#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iud n GLY 5 N 0.00 0.53 3.50 0.62 0.00 -1.26 -4.97 105.19 103.60 1iud n GLY 5 Ca 0.00 -0.30 -0.01 0.00 0.00 0.00 0.00 46.02 45.71 1iud n GLY 5 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1iud s LYS 6 N -4.08 0.55 -0.05 1.61 2.20 -1.26 -3.78 119.74 114.93 1iud s LYS 6 Ca 0.00 1.31 -0.20 0.00 -0.36 0.00 0.00 55.97 56.72 1iud s LYS 6 Cb 0.00 0.73 -0.05 0.00 -1.51 0.00 0.00 37.83 37.00 1iud s LYS 6 CO 0.00 -0.29 0.58 -0.51 -0.36 0.00 0.00 175.35 174.76 1iud s LEU 7 N 2.85 4.36 -0.26 5.43 1.43 0.20 -4.94 118.68 127.76 1iud s LEU 7 Ca -0.00 1.07 -0.00 0.00 -1.03 0.00 0.00 54.13 54.16 1iud s LEU 7 Cb -0.13 -2.88 0.04 0.00 0.03 0.00 0.00 46.19 43.25 1iud s LEU 7 CO -0.19 0.04 -0.06 -0.69 0.23 0.00 0.00 176.35 175.68 1iud s VAL 8 N 0.19 2.70 -0.09 -1.59 1.01 -1.26 0.12 120.40 121.48 1iud s VAL 8 Ca 0.31 -1.27 0.00 0.00 0.00 0.00 0.00 61.98 61.02 1iud s VAL 8 Cb -0.17 -2.46 -0.03 0.00 0.00 0.00 0.00 36.38 33.72 1iud s VAL 8 CO 0.15 0.08 -0.07 -0.63 0.00 0.00 0.00 175.10 174.63 1iud s ILE 9 N 1.25 3.67 0.03 2.22 1.01 0.32 0.19 121.20 129.89 1iud s ILE 9 Ca -0.03 -0.48 0.05 0.00 0.00 0.00 0.00 60.65 60.19 1iud s ILE 9 Cb -0.18 -2.52 -0.03 0.00 0.01 0.00 0.00 42.46 39.74 1iud s ILE 9 CO -0.04 0.58 -0.11 0.26 0.00 0.00 0.00 174.94 175.63 1iud s TRP 10 N -0.54 2.75 -0.24 3.97 0.52 -1.05 -0.50 118.94 123.86 1iud s TRP 10 Ca 0.08 -0.13 -0.17 0.00 0.02 0.00 0.00 56.10 55.90 1iud s TRP 10 Cb -0.12 -1.53 0.07 0.00 -1.15 0.00 0.00 33.47 30.74 1iud s TRP 10 CO 0.02 0.34 0.60 -1.50 0.02 0.00 0.00 176.95 176.43 1iud s ILE 11 N -1.01 -0.01 0.78 2.03 2.07 -1.19 -1.29 121.20 122.59 1iud s ILE 11 Ca 0.17 0.02 -0.15 0.00 -1.41 0.00 0.00 60.65 59.28 1iud s ILE 11 Cb -0.11 -0.86 0.03 0.00 0.13 0.00 0.00 42.46 41.65 1iud s ILE 11 CO 0.08 0.01 0.88 -3.20 -1.91 0.00 0.00 174.94 170.79 1iud n ASN 12 N 3.65 -0.04 0.04 4.50 5.15 -1.26 -4.51 115.26 122.79 1iud n ASN 12 Ca -0.18 0.58 0.06 0.00 -0.60 0.00 0.00 54.58 54.44 1iud n ASN 12 Cb 0.57 -1.37 0.49 0.00 -0.53 0.00 0.00 39.78 38.93 1iud n ASN 12 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 1iud h GLY 13 N -0.66 0.44 1.47 8.20 0.00 -1.83 -2.37 103.07 108.32 1iud h GLY 13 Ca -0.46 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 46.71 1iud h GLY 13 CO 0.44 0.14 0.00 2.09 0.00 0.00 0.00 176.54 179.21 1iud n ASP 14 N -4.49 0.00 -4.96 0.19 5.68 -1.26 -4.81 116.55 106.90 1iud n ASP 14 Ca 0.03 -0.26 -0.22 0.00 -0.50 0.00 0.00 54.79 53.83 1iud n ASP 14 Cb 0.12 -0.23 0.03 0.00 -1.14 0.00 0.00 41.12 39.90 1iud n ASP 14 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 1iud s LYS 15 N -2.47 2.64 -1.18 0.11 3.01 -0.89 -4.84 119.74 116.11 1iud s LYS 15 Ca 0.30 -0.65 -0.14 0.00 -1.01 0.00 0.00 55.97 54.47 1iud s LYS 15 Cb 0.19 -2.47 -0.06 0.00 -1.01 0.00 0.00 37.83 34.48 1iud s LYS 15 CO 0.41 -0.66 2.25 0.41 0.51 0.00 0.00 175.35 178.28 1iud n GLY 16 N -2.34 3.60 0.33 -3.33 0.00 -1.26 -4.72 105.19 97.46 1iud n GLY 16 Ca 0.06 -1.34 0.15 0.00 0.00 0.00 0.00 46.02 44.90 1iud n GLY 16 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 1iud h TYR 17 N 6.43 0.00 0.00 1.61 -0.00 -1.87 0.15 116.97 123.28 1iud h TYR 17 Ca 0.57 0.00 -0.12 0.00 0.00 0.00 0.00 58.73 59.18 1iud h TYR 17 Cb 0.49 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.20 1iud h TYR 17 CO 1.57 0.00 -0.57 -0.91 -0.00 0.00 0.00 178.16 178.26 1iud h ASN 18 N 0.00 0.00 -0.17 0.10 2.35 -1.95 -1.98 115.58 113.93 1iud h ASN 18 Ca 0.13 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.78 1iud h ASN 18 Cb 0.55 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.92 1iud h ASN 18 CO -0.00 0.57 -0.27 1.23 -1.65 0.00 0.00 177.43 177.31 1iud h GLY 19 N 2.39 0.53 0.78 2.83 0.00 -0.97 -2.68 103.07 105.95 1iud h GLY 19 Ca -0.01 -0.60 -0.03 0.00 0.00 0.00 0.00 47.33 46.69 1iud h GLY 19 CO 0.07 0.54 -0.50 -2.00 0.00 0.00 0.00 176.54 174.66 1iud h LEU 20 N 0.13 -1.27 -0.98 3.11 6.46 -1.33 -2.07 115.31 119.36 1iud h LEU 20 Ca 0.02 0.07 0.29 0.00 -0.12 0.00 0.00 57.88 58.14 1iud h LEU 20 Cb 0.85 0.37 -0.14 0.00 -0.73 0.00 0.00 40.66 41.00 1iud h LEU 20 CO 0.06 -0.75 0.51 0.00 -0.62 0.00 0.00 178.44 177.63 1iud h ALA 21 N -1.16 1.80 -0.37 1.25 0.00 -1.44 0.68 119.26 120.02 1iud h ALA 21 Ca -0.10 0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1iud h ALA 21 Cb 0.97 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 1iud h ALA 21 CO 0.09 -0.51 0.14 1.49 0.00 0.00 0.00 179.25 180.47 1iud h GLU 22 N 0.33 0.55 -0.48 0.00 4.81 -1.09 0.11 114.58 118.82 1iud h GLU 22 Ca 0.69 -0.10 -0.00 0.00 -0.13 0.00 0.00 59.36 59.81 1iud h GLU 22 Cb 1.51 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.77 1iud h GLU 22 CO -0.60 0.54 0.29 0.28 -0.73 0.00 0.00 179.01 178.79 1iud h VAL 23 N 0.45 1.14 -0.60 0.32 2.07 0.79 0.13 116.25 120.54 1iud h VAL 23 Ca 0.12 -0.30 0.02 0.00 0.82 0.00 0.00 66.70 67.36 1iud h VAL 23 Cb 0.19 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 30.39 1iud h VAL 23 CO -0.01 0.14 0.39 1.23 0.02 0.00 0.00 177.57 179.34 1iud h GLY 24 N 0.69 0.85 0.92 2.17 0.00 0.10 -1.52 103.07 106.28 1iud h GLY 24 Ca 0.17 -0.30 0.02 0.00 0.00 0.00 0.00 47.33 47.22 1iud h GLY 24 CO -0.03 0.28 0.36 0.50 0.00 0.00 0.00 176.54 177.64 1iud h LYS 25 N 0.78 0.69 -0.55 4.80 1.57 0.89 0.37 116.57 125.12 1iud h LYS 25 Ca 0.23 -0.04 0.16 0.00 -1.87 0.00 0.00 60.65 59.13 1iud h LYS 25 Cb -0.04 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.09 1iud h LYS 25 CO -0.07 0.46 0.40 -0.22 -0.57 0.00 0.00 179.45 179.45 1iud h LYS 26 N 0.71 0.00 0.54 3.15 3.64 -0.49 0.31 116.57 124.43 1iud h LYS 26 Ca 0.22 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.58 1iud h LYS 26 Cb -0.02 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1iud h LYS 26 CO -0.08 0.00 -0.26 0.35 -2.27 0.00 0.00 179.45 177.19 1iud h PHE 27 N 0.00 -0.67 -0.54 1.91 3.57 -0.27 -3.21 116.94 117.73 1iud h PHE 27 Ca 0.26 -0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.84 1iud h PHE 27 Cb 1.07 0.22 -0.08 0.00 2.79 0.00 0.00 35.95 39.95 1iud h PHE 27 CO 0.00 -0.42 0.09 1.49 -2.23 0.00 0.00 178.31 177.25 1iud h GLU 28 N -1.11 0.22 0.00 1.11 4.81 -0.55 0.83 114.58 119.88 1iud h GLU 28 Ca -0.07 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 1iud h GLU 28 Cb 0.56 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.89 1iud h GLU 28 CO 0.12 0.14 0.08 0.36 -0.73 0.00 0.00 179.01 178.98 1iud n LYS 29 N -5.14 0.00 0.00 1.92 2.85 0.94 0.10 118.16 118.83 1iud n LYS 29 Ca 0.07 0.38 0.00 0.00 -1.05 0.00 0.00 58.31 57.71 1iud n LYS 29 Cb 0.28 -1.58 0.00 0.00 -0.65 0.00 0.00 35.03 33.08 1iud n LYS 29 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1iud n ASP 30 N -1.37 0.00 0.00 -5.58 9.92 1.00 -4.83 116.55 115.68 1iud n ASP 30 Ca 0.00 0.00 0.11 0.00 -0.53 0.00 0.00 54.79 54.37 1iud n ASP 30 Cb 0.08 -0.09 0.60 0.00 -0.64 0.00 0.00 41.12 41.06 1iud n ASP 30 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 1iud n THR 31 N -1.98 0.22 -3.80 -3.53 -2.24 0.25 -4.91 114.28 98.30 1iud n THR 31 Ca 0.00 0.06 -0.25 0.00 -2.27 0.00 0.00 64.05 61.59 1iud n THR 31 Cb 0.00 -0.69 0.03 0.00 -2.10 0.00 0.00 70.33 67.57 1iud n THR 31 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1iud n GLY 32 N 0.58 -0.36 3.22 3.38 0.00 0.28 -4.92 105.19 107.38 1iud n GLY 32 Ca 0.12 0.15 -0.26 0.00 0.00 0.00 0.00 46.02 46.04 1iud n GLY 32 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1iud s ILE 33 N -3.56 1.58 -0.29 -0.61 -1.09 -1.26 -4.99 121.20 110.99 1iud s ILE 33 Ca 0.24 -1.00 -0.16 0.00 -2.23 0.00 0.00 60.65 57.50 1iud s ILE 33 Cb -0.12 -1.34 -0.03 0.00 -1.58 0.00 0.00 42.46 39.39 1iud s ILE 33 CO 0.83 0.32 0.44 -0.75 -1.23 0.00 0.00 174.94 174.55 1iud s LYS 34 N -0.79 3.93 -0.20 2.79 2.20 -1.25 -3.64 119.74 122.79 1iud s LYS 34 Ca 0.07 0.06 -0.06 0.00 -0.36 0.00 0.00 55.97 55.68 1iud s LYS 34 Cb -0.08 -3.69 -0.03 0.00 -1.51 0.00 0.00 37.83 32.52 1iud s LYS 34 CO 0.00 -0.38 0.02 0.08 -0.36 0.00 0.00 175.35 174.72 1iud s VAL 35 N 2.20 4.24 -0.31 4.02 1.01 -1.26 -0.62 120.40 129.67 1iud s VAL 35 Ca 0.17 -0.22 -0.02 0.00 0.00 0.00 0.00 61.98 61.92 1iud s VAL 35 Cb -0.16 -2.92 0.06 0.00 0.00 0.00 0.00 36.38 33.36 1iud s VAL 35 CO 0.10 0.43 0.02 -0.89 0.00 0.00 0.00 175.10 174.77 1iud s THR 36 N 0.84 2.98 -0.93 3.92 2.01 0.32 -4.89 115.64 119.88 1iud s THR 36 Ca 0.02 -1.51 -0.21 0.00 0.31 0.00 0.00 61.69 60.30 1iud s THR 36 Cb -0.14 -2.77 0.10 0.00 0.01 0.00 0.00 72.50 69.70 1iud s THR 36 CO 0.02 -0.19 1.23 -0.69 -0.69 0.00 0.00 174.62 174.30 1iud s VAL 37 N 1.22 4.39 0.45 3.82 1.01 -1.26 -0.52 120.40 129.51 1iud s VAL 37 Ca -0.03 -1.14 0.01 0.00 0.00 0.00 0.00 61.98 60.82 1iud s VAL 37 Cb -0.20 -4.87 0.00 0.00 0.00 0.00 0.00 36.38 31.31 1iud s VAL 37 CO -0.02 -1.66 0.67 -1.61 0.00 0.00 0.00 175.10 172.48 1iud s GLU 38 N 3.67 3.00 -0.46 2.72 2.02 0.35 -4.98 118.70 125.01 1iud s GLU 38 Ca 0.36 -0.58 0.06 0.00 0.02 0.00 0.00 54.97 54.84 1iud s GLU 38 Cb -0.04 -2.57 0.22 0.00 0.10 0.00 0.00 34.13 31.84 1iud s GLU 38 CO -0.07 -0.30 0.71 -2.39 0.02 0.00 0.00 175.26 173.22 1iud n HIS 39 N -2.08 -2.47 -0.40 1.61 1.44 -1.26 -3.16 115.22 108.90 1iud n HIS 39 Ca 0.02 -2.28 -0.06 0.00 -2.01 0.00 0.00 57.72 53.40 1iud n HIS 39 Cb 0.58 0.95 0.06 0.00 0.12 0.00 0.00 29.99 31.70 1iud n HIS 39 CO 0.00 0.00 0.00 -2.30 -2.81 0.00 0.00 176.34 171.23 1iud n PRO 40 N 1.98 0.28 -4.16 -1.40 -0.02 -1.26 -4.65 135.00 125.78 1iud n PRO 40 Ca 0.16 -0.28 -0.33 0.00 -2.02 0.00 0.00 63.50 61.03 1iud n PRO 40 Cb 0.58 -0.84 -0.16 0.00 -0.02 0.00 0.00 33.50 33.06 1iud n PRO 40 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1iud s ASP 41 N -1.50 3.32 -0.25 2.55 1.11 -1.26 -4.46 116.67 116.18 1iud s ASP 41 Ca 0.13 -0.60 -0.00 0.00 0.18 0.00 0.00 52.55 52.26 1iud s ASP 41 Cb -0.02 -1.52 0.00 0.00 1.07 0.00 0.00 42.92 42.45 1iud s ASP 41 CO 0.11 0.01 0.02 1.17 1.18 0.00 0.00 175.17 177.65 1iud n LYS 42 N 4.57 -0.33 0.18 8.23 3.00 -1.26 -4.87 118.16 127.67 1iud n LYS 42 Ca -0.20 0.14 0.18 0.00 -0.00 0.00 0.00 58.31 58.43 1iud n LYS 42 Cb 0.50 -3.74 0.74 0.00 0.00 0.00 0.00 35.03 32.54 1iud n LYS 42 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.40 178.77 1iud h LEU 43 N -0.04 0.00 -0.58 3.14 8.10 -1.95 0.66 115.31 124.64 1iud h LEU 43 Ca -0.07 0.00 -0.06 0.00 0.11 0.00 0.00 57.88 57.85 1iud h LEU 43 Cb 1.05 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 41.25 1iud h LEU 43 CO 0.08 0.00 0.12 1.05 -4.11 0.00 0.00 178.44 175.58 1iud h GLU 44 N 0.00 0.94 0.00 0.17 9.09 -1.94 -2.23 114.58 120.62 1iud h GLU 44 Ca 0.13 -0.24 -0.19 0.00 0.05 0.00 0.00 59.36 59.11 1iud h GLU 44 Cb 1.01 -0.12 -0.03 0.00 -1.65 0.00 0.00 28.75 27.96 1iud h GLU 44 CO -0.00 0.89 -1.52 0.39 0.05 0.00 0.00 179.01 178.82 1iud n GLU 45 N -4.35 0.63 0.22 1.06 1.02 0.22 -4.26 120.64 115.18 1iud n GLU 45 Ca 0.03 0.21 -0.14 0.00 -0.02 0.00 0.00 57.16 57.23 1iud n GLU 45 Cb 0.26 -1.78 -0.08 0.00 -0.02 0.00 0.00 31.44 29.82 1iud n GLU 45 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1iud h LYS 46 N 0.00 -0.56 -0.76 3.49 1.57 -1.15 -3.32 116.57 115.85 1iud h LYS 46 Ca -0.19 0.04 0.07 0.00 -1.87 0.00 0.00 60.65 58.69 1iud h LYS 46 Cb 1.65 0.13 -0.09 0.00 0.08 0.00 0.00 32.23 34.00 1iud h LYS 46 CO 0.05 -0.26 -0.45 0.34 -0.57 0.00 0.00 179.45 178.56 1iud n PHE 47 N -5.23 -0.33 -0.16 -1.35 7.35 -0.84 0.10 117.46 116.99 1iud n PHE 47 Ca -0.10 0.95 0.22 0.00 -0.76 0.00 0.00 57.45 57.76 1iud n PHE 47 Cb 0.29 -0.56 0.62 0.00 0.35 0.00 0.00 39.48 40.19 1iud n PHE 47 CO 0.00 0.00 0.00 -1.35 -0.76 0.00 0.00 176.76 174.65 1iud h PRO 48 N 0.00 0.17 0.13 -7.13 0.11 -1.76 0.38 132.00 123.90 1iud h PRO 48 Ca 0.12 -0.01 -0.30 0.00 0.11 0.00 0.00 66.00 65.92 1iud h PRO 48 Cb 0.31 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.38 1iud h PRO 48 CO -0.71 0.11 -1.45 1.96 -0.21 0.00 0.00 178.00 177.70 1iud h GLN 49 N 0.18 0.27 0.24 1.05 4.20 0.56 -2.85 115.11 118.76 1iud h GLN 49 Ca 0.40 -0.47 -0.33 0.00 0.06 0.00 0.00 58.65 58.32 1iud h GLN 49 Cb 1.31 0.17 0.03 0.00 0.30 0.00 0.00 27.48 29.30 1iud h GLN 49 CO -0.07 1.16 -1.46 0.28 -0.67 0.00 0.00 178.83 178.07 1iud h VAL 50 N 0.07 1.26 0.00 -0.54 2.07 0.05 -3.28 116.25 115.88 1iud h VAL 50 Ca -0.21 -2.66 -0.06 0.00 0.82 0.00 0.00 66.70 64.59 1iud h VAL 50 Cb 2.01 3.03 -0.01 0.00 -1.52 0.00 0.00 31.29 34.80 1iud h VAL 50 CO 0.18 0.81 -0.27 0.00 0.02 0.00 0.00 177.57 178.31 1iud h ALA 51 N 0.14 0.88 0.00 1.67 0.00 -0.41 -1.49 119.26 120.04 1iud h ALA 51 Ca -0.26 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1iud h ALA 51 Cb 2.12 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.87 1iud h ALA 51 CO 0.25 0.34 0.00 0.00 0.00 0.00 0.00 179.25 179.84 1iud h ALA 52 N 1.73 1.00 -1.64 0.00 0.00 -1.56 -0.00 119.26 118.79 1iud h ALA 52 Ca -0.00 0.00 -0.59 0.00 0.00 0.00 0.00 54.91 54.32 1iud h ALA 52 Cb 1.05 0.00 -0.42 0.00 0.00 0.00 0.00 17.79 18.42 1iud h ALA 52 CO 0.03 0.00 -0.73 0.25 0.00 0.00 0.00 179.25 178.81 1iud n THR 53 N -2.49 2.45 -1.73 0.00 -2.24 -0.89 -4.95 114.28 104.43 1iud n THR 53 Ca -0.02 -5.01 0.00 0.00 -2.27 0.00 0.00 64.05 56.75 1iud n THR 53 Cb 0.06 -1.25 0.00 0.00 -2.10 0.00 0.00 70.33 67.04 1iud n THR 53 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1iud n GLY 54 N -0.43 -0.26 3.54 3.38 0.00 -0.02 -4.86 105.19 106.54 1iud n GLY 54 Ca 0.37 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.14 1iud n GLY 54 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1iud s ASP 55 N -1.45 3.07 0.00 1.61 2.15 -0.61 -4.92 116.67 116.52 1iud s ASP 55 Ca 0.00 -1.43 0.00 0.00 0.43 0.00 0.00 52.55 51.55 1iud s ASP 55 Cb 0.00 -0.07 0.00 0.00 -0.30 0.00 0.00 42.92 42.55 1iud s ASP 55 CO 0.00 -0.61 0.00 0.61 -0.17 0.00 0.00 175.17 175.00 1iud n GLY 56 N -0.86 0.29 3.81 2.66 0.00 -1.26 -2.11 105.19 107.73 1iud n GLY 56 Ca -0.05 -2.01 -0.36 0.00 0.00 0.00 0.00 46.02 43.60 1iud n GLY 56 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1iud s PRO 57 N -0.17 4.28 -0.02 1.61 0.04 -1.26 -4.93 135.00 134.55 1iud s PRO 57 Ca 0.00 0.95 -0.22 0.00 0.04 0.00 0.00 61.00 61.77 1iud s PRO 57 Cb 0.00 -2.76 -0.15 0.00 0.04 0.00 0.00 34.50 31.64 1iud s PRO 57 CO 0.00 0.31 0.98 -0.44 0.04 0.00 0.00 177.00 177.89 1iud h ASP 58 N 3.11 -0.35 -3.35 6.66 3.32 0.18 -3.39 116.42 122.59 1iud h ASP 58 Ca -0.48 -0.19 -0.65 0.00 0.02 0.00 0.00 57.03 55.74 1iud h ASP 58 Cb 1.19 0.09 -0.14 0.00 0.22 0.00 0.00 39.33 40.69 1iud h ASP 58 CO 0.65 0.09 -0.72 -0.63 -1.72 0.00 0.00 179.24 176.91 1iud s ILE 59 N -3.98 3.46 -0.06 0.35 1.01 -0.92 0.37 121.20 121.44 1iud s ILE 59 Ca -0.12 -1.33 -0.07 0.00 0.00 0.00 0.00 60.65 59.13 1iud s ILE 59 Cb 0.01 -2.66 0.02 0.00 0.01 0.00 0.00 42.46 39.84 1iud s ILE 59 CO 0.45 0.04 0.18 -0.51 0.00 0.00 0.00 174.94 175.11 1iud s ILE 60 N -1.38 0.01 -0.11 2.92 2.07 -0.61 -2.53 121.20 121.58 1iud s ILE 60 Ca 0.23 -0.08 -0.02 0.00 -1.41 0.00 0.00 60.65 59.37 1iud s ILE 60 Cb -0.10 -0.29 -0.03 0.00 0.13 0.00 0.00 42.46 42.17 1iud s ILE 60 CO 0.15 -0.05 -0.02 -0.36 -1.91 0.00 0.00 174.94 172.75 1iud s PHE 61 N -0.09 3.07 -0.19 3.50 0.40 -0.41 0.54 117.98 124.80 1iud s PHE 61 Ca -0.02 -0.02 -0.31 0.00 -0.60 0.00 0.00 56.93 55.98 1iud s PHE 61 Cb -0.02 -1.84 0.15 0.00 0.51 0.00 0.00 43.02 41.81 1iud s PHE 61 CO 0.00 0.25 1.16 -0.46 0.70 0.00 0.00 175.22 176.87 1iud s TRP 62 N -0.38 -0.20 0.18 0.36 -0.11 -0.30 -4.46 118.94 114.03 1iud s TRP 62 Ca 0.07 0.27 -0.32 0.00 1.22 0.00 0.00 56.10 57.34 1iud s TRP 62 Cb -0.12 0.49 -0.11 0.00 -1.50 0.00 0.00 33.47 32.22 1iud s TRP 62 CO 0.02 -0.23 1.76 0.00 -4.62 0.00 0.00 176.95 173.88 1iud s ALA 63 N -1.61 3.88 -0.01 5.86 0.00 -1.26 -1.60 121.76 127.03 1iud s ALA 63 Ca 0.05 1.54 0.00 0.00 0.00 0.00 0.00 51.96 53.56 1iud s ALA 63 Cb -0.01 -3.72 0.03 0.00 0.00 0.00 0.00 23.12 19.42 1iud s ALA 63 CO -0.04 -1.02 0.62 -2.39 0.00 0.00 0.00 175.76 172.93 1iud n HIS 64 N 4.53 0.02 0.25 0.00 1.44 0.73 -2.44 115.22 119.74 1iud n HIS 64 Ca 0.16 0.01 0.12 0.00 -2.01 0.00 0.00 57.72 56.01 1iud n HIS 64 Cb 0.36 -0.06 0.61 0.00 0.12 0.00 0.00 29.99 31.02 1iud n HIS 64 CO 0.00 0.00 0.00 0.38 -2.81 0.00 0.00 176.34 173.91 1iud h ASP 65 N 0.00 0.00 0.81 4.39 2.03 -1.86 -2.79 116.42 118.99 1iud h ASP 65 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1iud h ASP 65 Cb 1.01 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.51 1iud h ASP 65 CO 0.00 0.15 -0.26 0.54 -1.03 0.00 0.00 179.24 178.65 1iud n ARG 66 N -3.42 0.04 0.08 4.15 5.12 -1.02 -4.31 116.66 117.29 1iud n ARG 66 Ca -0.01 0.02 -0.10 0.00 -1.93 0.00 0.00 57.85 55.83 1iud n ARG 66 Cb 0.33 -1.53 -0.03 0.00 -1.16 0.00 0.00 32.46 30.07 1iud n ARG 66 CO 0.00 0.00 0.00 0.74 -1.93 0.00 0.00 177.63 176.44 1iud h PHE 67 N 0.00 0.41 -0.92 -1.55 -1.00 -1.72 -3.12 116.94 109.04 1iud h PHE 67 Ca 0.00 -0.23 0.08 0.00 2.81 0.00 0.00 57.97 60.63 1iud h PHE 67 Cb 0.53 -0.04 -0.06 0.00 3.61 0.00 0.00 35.95 39.99 1iud h PHE 67 CO 0.00 1.05 0.60 0.78 -1.61 0.00 0.00 178.31 179.12 1iud h GLY 68 N 1.63 1.36 0.72 -1.45 0.00 -1.46 0.18 103.07 104.06 1iud h GLY 68 Ca -0.06 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 46.85 1iud h GLY 68 CO 0.15 0.27 -0.12 -1.33 0.00 0.00 0.00 176.54 175.50 1iud h GLY 69 N 1.00 -0.35 0.20 4.60 0.00 -1.67 0.91 103.07 107.76 1iud h GLY 69 Ca 0.41 0.13 0.13 0.00 0.00 0.00 0.00 47.33 48.00 1iud h GLY 69 CO -0.17 -0.13 0.27 -0.97 0.00 0.00 0.00 176.54 175.54 1iud h TYR 70 N -0.62 0.46 0.71 5.60 -1.99 -1.35 -2.13 116.97 117.66 1iud h TYR 70 Ca -0.03 0.04 -0.03 0.00 2.00 0.00 0.00 58.73 60.70 1iud h TYR 70 Cb 0.44 -0.10 -0.00 0.00 2.00 0.00 0.00 36.73 39.07 1iud h TYR 70 CO 0.01 0.06 -0.44 0.00 -0.00 0.00 0.00 178.16 177.80 1iud h ALA 71 N 1.52 -1.24 -1.04 3.88 0.00 -0.36 0.22 119.26 122.24 1iud h ALA 71 Ca 0.38 -0.23 0.29 0.00 0.00 0.00 0.00 54.91 55.35 1iud h ALA 71 Cb 0.56 0.56 -0.06 0.00 0.00 0.00 0.00 17.79 18.85 1iud h ALA 71 CO -0.38 -1.20 0.72 0.37 0.00 0.00 0.00 179.25 178.76 1iud h GLN 72 N -1.08 0.16 0.00 0.00 4.15 -0.40 2.10 115.11 120.04 1iud h GLN 72 Ca -0.10 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.31 1iud h GLN 72 Cb 0.87 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.52 1iud h GLN 72 CO 0.10 0.10 -0.47 0.77 -1.93 0.00 0.00 178.83 177.40 1iud h SER 73 N 0.16 0.00 0.00 -0.69 0.02 -0.87 -3.48 113.55 108.69 1iud h SER 73 Ca 0.53 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.40 1iud h SER 73 Cb 1.78 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.32 1iud h SER 73 CO -0.11 0.04 0.00 0.61 -1.14 0.00 0.00 176.83 176.23 1iud n GLY 74 N 1.25 0.64 0.36 -3.77 0.00 0.71 -4.95 105.19 99.44 1iud n GLY 74 Ca 0.03 -0.76 0.14 0.00 0.00 0.00 0.00 46.02 45.44 1iud n GLY 74 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1iud n LEU 75 N 0.00 1.11 -4.10 0.99 4.77 -0.63 -4.78 117.00 114.36 1iud n LEU 75 Ca 0.00 -0.37 -0.27 0.00 -0.03 0.00 0.00 56.01 55.33 1iud n LEU 75 Cb 0.29 -0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 41.21 1iud n LEU 75 CO 0.00 0.19 -0.51 -0.76 -1.33 0.00 0.00 177.39 174.98 1iud s LEU 76 N -1.98 1.83 0.33 2.23 1.43 -1.26 -1.56 118.68 119.69 1iud s LEU 76 Ca 0.40 -0.40 -0.29 0.00 -1.03 0.00 0.00 54.13 52.82 1iud s LEU 76 Cb 0.21 -1.06 -0.10 0.00 0.03 0.00 0.00 46.19 45.27 1iud s LEU 76 CO 0.34 0.09 1.29 0.00 0.23 0.00 0.00 176.35 178.29 1iud s ALA 77 N 0.50 3.47 -0.00 4.21 0.00 -0.34 -4.75 121.76 124.86 1iud s ALA 77 Ca -0.16 1.22 -0.30 0.00 0.00 0.00 0.00 51.96 52.72 1iud s ALA 77 Cb -0.16 -3.46 -0.04 0.00 0.00 0.00 0.00 23.12 19.45 1iud s ALA 77 CO 0.06 -0.60 1.21 -2.00 0.00 0.00 0.00 175.76 174.42 1iud s GLU 78 N -1.79 4.39 0.32 0.00 2.12 -1.26 -4.73 118.70 117.75 1iud s GLU 78 Ca 0.49 1.73 -0.13 0.00 0.36 0.00 0.00 54.97 57.42 1iud s GLU 78 Cb -0.39 -3.47 -0.08 0.00 0.26 0.00 0.00 34.13 30.45 1iud s GLU 78 CO 0.51 -0.37 0.70 0.42 -0.54 0.00 0.00 175.26 175.99 1iud s ILE 79 N 1.72 4.76 -0.41 -3.70 1.09 -0.42 -5.02 121.20 119.22 1iud s ILE 79 Ca 0.57 0.76 0.06 0.00 -1.10 0.00 0.00 60.65 60.94 1iud s ILE 79 Cb -0.27 -3.64 0.22 0.00 -1.06 0.00 0.00 42.46 37.71 1iud s ILE 79 CO 0.25 -0.24 0.49 0.35 -0.10 0.00 0.00 174.94 175.69 1iud n THR 80 N -0.55 -0.82 -2.69 2.92 -2.24 -1.26 -4.63 114.28 105.01 1iud n THR 80 Ca 0.03 -3.50 -0.30 0.00 -2.27 0.00 0.00 64.05 58.00 1iud n THR 80 Cb 0.53 -1.50 -0.03 0.00 -2.10 0.00 0.00 70.33 67.24 1iud n THR 80 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1iud s PRO 81 N -0.51 3.77 0.66 -0.78 0.04 -1.26 -5.04 135.00 131.89 1iud s PRO 81 Ca 0.34 0.54 -0.13 0.00 0.04 0.00 0.00 61.00 61.79 1iud s PRO 81 Cb 0.12 -2.33 -0.01 0.00 0.04 0.00 0.00 34.50 32.33 1iud s PRO 81 CO -0.15 -0.13 1.06 0.16 0.04 0.00 0.00 177.00 177.99 1iud s ASP 82 N -3.30 5.45 0.60 6.66 1.47 -1.26 -4.79 116.67 121.50 1iud s ASP 82 Ca 0.52 1.73 0.29 0.00 1.18 0.00 0.00 52.55 56.27 1iud s ASP 82 Cb -0.10 -2.51 1.51 0.00 -0.34 0.00 0.00 42.92 41.47 1iud s ASP 82 CO 0.34 -1.39 1.92 0.11 0.68 0.00 0.00 175.17 176.82 1iud h LYS 83 N -0.28 0.00 -0.27 2.11 1.79 -1.99 0.86 116.57 118.80 1iud h LYS 83 Ca -0.45 0.00 -0.19 0.00 -2.18 0.00 0.00 60.65 57.83 1iud h LYS 83 Cb 1.22 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.87 1iud h LYS 83 CO 0.56 0.00 -0.59 0.00 -1.08 0.00 0.00 179.45 178.35 1iud h ALA 84 N 1.48 0.43 0.17 3.86 0.00 -2.00 -2.80 119.26 120.39 1iud h ALA 84 Ca 0.18 -0.53 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 1iud h ALA 84 Cb 1.05 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1iud h ALA 84 CO -0.00 0.68 -0.08 0.35 0.00 0.00 0.00 179.25 180.20 1iud h PHE 85 N 0.65 -0.21 -0.99 0.00 3.57 -1.22 -3.20 116.94 115.54 1iud h PHE 85 Ca 0.00 -0.00 0.32 0.00 3.53 0.00 0.00 57.97 61.82 1iud h PHE 85 Cb 1.20 0.07 -0.15 0.00 2.79 0.00 0.00 35.95 39.86 1iud h PHE 85 CO 0.08 0.16 0.52 1.96 -2.23 0.00 0.00 178.31 178.80 1iud h GLN 86 N -0.62 0.27 0.00 1.11 4.20 -1.29 0.22 115.11 118.99 1iud h GLN 86 Ca -0.02 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1iud h GLN 86 Cb 0.46 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.18 1iud h GLN 86 CO 0.04 0.18 0.00 -0.44 -0.67 0.00 0.00 178.83 177.94 1iud h ASP 87 N 0.28 0.00 1.19 1.46 5.19 -1.49 -2.09 116.42 120.97 1iud h ASP 87 Ca 0.72 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 57.11 1iud h ASP 87 Cb 1.64 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 41.15 1iud h ASP 87 CO -0.63 0.00 -0.08 0.11 -3.12 0.00 0.00 179.24 175.52 1iud h LYS 88 N 0.00 0.00 -5.98 3.56 1.57 -0.66 -3.44 116.57 111.62 1iud h LYS 88 Ca 0.00 0.00 -0.67 0.00 -1.87 0.00 0.00 60.65 58.11 1iud h LYS 88 Cb 0.19 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 32.39 1iud h LYS 88 CO 0.00 0.08 -0.59 -0.51 -0.57 0.00 0.00 179.45 177.86 1iud s LEU 89 N -6.36 3.79 0.46 2.94 1.02 -0.79 -1.86 118.68 117.88 1iud s LEU 89 Ca 0.02 0.16 -0.24 0.00 0.02 0.00 0.00 54.13 54.09 1iud s LEU 89 Cb 0.08 -2.06 -0.09 0.00 0.02 0.00 0.00 46.19 44.15 1iud s LEU 89 CO 0.60 0.32 1.16 -1.22 0.02 0.00 0.00 176.35 177.24 1iud n TYR 90 N 1.63 1.70 0.21 0.29 4.01 -1.11 -4.90 117.16 118.99 1iud n TYR 90 Ca -0.16 0.50 -0.15 0.00 -0.16 0.00 0.00 57.90 57.93 1iud n TYR 90 Cb 0.53 -2.30 -0.07 0.00 -0.31 0.00 0.00 39.34 37.19 1iud n TYR 90 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1iud h PRO 91 N 1.64 -0.64 -0.97 -0.72 0.11 -1.95 -2.95 132.00 126.53 1iud h PRO 91 Ca -0.47 0.04 0.31 0.00 0.11 0.00 0.00 66.00 65.99 1iud h PRO 91 Cb 1.32 0.15 -0.15 0.00 0.11 0.00 0.00 31.00 32.42 1iud h PRO 91 CO 0.57 -0.43 0.46 0.27 -0.21 0.00 0.00 178.00 178.67 1iud h PHE 92 N -0.66 0.73 -0.09 0.65 -0.00 -2.01 0.15 116.94 115.71 1iud h PHE 92 Ca -0.02 0.04 -0.04 0.00 -0.00 0.00 0.00 57.97 57.95 1iud h PHE 92 Cb 0.59 -0.16 -0.01 0.00 -0.00 0.00 0.00 35.95 36.37 1iud h PHE 92 CO -0.18 -0.23 -0.12 1.79 -0.00 0.00 0.00 178.31 179.58 1iud h THR 93 N 0.25 1.14 -0.38 0.88 1.35 -1.89 -0.80 112.91 113.46 1iud h THR 93 Ca 0.70 -0.62 -0.13 0.00 -0.55 0.00 0.00 66.41 65.81 1iud h THR 93 Cb 1.57 1.20 -0.01 0.00 -1.73 0.00 0.00 68.15 69.19 1iud h THR 93 CO -0.65 0.19 -0.29 -0.50 -0.25 0.00 0.00 175.52 174.02 1iud h TRP 94 N 0.13 0.95 -0.92 4.73 4.06 -0.80 -2.60 115.95 121.50 1iud h TRP 94 Ca 0.03 -0.24 0.09 0.00 2.06 0.00 0.00 58.89 60.82 1iud h TRP 94 Cb 0.30 -0.22 -0.07 0.00 -1.00 0.00 0.00 29.16 28.18 1iud h TRP 94 CO 0.00 1.01 0.59 -0.44 -3.56 0.00 0.00 178.44 176.04 1iud h ASP 95 N 0.69 0.86 0.18 -3.49 3.32 -0.92 -1.65 116.42 115.42 1iud h ASP 95 Ca 0.08 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.11 1iud h ASP 95 Cb 0.83 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.22 1iud h ASP 95 CO 0.07 0.52 -0.20 0.00 -1.72 0.00 0.00 179.24 177.92 1iud h ALA 96 N 1.53 1.64 -0.92 3.45 0.00 -1.15 -2.68 119.26 121.14 1iud h ALA 96 Ca 0.42 -0.19 -0.53 0.00 0.00 0.00 0.00 54.91 54.61 1iud h ALA 96 Cb 0.34 -0.04 -0.29 0.00 0.00 0.00 0.00 17.79 17.80 1iud h ALA 96 CO -0.18 0.27 0.59 1.33 0.00 0.00 0.00 179.25 181.26 1iud n VAL 97 N -4.29 3.24 -3.87 0.00 0.24 -0.62 -4.88 118.33 108.14 1iud n VAL 97 Ca -0.02 -2.38 -0.36 0.00 -2.04 0.00 0.00 64.34 59.54 1iud n VAL 97 Cb 0.27 -0.67 -0.14 0.00 -1.47 0.00 0.00 33.84 31.83 1iud n VAL 97 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 1iud s ARG 98 N -3.46 3.19 -0.09 7.34 3.52 -1.01 -1.16 118.95 127.28 1iud s ARG 98 Ca 0.58 -0.76 0.01 0.00 -0.13 0.00 0.00 55.73 55.42 1iud s ARG 98 Cb 0.48 -3.12 0.02 0.00 -1.56 0.00 0.00 34.95 30.77 1iud s ARG 98 CO 0.06 -0.31 -0.09 -0.47 -0.81 0.00 0.00 175.30 173.68 1iud s TYR 99 N 1.45 1.39 -1.31 5.12 5.04 -1.02 -4.80 117.35 123.22 1iud s TYR 99 Ca 0.04 -0.60 -0.04 0.00 -2.44 0.00 0.00 57.07 54.03 1iud s TYR 99 Cb -0.16 -1.11 0.01 0.00 0.35 0.00 0.00 41.96 41.06 1iud s TYR 99 CO -0.02 -0.39 0.95 -1.71 -1.34 0.00 0.00 175.55 173.05 1iud n ASN 100 N 4.42 -3.12 -3.16 4.32 5.15 -1.26 -0.87 115.26 120.74 1iud n ASN 100 Ca -0.18 -0.68 -0.22 0.00 -0.60 0.00 0.00 54.58 52.91 1iud n ASN 100 Cb 0.51 -4.63 0.00 0.00 -0.53 0.00 0.00 39.78 35.13 1iud n ASN 100 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1iud n GLY 101 N -1.53 -0.50 2.89 8.20 0.00 -1.26 -4.95 105.19 108.05 1iud n GLY 101 Ca -0.18 0.09 -0.16 0.00 0.00 0.00 0.00 46.02 45.77 1iud n GLY 101 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1iud s LYS 102 N -5.81 0.13 0.03 1.61 2.20 -0.05 -5.12 119.74 112.73 1iud s LYS 102 Ca 0.32 0.56 -0.30 0.00 -0.36 0.00 0.00 55.97 56.19 1iud s LYS 102 Cb -0.16 -0.40 -0.09 0.00 -1.51 0.00 0.00 37.83 35.67 1iud s LYS 102 CO 0.40 -0.39 1.97 -0.51 -0.36 0.00 0.00 175.35 176.46 1iud s LEU 103 N 2.36 4.42 -0.01 5.43 1.43 -1.26 -2.44 118.68 128.61 1iud s LEU 103 Ca 0.03 2.65 0.08 0.00 -1.03 0.00 0.00 54.13 55.86 1iud s LEU 103 Cb -0.13 -3.53 0.23 0.00 0.03 0.00 0.00 46.19 42.79 1iud s LEU 103 CO -0.09 -1.07 1.19 2.30 0.23 0.00 0.00 176.35 178.92 1iud n ILE 104 N 5.59 1.04 -3.57 -0.59 -5.35 -0.31 -1.30 119.36 114.88 1iud n ILE 104 Ca 0.20 -1.03 -0.07 0.00 -0.27 0.00 0.00 62.75 61.58 1iud n ILE 104 Cb 0.41 0.48 -0.02 0.00 -1.74 0.00 0.00 39.64 38.77 1iud n ILE 104 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1iud s ALA 105 N -1.06 -1.81 -0.21 -1.28 0.00 -1.26 -4.55 121.76 111.58 1iud s ALA 105 Ca 0.18 0.84 -0.10 0.00 0.00 0.00 0.00 51.96 52.87 1iud s ALA 105 Cb 0.10 0.44 -0.05 0.00 0.00 0.00 0.00 23.12 23.61 1iud s ALA 105 CO 0.11 -0.77 0.13 0.71 0.00 0.00 0.00 175.76 175.95 1iud s TYR 106 N -3.10 3.35 0.20 0.00 2.02 -1.22 -4.85 117.35 113.75 1iud s TYR 106 Ca 0.07 0.25 -0.30 0.00 -0.37 0.00 0.00 57.07 56.72 1iud s TYR 106 Cb -0.01 -2.20 -0.08 0.00 -0.40 0.00 0.00 41.96 39.27 1iud s TYR 106 CO -0.06 0.18 1.19 -2.14 -1.57 0.00 0.00 175.55 173.15 1iud s PRO 107 N 0.66 4.50 -0.12 -1.71 0.02 -1.26 -2.18 135.00 134.91 1iud s PRO 107 Ca 0.07 1.88 -0.03 0.00 0.02 0.00 0.00 61.00 62.94 1iud s PRO 107 Cb -0.12 -3.23 -0.06 0.00 0.02 0.00 0.00 34.50 31.11 1iud s PRO 107 CO 0.01 -0.06 -0.13 -0.89 -0.33 0.00 0.00 177.00 175.60 1iud n ILE 108 N 2.30 0.67 -3.61 2.83 2.08 0.25 -4.76 119.36 119.12 1iud n ILE 108 Ca 0.04 -0.21 -0.05 0.00 0.56 0.00 0.00 62.75 63.08 1iud n ILE 108 Cb 0.45 -1.32 -0.04 0.00 -0.75 0.00 0.00 39.64 37.97 1iud n ILE 108 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1iud s ALA 109 N -2.23 -2.04 -0.09 -1.39 0.00 -1.16 -0.92 121.76 113.93 1iud s ALA 109 Ca -0.17 1.75 -0.14 0.00 0.00 0.00 0.00 51.96 53.41 1iud s ALA 109 Cb 0.05 -1.10 -0.05 0.00 0.00 0.00 0.00 23.12 22.03 1iud s ALA 109 CO 0.24 -0.29 0.33 0.08 0.00 0.00 0.00 175.76 176.12 1iud s VAL 110 N -1.16 5.22 0.03 0.00 1.01 0.12 -0.61 120.40 125.01 1iud s VAL 110 Ca 0.05 0.65 0.02 0.00 0.00 0.00 0.00 61.98 62.70 1iud s VAL 110 Cb -0.01 -3.64 -0.02 0.00 0.00 0.00 0.00 36.38 32.71 1iud s VAL 110 CO -0.04 0.49 -0.08 -1.83 0.00 0.00 0.00 175.10 173.64 1iud s GLU 111 N -0.35 0.54 -0.11 2.72 -1.05 0.11 -0.91 118.70 119.65 1iud s GLU 111 Ca 0.20 -0.64 -0.17 0.00 -0.15 0.00 0.00 54.97 54.20 1iud s GLU 111 Cb -0.14 -0.37 0.04 0.00 -0.44 0.00 0.00 34.13 33.21 1iud s GLU 111 CO 0.08 0.08 0.44 0.00 0.95 0.00 0.00 175.26 176.81 1iud s ALA 112 N -1.08 -1.10 0.64 -0.84 0.00 -1.26 -1.99 121.76 116.14 1iud s ALA 112 Ca -0.06 0.99 -0.16 0.00 0.00 0.00 0.00 51.96 52.72 1iud s ALA 112 Cb -0.08 -0.39 -0.01 0.00 0.00 0.00 0.00 23.12 22.64 1iud s ALA 112 CO 0.00 -0.25 1.15 -0.51 0.00 0.00 0.00 175.76 176.15 1iud s LEU 113 N -0.44 3.47 0.00 0.00 1.43 -1.26 -4.47 118.68 117.41 1iud s LEU 113 Ca -0.06 2.16 0.03 0.00 -1.03 0.00 0.00 54.13 55.23 1iud s LEU 113 Cb -0.03 -4.57 -0.01 0.00 0.03 0.00 0.00 46.19 41.60 1iud s LEU 113 CO 0.03 -1.69 0.11 -1.20 0.23 0.00 0.00 176.35 173.83 1iud n SER 114 N -2.17 -0.25 -4.28 2.29 7.64 -1.17 -4.76 113.62 110.92 1iud n SER 114 Ca 0.12 -1.89 -0.36 0.00 1.01 0.00 0.00 58.87 57.75 1iud n SER 114 Cb 0.51 0.67 -0.14 0.00 -1.01 0.00 0.00 64.21 64.25 1iud n SER 114 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1iud s LEU 115 N 0.00 3.45 -0.27 -3.43 2.96 -0.26 -3.31 118.68 117.83 1iud s LEU 115 Ca 0.16 -0.75 -0.11 0.00 -0.22 0.00 0.00 54.13 53.21 1iud s LEU 115 Cb 0.01 -1.77 -0.05 0.00 0.50 0.00 0.00 46.19 44.88 1iud s LEU 115 CO 0.11 -0.14 0.18 -0.63 -1.32 0.00 0.00 176.35 174.55 1iud s ILE 116 N 1.42 5.27 0.13 6.68 1.01 0.13 -0.40 121.20 135.43 1iud s ILE 116 Ca 0.02 0.15 0.09 0.00 0.00 0.00 0.00 60.65 60.91 1iud s ILE 116 Cb -0.17 -3.50 -0.04 0.00 0.01 0.00 0.00 42.46 38.77 1iud s ILE 116 CO -0.01 0.28 -0.22 -0.72 0.00 0.00 0.00 174.94 174.27 1iud s TYR 117 N 1.59 1.96 -0.77 3.97 1.13 -0.02 -0.01 117.35 125.20 1iud s TYR 117 Ca 0.07 -0.41 -0.24 0.00 -1.41 0.00 0.00 57.07 55.07 1iud s TYR 117 Cb -0.15 -1.04 0.06 0.00 -1.10 0.00 0.00 41.96 39.73 1iud s TYR 117 CO 0.09 0.30 1.19 1.21 -2.51 0.00 0.00 175.55 175.83 1iud s ASN 118 N -2.22 6.26 0.66 -0.18 3.84 0.19 -0.91 114.94 122.59 1iud s ASN 118 Ca 0.12 -0.94 0.34 0.00 0.21 0.00 0.00 52.86 52.59 1iud s ASN 118 Cb -0.09 -2.50 1.85 0.00 -0.55 0.00 0.00 41.25 39.96 1iud s ASN 118 CO 0.06 -1.58 2.05 0.11 -2.79 0.00 0.00 177.10 174.94 1iud h LYS 119 N 9.73 0.00 -0.01 0.43 1.57 -1.41 0.27 116.57 127.15 1iud h LYS 119 Ca -0.17 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.61 1iud h LYS 119 Cb 1.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.36 1iud h LYS 119 CO 1.25 0.00 -0.18 -0.25 -0.57 0.00 0.00 179.45 179.70 1iud n ASP 120 N -2.97 0.70 0.00 0.86 9.92 -1.26 -3.60 116.55 120.20 1iud n ASP 120 Ca -0.02 -0.67 0.00 0.00 -0.53 0.00 0.00 54.79 53.56 1iud n ASP 120 Cb 0.30 0.01 0.00 0.00 -0.64 0.00 0.00 41.12 40.79 1iud n ASP 120 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1iud n LEU 121 N -0.85 0.30 -3.57 0.64 4.77 -0.17 -4.90 117.00 113.22 1iud n LEU 121 Ca 0.13 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.82 1iud n LEU 121 Cb 0.31 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.28 1iud n LEU 121 CO 0.25 0.05 -0.27 -0.22 -1.33 0.00 0.00 177.39 175.87 1iud s LEU 122 N -3.75 1.95 0.57 2.23 2.96 0.77 -4.95 118.68 118.46 1iud s LEU 122 Ca 0.00 -2.61 0.27 0.00 -0.22 0.00 0.00 54.13 51.57 1iud s LEU 122 Cb 0.00 -0.73 1.68 0.00 0.50 0.00 0.00 46.19 47.64 1iud s LEU 122 CO 0.00 -0.26 2.21 -0.65 -1.32 0.00 0.00 176.35 176.33 1iud h PRO 123 N 6.57 0.00 -3.14 0.98 0.11 -1.77 -3.36 132.00 131.38 1iud h PRO 123 Ca 0.07 0.00 -0.56 0.00 0.11 0.00 0.00 66.00 65.62 1iud h PRO 123 Cb 0.93 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 31.64 1iud h PRO 123 CO 0.39 0.03 -0.77 -0.80 -0.21 0.00 0.00 178.00 176.64 1iud s ASN 124 N -6.28 3.74 0.60 -2.05 0.01 -1.26 -4.98 114.94 104.71 1iud s ASN 124 Ca -0.05 -1.56 -0.18 0.00 -0.71 0.00 0.00 52.86 50.36 1iud s ASN 124 Cb 0.15 -0.62 -0.03 0.00 0.41 0.00 0.00 41.25 41.16 1iud s ASN 124 CO 0.57 -0.41 1.16 -2.16 -1.51 0.00 0.00 177.10 174.74 1iud s PRO 125 N 1.74 3.03 0.92 -0.60 0.04 -1.26 -4.98 135.00 133.90 1iud s PRO 125 Ca 0.10 1.66 -0.10 0.00 0.04 0.00 0.00 61.00 62.70 1iud s PRO 125 Cb -0.17 -1.96 0.14 0.00 0.04 0.00 0.00 34.50 32.55 1iud s PRO 125 CO -0.28 -1.12 1.11 -0.35 0.04 0.00 0.00 177.00 176.40 1iud n PRO 126 N -1.71 -0.46 -0.04 0.56 -0.04 -1.26 -4.93 135.00 127.12 1iud n PRO 126 Ca 0.12 -0.07 0.05 0.00 -0.04 0.00 0.00 63.50 63.56 1iud n PRO 126 Cb 0.51 -2.35 0.07 0.00 -0.04 0.00 0.00 33.50 31.68 1iud n PRO 126 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1iud n LYS 127 N -4.13 1.08 -3.88 0.54 5.02 -1.26 -4.74 118.16 110.80 1iud n LYS 127 Ca 0.12 -1.33 -0.11 0.00 -2.02 0.00 0.00 58.31 54.96 1iud n LYS 127 Cb 0.52 -1.19 -0.12 0.00 -0.02 0.00 0.00 35.03 34.22 1iud n LYS 127 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1iud s THR 128 N -0.85 0.05 0.17 -0.18 -4.23 -1.26 -2.21 115.64 107.12 1iud s THR 128 Ca 0.14 -0.37 -0.10 0.00 -1.18 0.00 0.00 61.69 60.17 1iud s THR 128 Cb 0.09 -0.24 0.02 0.00 1.34 0.00 0.00 72.50 73.71 1iud s THR 128 CO 0.12 -0.21 1.57 -0.50 -0.54 0.00 0.00 174.62 175.07 1iud h TRP 129 N 5.27 1.16 0.00 3.99 4.06 -1.70 -2.94 115.95 125.78 1iud h TRP 129 Ca -0.28 -0.26 0.00 0.00 2.06 0.00 0.00 58.89 60.41 1iud h TRP 129 Cb 1.20 -0.28 0.00 0.00 -1.00 0.00 0.00 29.16 29.09 1iud h TRP 129 CO 0.51 1.10 0.00 0.93 -3.56 0.00 0.00 178.44 177.42 1iud h GLU 130 N 0.89 0.00 0.00 0.49 3.07 -1.96 -0.73 114.58 116.34 1iud h GLU 130 Ca 0.12 0.00 -0.20 0.00 -0.50 0.00 0.00 59.36 58.79 1iud h GLU 130 Cb 0.75 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.63 1iud h GLU 130 CO 0.06 0.00 -1.01 0.93 -1.40 0.00 0.00 179.01 177.59 1iud h GLU 131 N 0.00 0.00 0.02 2.33 5.08 -1.70 -3.36 114.58 116.95 1iud h GLU 131 Ca 0.00 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.39 1iud h GLU 131 Cb 0.03 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.23 1iud h GLU 131 CO 0.00 0.82 -0.37 0.82 -1.00 0.00 0.00 179.01 179.28 1iud h ILE 132 N 0.00 0.23 -0.20 3.13 2.04 -1.18 -0.48 117.51 121.05 1iud h ILE 132 Ca -0.05 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.72 1iud h ILE 132 Cb 1.72 0.23 -0.00 0.00 -0.74 0.00 0.00 36.82 38.02 1iud h ILE 132 CO 0.11 0.00 -0.23 1.55 0.00 0.00 0.00 178.15 179.58 1iud h PRO 133 N -0.54 0.51 -4.20 2.37 0.13 -1.75 -3.40 132.00 125.12 1iud h PRO 133 Ca 0.05 -0.28 -0.65 0.00 -0.87 0.00 0.00 66.00 64.25 1iud h PRO 133 Cb 0.61 0.02 -0.40 0.00 0.13 0.00 0.00 31.00 31.36 1iud h PRO 133 CO -0.28 0.87 -0.68 0.34 -0.23 0.00 0.00 178.00 178.01 1iud s ASP 130 N -6.34 4.61 0.47 1.44 2.15 -1.16 -5.01 116.67 112.83 1iud s ASP 130 Ca -0.13 -2.48 0.25 0.00 0.43 0.00 0.00 52.55 50.62 1iud s ASP 130 Cb 0.07 -1.64 1.16 0.00 -0.30 0.00 0.00 42.92 42.21 1iud s ASP 130 CO 0.79 -0.33 1.95 1.55 -0.17 0.00 0.00 175.17 178.96 1iud h PRO 131 N 7.21 0.00 -4.80 4.34 0.13 -1.30 -3.38 132.00 134.20 1iud h PRO 131 Ca -0.06 0.00 -0.39 0.00 -0.87 0.00 0.00 66.00 64.68 1iud h PRO 131 Cb 0.97 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.11 1iud h PRO 131 CO 0.59 0.19 -0.58 1.04 -0.23 0.00 0.00 178.00 179.00 1iud n GLN 132 N -3.57 -4.34 -3.23 0.86 1.13 -1.26 -4.96 117.38 102.01 1iud n GLN 132 Ca -0.01 0.76 -0.01 0.00 -1.94 0.00 0.00 57.00 55.80 1iud n GLN 132 Cb 0.34 -5.56 -0.04 0.00 0.11 0.00 0.00 30.24 25.09 1iud n GLN 132 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1iud s ASP 133 N -2.70 -0.76 0.49 1.08 -1.08 -1.26 -5.03 116.67 107.40 1iud s ASP 133 Ca 0.33 0.55 0.31 0.00 -0.52 0.00 0.00 52.55 53.22 1iud s ASP 133 Cb -0.16 1.75 1.68 0.00 -1.46 0.00 0.00 42.92 44.73 1iud s ASP 133 CO 0.41 -0.28 1.94 1.55 0.52 0.00 0.00 175.17 179.30 1iud h PRO 134 N 8.07 0.00 -0.17 4.34 0.13 -2.01 -0.51 132.00 141.85 1iud h PRO 134 Ca -0.20 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.83 1iud h PRO 134 Cb 1.16 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 1iud h PRO 134 CO 0.26 0.00 -0.33 0.00 -0.23 0.00 0.00 178.00 177.69 1iud h ARG 135 N 0.00 0.34 0.05 0.86 3.08 -2.00 -3.30 114.38 113.41 1iud h ARG 135 Ca 0.00 -0.14 -0.33 0.00 0.07 0.00 0.00 59.98 59.58 1iud h ARG 135 Cb 0.10 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.10 1iud h ARG 135 CO 0.00 0.64 -1.87 1.33 -1.07 0.00 0.00 179.97 179.00 1iud n VAL 136 N -4.08 1.68 -0.33 2.04 0.24 -0.21 -4.29 118.33 113.38 1iud n VAL 136 Ca -0.01 -0.73 0.22 0.00 -2.04 0.00 0.00 64.34 61.77 1iud n VAL 136 Cb 0.44 -1.33 0.44 0.00 -1.47 0.00 0.00 33.84 31.92 1iud n VAL 136 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1iud h ARG 137 N 0.03 0.30 0.00 7.34 3.08 -1.61 0.96 114.38 124.48 1iud h ARG 137 Ca -0.36 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.67 1iud h ARG 137 Cb 2.03 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 32.01 1iud h ARG 137 CO 0.08 0.20 0.00 0.78 -1.07 0.00 0.00 179.97 179.96 1iud h GLY 138 N 0.31 0.00 0.00 0.04 0.00 -1.75 -3.12 103.07 98.54 1iud h GLY 138 Ca 0.70 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.98 1iud h GLY 138 CO -0.62 0.00 -0.31 -2.00 0.00 0.00 0.00 176.54 173.61 1iud h LEU 139 N 0.00 0.00 -8.41 3.11 5.85 0.73 -3.47 115.31 113.11 1iud h LEU 139 Ca 0.00 -0.78 -0.49 0.00 0.84 0.00 0.00 57.88 57.44 1iud h LEU 139 Cb 0.43 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.41 1iud h LEU 139 CO 0.00 1.07 1.23 -0.31 -0.34 0.00 0.00 178.44 180.09 1iud s TYR 140 N -2.20 1.86 0.00 1.25 2.02 -0.85 -4.82 117.35 114.61 1iud s TYR 140 Ca -0.20 0.50 0.00 0.00 -0.37 0.00 0.00 57.07 57.00 1iud s TYR 140 Cb -0.01 -4.24 0.00 0.00 -0.40 0.00 0.00 41.96 37.31 1iud s TYR 140 CO 0.60 -2.18 0.00 1.63 -1.57 0.00 0.00 175.55 174.03 1iud n LYS 144 N 9.19 0.00 -3.48 -0.62 5.02 -1.26 -5.03 118.16 121.98 1iud n LYS 144 Ca 0.19 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 56.16 1iud n LYS 144 Cb 0.51 -0.43 -0.05 0.00 -0.02 0.00 0.00 35.03 35.03 1iud n LYS 144 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1iud s SER 145 N -4.32 6.58 -0.07 4.39 1.04 -1.02 -4.97 113.70 115.33 1iud s SER 145 Ca 0.00 0.82 -0.12 0.00 0.48 0.00 0.00 55.95 57.14 1iud s SER 145 Cb 0.00 -2.19 -0.29 0.00 0.10 0.00 0.00 66.02 63.64 1iud s SER 145 CO 0.00 -0.05 0.60 0.00 0.98 0.00 0.00 173.24 174.77 1iud h ALA 146 N 2.57 0.19 -3.45 5.32 0.00 -1.90 -0.46 119.26 121.53 1iud h ALA 146 Ca -0.47 -1.16 -0.25 0.00 0.00 0.00 0.00 54.91 53.03 1iud h ALA 146 Cb 1.17 0.49 -0.31 0.00 0.00 0.00 0.00 17.79 19.14 1iud h ALA 146 CO 0.70 1.00 -0.66 -1.17 0.00 0.00 0.00 179.25 179.12 1iud s LEU 147 N -7.34 1.16 -0.06 0.00 2.96 -1.25 -0.10 118.68 114.05 1iud s LEU 147 Ca -0.18 0.15 -0.02 0.00 -0.22 0.00 0.00 54.13 53.86 1iud s LEU 147 Cb 0.05 0.16 0.04 0.00 0.50 0.00 0.00 46.19 46.94 1iud s LEU 147 CO 0.82 -0.10 0.10 -0.04 -1.32 0.00 0.00 176.35 175.81 1iud s MET 148 N 0.79 -0.00 0.18 1.98 -1.94 0.13 -4.92 119.30 115.52 1iud s MET 148 Ca -0.06 0.40 -0.09 0.00 -1.71 0.00 0.00 55.69 54.22 1iud s MET 148 Cb -0.09 -0.31 -0.01 0.00 2.01 0.00 0.00 34.83 36.43 1iud s MET 148 CO -0.03 -0.26 0.31 -0.59 -0.01 0.00 0.00 175.02 174.44 1iud s PHE 149 N 1.79 0.42 0.01 -0.03 -0.71 -1.26 -4.08 117.98 114.10 1iud s PHE 149 Ca -0.01 -0.77 -0.30 0.00 -1.04 0.00 0.00 56.93 54.81 1iud s PHE 149 Cb -0.12 -0.03 -0.07 0.00 -1.21 0.00 0.00 43.02 41.58 1iud s PHE 149 CO -0.04 -0.76 1.76 1.21 -1.34 0.00 0.00 175.22 176.05 1iud s ASN 150 N -2.98 6.57 0.00 1.98 2.47 -1.26 -4.62 114.94 117.11 1iud s ASN 150 Ca 0.19 2.45 0.22 0.00 0.42 0.00 0.00 52.86 56.14 1iud s ASN 150 Cb 0.03 -2.54 -0.02 0.00 -1.45 0.00 0.00 41.25 37.27 1iud s ASN 150 CO 0.02 -0.96 1.07 0.18 -3.72 0.00 0.00 177.10 173.69 1iud n LEU 151 N 6.90 1.79 0.07 3.21 4.77 0.06 -4.39 117.00 129.42 1iud n LEU 151 Ca 0.18 -0.69 -0.12 0.00 -0.03 0.00 0.00 56.01 55.35 1iud n LEU 151 Cb 0.42 -0.01 -0.13 0.00 -2.33 0.00 0.00 43.42 41.37 1iud n LEU 151 CO 0.64 0.35 -0.06 1.56 -1.33 0.00 0.00 177.39 178.55 1iud h GLN 152 N 1.92 0.14 -5.38 3.23 1.08 -1.88 -3.45 115.11 110.76 1iud h GLN 152 Ca 0.00 -0.23 -0.60 0.00 -1.45 0.00 0.00 58.65 56.36 1iud h GLN 152 Cb 0.70 0.09 -0.12 0.00 -0.05 0.00 0.00 27.48 28.10 1iud h GLN 152 CO 0.00 1.06 -0.27 -1.21 -0.95 0.00 0.00 178.83 177.46 1iud s GLU 153 N -2.67 4.17 0.57 1.46 0.41 -1.26 -4.96 118.70 116.43 1iud s GLU 153 Ca -0.03 0.11 0.37 0.00 -0.41 0.00 0.00 54.97 55.02 1iud s GLU 153 Cb 0.08 -3.52 1.83 0.00 -1.78 0.00 0.00 34.13 30.74 1iud s GLU 153 CO 0.85 0.02 2.13 -1.00 -0.49 0.00 0.00 175.26 176.76 1iud h PRO 154 N 7.28 0.00 0.00 0.39 0.13 -1.90 -2.33 132.00 135.57 1iud h PRO 154 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1iud h PRO 154 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1iud h PRO 154 CO 0.71 0.00 0.10 -0.92 -0.23 0.00 0.00 178.00 177.66 1iud h TYR 155 N 0.00 0.00 0.00 1.56 3.20 -1.95 -0.37 116.97 119.41 1iud h TYR 155 Ca 0.00 0.00 -0.25 0.00 3.14 0.00 0.00 58.73 61.62 1iud h TYR 155 Cb 0.23 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.46 1iud h TYR 155 CO 0.00 0.00 -1.70 1.19 -1.64 0.00 0.00 178.16 176.01 1iud n PHE 156 N -2.85 0.84 0.05 -3.82 3.72 -0.88 -4.14 117.46 110.39 1iud n PHE 156 Ca -0.02 0.29 0.06 0.00 -0.05 0.00 0.00 57.45 57.73 1iud n PHE 156 Cb 0.15 -1.11 -0.06 0.00 -0.94 0.00 0.00 39.48 37.52 1iud n PHE 156 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 1iud n THR 157 N -2.93 0.79 -0.13 4.37 -1.04 -0.71 -4.53 114.28 110.11 1iud n THR 157 Ca -0.16 -0.61 -0.14 0.00 -2.04 0.00 0.00 64.05 61.10 1iud n THR 157 Cb 0.97 -0.45 -0.10 0.00 -1.82 0.00 0.00 70.33 68.94 1iud n THR 157 CO 0.00 0.00 0.00 -0.25 -0.64 0.00 0.00 175.07 174.18 1iud h TRP 158 N 0.00 -1.69 -1.23 -1.42 2.91 -1.26 -0.60 115.95 112.66 1iud h TRP 158 Ca -0.09 0.08 0.36 0.00 1.13 0.00 0.00 58.89 60.37 1iud h TRP 158 Cb 1.27 0.79 -0.09 0.00 -0.51 0.00 0.00 29.16 30.62 1iud h TRP 158 CO 0.00 -0.50 0.83 -1.00 -1.03 0.00 0.00 178.44 176.75 1iud h PRO 159 N -0.41 0.16 0.35 2.65 0.13 -1.79 0.54 132.00 133.63 1iud h PRO 159 Ca 0.07 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 65.17 1iud h PRO 159 Cb 0.60 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.70 1iud h PRO 159 CO -0.58 0.10 -0.17 1.25 -0.23 0.00 0.00 178.00 178.37 1iud h LEU 160 N 0.16 -0.40 -0.48 1.56 6.46 -1.42 0.46 115.31 121.65 1iud h LEU 160 Ca 0.67 -0.14 0.08 0.00 -0.12 0.00 0.00 57.88 58.38 1iud h LEU 160 Cb 2.19 0.10 -0.07 0.00 -0.73 0.00 0.00 40.66 42.16 1iud h LEU 160 CO -0.21 0.04 0.07 0.40 -0.62 0.00 0.00 178.44 178.12 1iud h ILE 161 N -0.98 0.70 0.05 4.05 2.04 -0.14 -2.50 117.51 120.73 1iud h ILE 161 Ca -0.05 -0.07 -0.00 0.00 1.00 0.00 0.00 64.86 65.74 1iud h ILE 161 Cb 0.51 0.49 -0.00 0.00 -0.74 0.00 0.00 36.82 37.08 1iud h ILE 161 CO 0.08 0.04 -0.03 0.00 0.00 0.00 0.00 178.15 178.24 1iud h ALA 162 N 1.39 -0.07 0.00 1.87 0.00 -0.11 -3.12 119.26 119.21 1iud h ALA 162 Ca 0.24 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1iud h ALA 162 Cb 0.33 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1iud h ALA 162 CO -0.34 -0.54 0.00 0.00 0.00 0.00 0.00 179.25 178.37 1iud n ALA 163 N -2.14 0.00 -0.02 0.00 0.00 0.15 0.53 120.51 119.03 1iud n ALA 163 Ca -0.07 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.42 1iud n ALA 163 Cb 0.06 0.00 0.24 0.00 0.00 0.00 0.00 19.45 19.75 1iud n ALA 163 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1iud n ASP 164 N -2.11 3.62 0.00 0.00 2.03 -1.26 -4.68 116.55 114.15 1iud n ASP 164 Ca 0.00 -2.46 0.00 0.00 0.52 0.00 0.00 54.79 52.85 1iud n ASP 164 Cb 0.00 -0.55 0.00 0.00 -0.72 0.00 0.00 41.12 39.85 1iud n ASP 164 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1iud n GLY 165 N 0.56 1.42 3.88 0.27 0.00 0.19 -4.21 105.19 107.29 1iud n GLY 165 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 1iud n GLY 165 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1iud s GLY 166 N -1.84 1.64 -0.06 -0.02 0.00 -0.92 -4.57 107.32 101.54 1iud s GLY 166 Ca 0.00 -0.25 -0.29 0.00 0.00 0.00 0.00 44.72 44.17 1iud s GLY 166 CO 0.00 0.06 0.82 -2.52 0.00 0.00 0.00 173.10 171.46 1iud s TYR 167 N -3.25 -0.49 0.00 1.90 -0.85 -0.11 -4.60 117.35 109.95 1iud s TYR 167 Ca 0.56 0.72 0.00 0.00 -0.52 0.00 0.00 57.07 57.83 1iud s TYR 167 Cb -0.11 0.46 0.00 0.00 0.38 0.00 0.00 41.96 42.69 1iud s TYR 167 CO 0.52 -0.53 0.00 0.00 -1.52 0.00 0.00 175.55 174.02 1iud n ALA 168 N 0.52 0.00 -2.79 9.51 0.00 -1.26 -1.61 120.51 124.88 1iud n ALA 168 Ca -0.14 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 52.94 1iud n ALA 168 Cb 0.59 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.94 1iud n ALA 168 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1iud s PHE 169 N 0.00 3.24 0.00 0.00 0.08 -1.26 -2.33 117.98 117.71 1iud s PHE 169 Ca 0.00 0.04 -0.35 0.00 0.12 0.00 0.00 56.93 56.74 1iud s PHE 169 Cb 0.00 -2.20 -0.14 0.00 -0.57 0.00 0.00 43.02 40.11 1iud s PHE 169 CO 0.00 0.00 1.69 1.17 -0.10 0.00 0.00 175.22 177.98 1iud n LYS 170 N 4.18 1.92 -3.08 0.44 3.00 -1.06 -4.78 118.16 118.79 1iud n LYS 170 Ca -0.16 0.70 -0.44 0.00 -0.00 0.00 0.00 58.31 58.42 1iud n LYS 170 Cb 0.52 -2.47 -0.06 0.00 0.00 0.00 0.00 35.03 33.02 1iud n LYS 170 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.40 176.93 1iud s TYR 171 N 2.41 2.98 -0.98 5.64 5.04 -1.26 0.25 117.35 131.42 1iud s TYR 171 Ca 0.87 -0.46 -0.09 0.00 -2.44 0.00 0.00 57.07 54.95 1iud s TYR 171 Cb -0.76 -3.71 0.25 0.00 0.35 0.00 0.00 41.96 38.08 1iud s TYR 171 CO 0.48 -1.14 0.94 -2.00 -1.34 0.00 0.00 175.55 172.48 1iud s GLU 172 N 2.96 3.83 -0.08 4.97 2.56 0.66 -4.89 118.70 128.70 1iud s GLU 172 Ca 0.18 -3.01 -0.07 0.00 0.00 0.00 0.00 54.97 52.07 1iud s GLU 172 Cb -0.18 -4.39 0.01 0.00 2.00 0.00 0.00 34.13 31.57 1iud s GLU 172 CO 0.13 -1.25 0.12 0.27 -0.56 0.00 0.00 175.26 173.97 1iud n ASN 173 N 2.99 -1.54 0.00 -1.70 6.94 -1.26 -1.67 115.26 119.03 1iud n ASN 173 Ca 0.20 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.76 1iud n ASN 173 Cb 0.41 -0.42 0.00 0.00 -2.36 0.00 0.00 39.78 37.41 1iud n ASN 173 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1iud n GLY 174 N 0.19 2.62 3.29 4.83 0.00 -1.26 -5.03 105.19 109.82 1iud n GLY 174 Ca -0.02 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.83 1iud n GLY 174 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iud s LYS 175 N -0.05 1.15 -0.22 1.61 1.02 -0.67 -5.13 119.74 117.46 1iud s LYS 175 Ca 0.00 -1.42 -0.01 0.00 0.02 0.00 0.00 55.97 54.56 1iud s LYS 175 Cb 0.00 -0.94 0.02 0.00 -0.52 0.00 0.00 37.83 36.38 1iud s LYS 175 CO 0.00 0.16 -0.11 0.71 -0.92 0.00 0.00 175.35 175.19 1iud s TYR 176 N -2.69 2.94 -0.78 3.18 2.02 -1.26 0.24 117.35 121.01 1iud s TYR 176 Ca 0.16 -1.47 -0.25 0.00 -0.37 0.00 0.00 57.07 55.14 1iud s TYR 176 Cb -0.02 -2.01 -0.02 0.00 -0.40 0.00 0.00 41.96 39.51 1iud s TYR 176 CO 0.04 -0.72 1.79 0.34 -1.57 0.00 0.00 175.55 175.43 1iud s ASP 177 N 1.34 5.43 0.00 2.29 2.15 0.14 -4.79 116.67 123.23 1iud s ASP 177 Ca 0.03 -0.31 0.00 0.00 0.43 0.00 0.00 52.55 52.70 1iud s ASP 177 Cb -0.15 -2.55 0.01 0.00 -0.30 0.00 0.00 42.92 39.93 1iud s ASP 177 CO -0.07 -2.38 0.13 2.30 -0.17 0.00 0.00 175.17 174.98 1iud n ILE 178 N 7.35 0.00 0.03 4.11 -5.35 -1.26 -1.04 119.36 123.20 1iud n ILE 178 Ca 0.27 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.76 1iud n ILE 178 Cb 0.50 -0.48 0.00 0.00 -1.74 0.00 0.00 39.64 37.92 1iud n ILE 178 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1iud n LYS 179 N -0.53 1.16 -3.20 6.28 5.02 -1.26 -4.81 118.16 120.83 1iud n LYS 179 Ca 0.00 -0.40 -0.43 0.00 -2.02 0.00 0.00 58.31 55.47 1iud n LYS 179 Cb 0.00 -0.88 -0.00 0.00 -0.02 0.00 0.00 35.03 34.12 1iud n LYS 179 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1iud n ASP 180 N -0.24 5.83 -4.61 4.39 2.03 -0.21 -5.01 116.55 118.72 1iud n ASP 180 Ca 0.00 -3.25 -0.42 0.00 0.52 0.00 0.00 54.79 51.65 1iud n ASP 180 Cb 0.02 -1.28 -0.05 0.00 -0.72 0.00 0.00 41.12 39.09 1iud n ASP 180 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1iud s VAL 181 N -2.10 4.85 -0.69 5.18 1.01 -1.26 -2.56 120.40 124.83 1iud s VAL 181 Ca 0.31 1.15 -0.02 0.00 0.00 0.00 0.00 61.98 63.42 1iud s VAL 181 Cb -0.01 -4.09 0.36 0.00 0.00 0.00 0.00 36.38 32.63 1iud s VAL 181 CO 0.01 -0.18 2.10 0.61 0.00 0.00 0.00 175.10 177.64 1iud n GLY 182 N 4.19 5.46 0.08 4.51 0.00 -0.64 -4.47 105.19 114.32 1iud n GLY 182 Ca 0.02 -2.24 -0.07 0.00 0.00 0.00 0.00 46.02 43.73 1iud n GLY 182 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1iud h VAL 183 N 1.48 1.10 -3.54 1.61 2.07 -1.79 -0.25 116.25 116.92 1iud h VAL 183 Ca 0.55 -2.87 -0.65 0.00 0.82 0.00 0.00 66.70 64.55 1iud h VAL 183 Cb 0.50 2.53 -0.40 0.00 -1.52 0.00 0.00 31.29 32.39 1iud h VAL 183 CO 1.41 0.63 -0.68 1.51 0.02 0.00 0.00 177.57 180.46 1iud s ASP 184 N -6.28 4.56 0.13 0.57 -4.77 -1.26 -4.70 116.67 104.92 1iud s ASP 184 Ca -0.02 -2.56 -0.25 0.00 -3.30 0.00 0.00 52.55 46.41 1iud s ASP 184 Cb 0.09 -1.64 0.07 0.00 -1.09 0.00 0.00 42.92 40.35 1iud s ASP 184 CO 0.82 -0.31 0.83 0.54 0.70 0.00 0.00 175.17 177.75 1iud s ASN 185 N 0.34 -0.32 0.18 2.11 2.20 -1.26 -5.02 114.94 113.18 1iud s ASN 185 Ca 0.14 -0.25 -0.26 0.00 -0.94 0.00 0.00 52.86 51.55 1iud s ASN 185 Cb -0.22 0.52 0.04 0.00 -2.00 0.00 0.00 41.25 39.58 1iud s ASN 185 CO -0.04 -0.91 1.55 0.00 -2.94 0.00 0.00 177.10 174.76 1iud h ALA 186 N 2.00 -0.31 -0.64 3.54 0.00 -1.96 0.16 119.26 122.05 1iud h ALA 186 Ca -0.24 0.17 0.13 0.00 0.00 0.00 0.00 54.91 54.96 1iud h ALA 186 Cb 1.25 1.22 -0.12 0.00 0.00 0.00 0.00 17.79 20.14 1iud h ALA 186 CO 0.29 -0.85 -0.12 0.78 0.00 0.00 0.00 179.25 179.35 1iud h GLY 187 N -0.03 0.52 0.92 0.00 0.00 -1.82 0.38 103.07 103.04 1iud h GLY 187 Ca 0.22 0.18 -0.12 0.00 0.00 0.00 0.00 47.33 47.61 1iud h GLY 187 CO -0.92 -0.24 -0.32 0.00 0.00 0.00 0.00 176.54 175.06 1iud h ALA 188 N 1.63 0.34 -0.42 3.60 0.00 -1.29 -2.51 119.26 120.61 1iud h ALA 188 Ca 0.32 -0.41 0.04 0.00 0.00 0.00 0.00 54.91 54.85 1iud h ALA 188 Cb 0.50 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 1iud h ALA 188 CO -0.64 0.37 0.19 0.87 0.00 0.00 0.00 179.25 180.04 1iud h LYS 189 N 0.30 0.37 -0.49 0.00 1.57 0.72 -0.71 116.57 118.34 1iud h LYS 189 Ca 0.02 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1iud h LYS 189 Cb 0.90 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.10 1iud h LYS 189 CO 0.07 0.24 0.18 0.00 -0.57 0.00 0.00 179.45 179.38 1iud h ALA 190 N 1.25 1.41 -0.02 3.86 0.00 -0.29 0.81 119.26 126.27 1iud h ALA 190 Ca 0.19 -0.14 -0.17 0.00 0.00 0.00 0.00 54.91 54.79 1iud h ALA 190 Cb 0.13 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 17.73 1iud h ALA 190 CO -0.16 0.44 -0.65 0.78 0.00 0.00 0.00 179.25 179.67 1iud h GLY 191 N 0.85 0.54 0.94 0.00 0.00 -0.93 -2.98 103.07 101.48 1iud h GLY 191 Ca 0.17 -0.90 -0.09 0.00 0.00 0.00 0.00 47.33 46.51 1iud h GLY 191 CO -0.01 0.79 -0.16 -2.00 0.00 0.00 0.00 176.54 175.16 1iud h LEU 192 N 0.03 0.69 -0.82 3.11 5.85 -0.90 -2.37 115.31 120.91 1iud h LEU 192 Ca -0.07 -0.41 0.13 0.00 0.84 0.00 0.00 57.88 58.36 1iud h LEU 192 Cb 1.34 -0.19 -0.09 0.00 0.37 0.00 0.00 40.66 42.09 1iud h LEU 192 CO 0.13 0.95 0.42 0.74 -0.34 0.00 0.00 178.44 180.34 1iud h THR 193 N 0.44 0.77 0.36 1.05 2.02 -0.92 0.87 112.91 117.49 1iud h THR 193 Ca 0.07 -0.22 -0.02 0.00 0.77 0.00 0.00 66.41 67.01 1iud h THR 193 Cb 0.69 0.08 0.00 0.00 -1.74 0.00 0.00 68.15 67.19 1iud h THR 193 CO 0.05 0.12 -0.17 0.15 0.37 0.00 0.00 175.52 176.03 1iud h PHE 194 N 0.64 -0.45 -0.91 3.16 3.57 -1.34 -1.09 116.94 120.52 1iud h PHE 194 Ca 0.43 -0.01 0.20 0.00 3.53 0.00 0.00 57.97 62.12 1iud h PHE 194 Cb 0.56 0.15 -0.07 0.00 2.79 0.00 0.00 35.95 39.38 1iud h PHE 194 CO -0.09 -0.26 0.60 1.25 -2.23 0.00 0.00 178.31 177.57 1iud h LEU 195 N -0.52 0.46 -0.64 0.59 6.46 -0.59 0.10 115.31 121.17 1iud h LEU 195 Ca -0.05 0.05 -0.14 0.00 -0.12 0.00 0.00 57.88 57.61 1iud h LEU 195 Cb 0.39 -0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 40.27 1iud h LEU 195 CO 0.08 0.19 -0.53 0.58 -0.62 0.00 0.00 178.44 178.14 1iud h VAL 196 N 0.46 1.34 -0.12 1.05 2.07 -0.06 -2.82 116.25 118.17 1iud h VAL 196 Ca 0.48 -1.79 -0.04 0.00 0.82 0.00 0.00 66.70 66.16 1iud h VAL 196 Cb 1.11 1.81 -0.00 0.00 -1.52 0.00 0.00 31.29 32.69 1iud h VAL 196 CO -0.20 0.54 -0.08 0.44 0.02 0.00 0.00 177.57 178.30 1iud h ASP 197 N 0.31 0.28 -0.89 0.57 5.19 0.36 0.23 116.42 122.47 1iud h ASP 197 Ca 0.01 -0.44 0.24 0.00 -0.62 0.00 0.00 57.03 56.22 1iud h ASP 197 Cb 1.03 -0.08 -0.15 0.00 0.18 0.00 0.00 39.33 40.31 1iud h ASP 197 CO 0.09 0.66 0.13 -0.07 -3.12 0.00 0.00 179.24 176.93 1iud h LEU 198 N -0.09 -0.22 0.14 1.55 4.07 -1.05 0.56 115.31 120.28 1iud h LEU 198 Ca 0.03 0.22 -0.01 0.00 0.08 0.00 0.00 57.88 58.20 1iud h LEU 198 Cb 0.56 0.35 0.00 0.00 1.08 0.00 0.00 40.66 42.66 1iud h LEU 198 CO 0.02 -0.23 -0.07 0.40 -1.08 0.00 0.00 178.44 177.48 1iud h ILE 199 N 0.12 0.00 0.00 1.22 2.04 -1.21 0.71 117.51 120.39 1iud h ILE 199 Ca 0.54 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 66.18 1iud h ILE 199 Cb 1.09 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.17 1iud h ILE 199 CO -0.74 0.00 0.08 0.29 0.00 0.00 0.00 178.15 177.78 1iud n LYS 200 N -3.13 0.07 -1.02 2.37 5.02 0.76 0.10 118.16 122.34 1iud n LYS 200 Ca -0.02 0.54 -0.11 0.00 -2.02 0.00 0.00 58.31 56.69 1iud n LYS 200 Cb 0.07 -1.80 0.24 0.00 -0.02 0.00 0.00 35.03 33.52 1iud n LYS 200 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1iud n ASN 201 N -1.85 4.00 0.00 4.39 4.05 0.19 -4.91 115.26 121.13 1iud n ASN 201 Ca -0.01 -3.44 0.00 0.00 0.45 0.00 0.00 54.58 51.58 1iud n ASN 201 Cb 0.10 -0.75 0.00 0.00 1.23 0.00 0.00 39.78 40.36 1iud n ASN 201 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 1iud n LYS 202 N -0.69 0.00 0.15 1.20 5.02 0.12 -4.77 118.16 119.18 1iud n LYS 202 Ca 0.45 0.00 -0.00 0.00 -2.02 0.00 0.00 58.31 56.73 1iud n LYS 202 Cb 1.39 -4.32 0.23 0.00 -0.02 0.00 0.00 35.03 32.31 1iud n LYS 202 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1iud h HIS 203 N 0.00 0.04 -3.99 2.13 3.86 0.27 -3.45 115.15 114.00 1iud h HIS 203 Ca 0.00 -0.01 -0.20 0.00 -1.16 0.00 0.00 60.37 59.00 1iud h HIS 203 Cb 0.00 -0.01 -0.20 0.00 1.06 0.00 0.00 27.41 28.26 1iud h HIS 203 CO 0.00 0.55 -0.71 -1.64 0.86 0.00 0.00 177.93 176.99 1iud s MET 204 N -3.84 0.45 -0.21 2.45 -1.94 -0.24 -4.80 119.30 111.16 1iud s MET 204 Ca -0.02 -0.77 -0.08 0.00 -1.71 0.00 0.00 55.69 53.11 1iud s MET 204 Cb 0.13 -0.03 -0.04 0.00 2.01 0.00 0.00 34.83 36.90 1iud s MET 204 CO 0.75 -0.02 0.09 0.54 -0.01 0.00 0.00 175.02 176.38 1iud s ASN 205 N -1.75 5.67 0.59 3.03 4.22 -1.26 -4.11 114.94 121.32 1iud s ASN 205 Ca -0.10 0.03 0.28 0.00 -2.14 0.00 0.00 52.86 50.93 1iud s ASN 205 Cb -0.07 -2.00 1.59 0.00 1.28 0.00 0.00 41.25 42.05 1iud s ASN 205 CO -0.02 0.10 2.03 0.00 -2.04 0.00 0.00 177.10 177.17 1iud h ALA 206 N 7.28 1.94 -0.33 3.54 0.00 -1.94 -2.46 119.26 127.29 1iud h ALA 206 Ca -0.37 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 1iud h ALA 206 Cb 1.17 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1iud h ALA 206 CO 0.66 -0.43 0.02 -0.25 0.00 0.00 0.00 179.25 179.24 1iud n ASP 207 N -3.79 3.65 -4.70 0.00 8.00 -1.26 -4.87 116.55 113.58 1iud n ASP 207 Ca 0.04 -2.54 -0.42 0.00 0.71 0.00 0.00 54.79 52.58 1iud n ASP 207 Cb 0.44 -0.61 -0.03 0.00 -0.02 0.00 0.00 41.12 40.90 1iud n ASP 207 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1iud s THR 208 N -1.98 4.77 0.45 -3.53 2.01 -0.93 -4.99 115.64 111.44 1iud s THR 208 Ca 0.31 2.02 0.03 0.00 0.31 0.00 0.00 61.69 64.35 1iud s THR 208 Cb 0.23 -4.29 -0.04 0.00 0.01 0.00 0.00 72.50 68.41 1iud s THR 208 CO 0.09 0.07 0.04 1.51 -0.69 0.00 0.00 174.62 175.63 1iud s ASP 209 N 1.08 3.61 0.17 3.53 -4.77 -1.26 -0.76 116.67 118.26 1iud s ASP 209 Ca 0.50 -1.56 -0.24 0.00 -3.30 0.00 0.00 52.55 47.95 1iud s ASP 209 Cb -0.20 0.24 0.05 0.00 -1.09 0.00 0.00 42.92 41.92 1iud s ASP 209 CO 0.22 -0.75 1.59 0.22 0.70 0.00 0.00 175.17 177.15 1iud h TYR 210 N 1.62 -1.04 -0.14 2.11 5.03 -1.90 -2.64 116.97 120.02 1iud h TYR 210 Ca -0.42 0.07 0.05 0.00 2.58 0.00 0.00 58.73 61.00 1iud h TYR 210 Cb 1.28 0.52 -0.06 0.00 1.55 0.00 0.00 36.73 40.02 1iud h TYR 210 CO 1.23 -0.40 -0.30 0.77 -1.32 0.00 0.00 178.16 178.14 1iud h SER 211 N -0.26 -0.93 0.46 -2.11 0.02 -1.99 0.63 113.55 109.38 1iud h SER 211 Ca 0.17 0.14 -0.02 0.00 -0.84 0.00 0.00 61.79 61.25 1iud h SER 211 Cb 0.56 0.40 -0.01 0.00 0.14 0.00 0.00 62.40 63.49 1iud h SER 211 CO -0.59 -0.34 -0.29 0.40 -1.14 0.00 0.00 176.83 174.87 1iud h ILE 212 N -0.37 0.40 -0.81 3.27 2.04 -1.87 -1.13 117.51 119.04 1iud h ILE 212 Ca 0.10 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.08 1iud h ILE 212 Cb 0.52 0.40 -0.06 0.00 -0.74 0.00 0.00 36.82 36.94 1iud h ILE 212 CO -0.34 0.00 0.53 0.00 0.00 0.00 0.00 178.15 178.33 1iud h ALA 213 N -0.23 1.87 0.29 1.87 0.00 -1.34 0.11 119.26 121.81 1iud h ALA 213 Ca -0.05 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1iud h ALA 213 Cb 0.59 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1iud h ALA 213 CO 0.05 -0.06 -0.14 1.49 0.00 0.00 0.00 179.25 180.59 1iud h GLU 214 N 0.64 -0.37 -0.36 0.00 4.81 -0.46 -1.01 114.58 117.82 1iud h GLU 214 Ca 0.39 0.03 0.07 0.00 -0.13 0.00 0.00 59.36 59.72 1iud h GLU 214 Cb 0.62 0.08 -0.07 0.00 0.63 0.00 0.00 28.75 30.01 1iud h GLU 214 CO -0.15 -0.03 -0.11 0.00 -0.73 0.00 0.00 179.01 177.99 1iud h ALA 215 N -0.30 0.21 0.38 2.92 0.00 -0.79 0.51 119.26 122.19 1iud h ALA 215 Ca -0.04 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1iud h ALA 215 Cb 0.51 0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 1iud h ALA 215 CO 0.06 -0.48 -0.49 0.00 0.00 0.00 0.00 179.25 178.35 1iud h ALA 216 N 1.32 -1.09 -0.64 0.00 0.00 -0.75 0.26 119.26 118.35 1iud h ALA 216 Ca 0.18 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 54.97 1iud h ALA 216 Cb 0.29 0.76 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 1iud h ALA 216 CO -0.39 -1.15 0.42 0.35 0.00 0.00 0.00 179.25 178.49 1iud h PHE 217 N -0.89 0.70 -0.39 0.00 3.57 -0.92 -0.18 116.94 118.84 1iud h PHE 217 Ca -0.05 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.36 1iud h PHE 217 Cb 0.80 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.29 1iud h PHE 217 CO -0.30 0.40 -0.21 -0.91 -2.23 0.00 0.00 178.31 175.06 1iud h ASN 218 N 0.72 0.86 -0.44 0.41 2.35 -0.13 -3.02 115.58 116.33 1iud h ASN 218 Ca 0.26 -0.41 -0.11 0.00 -0.55 0.00 0.00 56.30 55.50 1iud h ASN 218 Cb 0.15 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.27 1iud h ASN 218 CO -0.08 1.08 -0.14 0.11 -1.65 0.00 0.00 177.43 176.75 1iud h LYS 219 N 0.63 0.86 0.00 0.81 1.57 0.06 -3.45 116.57 117.05 1iud h LYS 219 Ca 0.08 -0.35 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 1iud h LYS 219 Cb 0.77 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.04 1iud h LYS 219 CO 0.06 0.99 0.00 0.41 -0.57 0.00 0.00 179.45 180.34 1iud n GLY 220 N -0.16 1.96 1.50 3.86 0.00 -0.14 -5.03 105.19 107.18 1iud n GLY 220 Ca -0.01 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 1iud n GLY 220 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1iud n GLU 221 N -0.30 3.91 -3.61 1.61 0.28 -0.80 -4.87 120.64 116.86 1iud n GLU 221 Ca 0.00 -2.91 -0.15 0.00 -0.16 0.00 0.00 57.16 53.93 1iud n GLU 221 Cb 0.00 -1.96 -0.07 0.00 1.43 0.00 0.00 31.44 30.84 1iud n GLU 221 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 177.13 176.89 1iud s THR 222 N -2.23 0.00 0.03 3.84 -1.32 -1.26 -2.42 115.64 112.29 1iud s THR 222 Ca 0.49 -0.01 -0.15 0.00 -1.21 0.00 0.00 61.69 60.81 1iud s THR 222 Cb 0.34 -0.96 -0.35 0.00 -1.51 0.00 0.00 72.50 70.02 1iud s THR 222 CO 0.19 -0.01 1.01 0.00 -2.21 0.00 0.00 174.62 173.60 1iud h ALA 223 N 4.37 -0.14 -3.43 11.08 0.00 -1.14 -3.43 119.26 126.57 1iud h ALA 223 Ca -0.28 -0.87 -0.46 0.00 0.00 0.00 0.00 54.91 53.31 1iud h ALA 223 Cb 1.16 0.17 -0.21 0.00 0.00 0.00 0.00 17.79 18.90 1iud h ALA 223 CO 0.18 0.72 -0.79 -1.64 0.00 0.00 0.00 179.25 177.72 1iud s MET 224 N -2.60 0.94 0.18 0.00 -1.94 0.85 0.54 119.30 117.26 1iud s MET 224 Ca -0.09 -1.05 -0.07 0.00 -1.71 0.00 0.00 55.69 52.77 1iud s MET 224 Cb 0.04 -1.01 -0.02 0.00 2.01 0.00 0.00 34.83 35.86 1iud s MET 224 CO 0.94 0.22 0.26 -0.08 -0.01 0.00 0.00 175.02 176.35 1iud s THR 225 N -1.35 0.05 -0.15 2.05 -1.32 0.99 -0.69 115.64 115.22 1iud s THR 225 Ca 0.02 -1.55 0.00 0.00 -1.21 0.00 0.00 61.69 58.95 1iud s THR 225 Cb -0.09 -2.02 0.03 0.00 -1.51 0.00 0.00 72.50 68.91 1iud s THR 225 CO 0.03 -0.24 -0.12 -0.63 -2.21 0.00 0.00 174.62 171.46 1iud s ILE 226 N -4.01 1.43 0.20 5.08 1.01 -1.26 0.18 121.20 123.82 1iud s ILE 226 Ca 0.22 -0.60 -0.21 0.00 0.00 0.00 0.00 60.65 60.05 1iud s ILE 226 Cb 0.04 -1.40 0.05 0.00 0.01 0.00 0.00 42.46 41.16 1iud s ILE 226 CO 0.03 0.38 0.60 0.21 0.00 0.00 0.00 174.94 176.17 1iud s ASN 227 N 1.54 -0.41 0.95 3.58 3.84 -1.21 -4.71 114.94 118.51 1iud s ASN 227 Ca 0.04 -0.26 -0.13 0.00 0.21 0.00 0.00 52.86 52.72 1iud s ASN 227 Cb -0.13 0.62 0.20 0.00 -0.55 0.00 0.00 41.25 41.39 1iud s ASN 227 CO -0.10 -1.08 1.19 0.61 -2.79 0.00 0.00 177.10 174.94 1iud n GLY 228 N -0.38 -1.13 0.34 1.21 0.00 -1.26 -3.07 105.19 100.90 1iud n GLY 228 Ca -0.12 -1.76 0.17 0.00 0.00 0.00 0.00 46.02 44.31 1iud n GLY 228 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1iud h PRO 229 N 0.00 0.00 -0.06 1.61 0.11 -1.86 -2.42 132.00 129.39 1iud h PRO 229 Ca -0.39 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.70 1iud h PRO 229 Cb 1.11 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 1iud h PRO 229 CO 0.29 0.00 -0.06 0.11 -0.21 0.00 0.00 178.00 178.13 1iud h TRP 230 N 0.00 0.08 0.00 0.65 0.09 -1.88 -3.00 115.95 111.89 1iud h TRP 230 Ca 0.10 -0.00 -0.08 0.00 0.09 0.00 0.00 58.89 58.99 1iud h TRP 230 Cb 0.52 -0.03 -0.01 0.00 0.08 0.00 0.00 29.16 29.72 1iud h TRP 230 CO 0.00 0.14 -0.37 0.00 0.09 0.00 0.00 178.44 178.30 1iud h ALA 231 N 1.87 1.34 -0.85 0.11 0.00 -1.76 -3.26 119.26 116.71 1iud h ALA 231 Ca 0.02 -0.34 0.20 0.00 0.00 0.00 0.00 54.91 54.79 1iud h ALA 231 Cb 0.16 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.83 1iud h ALA 231 CO 0.01 0.47 0.57 -1.49 0.00 0.00 0.00 179.25 178.81 1iud h TRP 232 N 0.00 0.42 0.09 0.00 6.55 -1.71 -2.94 115.95 118.35 1iud h TRP 232 Ca -0.00 0.01 0.01 0.00 0.95 0.00 0.00 58.89 59.86 1iud h TRP 232 Cb 0.68 -0.13 -0.02 0.00 -0.86 0.00 0.00 29.16 28.83 1iud h TRP 232 CO 0.00 0.12 -0.15 0.66 -1.05 0.00 0.00 178.44 178.02 1iud h SER 233 N 0.33 -0.42 0.29 -3.49 4.64 -1.79 -1.62 113.55 111.49 1iud h SER 233 Ca 0.43 0.05 -0.09 0.00 -0.47 0.00 0.00 61.79 61.71 1iud h SER 233 Cb 1.17 0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 63.40 1iud h SER 233 CO -0.13 -0.22 -0.36 0.78 -0.87 0.00 0.00 176.83 176.03 1iud h ASN 234 N -0.30 0.12 -0.35 4.97 -0.26 -1.77 -2.71 115.58 115.27 1iud h ASN 234 Ca 0.02 -0.04 -0.07 0.00 -0.56 0.00 0.00 56.30 55.66 1iud h ASN 234 Cb 0.32 -0.03 -0.01 0.00 -1.06 0.00 0.00 38.32 37.53 1iud h ASN 234 CO -0.09 0.47 -0.04 0.40 -1.06 0.00 0.00 177.43 177.12 1iud h ILE 235 N 0.10 1.27 -0.65 2.81 2.04 -1.50 -2.13 117.51 119.45 1iud h ILE 235 Ca 0.01 -1.05 0.07 0.00 1.00 0.00 0.00 64.86 64.88 1iud h ILE 235 Cb 0.69 1.25 -0.04 0.00 -0.74 0.00 0.00 36.82 37.98 1iud h ILE 235 CO 0.05 0.35 0.43 0.44 0.00 0.00 0.00 178.15 179.42 1iud h ASP 236 N 0.44 0.55 -1.50 1.72 5.19 -1.06 -1.09 116.42 120.68 1iud h ASP 236 Ca 0.09 0.00 -0.71 0.00 -0.62 0.00 0.00 57.03 55.80 1iud h ASP 236 Cb 0.52 -0.12 -0.30 0.00 0.18 0.00 0.00 39.33 39.61 1iud h ASP 236 CO 0.03 0.36 0.78 0.35 -3.12 0.00 0.00 179.24 177.64 1iud n THR 237 N -4.48 3.48 -0.40 0.35 -2.24 -0.85 -3.22 114.28 106.92 1iud n THR 237 Ca 0.09 -3.78 0.00 0.00 -2.27 0.00 0.00 64.05 58.09 1iud n THR 237 Cb 0.25 -1.20 0.00 0.00 -2.10 0.00 0.00 70.33 67.27 1iud n THR 237 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1iud n SER 238 N -0.70 0.00 -0.89 3.42 2.88 -0.44 -4.91 113.62 112.97 1iud n SER 238 Ca 0.56 -0.30 -0.12 0.00 -1.33 0.00 0.00 58.87 57.69 1iud n SER 238 Cb 0.47 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.88 1iud n SER 238 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1iud n LYS 239 N 0.00 -1.29 -2.73 -1.46 4.81 -1.04 -4.96 118.16 111.50 1iud n LYS 239 Ca 0.00 0.88 -0.37 0.00 -0.87 0.00 0.00 58.31 57.95 1iud n LYS 239 Cb 0.07 -5.09 -0.06 0.00 0.02 0.00 0.00 35.03 29.98 1iud n LYS 239 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1iud s VAL 240 N -2.19 4.08 -0.39 3.15 1.01 -1.21 -5.02 120.40 119.84 1iud s VAL 240 Ca 0.00 1.75 -0.17 0.00 0.00 0.00 0.00 61.98 63.56 1iud s VAL 240 Cb 0.00 -3.98 0.01 0.00 0.00 0.00 0.00 36.38 32.40 1iud s VAL 240 CO 0.00 0.16 0.46 0.21 0.00 0.00 0.00 175.10 175.94 1iud s ASN 241 N -1.53 6.24 0.12 3.32 3.84 -1.26 -4.82 114.94 120.85 1iud s ASN 241 Ca 0.50 -0.36 0.01 0.00 0.21 0.00 0.00 52.86 53.22 1iud s ASN 241 Cb -0.20 -2.24 -0.04 0.00 -0.55 0.00 0.00 41.25 38.21 1iud s ASN 241 CO 0.26 -0.52 -0.03 -0.72 -2.79 0.00 0.00 177.10 173.30 1iud s TYR 242 N 2.26 0.96 0.07 0.43 1.13 -1.26 -1.50 117.35 119.44 1iud s TYR 242 Ca 0.15 -1.00 0.05 0.00 -1.41 0.00 0.00 57.07 54.86 1iud s TYR 242 Cb -0.16 -0.56 -0.03 0.00 -1.10 0.00 0.00 41.96 40.11 1iud s TYR 242 CO 0.14 -0.23 -0.13 0.20 -2.51 0.00 0.00 175.55 173.01 1iud s GLY 243 N -3.08 0.83 -0.23 5.49 0.00 -0.08 -4.84 107.32 105.40 1iud s GLY 243 Ca 0.17 -0.98 -0.02 0.00 0.00 0.00 0.00 44.72 43.89 1iud s GLY 243 CO -0.02 -1.01 -0.07 0.14 0.00 0.00 0.00 173.10 172.15 1iud s VAL 244 N -1.30 3.00 0.33 1.40 1.01 -1.26 -0.84 120.40 122.74 1iud s VAL 244 Ca -0.03 -0.79 0.03 0.00 0.00 0.00 0.00 61.98 61.19 1iud s VAL 244 Cb -0.10 -2.43 -0.04 0.00 0.00 0.00 0.00 36.38 33.81 1iud s VAL 244 CO 0.02 0.33 0.12 0.28 0.00 0.00 0.00 175.10 175.85 1iud s THR 245 N 1.39 0.63 0.60 3.92 -1.32 0.46 -4.75 115.64 116.57 1iud s THR 245 Ca 0.03 -2.00 -0.18 0.00 -1.21 0.00 0.00 61.69 58.33 1iud s THR 245 Cb -0.15 -2.55 -0.05 0.00 -1.51 0.00 0.00 72.50 68.24 1iud s THR 245 CO -0.05 0.00 0.95 0.52 -2.21 0.00 0.00 174.62 173.83 1iud n VAL 246 N -0.68 3.63 -1.74 5.08 0.31 -1.26 -1.10 118.33 122.57 1iud n VAL 246 Ca -0.02 -0.50 -0.31 0.00 -0.01 0.00 0.00 64.34 63.50 1iud n VAL 246 Cb 0.65 -1.13 0.03 0.00 -0.91 0.00 0.00 33.84 32.49 1iud n VAL 246 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1iud s LEU 247 N -1.90 3.23 0.69 7.52 1.43 -1.26 -4.45 118.68 123.93 1iud s LEU 247 Ca 0.75 1.59 -0.15 0.00 -1.03 0.00 0.00 54.13 55.29 1iud s LEU 247 Cb -0.42 -4.49 0.02 0.00 0.03 0.00 0.00 46.19 41.32 1iud s LEU 247 CO 0.47 -1.23 1.17 -2.84 0.23 0.00 0.00 176.35 174.16 1iud s PRO 248 N -4.90 2.46 0.12 1.29 0.02 -1.26 -4.55 135.00 128.17 1iud s PRO 248 Ca 0.58 1.64 -0.18 0.00 0.02 0.00 0.00 61.00 63.06 1iud s PRO 248 Cb -0.13 -1.88 -0.07 0.00 0.02 0.00 0.00 34.50 32.43 1iud s PRO 248 CO 0.51 -1.56 0.59 0.95 -0.33 0.00 0.00 177.00 177.16 1iud s THR 249 N -2.05 4.73 -0.05 0.99 -4.23 -0.94 -3.34 115.64 110.75 1iud s THR 249 Ca 0.72 1.13 0.00 0.00 -1.18 0.00 0.00 61.69 62.37 1iud s THR 249 Cb -0.26 -3.85 -0.03 0.00 1.34 0.00 0.00 72.50 69.69 1iud s THR 249 CO 0.42 0.41 -0.03 0.12 -0.54 0.00 0.00 174.62 175.00 1iud s PHE 250 N -1.27 3.03 -1.30 3.99 5.36 0.38 -2.15 117.98 126.02 1iud s PHE 250 Ca 0.34 0.08 -0.05 0.00 -0.96 0.00 0.00 56.93 56.34 1iud s PHE 250 Cb -0.18 -1.71 0.01 0.00 -0.34 0.00 0.00 43.02 40.80 1iud s PHE 250 CO 0.20 0.41 0.09 1.63 -1.46 0.00 0.00 175.22 176.09 1iud n LYS 251 N 1.93 -0.85 0.00 10.12 4.76 -1.26 -1.05 118.16 131.81 1iud n LYS 251 Ca -0.17 0.06 0.00 0.00 -2.87 0.00 0.00 58.31 55.33 1iud n LYS 251 Cb 0.53 -2.93 0.00 0.00 -1.84 0.00 0.00 35.03 30.79 1iud n LYS 251 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1iud n GLY 252 N -2.31 1.78 3.90 0.72 0.00 -1.26 -4.94 105.19 103.08 1iud n GLY 252 Ca -0.26 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.48 1iud n GLY 252 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1iud s GLN 253 N 0.00 3.48 0.62 1.61 -1.52 -0.21 -4.97 119.66 118.68 1iud s GLN 253 Ca 0.00 0.29 -0.11 0.00 -1.95 0.00 0.00 55.36 53.59 1iud s GLN 253 Cb 0.00 -2.30 -0.04 0.00 -0.22 0.00 0.00 33.01 30.45 1iud s GLN 253 CO 0.00 -0.34 1.03 -1.25 -0.25 0.00 0.00 175.29 174.48 1iud s PRO 254 N -4.86 3.56 -0.29 2.91 0.04 -1.26 -0.47 135.00 134.62 1iud s PRO 254 Ca 0.50 0.77 -0.29 0.00 0.04 0.00 0.00 61.00 62.02 1iud s PRO 254 Cb -0.10 -2.07 0.01 0.00 0.04 0.00 0.00 34.50 32.37 1iud s PRO 254 CO 0.47 -0.60 1.16 -1.12 0.04 0.00 0.00 177.00 176.95 1iud s SER 255 N -4.12 6.86 -0.60 6.66 0.01 -1.21 -4.44 113.70 116.86 1iud s SER 255 Ca 0.55 1.17 -0.22 0.00 1.31 0.00 0.00 55.95 58.77 1iud s SER 255 Cb -0.11 -2.54 0.07 0.00 0.21 0.00 0.00 66.02 63.64 1iud s SER 255 CO 0.53 -0.92 0.87 -0.54 0.41 0.00 0.00 173.24 173.59 1iud s LYS 256 N 3.77 3.15 0.26 12.44 1.02 -1.22 -4.64 119.74 134.53 1iud s LYS 256 Ca 0.49 -0.80 -0.04 0.00 0.02 0.00 0.00 55.97 55.64 1iud s LYS 256 Cb -0.15 -4.18 0.07 0.00 -0.52 0.00 0.00 37.83 33.05 1iud s LYS 256 CO 0.17 -1.62 0.21 -2.30 -0.92 0.00 0.00 175.35 170.90 1iud n PRO 257 N 7.21 -1.72 -3.99 -1.68 -0.02 -1.26 -3.72 135.00 129.82 1iud n PRO 257 Ca -0.04 -0.34 -0.31 0.00 -2.02 0.00 0.00 63.50 60.79 1iud n PRO 257 Cb 0.45 -0.35 -0.15 0.00 -0.02 0.00 0.00 33.50 33.44 1iud n PRO 257 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1iud s PHE 258 N -1.36 3.13 0.22 6.00 2.19 -1.26 -2.33 117.98 124.57 1iud s PHE 258 Ca 0.14 -2.41 -0.30 0.00 0.33 0.00 0.00 56.93 54.69 1iud s PHE 258 Cb -0.02 -2.21 -0.10 0.00 -1.31 0.00 0.00 43.02 39.38 1iud s PHE 258 CO 0.11 -0.88 1.40 0.08 1.83 0.00 0.00 175.22 177.75 1iud s VAL 259 N 1.13 2.87 -0.01 3.12 1.01 0.05 -4.82 120.40 123.75 1iud s VAL 259 Ca 0.01 0.72 0.06 0.00 0.00 0.00 0.00 61.98 62.77 1iud s VAL 259 Cb -0.19 -3.46 -0.02 0.00 0.00 0.00 0.00 36.38 32.71 1iud s VAL 259 CO -0.08 0.11 -0.21 -0.83 0.00 0.00 0.00 175.10 174.09 1iud s GLY 260 N 0.40 1.02 -0.29 4.51 0.00 -0.84 -1.64 107.32 110.47 1iud s GLY 260 Ca 0.59 -0.90 -0.05 0.00 0.00 0.00 0.00 44.72 44.36 1iud s GLY 260 CO 0.41 -0.75 0.05 0.14 0.00 0.00 0.00 173.10 172.95 1iud s VAL 261 N -0.49 3.67 -0.23 1.40 1.01 -1.26 -0.71 120.40 123.79 1iud s VAL 261 Ca 0.08 -0.86 -0.29 0.00 0.00 0.00 0.00 61.98 60.91 1iud s VAL 261 Cb -0.08 -2.93 -0.03 0.00 0.00 0.00 0.00 36.38 33.34 1iud s VAL 261 CO -0.01 0.05 1.75 -0.22 0.00 0.00 0.00 175.10 176.68 1iud s LEU 262 N 1.44 3.79 0.03 3.92 2.96 0.22 -0.19 118.68 130.84 1iud s LEU 262 Ca 0.01 1.65 0.06 0.00 -0.22 0.00 0.00 54.13 55.63 1iud s LEU 262 Cb -0.18 -3.53 -0.03 0.00 0.50 0.00 0.00 46.19 42.95 1iud s LEU 262 CO 0.01 -1.43 -0.16 -0.44 -1.32 0.00 0.00 176.35 173.01 1iud s SER 263 N 5.14 3.92 -0.47 3.68 0.01 -0.63 -0.58 113.70 124.77 1iud s SER 263 Ca 0.78 -0.37 0.03 0.00 1.31 0.00 0.00 55.95 57.70 1iud s SER 263 Cb -0.26 -0.69 0.12 0.00 0.21 0.00 0.00 66.02 65.40 1iud s SER 263 CO 0.32 0.27 0.20 0.00 0.41 0.00 0.00 173.24 174.44 1iud s ALA 264 N -0.91 3.19 1.02 1.44 0.00 -0.92 -1.14 121.76 124.43 1iud s ALA 264 Ca 0.15 -3.01 -0.12 0.00 0.00 0.00 0.00 51.96 48.98 1iud s ALA 264 Cb -0.11 -2.15 0.16 0.00 0.00 0.00 0.00 23.12 21.02 1iud s ALA 264 CO 0.05 -1.91 0.89 0.41 0.00 0.00 0.00 175.76 175.20 1iud n GLY 265 N 3.57 -1.56 2.94 0.00 0.00 0.19 -3.39 105.19 106.93 1iud n GLY 265 Ca 0.05 -1.67 -0.23 0.00 0.00 0.00 0.00 46.02 44.16 1iud n GLY 265 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1iud s ILE 266 N -2.91 0.87 -0.03 -0.61 1.01 -1.26 -1.57 121.20 116.70 1iud s ILE 266 Ca 0.51 -0.29 -0.30 0.00 0.00 0.00 0.00 60.65 60.58 1iud s ILE 266 Cb -0.02 -0.86 -0.07 0.00 0.01 0.00 0.00 42.46 41.52 1iud s ILE 266 CO 0.36 0.31 1.90 0.21 0.00 0.00 0.00 174.94 177.73 1iud s ASN 267 N 1.05 6.37 0.22 3.58 3.84 0.16 -1.20 114.94 128.95 1iud s ASN 267 Ca -0.08 2.40 -0.09 0.00 0.21 0.00 0.00 52.86 55.30 1iud s ASN 267 Cb -0.14 -2.53 0.23 0.00 -0.55 0.00 0.00 41.25 38.26 1iud s ASN 267 CO -0.01 -1.15 1.85 0.00 -2.79 0.00 0.00 177.10 175.00 1iud h ALA 268 N 10.91 0.98 0.00 1.71 0.00 -1.58 0.92 119.26 132.21 1iud h ALA 268 Ca -0.45 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1iud h ALA 268 Cb 1.22 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1iud h ALA 268 CO 0.95 0.22 0.00 0.00 0.00 0.00 0.00 179.25 180.42 1iud n ALA 269 N -2.33 1.78 -2.32 0.00 0.00 -1.26 -4.74 120.51 111.64 1iud n ALA 269 Ca 0.09 -0.06 -0.40 0.00 0.00 0.00 0.00 53.44 53.07 1iud n ALA 269 Cb 0.11 -1.18 -0.05 0.00 0.00 0.00 0.00 19.45 18.33 1iud n ALA 269 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1iud s SER 270 N -2.33 7.20 -0.05 0.00 0.15 0.32 -4.93 113.70 114.06 1iud s SER 270 Ca 0.13 1.43 0.15 0.00 0.70 0.00 0.00 55.95 58.36 1iud s SER 270 Cb 0.07 -2.45 0.51 0.00 -1.71 0.00 0.00 66.02 62.45 1iud s SER 270 CO 0.15 0.08 1.40 -0.81 1.20 0.00 0.00 173.24 175.27 1iud n PRO 271 N 2.49 2.71 -0.72 5.44 -0.04 -1.26 -4.10 135.00 139.52 1iud n PRO 271 Ca -0.04 -2.05 0.04 0.00 -0.04 0.00 0.00 63.50 61.42 1iud n PRO 271 Cb 0.50 -1.61 0.31 0.00 -0.04 0.00 0.00 33.50 32.66 1iud n PRO 271 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1iud n ASN 272 N 0.90 4.53 -0.30 3.54 5.03 -1.26 -4.78 115.26 122.92 1iud n ASN 272 Ca 0.19 -3.09 0.06 0.00 0.87 0.00 0.00 54.58 52.61 1iud n ASN 272 Cb 0.60 -0.63 0.22 0.00 -1.02 0.00 0.00 39.78 38.94 1iud n ASN 272 CO 0.00 0.00 0.00 0.11 -1.83 0.00 0.00 177.26 175.54 1iud h LYS 273 N 2.56 0.69 0.00 3.52 1.57 -1.91 0.23 116.57 123.23 1iud h LYS 273 Ca 0.07 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 1iud h LYS 273 Cb 1.79 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 33.94 1iud h LYS 273 CO 0.41 0.45 -0.16 1.49 -0.57 0.00 0.00 179.45 181.08 1iud h GLU 274 N 0.71 0.00 0.00 3.15 4.57 -1.95 -2.28 114.58 118.78 1iud h GLU 274 Ca 0.46 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.57 1iud h GLU 274 Cb 0.58 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.16 1iud h GLU 274 CO -0.33 0.16 -0.60 -0.07 -1.18 0.00 0.00 179.01 177.00 1iud h LEU 275 N 0.00 0.00 0.23 1.64 3.38 -1.01 -3.14 115.31 116.40 1iud h LEU 275 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1iud h LEU 275 Cb 0.68 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1iud h LEU 275 CO 0.02 0.27 -0.11 0.00 0.09 0.00 0.00 178.44 178.71 1iud h ALA 276 N 1.73 -0.30 -0.88 1.53 0.00 -0.65 -2.97 119.26 117.72 1iud h ALA 276 Ca -0.03 -0.17 0.16 0.00 0.00 0.00 0.00 54.91 54.87 1iud h ALA 276 Cb 1.23 0.12 -0.16 0.00 0.00 0.00 0.00 17.79 18.97 1iud h ALA 276 CO 0.03 -0.33 -0.29 -0.22 0.00 0.00 0.00 179.25 178.44 1iud h LYS 277 N -0.98 -0.02 -0.40 0.00 3.64 -1.53 0.26 116.57 117.53 1iud h LYS 277 Ca -0.03 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.24 1iud h LYS 277 Cb 0.44 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.25 1iud h LYS 277 CO 0.05 -0.02 -0.18 1.49 -2.27 0.00 0.00 179.45 178.52 1iud h GLU 278 N -0.02 0.77 0.75 1.90 4.81 -1.66 0.40 114.58 121.51 1iud h GLU 278 Ca 0.38 -0.29 -0.04 0.00 -0.13 0.00 0.00 59.36 59.28 1iud h GLU 278 Cb 0.63 -0.05 0.01 0.00 0.63 0.00 0.00 28.75 29.97 1iud h GLU 278 CO -0.91 0.89 -0.36 0.35 -0.73 0.00 0.00 179.01 178.26 1iud h PHE 279 N 0.68 -0.93 -0.52 0.92 3.57 -0.46 -0.72 116.94 119.47 1iud h PHE 279 Ca 0.10 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.58 1iud h PHE 279 Cb 0.68 0.31 -0.03 0.00 2.79 0.00 0.00 35.95 39.70 1iud h PHE 279 CO 0.03 -0.56 0.32 -0.07 -2.23 0.00 0.00 178.31 175.80 1iud h LEU 280 N -1.19 0.63 0.04 0.59 3.38 -0.79 -1.62 115.31 116.36 1iud h LEU 280 Ca -0.10 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 1iud h LEU 280 Cb 0.79 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1iud h LEU 280 CO 0.17 0.50 -0.02 -0.33 0.09 0.00 0.00 178.44 178.85 1iud h GLU 281 N 0.70 -0.06 -0.00 1.13 5.08 -0.23 -0.20 114.58 121.00 1iud h GLU 281 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1iud h GLU 281 Cb -0.01 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1iud h GLU 281 CO -0.04 0.58 -0.41 0.09 -1.00 0.00 0.00 179.01 178.23 1iud n ASN 282 N -4.78 0.83 0.03 1.42 3.02 -0.28 -4.34 115.26 111.16 1iud n ASN 282 Ca -0.08 -0.63 -0.00 0.00 -0.03 0.00 0.00 54.58 53.83 1iud n ASN 282 Cb 0.33 0.24 -0.00 0.00 -0.61 0.00 0.00 39.78 39.74 1iud n ASN 282 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1iud n TYR 283 N -1.05 0.00 0.13 3.10 4.02 -0.80 -4.91 117.16 117.66 1iud n TYR 283 Ca 0.09 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.85 1iud n TYR 283 Cb 0.35 -0.01 -0.08 0.00 -0.02 0.00 0.00 39.34 39.58 1iud n TYR 283 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 176.86 177.10 1iud h LEU 284 N -0.02 -0.32 -4.93 7.72 5.85 -1.35 -3.33 115.31 118.93 1iud h LEU 284 Ca 0.00 -0.21 -0.33 0.00 0.84 0.00 0.00 57.88 58.18 1iud h LEU 284 Cb 0.02 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 1iud h LEU 284 CO 0.00 0.10 1.78 0.18 -0.34 0.00 0.00 178.44 180.16 1iud n LEU 285 N -5.08 5.08 -4.22 2.25 4.77 -0.09 -1.94 117.00 117.77 1iud n LEU 285 Ca -0.09 -2.93 -0.17 0.00 -0.03 0.00 0.00 56.01 52.78 1iud n LEU 285 Cb 0.26 -1.13 -0.07 0.00 -2.33 0.00 0.00 43.42 40.15 1iud n LEU 285 CO 0.28 1.02 -0.06 0.42 -1.33 0.00 0.00 177.39 177.73 1iud s THR 286 N 2.51 0.00 0.00 -5.08 -4.23 -1.25 -4.87 115.64 102.72 1iud s THR 286 Ca 0.47 -1.90 0.00 0.00 -1.18 0.00 0.00 61.69 59.09 1iud s THR 286 Cb 0.16 -2.53 0.00 0.00 1.34 0.00 0.00 72.50 71.47 1iud s THR 286 CO -0.03 0.00 0.67 0.47 -0.54 0.00 0.00 174.62 175.20 1iud n ASP 287 N -1.38 0.00 -0.37 3.99 9.92 -1.26 -1.41 116.55 126.05 1iud n ASP 287 Ca 0.05 0.76 0.28 0.00 -0.53 0.00 0.00 54.79 55.35 1iud n ASP 287 Cb 0.62 -0.37 0.54 0.00 -0.64 0.00 0.00 41.12 41.28 1iud n ASP 287 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 1iud h GLU 288 N 0.00 0.24 0.24 -1.24 3.07 -1.92 0.16 114.58 115.13 1iud h GLU 288 Ca 0.00 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 58.83 1iud h GLU 288 Cb 0.00 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 27.86 1iud h GLU 288 CO 0.00 0.16 -0.12 0.78 -1.40 0.00 0.00 179.01 178.44 1iud h GLY 289 N 0.25 -0.34 1.26 -3.84 0.00 -1.67 -2.48 103.07 96.26 1iud h GLY 289 Ca 0.74 0.12 0.02 0.00 0.00 0.00 0.00 47.33 48.21 1iud h GLY 289 CO -0.48 -0.12 0.47 1.41 0.00 0.00 0.00 176.54 177.82 1iud h LEU 290 N -0.89 0.79 -2.12 3.11 3.38 0.01 -0.14 115.31 119.45 1iud h LEU 290 Ca -0.03 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1iud h LEU 290 Cb 0.51 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 1iud h LEU 290 CO 0.05 0.56 -0.06 -0.08 0.09 0.00 0.00 178.44 179.00 1iud h GLU 291 N 0.93 0.00 0.10 1.13 4.81 -0.74 0.17 114.58 120.98 1iud h GLU 291 Ca 0.27 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.49 1iud h GLU 291 Cb -0.05 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.33 1iud h GLU 291 CO -0.07 0.06 -0.05 0.00 -0.73 0.00 0.00 179.01 178.23 1iud h ALA 292 N 1.94 -0.14 -0.41 2.92 0.00 -0.55 -2.16 119.26 120.86 1iud h ALA 292 Ca -0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1iud h ALA 292 Cb 0.27 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1iud h ALA 292 CO 0.01 -0.22 0.26 0.28 0.00 0.00 0.00 179.25 179.57 1iud h VAL 293 N -0.85 1.12 -0.82 0.00 2.07 -1.19 -3.18 116.25 113.40 1iud h VAL 293 Ca -0.01 -0.26 0.11 0.00 0.82 0.00 0.00 66.70 67.35 1iud h VAL 293 Cb 0.57 0.56 -0.08 0.00 -1.52 0.00 0.00 31.29 30.82 1iud h VAL 293 CO 0.02 0.12 0.45 -1.13 0.02 0.00 0.00 177.57 177.06 1iud h ASN 294 N 0.55 0.62 0.25 0.57 -1.24 -0.71 -1.92 115.58 113.70 1iud h ASN 294 Ca 0.15 0.06 -0.08 0.00 0.71 0.00 0.00 56.30 57.14 1iud h ASN 294 Cb -0.02 -0.06 -0.01 0.00 0.73 0.00 0.00 38.32 38.96 1iud h ASN 294 CO -0.03 0.34 -0.33 0.11 -1.29 0.00 0.00 177.43 176.23 1iud h LYS 295 N 0.73 0.12 0.77 6.67 1.57 -1.36 -1.95 116.57 123.12 1iud h LYS 295 Ca 0.41 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 59.10 1iud h LYS 295 Cb 0.43 -0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.74 1iud h LYS 295 CO -0.27 0.44 -0.37 0.22 -0.57 0.00 0.00 179.45 178.90 1iud h ASP 296 N 0.11 -0.87 -2.60 0.86 3.58 -1.40 -3.44 116.42 112.66 1iud h ASP 296 Ca 0.01 0.02 -0.16 0.00 0.42 0.00 0.00 57.03 57.32 1iud h ASP 296 Cb 0.64 0.23 -0.30 0.00 1.72 0.00 0.00 39.33 41.61 1iud h ASP 296 CO 0.05 -0.52 -0.46 -0.54 -2.88 0.00 0.00 179.24 174.89 1iud s LYS 297 N -5.14 0.25 0.10 0.28 1.02 -1.05 -4.93 119.74 110.27 1iud s LYS 297 Ca -0.16 0.84 -0.32 0.00 0.02 0.00 0.00 55.97 56.35 1iud s LYS 297 Cb 0.02 0.05 -0.17 0.00 -0.52 0.00 0.00 37.83 37.20 1iud s LYS 297 CO 0.50 -0.32 0.73 -2.30 -0.92 0.00 0.00 175.35 173.04 1iud n PRO 298 N 5.37 0.00 0.03 -1.68 -0.02 -0.75 -4.32 135.00 133.63 1iud n PRO 298 Ca -0.07 0.00 -0.15 0.00 -2.02 0.00 0.00 63.50 61.27 1iud n PRO 298 Cb 0.50 -1.17 -0.14 0.00 -0.02 0.00 0.00 33.50 32.67 1iud n PRO 298 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1iud h LEU 299 N 1.81 0.25 0.00 2.45 3.38 -1.86 -3.25 115.31 118.10 1iud h LEU 299 Ca -0.37 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.18 1iud h LEU 299 Cb 1.37 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.04 1iud h LEU 299 CO 0.58 1.36 0.00 0.61 0.09 0.00 0.00 178.44 181.08 1iud n GLY 300 N 1.67 0.51 3.52 0.83 0.00 -1.26 -4.60 105.19 105.87 1iud n GLY 300 Ca -0.18 -1.70 -0.43 0.00 0.00 0.00 0.00 46.02 43.71 1iud n GLY 300 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iud s ALA 301 N -2.00 3.21 0.39 4.61 0.00 -0.09 -4.90 121.76 122.98 1iud s ALA 301 Ca 0.00 -1.19 -0.27 0.00 0.00 0.00 0.00 51.96 50.50 1iud s ALA 301 Cb 0.00 -3.65 -0.09 0.00 0.00 0.00 0.00 23.12 19.38 1iud s ALA 301 CO 0.00 -2.24 1.36 0.14 0.00 0.00 0.00 175.76 175.02 1iud s VAL 302 N 3.70 2.45 -0.79 0.00 -7.23 -1.26 0.14 120.40 117.41 1iud s VAL 302 Ca 0.30 0.42 0.16 0.00 -1.81 0.00 0.00 61.98 61.05 1iud s VAL 302 Cb -0.13 -3.26 0.15 0.00 0.56 0.00 0.00 36.38 33.70 1iud s VAL 302 CO 0.20 0.08 1.49 0.00 -0.31 0.00 0.00 175.10 176.56 1iud n ALA 303 N 0.30 1.53 -2.66 1.32 0.00 -0.10 -4.49 120.51 116.42 1iud n ALA 303 Ca 0.02 0.01 -0.42 0.00 0.00 0.00 0.00 53.44 53.06 1iud n ALA 303 Cb 0.42 -1.25 -0.04 0.00 0.00 0.00 0.00 19.45 18.58 1iud n ALA 303 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1iud s LEU 304 N -3.55 4.12 0.08 0.00 2.96 -1.26 -2.75 118.68 118.29 1iud s LEU 304 Ca 0.05 1.14 -0.35 0.00 -0.22 0.00 0.00 54.13 54.74 1iud s LEU 304 Cb 0.08 -3.25 -0.18 0.00 0.50 0.00 0.00 46.19 43.34 1iud s LEU 304 CO 0.26 -0.48 1.55 0.11 -1.32 0.00 0.00 176.35 176.46 1iud h LYS 305 N 7.50 -1.01 -0.59 1.98 1.57 -1.61 -0.49 116.57 123.92 1iud h LYS 305 Ca -0.25 0.07 0.12 0.00 -1.87 0.00 0.00 60.65 58.71 1iud h LYS 305 Cb 1.11 0.23 -0.11 0.00 0.08 0.00 0.00 32.23 33.53 1iud h LYS 305 CO 0.87 -0.67 -0.21 0.66 -0.57 0.00 0.00 179.45 179.53 1iud h SER 306 N -1.05 -0.74 1.18 0.86 4.64 -1.93 0.37 113.55 116.87 1iud h SER 306 Ca -0.08 0.19 -0.02 0.00 -0.47 0.00 0.00 61.79 61.42 1iud h SER 306 Cb 0.89 0.43 -0.00 0.00 -0.31 0.00 0.00 62.40 63.41 1iud h SER 306 CO -0.01 -0.24 -0.08 0.22 -0.87 0.00 0.00 176.83 175.84 1iud h TYR 307 N -0.06 0.00 -0.10 4.77 3.20 -1.92 -3.10 116.97 119.76 1iud h TYR 307 Ca 0.27 0.00 -0.17 0.00 3.14 0.00 0.00 58.73 61.97 1iud h TYR 307 Cb 0.49 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.75 1iud h TYR 307 CO -0.53 0.08 -0.66 1.49 -1.64 0.00 0.00 178.16 176.90 1iud h GLU 308 N 0.00 0.39 -0.08 1.82 4.22 0.79 -3.26 114.58 118.45 1iud h GLU 308 Ca -0.00 -0.29 -0.08 0.00 0.08 0.00 0.00 59.36 59.07 1iud h GLU 308 Cb 0.70 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.00 1iud h GLU 308 CO 0.01 0.91 -0.24 0.93 -2.18 0.00 0.00 179.01 178.44 1iud h GLU 309 N 0.28 0.31 -0.32 1.92 5.08 -1.36 -1.28 114.58 119.20 1iud h GLU 309 Ca -0.02 -0.22 0.07 0.00 -1.00 0.00 0.00 59.36 58.19 1iud h GLU 309 Cb 1.21 0.04 -0.07 0.00 0.50 0.00 0.00 28.75 30.43 1iud h GLU 309 CO 0.11 0.84 -0.13 1.49 -1.00 0.00 0.00 179.01 180.32 1iud h GLU 310 N -0.17 -0.07 -0.59 2.33 4.81 -1.64 0.16 114.58 119.42 1iud h GLU 310 Ca -0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1iud h GLU 310 Cb 0.86 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.26 1iud h GLU 310 CO 0.05 -0.05 0.00 1.47 -0.73 0.00 0.00 179.01 179.75 1iud n LEU 311 N -5.31 3.24 0.21 1.64 -0.00 -1.23 -3.92 117.00 111.63 1iud n LEU 311 Ca 0.01 -1.63 0.08 0.00 -0.00 0.00 0.00 56.01 54.46 1iud n LEU 311 Cb 0.23 -0.45 0.45 0.00 -0.00 0.00 0.00 43.42 43.64 1iud n LEU 311 CO 0.16 0.58 0.77 0.00 -0.00 0.00 0.00 177.39 178.91 1iud h ALA 312 N 3.65 1.08 0.00 1.47 0.00 0.58 -1.94 119.26 124.10 1iud h ALA 312 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1iud h ALA 312 Cb 1.00 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1iud h ALA 312 CO 0.14 0.35 0.00 1.63 0.00 0.00 0.00 179.25 181.37 1iud n LYS 313 N -3.55 0.10 -2.05 0.00 4.01 -1.25 -4.49 118.16 110.94 1iud n LYS 313 Ca -0.01 0.32 -0.42 0.00 -0.51 0.00 0.00 58.31 57.70 1iud n LYS 313 Cb 0.43 -1.69 -0.03 0.00 -0.51 0.00 0.00 35.03 33.23 1iud n LYS 313 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 1iud s ASP 314 N -3.66 6.71 0.43 4.39 -1.08 -0.73 -4.90 116.67 117.82 1iud s ASP 314 Ca 0.06 2.44 0.09 0.00 -0.52 0.00 0.00 52.55 54.61 1iud s ASP 314 Cb 0.10 -2.58 0.93 0.00 -1.46 0.00 0.00 42.92 39.91 1iud s ASP 314 CO 0.35 -0.76 2.08 1.55 0.52 0.00 0.00 175.17 178.91 1iud h PRO 315 N 7.12 0.44 0.00 4.34 0.13 -1.89 -1.33 132.00 140.81 1iud h PRO 315 Ca -0.42 -0.03 -0.18 0.00 -0.87 0.00 0.00 66.00 64.50 1iud h PRO 315 Cb 1.20 -0.10 -0.03 0.00 0.13 0.00 0.00 31.00 32.21 1iud h PRO 315 CO 0.90 0.29 -0.87 0.00 -0.23 0.00 0.00 178.00 178.08 1iud h ARG 316 N 0.46 0.00 -0.27 0.86 -0.00 -1.91 -1.97 114.38 111.55 1iud h ARG 316 Ca 0.12 0.00 -0.12 0.00 -0.50 0.00 0.00 59.98 59.48 1iud h ARG 316 Cb -0.05 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 29.91 1iud h ARG 316 CO -0.03 0.87 -0.35 0.82 0.00 0.00 0.00 179.97 181.29 1iud h ILE 317 N 0.00 1.29 0.02 2.04 1.08 -1.79 0.12 117.51 120.26 1iud h ILE 317 Ca -0.01 -1.48 -0.00 0.00 -0.39 0.00 0.00 64.86 62.98 1iud h ILE 317 Cb 1.55 1.46 0.00 0.00 -3.07 0.00 0.00 36.82 36.76 1iud h ILE 317 CO 0.11 0.47 -0.01 0.00 -0.69 0.00 0.00 178.15 178.04 1iud h ALA 318 N 1.12 -0.02 -0.58 1.87 0.00 -1.03 -1.46 119.26 119.16 1iud h ALA 318 Ca 0.05 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1iud h ALA 318 Cb 0.84 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1iud h ALA 318 CO 0.07 -0.47 0.09 0.00 0.00 0.00 0.00 179.25 178.95 1iud h ALA 319 N 0.87 0.77 -0.93 0.00 0.00 -1.22 -0.72 119.26 118.02 1iud h ALA 319 Ca -0.00 -0.25 0.11 0.00 0.00 0.00 0.00 54.91 54.76 1iud h ALA 319 Cb 0.11 -0.22 -0.07 0.00 0.00 0.00 0.00 17.79 17.61 1iud h ALA 319 CO 0.00 0.52 0.60 1.15 0.00 0.00 0.00 179.25 181.52 1iud h THR 320 N 0.86 0.94 0.00 0.00 2.02 -0.69 -0.64 112.91 115.39 1iud h THR 320 Ca 0.18 -0.31 -0.11 0.00 0.77 0.00 0.00 66.41 66.93 1iud h THR 320 Cb 0.42 -0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 66.77 1iud h THR 320 CO 0.01 0.16 -0.54 0.24 0.37 0.00 0.00 175.52 175.76 1iud h MET 321 N 0.90 0.00 -0.08 6.66 2.86 -0.39 -1.86 114.93 123.02 1iud h MET 321 Ca 0.45 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 58.07 1iud h MET 321 Cb 0.47 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.13 1iud h MET 321 CO -0.21 0.54 -0.03 1.49 1.06 0.00 0.00 176.91 179.77 1iud h GLU 322 N 0.00 0.16 -0.59 1.72 4.81 0.30 -0.46 114.58 120.53 1iud h GLU 322 Ca -0.01 -0.07 -0.10 0.00 -0.13 0.00 0.00 59.36 59.06 1iud h GLU 322 Cb 1.15 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.51 1iud h GLU 322 CO 0.07 0.50 -0.03 -0.91 -0.73 0.00 0.00 179.01 177.91 1iud h ASN 323 N -0.18 1.04 -0.91 1.04 2.35 -1.36 -2.54 115.58 115.02 1iud h ASN 323 Ca 0.02 -0.31 0.05 0.00 -0.55 0.00 0.00 56.30 55.51 1iud h ASN 323 Cb 0.44 -0.28 -0.06 0.00 0.05 0.00 0.00 38.32 38.47 1iud h ASN 323 CO 0.01 1.10 0.58 0.00 -1.65 0.00 0.00 177.43 177.47 1iud h ALA 324 N 1.00 1.23 0.00 -0.83 0.00 -1.27 -1.82 119.26 117.56 1iud h ALA 324 Ca 0.16 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1iud h ALA 324 Cb 0.59 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1iud h ALA 324 CO 0.04 0.39 -0.01 0.37 0.00 0.00 0.00 179.25 180.04 1iud h GLN 325 N 1.09 0.00 0.00 0.00 -0.00 -0.64 -2.35 115.11 113.20 1iud h GLN 325 Ca 0.38 0.00 -0.09 0.00 -0.00 0.00 0.00 58.65 58.94 1iud h GLN 325 Cb 0.09 0.00 -0.02 0.00 0.00 0.00 0.00 27.48 27.55 1iud h GLN 325 CO -0.15 0.01 -1.44 1.63 0.00 0.00 0.00 178.83 178.88 1iud n LYS 326 N -4.15 0.63 -2.48 1.69 5.02 -0.74 -4.96 118.16 113.16 1iud n LYS 326 Ca -0.03 0.09 -0.25 0.00 -2.02 0.00 0.00 58.31 56.10 1iud n LYS 326 Cb 0.09 -1.74 0.14 0.00 -0.02 0.00 0.00 35.03 33.50 1iud n LYS 326 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1iud n GLY 327 N 1.31 0.25 3.66 0.72 0.00 -0.85 -4.58 105.19 105.70 1iud n GLY 327 Ca -0.07 -1.97 -0.35 0.00 0.00 0.00 0.00 46.02 43.63 1iud n GLY 327 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1iud s GLU 328 N -5.31 2.93 0.25 1.61 8.01 -0.98 -4.83 118.70 120.37 1iud s GLU 328 Ca 0.69 -0.44 -0.30 0.00 0.01 0.00 0.00 54.97 54.93 1iud s GLU 328 Cb -0.03 -2.74 -0.09 0.00 -4.31 0.00 0.00 34.13 26.95 1iud s GLU 328 CO 0.46 0.69 1.16 -1.50 0.01 0.00 0.00 175.26 176.09 1iud s ILE 329 N -0.85 3.44 0.33 -1.63 2.07 -1.26 -0.77 121.20 122.52 1iud s ILE 329 Ca 0.13 1.34 -0.26 0.00 -1.41 0.00 0.00 60.65 60.45 1iud s ILE 329 Cb -0.11 -3.85 -0.10 0.00 0.13 0.00 0.00 42.46 38.53 1iud s ILE 329 CO 0.02 0.28 0.98 0.00 -1.91 0.00 0.00 174.94 174.30 1iud s MET 330 N -0.98 4.52 0.73 3.50 0.23 -0.65 -4.82 119.30 121.82 1iud s MET 330 Ca 0.48 1.41 -0.15 0.00 -1.03 0.00 0.00 55.69 56.41 1iud s MET 330 Cb -0.33 -2.81 0.04 0.00 -1.53 0.00 0.00 34.83 30.20 1iud s MET 330 CO 0.41 0.20 1.21 -2.14 -2.03 0.00 0.00 175.02 172.67 1iud s PRO 331 N -2.04 2.10 -0.05 3.16 0.02 -1.26 -4.78 135.00 132.15 1iud s PRO 331 Ca 0.51 1.78 0.11 0.00 0.02 0.00 0.00 61.00 63.42 1iud s PRO 331 Cb -0.21 -1.83 0.30 0.00 0.02 0.00 0.00 34.50 32.79 1iud s PRO 331 CO 0.26 -1.87 1.24 0.27 -0.33 0.00 0.00 177.00 176.58 1iud n ASN 332 N -2.73 2.95 -4.59 2.53 0.23 -1.26 -4.42 115.26 107.97 1iud n ASN 332 Ca 0.14 -2.29 -0.30 0.00 -0.53 0.00 0.00 54.58 51.60 1iud n ASN 332 Cb 0.50 -0.27 0.20 0.00 -2.08 0.00 0.00 39.78 38.13 1iud n ASN 332 CO 0.00 0.00 0.00 2.30 -0.93 0.00 0.00 177.26 178.63 1iud n ILE 333 N 0.00 0.00 -0.09 1.53 -5.35 -1.26 -1.52 119.36 112.67 1iud n ILE 333 Ca 0.12 -0.17 -0.02 0.00 -0.27 0.00 0.00 62.75 62.41 1iud n ILE 333 Cb 0.51 -0.99 0.23 0.00 -1.74 0.00 0.00 39.64 37.65 1iud n ILE 333 CO 0.00 0.00 0.00 -0.65 -1.76 0.00 0.00 176.55 174.14 1iud h PRO 334 N -2.19 0.73 -0.62 6.28 0.11 -1.90 -3.13 132.00 131.28 1iud h PRO 334 Ca -0.50 -0.15 0.00 0.00 0.11 0.00 0.00 66.00 65.46 1iud h PRO 334 Cb 1.29 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1iud h PRO 334 CO 0.44 0.68 0.00 0.00 -0.21 0.00 0.00 178.00 178.90 1iud n GLN 335 N -4.28 1.15 0.02 1.05 0.00 -1.26 -3.57 117.38 110.48 1iud n GLN 335 Ca 0.03 -0.15 -0.13 0.00 0.00 0.00 0.00 57.00 56.76 1iud n GLN 335 Cb 0.23 -1.34 -0.09 0.00 0.00 0.00 0.00 30.24 29.03 1iud n GLN 335 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.06 177.58 1iud h MET 336 N 0.20 -0.08 -1.00 2.61 2.86 -1.86 -2.48 114.93 115.18 1iud h MET 336 Ca 0.00 0.01 0.27 0.00 -2.06 0.00 0.00 59.70 57.91 1iud h MET 336 Cb 0.37 0.02 -0.06 0.00 0.06 0.00 0.00 31.60 31.99 1iud h MET 336 CO 0.01 0.39 0.69 0.66 1.06 0.00 0.00 176.91 179.72 1iud h SER 337 N -0.58 0.22 -0.14 1.22 4.64 -1.83 0.99 113.55 118.06 1iud h SER 337 Ca -0.01 0.03 -0.17 0.00 -0.47 0.00 0.00 61.79 61.18 1iud h SER 337 Cb 0.50 -0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.59 1iud h SER 337 CO 0.01 0.06 -0.53 0.00 -0.87 0.00 0.00 176.83 175.50 1iud h ALA 338 N 1.55 0.60 0.63 5.18 0.00 -1.75 -2.65 119.26 122.83 1iud h ALA 338 Ca 0.52 -0.51 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1iud h ALA 338 Cb 1.66 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 19.37 1iud h ALA 338 CO -0.13 0.68 -0.30 0.35 0.00 0.00 0.00 179.25 179.85 1iud h PHE 339 N 0.56 -0.78 -0.22 0.00 3.57 0.14 -0.94 116.94 119.28 1iud h PHE 339 Ca 0.02 -0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.54 1iud h PHE 339 Cb 1.10 0.26 -0.05 0.00 2.79 0.00 0.00 35.95 40.05 1iud h PHE 339 CO 0.06 -0.45 -0.08 -1.49 -2.23 0.00 0.00 178.31 174.12 1iud h TRP 340 N -0.95 -0.17 -0.49 0.41 -0.00 -1.23 0.13 115.95 113.64 1iud h TRP 340 Ca -0.09 0.02 0.02 0.00 -0.00 0.00 0.00 58.89 58.85 1iud h TRP 340 Cb 0.68 0.11 -0.03 0.00 -0.00 0.00 0.00 29.16 29.92 1iud h TRP 340 CO -0.01 -0.12 0.29 -0.92 -0.00 0.00 0.00 178.44 177.68 1iud h TYR 341 N -0.03 0.55 -0.39 0.49 5.03 -1.51 0.91 116.97 122.02 1iud h TYR 341 Ca 0.11 0.02 -0.05 0.00 2.58 0.00 0.00 58.73 61.39 1iud h TYR 341 Cb 0.20 -0.18 -0.02 0.00 1.55 0.00 0.00 36.73 38.29 1iud h TYR 341 CO -0.25 0.31 0.02 0.00 -1.32 0.00 0.00 178.16 176.93 1iud h ALA 342 N 1.22 1.32 0.22 1.82 0.00 -0.40 -2.85 119.26 120.60 1iud h ALA 342 Ca 0.20 -0.21 -0.35 0.00 0.00 0.00 0.00 54.91 54.56 1iud h ALA 342 Cb 0.02 -0.16 0.02 0.00 0.00 0.00 0.00 17.79 17.67 1iud h ALA 342 CO -0.09 0.47 -1.63 0.28 0.00 0.00 0.00 179.25 178.28 1iud h VAL 343 N 0.58 1.10 -0.10 0.00 2.07 -0.36 -2.92 116.25 116.62 1iud h VAL 343 Ca 0.12 -2.61 0.04 0.00 0.82 0.00 0.00 66.70 65.08 1iud h VAL 343 Cb 0.33 2.90 -0.06 0.00 -1.52 0.00 0.00 31.29 32.94 1iud h VAL 343 CO 0.01 0.84 -0.39 -0.09 0.02 0.00 0.00 177.57 177.95 1iud h ARG 344 N 0.13 -0.47 -0.63 1.57 2.43 -0.83 0.46 114.38 117.04 1iud h ARG 344 Ca -0.30 0.03 0.11 0.00 -0.81 0.00 0.00 59.98 59.01 1iud h ARG 344 Cb 2.14 0.11 -0.08 0.00 -0.42 0.00 0.00 29.97 31.71 1iud h ARG 344 CO 0.23 -0.31 0.20 1.15 -1.51 0.00 0.00 179.97 179.72 1iud h THR 345 N -0.49 0.70 -0.70 0.20 2.02 -1.63 0.17 112.91 113.18 1iud h THR 345 Ca 0.07 -0.12 0.01 0.00 0.77 0.00 0.00 66.41 67.15 1iud h THR 345 Cb 0.61 0.32 -0.04 0.00 -1.74 0.00 0.00 68.15 67.30 1iud h THR 345 CO -0.36 0.06 0.46 0.00 0.37 0.00 0.00 175.52 176.05 1iud h ALA 346 N 1.46 0.90 0.15 6.16 0.00 -0.60 -1.16 119.26 126.18 1iud h ALA 346 Ca 0.33 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 1iud h ALA 346 Cb 0.45 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1iud h ALA 346 CO -0.36 0.28 -0.07 0.28 0.00 0.00 0.00 179.25 179.38 1iud h VAL 347 N 0.92 0.98 -0.04 0.00 2.07 0.78 -2.55 116.25 118.42 1iud h VAL 347 Ca 0.27 -0.66 0.04 0.00 0.82 0.00 0.00 66.70 67.16 1iud h VAL 347 Cb -0.07 1.38 -0.06 0.00 -1.52 0.00 0.00 31.29 31.02 1iud h VAL 347 CO -0.07 0.15 -0.37 0.40 0.02 0.00 0.00 177.57 177.70 1iud h ILE 348 N -0.53 0.22 -0.69 4.57 2.04 -0.65 0.95 117.51 123.42 1iud h ILE 348 Ca -0.02 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.85 1iud h ILE 348 Cb 0.41 0.22 -0.04 0.00 -0.74 0.00 0.00 36.82 36.67 1iud h ILE 348 CO 0.03 0.00 0.46 0.78 0.00 0.00 0.00 178.15 179.42 1iud h ASN 349 N -0.51 0.78 0.50 1.72 4.21 -1.31 0.36 115.58 121.33 1iud h ASN 349 Ca 0.06 -0.02 -0.02 0.00 1.21 0.00 0.00 56.30 57.53 1iud h ASN 349 Cb 0.61 -0.19 0.00 0.00 -1.12 0.00 0.00 38.32 37.62 1iud h ASN 349 CO -0.32 0.56 -0.24 0.00 -1.29 0.00 0.00 177.43 176.14 1iud h ALA 350 N 1.57 -0.67 0.08 -0.83 0.00 -0.80 -0.88 119.26 117.74 1iud h ALA 350 Ca 0.26 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1iud h ALA 350 Cb -0.07 0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1iud h ALA 350 CO -0.06 -0.86 -0.04 0.00 0.00 0.00 0.00 179.25 178.28 1iud h ALA 351 N -0.20 -0.11 -0.20 0.00 0.00 -0.63 -2.97 119.26 115.15 1iud h ALA 351 Ca -0.07 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 54.77 1iud h ALA 351 Cb 0.53 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1iud h ALA 351 CO 0.11 -0.45 0.24 0.66 0.00 0.00 0.00 179.25 179.82 1iud h SER 352 N -0.34 0.00 0.00 0.00 4.64 -0.31 -3.46 113.55 114.08 1iud h SER 352 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1iud h SER 352 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1iud h SER 352 CO 0.02 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.59 1iud n GLY 353 N -1.39 0.05 0.30 -0.77 0.00 -0.76 -4.96 105.19 97.67 1iud n GLY 353 Ca 0.02 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.23 1iud n GLY 353 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1iud h ARG 354 N 3.97 0.00 -3.62 1.61 3.08 -1.45 -3.45 114.38 114.52 1iud h ARG 354 Ca 0.00 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.92 1iud h ARG 354 Cb 0.00 0.00 -0.18 0.00 0.08 0.00 0.00 29.97 29.87 1iud h ARG 354 CO 0.00 0.00 -0.46 -0.65 -1.07 0.00 0.00 179.97 177.79 1iud s GLN 355 N -3.86 0.60 0.88 0.04 -0.21 -0.97 -5.00 119.66 111.14 1iud s GLN 355 Ca -0.01 -0.60 -0.12 0.00 0.02 0.00 0.00 55.36 54.65 1iud s GLN 355 Cb 0.11 0.24 0.12 0.00 1.00 0.00 0.00 33.01 34.48 1iud s GLN 355 CO 0.48 -0.16 1.10 0.95 -2.12 0.00 0.00 175.29 175.54 1iud s THR 356 N -2.24 2.67 0.18 -0.19 -4.23 -1.26 -4.31 115.64 106.25 1iud s THR 356 Ca -0.08 0.22 -0.12 0.00 -1.18 0.00 0.00 61.69 60.53 1iud s THR 356 Cb -0.03 -2.81 0.09 0.00 1.34 0.00 0.00 72.50 71.09 1iud s THR 356 CO -0.02 -0.28 1.79 -0.37 -0.54 0.00 0.00 174.62 175.19 1iud h VAL 357 N -1.43 1.20 0.59 2.29 -1.51 -1.97 -1.11 116.25 114.31 1iud h VAL 357 Ca -0.49 -0.51 -0.03 0.00 -1.23 0.00 0.00 66.70 64.44 1iud h VAL 357 Cb 1.29 0.43 0.01 0.00 -2.13 0.00 0.00 31.29 30.88 1iud h VAL 357 CO 0.57 0.22 -0.28 0.44 -1.23 0.00 0.00 177.57 177.28 1iud h ASP 358 N 0.82 -0.67 -0.90 4.19 5.19 -1.97 -1.54 116.42 121.55 1iud h ASP 358 Ca 0.21 -0.01 0.17 0.00 -0.62 0.00 0.00 57.03 56.78 1iud h ASP 358 Cb 0.05 0.17 -0.10 0.00 0.18 0.00 0.00 39.33 39.63 1iud h ASP 358 CO -0.03 -0.28 0.48 1.05 -3.12 0.00 0.00 179.24 177.34 1iud h GLU 359 N -1.16 0.61 0.32 3.56 4.11 -1.93 -0.04 114.58 120.05 1iud h GLU 359 Ca -0.08 -0.04 -0.02 0.00 0.07 0.00 0.00 59.36 59.30 1iud h GLU 359 Cb 0.64 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1iud h GLU 359 CO 0.13 0.40 -0.16 0.00 0.07 0.00 0.00 179.01 179.46 1iud h ALA 360 N 1.61 -0.44 -0.41 1.06 0.00 -1.17 -1.89 119.26 118.02 1iud h ALA 360 Ca 0.51 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 55.21 1iud h ALA 360 Cb 0.79 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1iud h ALA 360 CO -0.40 -0.74 -0.18 -0.07 0.00 0.00 0.00 179.25 177.86 1iud h LEU 361 N -0.44 0.88 -1.47 0.00 3.38 -0.59 -2.48 115.31 114.59 1iud h LEU 361 Ca -0.04 -0.40 -0.05 0.00 0.09 0.00 0.00 57.88 57.48 1iud h LEU 361 Cb 0.34 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1iud h LEU 361 CO 0.07 1.08 -0.14 0.50 0.09 0.00 0.00 178.44 180.04 1iud h LYS 362 N 0.67 0.18 0.16 1.13 3.11 -1.00 -0.93 116.57 119.89 1iud h LYS 362 Ca 0.09 -0.04 -0.01 0.00 -2.81 0.00 0.00 60.65 57.89 1iud h LYS 362 Cb 0.74 -0.03 0.00 0.00 -1.00 0.00 0.00 32.23 31.94 1iud h LYS 362 CO 0.06 0.32 -0.08 -0.44 -2.81 0.00 0.00 179.45 176.50 1iud h ASP 363 N 0.17 -0.19 -0.05 4.20 5.19 -1.15 -1.84 116.42 122.76 1iud h ASP 363 Ca 0.03 -0.19 0.03 0.00 -0.62 0.00 0.00 57.03 56.29 1iud h ASP 363 Cb 0.35 0.05 -0.04 0.00 0.18 0.00 0.00 39.33 39.87 1iud h ASP 363 CO 0.02 0.09 -0.20 0.00 -3.12 0.00 0.00 179.24 176.03 1iud h ALA 364 N 0.32 -0.21 -0.51 3.45 0.00 -0.98 -1.29 119.26 120.03 1iud h ALA 364 Ca -0.02 0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.96 1iud h ALA 364 Cb 0.36 0.36 -0.08 0.00 0.00 0.00 0.00 17.79 18.44 1iud h ALA 364 CO 0.04 -0.68 -0.50 0.37 0.00 0.00 0.00 179.25 178.48 1iud h GLN 365 N -0.29 -0.24 -0.76 0.00 5.75 -1.18 -0.52 115.11 117.86 1iud h GLN 365 Ca 0.07 0.02 0.14 0.00 -0.15 0.00 0.00 58.65 58.73 1iud h GLN 365 Cb 0.39 0.05 -0.05 0.00 1.07 0.00 0.00 27.48 28.95 1iud h GLN 365 CO -0.22 -0.16 0.51 1.15 -2.65 0.00 0.00 178.83 177.46 1iud h THR 366 N -0.25 0.82 0.00 2.39 2.02 -0.90 0.38 112.91 117.37 1iud h THR 366 Ca 0.09 -0.16 -0.07 0.00 0.77 0.00 0.00 66.41 67.03 1iud h THR 366 Cb 0.48 0.30 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 1iud h THR 366 CO -0.61 0.09 -0.33 0.03 0.37 0.00 0.00 175.52 175.06 1iud h ARG 367 N 0.48 0.00 0.18 6.66 3.08 0.04 -0.73 114.38 124.09 1iud h ARG 367 Ca 0.37 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 60.09 1iud h ARG 367 Cb 0.78 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.84 1iud h ARG 367 CO -0.13 0.33 -1.59 0.82 -1.07 0.00 0.00 179.97 178.33 1iud h ILE 368 N 0.00 1.12 0.00 2.04 2.04 0.68 -3.34 117.51 120.06 1iud h ILE 368 Ca -0.00 -2.68 0.00 0.00 1.00 0.00 0.00 64.86 63.18 1iud h ILE 368 Cb 0.78 2.84 0.00 0.00 -0.74 0.00 0.00 36.82 39.71 1iud h ILE 368 CO 0.04 0.84 -0.23 0.74 0.00 0.00 0.00 178.15 179.54 1iud h THR 369 N 0.10 0.00 0.00 -0.27 2.02 -0.99 -3.50 112.91 110.27 1iud h THR 369 Ca -0.28 -0.83 0.00 0.00 0.77 0.00 0.00 66.41 66.07 1iud h THR 369 Cb 2.09 1.71 0.00 0.00 -1.74 0.00 0.00 68.15 70.21 1iud h THR 369 CO 0.20 0.00 0.00 0.29 0.37 0.00 0.00 175.52 176.38