323 Ca -0.02 -1.26 -0.30 0.00 0.71 0.00 0.00 54.79 53.91 1ooy n ASP 323 Cb 0.14 0.03 -0.15 0.00 -0.02 0.00 0.00 41.12 41.13 1ooy n ASP 323 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1ooy s LEU 324 N -2.15 2.46 0.13 0.64 2.96 -0.05 -0.84 118.68 121.82 1ooy s LEU 324 Ca 0.35 -1.88 0.05 0.00 -0.22 0.00 0.00 54.13 52.42 1ooy s LEU 324 Cb 0.21 -0.94 -0.04 0.00 0.50 0.00 0.00 46.19 45.92 1ooy s LEU 324 CO 0.39 -0.38 -0.11 0.27 -1.32 0.00 0.00 176.35 175.20 1ooy s ILE 325 N 1.31 1.14 0.60 6.68 -4.36 -1.26 -1.68 121.20 123.63 1ooy s ILE 325 Ca 0.12 -1.90 -0.04 0.00 -0.26 0.00 0.00 60.65 58.57 1ooy s ILE 325 Cb -0.19 -1.67 0.13 0.00 1.25 0.00 0.00 42.46 41.97 1ooy s ILE 325 CO -0.18 -0.65 0.82 -0.46 0.24 0.00 0.00 174.94 174.71 1ooy n ASN 326 N 0.11 0.72 0.27 4.36 0.23 0.33 -4.83 115.26 116.45 1ooy n ASN 326 Ca -0.13 -1.70 0.18 0.00 -0.53 0.00 0.00 54.58 52.41 1ooy n ASN 326 Cb 0.59 -0.56 0.86 0.00 -2.08 0.00 0.00 39.78 38.59 1ooy n ASN 326 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1ooy h ALA 327 N -0.96 1.00 -0.40 -2.53 0.00 -1.94 0.05 119.26 114.49 1ooy h ALA 327 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1ooy h ALA 327 Cb 0.90 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1ooy h ALA 327 CO 0.25 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.91 1ooy n GLY 328 N -0.54 1.14 2.37 0.00 0.00 -1.26 -4.90 105.19 101.99 1ooy n GLY 328 Ca -0.01 -0.45 -0.15 0.00 0.00 0.00 0.00 46.02 45.40 1ooy n GLY 328 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ooy n LYS 329 N 0.65 -1.14 -3.24 1.61 5.02 0.00 -5.00 118.16 116.07 1ooy n LYS 329 Ca 0.14 0.90 -0.39 0.00 -2.02 0.00 0.00 58.31 56.94 1ooy n LYS 329 Cb 0.41 -5.14 -0.06 0.00 -0.02 0.00 0.00 35.03 30.23 1ooy n LYS 329 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1ooy s GLU 330 N -3.99 4.26 0.37 1.97 2.02 -1.26 -4.19 118.70 117.89 1ooy s GLU 330 Ca 0.00 0.74 -0.28 0.00 0.02 0.00 0.00 54.97 55.45 1ooy s GLU 330 Cb 0.00 -3.29 -0.11 0.00 0.10 0.00 0.00 34.13 30.84 1ooy s GLU 330 CO 0.00 0.51 1.44 0.95 0.02 0.00 0.00 175.26 178.18 1ooy s THR 331 N -0.68 2.22 0.20 3.63 -4.23 -1.26 -0.52 115.64 115.01 1ooy s THR 331 Ca 0.30 0.22 0.04 0.00 -1.18 0.00 0.00 61.69 61.07 1ooy s THR 331 Cb -0.19 -3.14 -0.02 0.00 1.34 0.00 0.00 72.50 70.50 1ooy s THR 331 CO 0.18 0.05 0.19 0.55 -0.54 0.00 0.00 174.62 175.05 1ooy n VAL 332 N 0.50 0.00 -4.48 2.29 3.14 -0.68 -4.35 118.33 114.76 1ooy n VAL 332 Ca 0.01 -1.45 -0.23 0.00 -2.96 0.00 0.00 64.34 59.71 1ooy n VAL 332 Cb 0.40 0.74 -0.10 0.00 -1.06 0.00 0.00 33.84 33.82 1ooy n VAL 332 CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 1ooy s THR 333 N -2.81 1.07 0.25 1.55 -4.23 -0.93 -4.54 115.64 106.00 1ooy s THR 333 Ca 0.24 -2.00 0.10 0.00 -1.18 0.00 0.00 61.69 58.84 1ooy s THR 333 Cb 0.01 -2.68 -0.05 0.00 1.34 0.00 0.00 72.50 71.12 1ooy s THR 333 CO 0.17 0.00 -0.16 0.68 -0.54 0.00 0.00 174.62 174.77 1ooy s VAL 334 N -3.26 2.09 0.55 2.29 -7.23 -1.26 0.03 120.40 113.61 1ooy s VAL 334 Ca 0.33 -2.29 0.02 0.00 -1.81 0.00 0.00 61.98 58.22 1ooy s VAL 334 Cb 0.07 -2.22 0.03 0.00 0.56 0.00 0.00 36.38 34.82 1ooy s VAL 334 CO 0.15 -0.46 0.77 -0.76 -0.31 0.00 0.00 175.10 174.49 1ooy s LEU 335 N -3.43 3.28 0.40 1.32 1.43 0.61 -4.64 118.68 117.64 1ooy s LEU 335 Ca 0.27 -0.04 -0.27 0.00 -1.03 0.00 0.00 54.13 53.07 1ooy s LEU 335 Cb -0.02 -2.84 -0.10 0.00 0.03 0.00 0.00 46.19 43.26 1ooy s LEU 335 CO 0.11 -1.15 1.38 -2.65 0.23 0.00 0.00 176.35 174.28 1ooy n PRO 336 N -2.33 2.26 -0.97 1.29 -0.02 -1.26 -2.08 135.00 131.87 1ooy n PRO 336 Ca 0.08 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.36 1ooy n PRO 336 Cb 0.60 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 1ooy n PRO 336 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ooy n GLY 337 N 0.64 0.55 3.73 -1.23 0.00 -1.26 -5.02 105.19 102.59 1ooy n GLY 337 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 1ooy n GLY 337 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ooy s ALA 338 N -2.13 1.76 0.06 4.61 0.00 -0.89 -4.94 121.76 120.23 1ooy s ALA 338 Ca 0.00 0.10 0.01 0.00 0.00 0.00 0.00 51.96 52.06 1ooy s ALA 338 Cb 0.00 -3.24 -0.04 0.00 0.00 0.00 0.00 23.12 19.85 1ooy s ALA 338 CO 0.00 -2.19 -0.05 -1.54 0.00 0.00 0.00 175.76 171.98 1ooy s SER 339 N -3.35 0.76 0.12 0.00 1.04 -0.04 -4.98 113.70 107.24 1ooy s SER 339 Ca 0.63 -0.88 0.10 0.00 0.48 0.00 0.00 55.95 56.27 1ooy s SER 339 Cb -0.18 0.13 -0.04 0.00 0.10 0.00 0.00 66.02 66.03 1ooy s SER 339 CO 0.57 -0.46 -0.22 -0.31 0.98 0.00 0.00 173.24 173.80 1ooy s TYR 340 N -3.17 2.44 0.23 5.02 2.02 -1.26 -0.95 117.35 121.68 1ooy s TYR 340 Ca 0.04 -0.31 -0.18 0.00 -0.37 0.00 0.00 57.07 56.24 1ooy s TYR 340 Cb 0.02 -1.31 0.02 0.00 -0.40 0.00 0.00 41.96 40.29 1ooy s TYR 340 CO -0.06 0.36 0.58 -0.59 -1.57 0.00 0.00 175.55 174.27 1ooy s PHE 341 N -1.09 -0.11 0.88 2.71 -0.12 -0.35 -4.99 117.98 114.91 1ooy s PHE 341 Ca 0.16 -0.26 -0.12 0.00 -0.05 0.00 0.00 56.93 56.66 1ooy s PHE 341 Cb -0.10 0.48 0.12 0.00 -0.63 0.00 0.00 43.02 42.89 1ooy s PHE 341 CO 0.08 -1.02 1.15 -1.54 -0.05 0.00 0.00 175.22 173.84 1ooy s SER 342 N -2.90 3.78 0.25 1.98 1.04 -1.26 -4.29 113.70 112.30 1ooy s SER 342 Ca 0.11 0.89 -0.02 0.00 0.48 0.00 0.00 55.95 57.41 1ooy s SER 342 Cb -0.02 -1.43 0.31 0.00 0.10 0.00 0.00 66.02 64.97 1ooy s SER 342 CO 0.01 -2.37 1.72 0.28 0.98 0.00 0.00 173.24 173.85 1ooy h SER 343 N -1.38 0.71 0.08 7.02 0.02 -1.07 0.25 113.55 119.19 1ooy h SER 343 Ca -0.49 -0.21 -0.12 0.00 -0.84 0.00 0.00 61.79 60.13 1ooy h SER 343 Cb 1.33 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.67 1ooy h SER 343 CO 0.63 0.85 -0.42 -2.24 -1.14 0.00 0.00 176.83 174.51 1ooy h ASP 344 N 0.66 0.45 -0.26 3.07 2.03 -1.83 -1.02 116.42 119.52 1ooy h ASP 344 Ca 0.11 -0.20 -0.18 0.00 -0.73 0.00 0.00 57.03 56.03 1ooy h ASP 344 Cb 0.57 -0.13 -0.00 0.00 -0.83 0.00 0.00 39.33 38.94 1ooy h ASP 344 CO 0.04 0.81 -0.54 -0.08 -1.03 0.00 0.00 179.24 178.44 1ooy h GLU 345 N 0.35 0.85 -0.64 4.15 4.57 -1.78 -0.53 114.58 121.54 1ooy h GLU 345 Ca 0.03 -0.54 0.03 0.00 -1.18 0.00 0.00 59.36 57.70 1ooy h GLU 345 Cb 0.88 0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 29.49 1ooy h GLU 345 CO 0.07 1.17 0.40 1.03 -1.18 0.00 0.00 179.01 180.51 1ooy h SER 346 N 0.66 0.66 1.63 1.04 0.87 -0.21 0.12 113.55 118.32 1ooy h SER 346 Ca 0.02 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1ooy h SER 346 Cb 1.14 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.96 1ooy h SER 346 CO 0.12 0.46 -0.03 -0.26 -0.53 0.00 0.00 176.83 176.59 1ooy h PHE 347 N 0.80 0.00 -0.28 2.24 0.04 -1.08 -0.35 116.94 118.30 1ooy h PHE 347 Ca 0.26 0.00 -0.17 0.00 2.80 0.00 0.00 57.97 60.85 1ooy h PHE 347 Cb 0.00 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.15 1ooy h PHE 347 CO -0.05 0.00 -0.51 0.00 -0.60 0.00 0.00 178.31 177.16 1ooy h ALA 348 N 2.34 0.56 -0.60 2.45 0.00 -0.26 0.45 119.26 124.20 1ooy h ALA 348 Ca 0.00 -0.50 -0.02 0.00 0.00 0.00 0.00 54.91 54.39 1ooy h ALA 348 Cb 0.83 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 1ooy h ALA 348 CO 0.00 0.68 0.31 1.98 0.00 0.00 0.00 179.25 182.22 1ooy h MET 349 N 0.62 0.86 -0.00 0.00 1.85 -0.37 0.91 114.93 118.80 1ooy h MET 349 Ca 0.02 -0.12 -0.02 0.00 -0.61 0.00 0.00 59.70 58.97 1ooy h MET 349 Cb 1.09 -0.16 0.00 0.00 0.43 0.00 0.00 31.60 32.97 1ooy h MET 349 CO 0.11 0.68 -0.09 0.82 -0.40 0.00 0.00 176.91 178.02 1ooy h ILE 350 N 0.82 1.59 0.00 1.77 2.04 -0.95 -1.80 117.51 120.98 1ooy h ILE 350 Ca 0.21 -1.85 -0.05 0.00 1.00 0.00 0.00 64.86 64.17 1ooy h ILE 350 Cb 0.09 2.81 -0.01 0.00 -0.74 0.00 0.00 36.82 38.97 1ooy h ILE 350 CO -0.03 0.49 -0.22 0.03 0.00 0.00 0.00 178.15 178.42 1ooy h ARG 351 N -0.66 0.00 0.00 2.37 3.08 -0.06 -1.75 114.38 117.35 1ooy h ARG 351 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1ooy h ARG 351 Cb 0.85 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.90 1ooy h ARG 351 CO 0.02 0.22 0.00 0.41 -1.07 0.00 0.00 179.97 179.55 1ooy n GLY 352 N -0.85 -0.79 2.09 0.04 0.00 0.31 -4.61 105.19 101.37 1ooy n GLY 352 Ca -0.02 -0.14 -0.02 0.00 0.00 0.00 0.00 46.02 45.84 1ooy n GLY 352 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ooy n GLY 353 N 0.56 0.53 0.21 -0.02 0.00 -0.66 -4.93 105.19 100.88 1ooy n GLY 353 Ca 0.17 -0.67 0.10 0.00 0.00 0.00 0.00 46.02 45.61 1ooy n GLY 353 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1ooy h HIS 354 N 0.00 0.00 -3.51 1.61 3.86 -1.51 -3.41 115.15 112.19 1ooy h HIS 354 Ca -0.03 0.00 -0.52 0.00 -1.16 0.00 0.00 60.37 58.65 1ooy h HIS 354 Cb 0.15 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.60 1ooy h HIS 354 CO 0.07 0.22 0.37 0.08 0.86 0.00 0.00 177.93 179.53 1ooy s VAL 355 N -3.42 4.56 0.10 2.45 1.01 -1.26 -4.87 120.40 118.98 1ooy s VAL 355 Ca 0.03 2.03 -0.03 0.00 0.00 0.00 0.00 61.98 64.01 1ooy s VAL 355 Cb 0.08 -4.30 -0.24 0.00 0.00 0.00 0.00 36.38 31.92 1ooy s VAL 355 CO 0.65 0.27 1.21 0.78 0.00 0.00 0.00 175.10 178.01 1ooy h ASN 356 N 5.93 0.41 -3.59 3.32 -0.26 -0.90 -3.40 115.58 117.09 1ooy h ASN 356 Ca -0.42 -0.40 -0.34 0.00 -0.56 0.00 0.00 56.30 54.57 1ooy h ASN 356 Cb 1.21 -0.13 -0.32 0.00 -1.06 0.00 0.00 38.32 38.02 1ooy h ASN 356 CO 0.73 1.27 -0.75 -0.22 -1.06 0.00 0.00 177.43 177.40 1ooy s LEU 357 N -7.30 1.44 -0.16 1.61 2.96 -0.75 -0.72 118.68 115.76 1ooy s LEU 357 Ca -0.04 -0.05 0.01 0.00 -0.22 0.00 0.00 54.13 53.83 1ooy s LEU 357 Cb 0.08 -0.25 0.01 0.00 0.50 0.00 0.00 46.19 46.53 1ooy s LEU 357 CO 0.87 -0.05 -0.19 -0.89 -1.32 0.00 0.00 176.35 174.77 1ooy s THR 358 N 0.68 2.20 -0.11 3.68 2.01 0.11 -0.22 115.64 123.99 1ooy s THR 358 Ca -0.07 -0.91 0.02 0.00 0.31 0.00 0.00 61.69 61.04 1ooy s THR 358 Cb -0.10 -1.91 0.01 0.00 0.01 0.00 0.00 72.50 70.51 1ooy s THR 358 CO -0.01 0.53 -0.16 -0.32 -0.69 0.00 0.00 174.62 173.98 1ooy s MET 359 N 1.07 2.28 0.23 4.92 1.75 -0.48 -0.89 119.30 128.17 1ooy s MET 359 Ca -0.01 -0.58 -0.11 0.00 -1.25 0.00 0.00 55.69 53.74 1ooy s MET 359 Cb -0.14 -1.93 -0.01 0.00 2.84 0.00 0.00 34.83 35.59 1ooy s MET 359 CO -0.07 -0.06 0.40 -0.48 -0.65 0.00 0.00 175.02 174.16 1ooy s LEU 360 N 0.97 0.52 0.75 4.11 0.05 -0.38 -0.33 118.68 124.37 1ooy s LEU 360 Ca -0.07 -0.97 -0.07 0.00 0.05 0.00 0.00 54.13 53.08 1ooy s LEU 360 Cb -0.15 1.50 0.10 0.00 -2.05 0.00 0.00 46.19 45.59 1ooy s LEU 360 CO -0.02 -1.06 1.06 -0.83 -0.55 0.00 0.00 176.35 174.95 1ooy s GLY 361 N -3.02 1.73 0.06 -3.48 0.00 -1.26 -0.90 107.32 100.45 1ooy s GLY 361 Ca 0.23 -1.16 -0.20 0.00 0.00 0.00 0.00 44.72 43.59 1ooy s GLY 361 CO 0.08 -0.66 0.48 0.00 0.00 0.00 0.00 173.10 172.99 1ooy s ALA 362 N -3.32 -1.21 -0.10 3.20 0.00 -1.26 -4.81 121.76 114.27 1ooy s ALA 362 Ca 0.64 0.43 -0.04 0.00 0.00 0.00 0.00 51.96 52.98 1ooy s ALA 362 Cb -0.08 0.44 -0.26 0.00 0.00 0.00 0.00 23.12 23.22 1ooy s ALA 362 CO 0.46 -0.53 0.44 0.52 0.00 0.00 0.00 175.76 176.66 1ooy h MET 363 N 2.74 0.24 -3.11 0.00 2.86 -1.17 -3.46 114.93 113.03 1ooy h MET 363 Ca -0.32 -0.41 -0.09 0.00 -2.06 0.00 0.00 59.70 56.82 1ooy h MET 363 Cb 1.22 0.15 -0.17 0.00 0.06 0.00 0.00 31.60 32.86 1ooy h MET 363 CO 0.42 1.13 -0.18 -0.65 1.06 0.00 0.00 176.91 178.69 1ooy s GLN 364 N -2.57 0.84 -0.01 1.72 -0.21 -0.85 -4.74 119.66 113.86 1ooy s GLN 364 Ca -0.19 -0.38 0.01 0.00 0.02 0.00 0.00 55.36 54.82 1ooy s GLN 364 Cb 0.07 0.37 0.01 0.00 1.00 0.00 0.00 33.01 34.46 1ooy s GLN 364 CO 0.79 -0.28 -0.02 0.08 -2.12 0.00 0.00 175.29 173.74 1ooy s VAL 365 N -2.31 0.23 0.57 1.09 1.01 -0.22 -0.99 120.40 119.79 1ooy s VAL 365 Ca -0.06 -0.07 0.00 0.00 0.00 0.00 0.00 61.98 61.85 1ooy s VAL 365 Cb -0.01 -0.24 0.04 0.00 0.00 0.00 0.00 36.38 36.17 1ooy s VAL 365 CO -0.01 0.09 0.80 -0.94 0.00 0.00 0.00 175.10 175.04 1ooy s SER 366 N 0.26 5.22 0.31 3.32 1.04 0.22 -1.81 113.70 122.26 1ooy s SER 366 Ca -0.02 0.06 0.06 0.00 0.48 0.00 0.00 55.95 56.52 1ooy s SER 366 Cb -0.05 -0.92 0.73 0.00 0.10 0.00 0.00 66.02 65.89 1ooy s SER 366 CO -0.01 -1.20 1.80 0.50 0.98 0.00 0.00 173.24 175.32 1ooy h LYS 367 N -0.01 0.76 -0.65 4.02 3.64 -0.61 0.17 116.57 123.88 1ooy h LYS 367 Ca -0.42 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 1ooy h LYS 367 Cb 1.30 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 1ooy h LYS 367 CO 0.53 0.50 0.00 0.66 -2.27 0.00 0.00 179.45 178.88 1ooy n TYR 368 N -4.71 0.87 0.00 1.91 4.01 -1.26 -3.52 117.16 114.46 1ooy n TYR 368 Ca 0.22 -0.44 0.00 0.00 -0.16 0.00 0.00 57.90 57.52 1ooy n TYR 368 Cb 0.54 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.56 1ooy n TYR 368 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ooy n GLY 369 N 1.61 1.06 3.75 2.72 0.00 0.05 -3.92 105.19 110.46 1ooy n GLY 369 Ca 0.23 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.90 1ooy n GLY 369 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ooy s ASP 370 N -2.00 5.13 -0.03 1.61 1.01 -1.26 -0.69 116.67 120.44 1ooy s ASP 370 Ca 0.00 2.34 0.04 0.00 0.71 0.00 0.00 52.55 55.64 1ooy s ASP 370 Cb 0.00 -2.59 -0.01 0.00 1.01 0.00 0.00 42.92 41.33 1ooy s ASP 370 CO 0.00 -1.63 -0.16 -0.22 0.21 0.00 0.00 175.17 173.37 1ooy s LEU 371 N -4.21 1.93 -0.20 1.23 2.96 -0.36 -0.61 118.68 119.43 1ooy s LEU 371 Ca 0.76 -0.32 0.01 0.00 -0.22 0.00 0.00 54.13 54.36 1ooy s LEU 371 Cb -0.29 -0.89 0.04 0.00 0.50 0.00 0.00 46.19 45.55 1ooy s LEU 371 CO 0.34 0.16 -0.11 0.00 -1.32 0.00 0.00 176.35 175.42 1ooy s ALA 372 N -0.07 2.03 0.00 5.97 0.00 -0.16 0.80 121.76 130.33 1ooy s ALA 372 Ca -0.01 -1.21 0.00 0.00 0.00 0.00 0.00 51.96 50.75 1ooy s ALA 372 Cb -0.10 -1.27 0.00 0.00 0.00 0.00 0.00 23.12 21.75 1ooy s ALA 372 CO 0.01 -0.78 0.71 0.27 0.00 0.00 0.00 175.76 175.97 1ooy n ASN 373 N 4.68 -0.00 0.00 0.00 6.94 -1.26 -0.59 115.26 125.02 1ooy n ASN 373 Ca -0.15 -1.42 0.00 0.00 -0.02 0.00 0.00 54.58 52.99 1ooy n ASN 373 Cb 0.47 -0.08 0.00 0.00 -2.36 0.00 0.00 39.78 37.80 1ooy n ASN 373 CO 0.00 0.00 0.00 -2.67 -1.03 0.00 0.00 177.26 173.56 1ooy n TRP 374 N 0.00 0.00 -3.95 -2.53 4.27 -1.26 -4.81 117.44 109.15 1ooy n TRP 374 Ca -0.00 0.00 -0.29 0.00 -3.89 0.00 0.00 57.50 53.32 1ooy n TRP 374 Cb 0.58 0.00 -0.17 0.00 -1.36 0.00 0.00 31.31 30.37 1ooy n TRP 374 CO 0.00 0.00 0.00 1.41 -2.29 0.00 0.00 177.69 176.81 1ooy s MET 375 N -1.21 1.84 -0.16 -2.67 0.00 -1.26 -4.60 119.30 111.23 1ooy s MET 375 Ca 0.00 -0.46 -0.16 0.00 0.00 0.00 0.00 55.69 55.07 1ooy s MET 375 Cb 0.00 -1.92 -0.04 0.00 0.00 0.00 0.00 34.83 32.86 1ooy s MET 375 CO 0.00 -0.30 0.39 -1.50 0.00 0.00 0.00 175.02 173.61 1ooy s ILE 376 N 1.59 5.23 0.79 10.11 2.07 -1.26 -4.48 121.20 135.25 1ooy s ILE 376 Ca 0.04 0.73 -0.14 0.00 -1.41 0.00 0.00 60.65 59.87 1ooy s ILE 376 Cb -0.13 -3.73 0.05 0.00 0.13 0.00 0.00 42.46 38.78 1ooy s ILE 376 CO -0.09 0.32 1.02 -2.65 -1.91 0.00 0.00 174.94 171.63 1ooy n PRO 377 N 3.96 0.25 0.00 3.50 -0.02 -1.26 -4.90 135.00 136.52 1ooy n PRO 377 Ca -0.09 0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.54 1ooy n PRO 377 Cb 0.51 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 1ooy n PRO 377 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ooy n GLY 378 N 0.86 3.67 0.23 -1.23 0.00 -1.26 -4.94 105.19 102.51 1ooy n GLY 378 Ca 0.13 -1.26 0.08 0.00 0.00 0.00 0.00 46.02 44.96 1ooy n GLY 378 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1ooy h LYS 379 N 0.00 0.00 -6.89 1.61 3.64 -2.04 -3.43 116.57 109.46 1ooy h LYS 379 Ca 0.00 0.00 -0.49 0.00 -1.27 0.00 0.00 60.65 58.89 1ooy h LYS 379 Cb 0.00 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 31.83 1ooy h LYS 379 CO 0.00 0.23 0.43 -1.17 -2.27 0.00 0.00 179.45 176.66 1ooy s LEU 380 N -7.79 4.34 0.08 5.20 1.98 -1.26 -4.97 118.68 116.25 1ooy s LEU 380 Ca -0.03 2.10 0.09 0.00 -2.89 0.00 0.00 54.13 53.40 1ooy s LEU 380 Cb 0.14 -3.93 -0.03 0.00 0.66 0.00 0.00 46.19 43.02 1ooy s LEU 380 CO 0.66 -0.29 -0.24 0.68 -1.89 0.00 0.00 176.35 175.27 1ooy s VAL 381 N -1.44 1.95 0.00 1.68 -7.23 -1.26 -4.90 120.40 109.20 1ooy s VAL 381 Ca 0.51 -1.46 0.00 0.00 -1.81 0.00 0.00 61.98 59.22 1ooy s VAL 381 Cb -0.26 -1.71 0.00 0.00 0.56 0.00 0.00 36.38 34.97 1ooy s VAL 381 CO 0.32 0.17 0.00 0.29 -0.31 0.00 0.00 175.10 175.57 1ooy n LYS 382 N 1.44 3.12 0.00 4.82 5.02 -1.26 -4.82 118.16 126.48 1ooy n LYS 382 Ca -0.18 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.11 1ooy n LYS 382 Cb 0.53 -0.97 0.00 0.00 -0.02 0.00 0.00 35.03 34.57 1ooy n LYS 382 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ooy n GLY 383 N 2.75 2.24 0.01 0.72 0.00 -1.26 0.60 105.19 110.24 1ooy n GLY 383 Ca 0.00 -1.92 0.12 0.00 0.00 0.00 0.00 46.02 44.22 1ooy n GLY 383 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1ooy n MET 384 N 1.70 0.04 0.00 1.61 0.00 -0.96 -4.81 117.12 114.70 1ooy n MET 384 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 57.70 57.71 1ooy n MET 384 Cb 0.00 -1.52 0.00 0.00 0.00 0.00 0.00 33.22 31.70 1ooy n MET 384 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1ooy n GLY 385 N 1.48 2.91 1.19 3.17 0.00 0.49 -1.35 105.19 113.08 1ooy n GLY 385 Ca 0.05 -0.22 0.09 0.00 0.00 0.00 0.00 46.02 45.95 1ooy n GLY 385 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ooy n GLY 386 N 0.00 1.96 0.29 -0.02 0.00 -1.26 -1.11 105.19 105.05 1ooy n GLY 386 Ca 0.00 -0.67 -0.07 0.00 0.00 0.00 0.00 46.02 45.28 1ooy n GLY 386 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ooy h ALA 387 N 4.07 0.86 -0.25 4.61 0.00 -1.63 0.33 119.26 127.24 1ooy h ALA 387 Ca 0.00 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 1ooy h ALA 387 Cb 0.92 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1ooy h ALA 387 CO 0.05 0.46 -0.15 0.52 0.00 0.00 0.00 179.25 180.12 1ooy h MET 388 N 0.93 0.43 -0.22 0.00 2.86 -1.79 -2.68 114.93 114.46 1ooy h MET 388 Ca 0.22 -0.13 -0.20 0.00 -2.06 0.00 0.00 59.70 57.53 1ooy h MET 388 Cb 0.17 -0.04 0.01 0.00 0.06 0.00 0.00 31.60 31.79 1ooy h MET 388 CO -0.02 0.58 -0.65 -0.44 1.06 0.00 0.00 176.91 177.44 1ooy h ASP 389 N 0.40 0.96 0.17 1.22 3.32 -1.70 -3.03 116.42 117.76 1ooy h ASP 389 Ca 0.07 -0.58 -0.01 0.00 0.02 0.00 0.00 57.03 56.53 1ooy h ASP 389 Cb 0.51 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.78 1ooy h ASP 389 CO 0.03 1.37 -0.05 -0.07 -1.72 0.00 0.00 179.24 178.80 1ooy h LEU 390 N 0.60 0.00 -2.84 1.55 3.38 -0.62 -0.77 115.31 116.61 1ooy h LEU 390 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1ooy h LEU 390 Cb 1.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.02 1ooy h LEU 390 CO 0.14 0.05 0.00 1.33 0.09 0.00 0.00 178.44 180.05 1ooy n VAL 391 N -3.70 1.00 0.35 1.22 0.24 -1.09 -4.59 118.33 111.76 1ooy n VAL 391 Ca -0.02 -1.00 0.13 0.00 -2.04 0.00 0.00 64.34 61.41 1ooy n VAL 391 Cb 0.15 0.50 0.36 0.00 -1.47 0.00 0.00 33.84 33.38 1ooy n VAL 391 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 1ooy h SER 392 N 2.79 0.00 -3.07 -1.34 4.64 -1.00 -3.45 113.55 112.13 1ooy h SER 392 Ca 0.00 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.70 1ooy h SER 392 Cb 0.82 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.82 1ooy h SER 392 CO 0.00 0.00 -0.41 -0.55 -0.87 0.00 0.00 176.83 175.00 1ooy s SER 393 N -5.49 6.39 0.47 4.97 0.15 -1.26 -4.79 113.70 114.13 1ooy s SER 393 Ca 0.07 0.46 0.23 0.00 0.70 0.00 0.00 55.95 57.40 1ooy s SER 393 Cb 0.08 -2.13 1.14 0.00 -1.71 0.00 0.00 66.02 63.40 1ooy s SER 393 CO 0.60 0.24 1.95 0.00 1.20 0.00 0.00 173.24 177.23 1ooy h ALA 394 N 5.97 1.23 0.00 5.45 0.00 -1.92 -2.91 119.26 127.08 1ooy h ALA 394 Ca -0.46 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.16 1ooy h ALA 394 Cb 1.18 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1ooy h ALA 394 CO 0.69 0.26 -0.45 0.87 0.00 0.00 0.00 179.25 180.62 1ooy h LYS 395 N 0.00 0.00 -5.98 0.00 1.57 -1.92 -3.44 116.57 106.80 1ooy h LYS 395 Ca -0.00 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.21 1ooy h LYS 395 Cb 0.52 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.77 1ooy h LYS 395 CO 0.03 0.45 -0.00 0.99 -0.57 0.00 0.00 179.45 180.34 1ooy s THR 396 N -3.19 5.03 0.05 -0.16 2.01 -1.10 -4.92 115.64 113.36 1ooy s THR 396 Ca 0.03 1.25 -0.31 0.00 0.31 0.00 0.00 61.69 62.98 1ooy s THR 396 Cb 0.09 -3.95 -0.05 0.00 0.01 0.00 0.00 72.50 68.60 1ooy s THR 396 CO 0.72 0.33 1.21 -0.75 -0.69 0.00 0.00 174.62 175.43 1ooy s LYS 397 N 0.41 4.42 -0.20 4.92 2.20 0.10 -4.87 119.74 126.72 1ooy s LYS 397 Ca 0.32 1.77 -0.03 0.00 -0.36 0.00 0.00 55.97 57.67 1ooy s LYS 397 Cb -0.17 -3.38 -0.01 0.00 -1.51 0.00 0.00 37.83 32.76 1ooy s LYS 397 CO 0.16 -0.29 -0.06 0.08 -0.36 0.00 0.00 175.35 174.88 1ooy s VAL 398 N 1.22 3.31 -0.13 4.02 1.01 -1.26 0.07 120.40 128.65 1ooy s VAL 398 Ca 0.59 -0.52 0.02 0.00 0.00 0.00 0.00 61.98 62.06 1ooy s VAL 398 Cb -0.29 -2.49 0.00 0.00 0.00 0.00 0.00 36.38 33.60 1ooy s VAL 398 CO 0.28 0.44 -0.20 -0.69 0.00 0.00 0.00 175.10 174.94 1ooy s VAL 399 N 1.27 2.35 -0.15 2.92 1.01 -0.07 -0.43 120.40 127.31 1ooy s VAL 399 Ca 0.03 -0.89 -0.08 0.00 0.00 0.00 0.00 61.98 61.04 1ooy s VAL 399 Cb -0.14 -1.95 -0.04 0.00 0.00 0.00 0.00 36.38 34.24 1ooy s VAL 399 CO -0.02 0.54 0.13 -0.69 0.00 0.00 0.00 175.10 175.05 1ooy s VAL 400 N 0.63 5.37 -0.21 2.92 1.01 0.06 -1.24 120.40 128.94 1ooy s VAL 400 Ca -0.10 0.17 0.02 0.00 0.00 0.00 0.00 61.98 62.06 1ooy s VAL 400 Cb -0.16 -3.38 0.03 0.00 0.00 0.00 0.00 36.38 32.88 1ooy s VAL 400 CO 0.02 0.56 -0.16 0.42 0.00 0.00 0.00 175.10 175.94 1ooy s THR 401 N -0.52 2.06 0.10 3.92 -4.23 -0.07 -0.53 115.64 116.36 1ooy s THR 401 Ca 0.12 -1.16 -0.20 0.00 -1.18 0.00 0.00 61.69 59.28 1ooy s THR 401 Cb -0.12 -1.97 0.05 0.00 1.34 0.00 0.00 72.50 71.80 1ooy s THR 401 CO 0.02 0.34 0.48 0.00 -0.54 0.00 0.00 174.62 174.91 1ooy s MET 402 N 1.24 1.09 0.37 3.99 0.23 -0.33 -4.01 119.30 121.89 1ooy s MET 402 Ca 0.00 -0.49 -0.28 0.00 -1.03 0.00 0.00 55.69 53.90 1ooy s MET 402 Cb -0.15 0.49 -0.10 0.00 -1.53 0.00 0.00 34.83 33.54 1ooy s MET 402 CO -0.10 -0.43 1.37 -1.21 -2.03 0.00 0.00 175.02 172.63 1ooy s GLU 403 N -3.28 4.13 0.22 3.16 2.02 -1.26 -3.94 118.70 119.74 1ooy s GLU 403 Ca -0.01 2.33 -0.09 0.00 0.02 0.00 0.00 54.97 57.23 1ooy s GLU 403 Cb 0.00 -2.93 0.23 0.00 0.10 0.00 0.00 34.13 31.54 1ooy s GLU 403 CO -0.08 -0.42 1.84 1.25 0.02 0.00 0.00 175.26 177.86 1ooy h HIS 404 N 3.00 0.83 -3.39 1.61 2.76 -1.92 -3.44 115.15 114.60 1ooy h HIS 404 Ca -0.50 0.02 -0.41 0.00 -2.20 0.00 0.00 60.37 57.29 1ooy h HIS 404 Cb 1.24 -0.27 -0.17 0.00 1.55 0.00 0.00 27.41 29.76 1ooy h HIS 404 CO 0.54 0.45 -0.75 -1.12 -1.30 0.00 0.00 177.93 175.75 1ooy s SER 405 N -5.72 2.10 0.83 3.26 0.01 -1.26 -3.67 113.70 109.26 1ooy s SER 405 Ca -0.13 -0.90 -0.12 0.00 1.31 0.00 0.00 55.95 56.12 1ooy s SER 405 Cb 0.16 -0.07 0.09 0.00 0.21 0.00 0.00 66.02 66.41 1ooy s SER 405 CO 0.77 -0.18 1.16 0.00 0.41 0.00 0.00 173.24 175.40 1ooy s ALA 406 N -2.55 2.37 0.26 1.44 0.00 0.69 -4.86 121.76 119.11 1ooy s ALA 406 Ca 0.13 -0.57 -0.31 0.00 0.00 0.00 0.00 51.96 51.22 1ooy s ALA 406 Cb -0.03 -2.99 -0.12 0.00 0.00 0.00 0.00 23.12 19.98 1ooy s ALA 406 CO 0.03 -1.84 1.58 1.63 0.00 0.00 0.00 175.76 177.17 1ooy n LYS 407 N -3.44 2.57 0.00 0.00 4.76 -1.26 -0.01 118.16 120.77 1ooy n LYS 407 Ca 0.07 0.92 0.00 0.00 -2.87 0.00 0.00 58.31 56.43 1ooy n LYS 407 Cb 0.60 -2.69 0.00 0.00 -1.84 0.00 0.00 35.03 31.10 1ooy n LYS 407 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ooy n GLY 408 N 2.51 3.35 0.98 0.72 0.00 -1.26 -4.22 105.19 107.28 1ooy n GLY 408 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1ooy n GLY 408 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ooy n ASN 409 N 0.01 -1.24 -4.67 1.61 5.03 0.98 -5.07 115.26 111.91 1ooy n ASN 409 Ca 0.00 0.00 -0.36 0.00 0.87 0.00 0.00 54.58 55.09 1ooy n ASN 409 Cb 0.00 -0.21 0.09 0.00 -1.02 0.00 0.00 39.78 38.64 1ooy n ASN 409 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1ooy n ALA 410 N -0.60 0.39 -1.77 5.41 0.00 -1.24 -4.58 120.51 118.11 1ooy n ALA 410 Ca 0.00 -0.12 -0.37 0.00 0.00 0.00 0.00 53.44 52.94 1ooy n ALA 410 Cb 0.00 -2.22 -0.01 0.00 0.00 0.00 0.00 19.45 17.21 1ooy n ALA 410 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1ooy s HIS 411 N -1.68 2.96 -0.06 0.00 0.09 -1.26 -0.22 115.29 115.12 1ooy s HIS 411 Ca 0.77 1.55 0.12 0.00 -0.00 0.00 0.00 55.06 57.51 1ooy s HIS 411 Cb -0.35 -3.36 -0.18 0.00 -0.00 0.00 0.00 32.58 28.68 1ooy s HIS 411 CO 0.46 -1.38 0.19 1.63 -0.00 0.00 0.00 174.74 175.64 1ooy n LYS 412 N -0.31 1.06 -3.70 1.40 5.02 -1.24 -4.67 118.16 115.73 1ooy n LYS 412 Ca 0.06 -0.07 -0.37 0.00 -2.02 0.00 0.00 58.31 55.91 1ooy n LYS 412 Cb 0.48 -1.32 -0.12 0.00 -0.02 0.00 0.00 35.03 34.05 1ooy n LYS 412 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1ooy s ILE 413 N -2.67 4.63 0.29 -0.18 1.01 -1.26 -1.05 121.20 121.98 1ooy s ILE 413 Ca -0.05 -0.09 -0.02 0.00 0.00 0.00 0.00 60.65 60.49 1ooy s ILE 413 Cb 0.07 -3.20 0.01 0.00 0.01 0.00 0.00 42.46 39.35 1ooy s ILE 413 CO 0.53 0.29 0.41 1.15 0.00 0.00 0.00 174.94 177.32 1ooy n MET 414 N 4.97 0.59 -0.14 2.79 0.00 -0.75 0.13 117.12 124.71 1ooy n MET 414 Ca -0.15 -2.24 -0.08 0.00 0.00 0.00 0.00 57.70 55.22 1ooy n MET 414 Cb 0.51 2.19 0.00 0.00 0.00 0.00 0.00 33.22 35.93 1ooy n MET 414 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 175.97 176.90 1ooy h GLU 415 N 0.00 0.57 -3.30 3.17 4.39 -1.86 0.20 114.58 117.76 1ooy h GLU 415 Ca -0.22 -0.05 -0.17 0.00 0.34 0.00 0.00 59.36 59.26 1ooy h GLU 415 Cb 0.96 -0.12 -0.25 0.00 -0.10 0.00 0.00 28.75 29.24 1ooy h GLU 415 CO 0.30 0.41 -0.48 0.15 -1.16 0.00 0.00 179.01 178.23 1ooy s LYS 416 N -6.05 0.30 0.55 2.33 -0.14 -1.26 -3.44 119.74 112.02 1ooy s LYS 416 Ca -0.13 0.12 -0.19 0.00 -1.36 0.00 0.00 55.97 54.40 1ooy s LYS 416 Cb 0.11 0.14 -0.06 0.00 -1.68 0.00 0.00 37.83 36.34 1ooy s LYS 416 CO 0.73 -0.05 1.12 0.00 -0.76 0.00 0.00 175.35 176.39 1ooy n THR 418 N -1.35 0.00 -3.02 0.00 -2.24 -1.26 -4.98 114.28 101.43 1ooy n THR 418 Ca 0.11 -0.22 -0.24 0.00 -2.27 0.00 0.00 64.05 61.44 1ooy n THR 418 Cb 0.51 0.77 0.01 0.00 -2.10 0.00 0.00 70.33 69.52 1ooy n THR 418 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1ooy s LEU 419 N -3.03 3.71 0.27 3.22 1.43 -1.26 -5.02 118.68 118.00 1ooy s LEU 419 Ca 0.02 0.37 -0.31 0.00 -1.03 0.00 0.00 54.13 53.19 1ooy s LEU 419 Cb 0.10 -3.25 -0.12 0.00 0.03 0.00 0.00 46.19 42.95 1ooy s LEU 419 CO 0.58 -0.62 1.59 -2.65 0.23 0.00 0.00 176.35 175.47 1ooy n PRO 420 N -2.05 2.61 -2.59 1.29 -0.02 -1.26 -4.83 135.00 128.15 1ooy n PRO 420 Ca 0.00 0.93 -0.37 0.00 -2.02 0.00 0.00 63.50 62.04 1ooy n PRO 420 Cb 0.57 -2.70 -0.05 0.00 -0.02 0.00 0.00 33.50 31.30 1ooy n PRO 420 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1ooy s LEU 421 N -0.16 4.26 -0.09 2.45 1.43 -1.26 -4.13 118.68 121.18 1ooy s LEU 421 Ca 0.66 2.03 0.08 0.00 -1.03 0.00 0.00 54.13 55.88 1ooy s LEU 421 Cb -0.52 -4.04 -0.24 0.00 0.03 0.00 0.00 46.19 41.42 1ooy s LEU 421 CO 0.46 -0.33 0.49 0.41 0.23 0.00 0.00 176.35 177.61 1ooy n THR 422 N 0.30 1.62 -3.56 5.49 -1.04 0.24 -4.53 114.28 112.81 1ooy n THR 422 Ca 0.03 -0.76 -0.07 0.00 -2.04 0.00 0.00 64.05 61.21 1ooy n THR 422 Cb 0.49 -1.14 -0.02 0.00 -1.82 0.00 0.00 70.33 67.84 1ooy n THR 422 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1ooy s GLY 423 N -5.32 -0.41 -0.10 3.41 0.00 -1.15 -4.53 107.32 99.22 1ooy s GLY 423 Ca -0.11 0.87 -0.03 0.00 0.00 0.00 0.00 44.72 45.45 1ooy s GLY 423 CO 0.80 0.28 0.02 0.54 0.00 0.00 0.00 173.10 174.74 1ooy s LYS 424 N -3.10 3.12 -1.32 2.90 1.02 -1.26 -1.23 119.74 119.87 1ooy s LYS 424 Ca 0.07 -0.37 -0.17 0.00 0.02 0.00 0.00 55.97 55.52 1ooy s LYS 424 Cb -0.01 -2.87 0.02 0.00 -0.52 0.00 0.00 37.83 34.45 1ooy s LYS 424 CO -0.07 0.68 0.49 1.04 -0.92 0.00 0.00 175.35 176.57 1ooy n GLN 425 N 2.24 -1.20 0.00 1.68 6.02 -1.18 -4.81 117.38 120.13 1ooy n GLN 425 Ca -0.19 0.22 0.00 0.00 -0.01 0.00 0.00 57.00 57.02 1ooy n GLN 425 Cb 0.54 -3.48 0.00 0.00 1.02 0.00 0.00 30.24 28.31 1ooy n GLN 425 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ooy s VAL 427 N -0.86 5.13 -0.02 0.00 1.01 -0.33 -4.44 120.40 120.89 1ooy s VAL 427 Ca 0.00 0.78 0.14 0.00 0.00 0.00 0.00 61.98 62.90 1ooy s VAL 427 Cb 0.00 -3.70 -0.21 0.00 0.00 0.00 0.00 36.38 32.47 1ooy s VAL 427 CO 0.00 0.50 0.29 0.59 0.00 0.00 0.00 175.10 176.48 1ooy n ASN 428 N 2.48 1.88 -3.66 3.32 4.13 0.43 -4.62 115.26 119.23 1ooy n ASN 428 Ca -0.13 0.00 -0.15 0.00 1.68 0.00 0.00 54.58 55.99 1ooy n ASN 428 Cb 0.52 1.60 -0.08 0.00 -1.54 0.00 0.00 39.78 40.29 1ooy n ASN 428 CO 0.00 0.00 0.00 -0.60 0.28 0.00 0.00 177.26 176.94 1ooy s ARG 429 N -2.93 0.76 -0.08 3.52 3.52 -0.92 -0.22 118.95 122.60 1ooy s ARG 429 Ca -0.05 0.45 0.03 0.00 -0.13 0.00 0.00 55.73 56.04 1ooy s ARG 429 Cb 0.09 0.36 0.00 0.00 -1.56 0.00 0.00 34.95 33.84 1ooy s ARG 429 CO 0.57 -0.16 -0.19 0.42 -0.81 0.00 0.00 175.30 175.13 1ooy s ILE 430 N -0.40 1.62 -0.17 4.11 1.01 0.15 -0.76 121.20 126.77 1ooy s ILE 430 Ca -0.05 -0.77 0.01 0.00 0.00 0.00 0.00 60.65 59.83 1ooy s ILE 430 Cb -0.03 -1.43 0.01 0.00 0.01 0.00 0.00 42.46 41.02 1ooy s ILE 430 CO 0.04 0.46 -0.17 -0.63 0.00 0.00 0.00 174.94 174.64 1ooy s ILE 431 N 0.43 2.40 0.31 2.92 1.01 0.31 -0.01 121.20 128.57 1ooy s ILE 431 Ca -0.15 -0.85 0.01 0.00 0.00 0.00 0.00 60.65 59.66 1ooy s ILE 431 Cb -0.16 -2.01 -0.00 0.00 0.01 0.00 0.00 42.46 40.29 1ooy s ILE 431 CO 0.06 0.52 0.04 0.35 0.00 0.00 0.00 174.94 175.91 1ooy n THR 432 N 4.31 0.00 0.89 2.92 -2.24 0.55 -1.19 114.28 119.52 1ooy n THR 432 Ca -0.20 -1.57 0.13 0.00 -2.27 0.00 0.00 64.05 60.14 1ooy n THR 432 Cb 0.51 0.42 0.56 0.00 -2.10 0.00 0.00 70.33 69.72 1ooy n THR 432 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1ooy n GLU 433 N -0.73 0.02 -0.08 -0.78 0.00 -1.26 -3.66 120.64 114.15 1ooy n GLU 433 Ca -0.10 0.06 -0.09 0.00 0.00 0.00 0.00 57.16 57.04 1ooy n GLU 433 Cb 0.41 -1.53 -0.12 0.00 0.00 0.00 0.00 31.44 30.21 1ooy n GLU 433 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1ooy n LYS 434 N -1.57 1.31 -3.59 3.44 5.02 -1.26 -4.69 118.16 116.82 1ooy n LYS 434 Ca 0.06 0.01 -0.11 0.00 -2.02 0.00 0.00 58.31 56.25 1ooy n LYS 434 Cb 0.32 -1.40 -0.04 0.00 -0.02 0.00 0.00 35.03 33.89 1ooy n LYS 434 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ooy s ALA 435 N -2.38 -1.10 -0.09 7.82 0.00 -1.24 -0.55 121.76 124.20 1ooy s ALA 435 Ca -0.10 0.07 0.04 0.00 0.00 0.00 0.00 51.96 51.97 1ooy s ALA 435 Cb 0.05 0.76 0.00 0.00 0.00 0.00 0.00 23.12 23.94 1ooy s ALA 435 CO 0.62 -0.69 -0.21 0.08 0.00 0.00 0.00 175.76 175.56 1ooy s VAL 436 N -3.80 1.84 -0.04 0.00 1.01 -0.46 -0.33 120.40 118.61 1ooy s VAL 436 Ca 0.03 -0.89 0.07 0.00 0.00 0.00 0.00 61.98 61.19 1ooy s VAL 436 Cb 0.01 -1.60 -0.02 0.00 0.00 0.00 0.00 36.38 34.77 1ooy s VAL 436 CO -0.11 0.51 -0.24 -0.36 0.00 0.00 0.00 175.10 174.89 1ooy s PHE 437 N 0.44 2.42 0.25 5.22 0.08 0.98 -0.60 117.98 126.78 1ooy s PHE 437 Ca -0.17 -0.58 -0.11 0.00 0.12 0.00 0.00 56.93 56.18 1ooy s PHE 437 Cb -0.17 -1.57 -0.08 0.00 -0.57 0.00 0.00 43.02 40.63 1ooy s PHE 437 CO 0.07 -0.12 0.61 -0.51 -0.10 0.00 0.00 175.22 175.17 1ooy s ASP 438 N -0.36 6.68 -0.05 1.36 1.01 0.11 -0.67 116.67 124.75 1ooy s ASP 438 Ca 0.02 1.04 0.05 0.00 0.71 0.00 0.00 52.55 54.37 1ooy s ASP 438 Cb -0.12 -2.27 -0.01 0.00 1.01 0.00 0.00 42.92 41.53 1ooy s ASP 438 CO 0.02 -0.10 -0.21 -0.69 0.21 0.00 0.00 175.17 174.40 1ooy s VAL 439 N -1.85 1.69 -0.04 -1.27 1.01 0.70 -1.05 120.40 119.59 1ooy s VAL 439 Ca 0.49 -0.87 0.03 0.00 0.00 0.00 0.00 61.98 61.63 1ooy s VAL 439 Cb -0.11 -1.44 0.00 0.00 0.00 0.00 0.00 36.38 34.83 1ooy s VAL 439 CO 0.20 0.48 -0.12 -0.62 0.00 0.00 0.00 175.10 175.04 1ooy s ASP 440 N -0.06 1.64 0.17 3.32 2.15 0.17 -4.57 116.67 119.50 1ooy s ASP 440 Ca -0.03 -0.27 0.18 0.00 0.43 0.00 0.00 52.55 52.86 1ooy s ASP 440 Cb -0.12 -0.54 0.81 0.00 -0.30 0.00 0.00 42.92 42.77 1ooy s ASP 440 CO 0.03 0.08 1.55 -2.11 -0.17 0.00 0.00 175.17 174.55 1ooy n ARG 441 N 3.39 0.11 -0.04 4.34 1.85 -1.25 -0.46 116.66 124.60 1ooy n ARG 441 Ca -0.20 0.43 -0.05 0.00 -1.00 0.00 0.00 57.85 57.03 1ooy n ARG 441 Cb 0.53 -1.75 -0.05 0.00 -1.05 0.00 0.00 32.46 30.14 1ooy n ARG 441 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 1ooy n LYS 442 N -1.97 1.53 0.02 2.89 5.02 -1.26 -4.74 118.16 119.65 1ooy n LYS 442 Ca 0.02 0.03 0.11 0.00 -2.02 0.00 0.00 58.31 56.44 1ooy n LYS 442 Cb 0.15 -1.19 -0.08 0.00 -0.02 0.00 0.00 35.03 33.89 1ooy n LYS 442 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1ooy n LYS 443 N -2.52 0.46 0.00 1.97 2.85 -1.15 -5.08 118.16 114.68 1ooy n LYS 443 Ca -0.15 -0.06 0.00 0.00 -1.05 0.00 0.00 58.31 57.05 1ooy n LYS 443 Cb 0.71 -1.59 0.00 0.00 -0.65 0.00 0.00 35.03 33.50 1ooy n LYS 443 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1ooy n GLY 444 N 1.31 0.55 3.88 2.58 0.00 0.39 -4.93 105.19 108.97 1ooy n GLY 444 Ca -0.01 -1.47 -0.34 0.00 0.00 0.00 0.00 46.02 44.20 1ooy n GLY 444 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ooy s LEU 445 N 0.00 4.34 -0.09 0.99 1.43 -1.23 -0.66 118.68 123.47 1ooy s LEU 445 Ca 0.00 0.63 -0.01 0.00 -1.03 0.00 0.00 54.13 53.72 1ooy s LEU 445 Cb 0.00 -2.91 0.03 0.00 0.03 0.00 0.00 46.19 43.33 1ooy s LEU 445 CO 0.00 0.18 -0.04 -0.89 0.23 0.00 0.00 176.35 175.83 1ooy s THR 446 N -1.41 0.70 -0.20 5.49 2.01 -0.22 -0.09 115.64 121.92 1ooy s THR 446 Ca 0.32 -0.10 -0.29 0.00 0.31 0.00 0.00 61.69 61.93 1ooy s THR 446 Cb -0.13 -0.77 -0.00 0.00 0.01 0.00 0.00 72.50 71.60 1ooy s THR 446 CO 0.19 0.31 1.17 -0.22 -0.69 0.00 0.00 174.62 175.38 1ooy s LEU 447 N 1.71 4.14 -0.01 4.42 2.96 0.11 0.07 118.68 132.08 1ooy s LEU 447 Ca 0.03 1.54 0.05 0.00 -0.22 0.00 0.00 54.13 55.53 1ooy s LEU 447 Cb -0.13 -3.54 -0.08 0.00 0.50 0.00 0.00 46.19 42.94 1ooy s LEU 447 CO -0.06 -0.74 0.12 2.30 -1.32 0.00 0.00 176.35 176.66 1ooy n ILE 448 N 5.38 0.00 -3.94 6.68 -5.35 0.24 -1.02 119.36 121.35 1ooy n ILE 448 Ca 0.13 -0.13 -0.10 0.00 -0.27 0.00 0.00 62.75 62.38 1ooy n ILE 448 Cb 0.45 0.40 -0.12 0.00 -1.74 0.00 0.00 39.64 38.64 1ooy n ILE 448 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 1ooy s GLU 449 N -2.34 0.25 -0.05 6.28 2.02 -1.07 -2.18 118.70 121.62 1ooy s GLU 449 Ca -0.02 -0.44 -0.00 0.00 0.02 0.00 0.00 54.97 54.53 1ooy s GLU 449 Cb 0.03 0.09 0.03 0.00 0.10 0.00 0.00 34.13 34.38 1ooy s GLU 449 CO 0.22 -0.04 -0.01 -1.17 0.02 0.00 0.00 175.26 174.28 1ooy s LEU 450 N -1.10 0.94 0.34 1.80 2.96 -0.06 -1.36 118.68 122.20 1ooy s LEU 450 Ca -0.12 -0.06 -0.29 0.00 -0.22 0.00 0.00 54.13 53.44 1ooy s LEU 450 Cb -0.07 -0.34 -0.11 0.00 0.50 0.00 0.00 46.19 46.17 1ooy s LEU 450 CO -0.01 -0.13 1.48 0.86 -1.32 0.00 0.00 176.35 177.23 1ooy s TRP 451 N 1.38 2.73 0.09 5.38 -0.11 0.28 -0.06 118.94 128.65 1ooy s TRP 451 Ca -0.04 1.11 -0.36 0.00 1.22 0.00 0.00 56.10 58.03 1ooy s TRP 451 Cb -0.13 -3.96 -0.17 0.00 -1.50 0.00 0.00 33.47 27.71 1ooy s TRP 451 CO -0.02 -2.91 1.25 -1.91 -4.62 0.00 0.00 176.95 168.74 1ooy n GLU 452 N 1.04 0.97 0.00 5.86 0.00 -1.26 -1.54 120.64 125.72 1ooy n GLU 452 Ca 0.03 0.35 0.00 0.00 0.00 0.00 0.00 57.16 57.54 1ooy n GLU 452 Cb 0.39 -1.93 0.00 0.00 0.00 0.00 0.00 31.44 29.90 1ooy n GLU 452 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1ooy n GLY 453 N 2.27 2.91 3.91 8.31 0.00 -1.26 -5.00 105.19 116.33 1ooy n GLY 453 Ca 0.18 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.95 1ooy n GLY 453 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ooy s LEU 454 N 0.00 4.17 0.35 0.99 1.43 -0.59 -5.11 118.68 119.92 1ooy s LEU 454 Ca 0.00 0.04 0.09 0.00 -1.03 0.00 0.00 54.13 53.23 1ooy s LEU 454 Cb 0.00 -2.74 -0.05 0.00 0.03 0.00 0.00 46.19 43.43 1ooy s LEU 454 CO 0.00 0.02 0.03 0.42 0.23 0.00 0.00 176.35 177.05 1ooy s THR 455 N -1.84 2.60 0.29 5.49 -4.23 -1.26 -4.81 115.64 111.88 1ooy s THR 455 Ca 0.33 -1.94 0.02 0.00 -1.18 0.00 0.00 61.69 58.92 1ooy s THR 455 Cb -0.10 -2.82 0.29 0.00 1.34 0.00 0.00 72.50 71.20 1ooy s THR 455 CO 0.27 -0.18 1.85 0.58 -0.54 0.00 0.00 174.62 176.60 1ooy h VAL 456 N 1.77 0.94 -0.24 2.29 2.07 -1.99 0.14 116.25 121.22 1ooy h VAL 456 Ca -0.43 -0.34 -0.06 0.00 0.82 0.00 0.00 66.70 66.69 1ooy h VAL 456 Cb 1.25 -0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 1ooy h VAL 456 CO 0.67 0.18 -0.13 -0.78 0.02 0.00 0.00 177.57 177.53 1ooy h ASP 457 N 0.99 0.39 -0.79 0.57 3.58 -1.99 0.11 116.42 119.29 1ooy h ASP 457 Ca 0.48 -0.09 -0.03 0.00 0.42 0.00 0.00 57.03 57.80 1ooy h ASP 457 Cb 0.46 -0.10 -0.04 0.00 1.72 0.00 0.00 39.33 41.37 1ooy h ASP 457 CO -0.24 0.55 0.37 0.44 -2.88 0.00 0.00 179.24 177.48 1ooy h ASP 458 N 0.38 1.04 -0.38 2.28 3.32 -1.39 -0.06 116.42 121.62 1ooy h ASP 458 Ca 0.07 -0.13 -0.08 0.00 0.02 0.00 0.00 57.03 56.92 1ooy h ASP 458 Cb 0.46 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 1ooy h ASP 458 CO 0.03 0.89 -0.07 0.40 -1.72 0.00 0.00 179.24 178.76 1ooy h ILE 459 N 1.13 1.27 -0.66 0.35 1.08 -0.30 -2.38 117.51 118.01 1ooy h ILE 459 Ca 0.27 -1.13 0.05 0.00 -0.39 0.00 0.00 64.86 63.67 1ooy h ILE 459 Cb 0.13 1.24 -0.05 0.00 -3.07 0.00 0.00 36.82 35.06 1ooy h ILE 459 CO -0.03 0.38 0.37 0.11 -0.69 0.00 0.00 178.15 178.29 1ooy h LYS 460 N 0.52 0.68 0.00 2.37 1.57 -0.33 -1.25 116.57 120.13 1ooy h LYS 460 Ca 0.10 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.82 1ooy h LYS 460 Cb 0.57 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.73 1ooy h LYS 460 CO 0.03 0.45 -0.09 0.87 -0.57 0.00 0.00 179.45 180.15 1ooy h LYS 461 N 0.70 0.00 -0.28 3.15 1.57 -0.76 -3.02 116.57 117.93 1ooy h LYS 461 Ca 0.29 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 59.01 1ooy h LYS 461 Cb 0.15 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.42 1ooy h LYS 461 CO -0.16 0.09 -0.01 -1.13 -0.57 0.00 0.00 179.45 177.66 1ooy n SER 462 N -3.51 3.39 -3.95 0.86 3.41 -0.55 -4.93 113.62 108.35 1ooy n SER 462 Ca -0.02 -3.25 -0.22 0.00 -0.26 0.00 0.00 58.87 55.12 1ooy n SER 462 Cb 0.22 -0.57 -0.16 0.00 -0.26 0.00 0.00 64.21 63.44 1ooy n SER 462 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1ooy s THR 463 N -2.96 0.81 -0.98 6.66 2.01 -0.74 -4.71 115.64 115.73 1ooy s THR 463 Ca 0.43 -0.28 0.03 0.00 0.31 0.00 0.00 61.69 62.17 1ooy s THR 463 Cb 0.36 -0.79 0.15 0.00 0.01 0.00 0.00 72.50 72.23 1ooy s THR 463 CO 0.06 0.29 0.77 0.61 -0.69 0.00 0.00 174.62 175.65 1ooy n GLY 464 N 3.99 1.54 3.71 4.40 0.00 0.35 -4.81 105.19 114.36 1ooy n GLY 464 Ca -0.23 -0.17 -0.08 0.00 0.00 0.00 0.00 46.02 45.54 1ooy n GLY 464 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ooy s ASP 466 N -2.96 4.61 0.03 0.00 1.01 -1.26 -5.01 116.67 113.08 1ooy s ASP 466 Ca 0.16 1.09 -0.24 0.00 0.71 0.00 0.00 52.55 54.28 1ooy s ASP 466 Cb -0.03 -1.77 0.06 0.00 1.01 0.00 0.00 42.92 42.18 1ooy s ASP 466 CO 0.07 -1.87 0.55 0.72 0.21 0.00 0.00 175.17 174.85 1ooy s PHE 467 N -3.32 -0.48 0.50 4.23 -0.12 -1.26 -4.58 117.98 112.95 1ooy s PHE 467 Ca 0.61 0.61 -0.11 0.00 -0.05 0.00 0.00 56.93 57.98 1ooy s PHE 467 Cb -0.13 0.36 -0.06 0.00 -0.63 0.00 0.00 43.02 42.57 1ooy s PHE 467 CO 0.52 -0.64 0.90 0.00 -0.05 0.00 0.00 175.22 175.95 1ooy s ALA 468 N -2.18 3.22 -0.22 1.99 0.00 0.87 -4.89 121.76 120.54 1ooy s ALA 468 Ca -0.07 -0.12 -0.05 0.00 0.00 0.00 0.00 51.96 51.72 1ooy s ALA 468 Cb -0.01 -2.89 -0.01 0.00 0.00 0.00 0.00 23.12 20.21 1ooy s ALA 468 CO 0.01 -0.30 -0.02 0.08 0.00 0.00 0.00 175.76 175.53 1ooy s VAL 469 N -2.71 3.63 0.37 0.00 1.01 -1.26 0.04 120.40 121.48 1ooy s VAL 469 Ca 0.54 -0.41 -0.28 0.00 0.00 0.00 0.00 61.98 61.83 1ooy s VAL 469 Cb -0.10 -2.66 -0.11 0.00 0.00 0.00 0.00 36.38 33.51 1ooy s VAL 469 CO 0.39 0.41 1.44 -0.55 0.00 0.00 0.00 175.10 176.80 1ooy s SER 470 N 1.41 6.40 0.00 3.32 0.15 -0.18 -4.83 113.70 119.96 1ooy s SER 470 Ca 0.05 2.96 0.22 0.00 0.70 0.00 0.00 55.95 59.89 1ooy s SER 470 Cb -0.14 -2.66 1.09 0.00 -1.71 0.00 0.00 66.02 62.60 1ooy s SER 470 CO -0.01 -0.82 1.72 -0.81 1.20 0.00 0.00 173.24 174.52 1ooy n PRO 471 N 0.48 0.26 -0.59 5.44 -0.04 -1.26 -1.91 135.00 137.38 1ooy n PRO 471 Ca 0.01 0.08 0.03 0.00 -0.04 0.00 0.00 63.50 63.58 1ooy n PRO 471 Cb 0.40 -1.50 0.23 0.00 -0.04 0.00 0.00 33.50 32.59 1ooy n PRO 471 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1ooy n LYS 472 N -1.33 2.41 -1.66 0.54 4.76 -1.26 -5.03 118.16 116.59 1ooy n LYS 472 Ca 0.10 -2.97 -0.51 0.00 -2.87 0.00 0.00 58.31 52.05 1ooy n LYS 472 Cb 0.19 -1.83 -0.06 0.00 -1.84 0.00 0.00 35.03 31.50 1ooy n LYS 472 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 1ooy n LEU 473 N -0.81 2.52 -4.50 -0.35 7.94 -0.80 -4.95 117.00 116.05 1ooy n LEU 473 Ca 0.27 1.07 -0.25 0.00 -1.11 0.00 0.00 56.01 55.99 1ooy n LEU 473 Cb 0.96 -1.27 -0.10 0.00 0.53 0.00 0.00 43.42 43.54 1ooy n LEU 473 CO 0.17 -0.53 -0.41 0.27 -1.11 0.00 0.00 177.39 175.79 1ooy s ILE 474 N 1.99 2.22 0.53 1.96 -4.36 -0.93 -4.97 121.20 117.64 1ooy s ILE 474 Ca 0.88 -2.25 -0.22 0.00 -0.26 0.00 0.00 60.65 58.79 1ooy s ILE 474 Cb -0.86 -2.50 -0.06 0.00 1.25 0.00 0.00 42.46 40.29 1ooy s ILE 474 CO 0.50 -0.28 1.33 -2.65 0.24 0.00 0.00 174.94 174.07 1ooy n PRO 475 N -0.70 1.71 -1.72 0.37 -0.02 -1.26 -0.88 135.00 132.50 1ooy n PRO 475 Ca -0.05 0.63 -0.42 0.00 -2.02 0.00 0.00 63.50 61.63 1ooy n PRO 475 Cb 0.62 -2.53 -0.03 0.00 -0.02 0.00 0.00 33.50 31.55 1ooy n PRO 475 CO 0.00 0.00 0.00 -0.12 1.98 0.00 0.00 175.50 177.36 1ooy n MET 476 N -0.82 2.76 -1.82 -0.52 1.56 0.92 -4.55 117.12 114.66 1ooy n MET 476 Ca 0.10 1.00 -0.31 0.00 -0.27 0.00 0.00 57.70 58.21 1ooy n MET 476 Cb 0.44 -2.84 0.02 0.00 2.15 0.00 0.00 33.22 32.99 1ooy n MET 476 CO 0.00 0.00 0.00 -0.65 -0.73 0.00 0.00 175.97 174.59 1ooy s GLN 477 N 1.15 3.29 -0.02 2.12 -1.52 -1.26 -4.87 119.66 118.55 1ooy s GLN 477 Ca 0.75 0.93 -0.01 0.00 -1.95 0.00 0.00 55.36 55.09 1ooy s GLN 477 Cb -0.51 -2.04 0.02 0.00 -0.22 0.00 0.00 33.01 30.26 1ooy s GLN 477 CO 0.33 -0.81 0.05 -0.65 -0.25 0.00 0.00 175.29 173.95 1ooy s GLN 478 N -4.83 0.01 0.55 2.91 -1.52 -1.26 -4.26 119.66 111.26 1ooy s GLN 478 Ca 0.58 0.16 -0.21 0.00 -1.95 0.00 0.00 55.36 53.94 1ooy s GLN 478 Cb -0.13 -0.14 -0.05 0.00 -0.22 0.00 0.00 33.01 32.48 1ooy s GLN 478 CO 0.49 -0.11 1.32 0.54 -0.25 0.00 0.00 175.29 177.28 1ooy s VAL 479 N 0.69 2.25 -0.15 1.09 0.11 0.08 -4.92 120.40 119.56 1ooy s VAL 479 Ca -0.06 0.18 0.15 0.00 -2.93 0.00 0.00 61.98 59.33 1ooy s VAL 479 Cb -0.08 -3.09 0.03 0.00 -1.53 0.00 0.00 36.38 31.71 1ooy s VAL 479 CO -0.02 -0.01 1.33 0.74 -3.33 0.00 0.00 175.10 173.81 1ooy h THR 480 N 1.38 0.79 0.00 5.04 2.02 -1.93 -3.49 112.91 116.72 1ooy h THR 480 Ca -0.51 -2.16 0.00 0.00 0.77 0.00 0.00 66.41 64.51 1ooy h THR 480 Cb 1.30 2.34 0.00 0.00 -1.74 0.00 0.00 68.15 70.05 1ooy h THR 480 CO 0.57 0.45 0.00 0.41 0.37 0.00 0.00 175.52 177.32