#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iae s ALA 2 N 0.00 3.03 0.30 0.00 0.00 -0.14 -1.08 121.76 123.88 1iae s ALA 2 Ca 0.00 -1.76 -0.29 0.00 0.00 0.00 0.00 51.96 49.91 1iae s ALA 2 Cb 0.00 -0.56 -0.10 0.00 0.00 0.00 0.00 23.12 22.45 1iae s ALA 2 CO 0.00 0.25 1.39 -1.50 0.00 0.00 0.00 175.76 175.90 1iae s ILE 3 N -2.41 2.60 0.15 0.00 2.07 0.03 -1.52 121.20 122.13 1iae s ILE 3 Ca 0.31 0.55 -0.30 0.00 -1.41 0.00 0.00 60.65 59.81 1iae s ILE 3 Cb -0.05 -3.35 -0.07 0.00 0.13 0.00 0.00 42.46 39.11 1iae s ILE 3 CO 0.18 0.11 1.12 -0.76 -1.91 0.00 0.00 174.94 173.68 1iae s LEU 4 N -1.22 4.46 0.00 8.50 1.43 -1.26 -4.70 118.68 125.89 1iae s LEU 4 Ca 0.54 2.07 0.00 0.00 -1.03 0.00 0.00 54.13 55.71 1iae s LEU 4 Cb -0.42 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.21 1iae s LEU 4 CO 0.50 -0.27 0.00 0.61 0.23 0.00 0.00 176.35 177.42 1iae n GLY 5 N 2.29 1.65 0.07 -3.19 0.00 -1.26 -4.89 105.19 99.86 1iae n GLY 5 Ca 0.04 -0.99 0.10 0.00 0.00 0.00 0.00 46.02 45.17 1iae n GLY 5 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1iae n ASP 6 N 0.00 0.37 0.16 1.61 8.00 -1.26 -2.74 116.55 122.69 1iae n ASP 6 Ca 0.00 0.59 0.13 0.00 0.71 0.00 0.00 54.79 56.22 1iae n ASP 6 Cb 0.00 -0.67 0.57 0.00 -0.02 0.00 0.00 41.12 41.00 1iae n ASP 6 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1iae h GLU 7 N 0.00 0.00 -0.30 -1.24 3.07 -1.98 -2.43 114.58 111.69 1iae h GLU 7 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1iae h GLU 7 Cb 0.31 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.22 1iae h GLU 7 CO 0.00 0.00 0.00 0.66 -1.40 0.00 0.00 179.01 178.27 1iae n TYR 8 N -2.36 0.38 -3.10 4.33 4.01 -1.11 -4.89 117.16 114.42 1iae n TYR 8 Ca 0.01 -0.21 -0.33 0.00 -0.16 0.00 0.00 57.90 57.21 1iae n TYR 8 Cb 0.17 -0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.14 1iae n TYR 8 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1iae s LEU 9 N -1.47 4.09 -0.33 7.72 1.43 -0.92 -0.36 118.68 128.85 1iae s LEU 9 Ca 0.34 1.35 -0.29 0.00 -1.03 0.00 0.00 54.13 54.49 1iae s LEU 9 Cb 0.20 -4.06 0.01 0.00 0.03 0.00 0.00 46.19 42.38 1iae s LEU 9 CO 0.29 -0.19 1.20 0.26 0.23 0.00 0.00 176.35 178.14 1iae s TRP 10 N -1.94 2.88 0.05 0.29 0.52 -1.26 -4.77 118.94 114.71 1iae s TRP 10 Ca 0.53 0.98 -0.36 0.00 0.02 0.00 0.00 56.10 57.27 1iae s TRP 10 Cb -0.11 -3.89 -0.15 0.00 -1.15 0.00 0.00 33.47 28.17 1iae s TRP 10 CO 0.18 -1.30 1.55 0.45 0.02 0.00 0.00 176.95 177.85 1iae n SER 11 N 7.37 2.56 0.00 2.95 2.88 -1.26 -0.88 113.62 127.24 1iae n SER 11 Ca 0.13 1.08 0.00 0.00 -1.33 0.00 0.00 58.87 58.75 1iae n SER 11 Cb 0.47 -1.30 0.00 0.00 -0.75 0.00 0.00 64.21 62.63 1iae n SER 11 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1iae n GLY 12 N 3.32 1.64 2.21 0.46 0.00 -1.25 -2.36 105.19 109.21 1iae n GLY 12 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1iae n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iae n GLY 13 N -2.00 0.40 3.68 -0.02 0.00 -0.06 -4.46 105.19 102.73 1iae n GLY 13 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1iae n GLY 13 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iae s VAL 14 N -1.81 5.16 -0.34 1.61 1.01 -0.99 -1.20 120.40 123.84 1iae s VAL 14 Ca 0.00 0.85 0.01 0.00 0.00 0.00 0.00 61.98 62.84 1iae s VAL 14 Cb 0.00 -3.79 0.09 0.00 0.00 0.00 0.00 36.38 32.68 1iae s VAL 14 CO 0.00 0.23 0.06 -0.63 0.00 0.00 0.00 175.10 174.76 1iae s ILE 15 N 1.34 2.65 0.29 2.22 1.01 0.45 -4.54 121.20 124.62 1iae s ILE 15 Ca 0.22 -2.02 -0.29 0.00 0.00 0.00 0.00 60.65 58.56 1iae s ILE 15 Cb -0.15 -2.79 -0.10 0.00 0.01 0.00 0.00 42.46 39.43 1iae s ILE 15 CO 0.09 -0.47 1.22 -2.84 0.00 0.00 0.00 174.94 172.94 1iae s PRO 16 N 1.05 4.48 0.06 2.79 0.02 -1.26 -1.36 135.00 140.78 1iae s PRO 16 Ca 0.05 2.02 0.02 0.00 0.02 0.00 0.00 61.00 63.11 1iae s PRO 16 Cb -0.20 -3.14 -0.03 0.00 0.02 0.00 0.00 34.50 31.15 1iae s PRO 16 CO -0.05 -0.03 -0.08 1.52 -0.33 0.00 0.00 177.00 178.03 1iae s TYR 17 N -0.97 0.74 0.25 6.54 -0.85 0.09 -0.55 117.35 122.61 1iae s TYR 17 Ca 0.48 -0.61 0.11 0.00 -0.52 0.00 0.00 57.07 56.53 1iae s TYR 17 Cb -0.36 -0.44 -0.05 0.00 0.38 0.00 0.00 41.96 41.49 1iae s TYR 17 CO 0.46 -0.10 -0.20 0.95 -1.52 0.00 0.00 175.55 175.14 1iae s THR 18 N -1.98 2.35 -0.23 -3.49 -4.23 0.53 -1.54 115.64 107.05 1iae s THR 18 Ca -0.04 -2.29 -0.08 0.00 -1.18 0.00 0.00 61.69 58.11 1iae s THR 18 Cb -0.06 -2.22 -0.03 0.00 1.34 0.00 0.00 72.50 71.53 1iae s THR 18 CO -0.01 -0.36 0.08 -0.36 -0.54 0.00 0.00 174.62 173.44 1iae s PHE 19 N -2.35 3.14 -0.63 3.99 0.08 -1.26 -1.46 117.98 119.47 1iae s PHE 19 Ca 0.27 -0.24 -0.11 0.00 0.12 0.00 0.00 56.93 56.97 1iae s PHE 19 Cb -0.05 -2.21 0.16 0.00 -0.57 0.00 0.00 43.02 40.35 1iae s PHE 19 CO 0.13 -0.21 0.54 0.00 -0.10 0.00 0.00 175.22 175.58 1iae s ALA 20 N 1.31 3.72 -0.54 5.36 0.00 -0.36 -4.69 121.76 126.56 1iae s ALA 20 Ca 0.05 -2.93 -0.03 0.00 0.00 0.00 0.00 51.96 49.05 1iae s ALA 20 Cb -0.15 -3.13 0.00 0.00 0.00 0.00 0.00 23.12 19.85 1iae s ALA 20 CO 0.04 -2.09 0.46 0.41 0.00 0.00 0.00 175.76 174.58 1iae n GLY 21 N 4.41 0.28 3.60 0.00 0.00 -1.26 -4.42 105.19 107.80 1iae n GLY 21 Ca 0.01 -0.28 -0.34 0.00 0.00 0.00 0.00 46.02 45.41 1iae n GLY 21 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iae s VAL 22 N -3.14 4.43 0.89 1.61 1.01 -1.26 -4.66 120.40 119.29 1iae s VAL 22 Ca 0.18 -0.17 -0.10 0.00 0.00 0.00 0.00 61.98 61.88 1iae s VAL 22 Cb -0.08 -2.96 0.13 0.00 0.00 0.00 0.00 36.38 33.48 1iae s VAL 22 CO 0.30 0.50 1.14 -0.94 0.00 0.00 0.00 175.10 176.09 1iae s SER 23 N 0.16 3.14 0.25 3.32 1.04 -1.26 -4.75 113.70 115.61 1iae s SER 23 Ca 0.02 2.14 -0.04 0.00 0.48 0.00 0.00 55.95 58.55 1iae s SER 23 Cb -0.13 -2.56 0.29 0.00 0.10 0.00 0.00 66.02 63.72 1iae s SER 23 CO 0.01 -2.96 1.83 1.23 0.98 0.00 0.00 173.24 174.34 1iae h GLY 24 N -1.76 1.14 1.61 7.32 0.00 -1.98 -0.16 103.07 109.24 1iae h GLY 24 Ca -0.43 -0.59 -0.09 0.00 0.00 0.00 0.00 47.33 46.22 1iae h GLY 24 CO 0.43 0.56 -0.24 0.00 0.00 0.00 0.00 176.54 177.29 1iae h ALA 25 N 1.29 1.14 -0.14 3.60 0.00 -1.99 -1.35 119.26 121.80 1iae h ALA 25 Ca 0.24 -0.33 -0.16 0.00 0.00 0.00 0.00 54.91 54.66 1iae h ALA 25 Cb 0.18 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.85 1iae h ALA 25 CO -0.02 0.54 -0.55 -0.44 0.00 0.00 0.00 179.25 178.78 1iae h ASP 26 N 0.41 0.73 -0.94 0.00 3.32 -1.78 -2.16 116.42 116.01 1iae h ASP 26 Ca 0.06 -0.62 0.07 0.00 0.02 0.00 0.00 57.03 56.57 1iae h ASP 26 Cb 0.64 -0.21 -0.06 0.00 0.22 0.00 0.00 39.33 39.91 1iae h ASP 26 CO 0.05 1.22 0.61 1.56 -1.72 0.00 0.00 179.24 180.96 1iae h GLN 27 N 0.28 1.02 -0.67 3.56 4.20 -0.97 -0.16 115.11 122.37 1iae h GLN 27 Ca -0.03 -0.06 -0.08 0.00 0.06 0.00 0.00 58.65 58.54 1iae h GLN 27 Cb 1.18 -0.23 -0.03 0.00 0.30 0.00 0.00 27.48 28.71 1iae h GLN 27 CO 0.12 0.67 0.09 0.77 -0.67 0.00 0.00 178.83 179.81 1iae h SER 28 N 1.05 1.08 -0.46 1.46 0.02 -1.08 -0.71 113.55 114.91 1iae h SER 28 Ca 0.41 -0.27 -0.12 0.00 -0.84 0.00 0.00 61.79 60.97 1iae h SER 28 Cb 0.24 -0.29 -0.02 0.00 0.14 0.00 0.00 62.40 62.47 1iae h SER 28 CO -0.16 1.08 -0.18 0.00 -1.14 0.00 0.00 176.83 176.43 1iae h ALA 29 N 1.04 0.77 -0.10 3.77 0.00 -0.80 -2.55 119.26 121.39 1iae h ALA 29 Ca 0.20 -0.37 -0.18 0.00 0.00 0.00 0.00 54.91 54.56 1iae h ALA 29 Cb 0.47 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1iae h ALA 29 CO 0.02 0.66 -0.69 0.82 0.00 0.00 0.00 179.25 180.06 1iae h ILE 30 N 0.84 1.36 -0.10 0.00 2.04 -0.85 -2.27 117.51 118.52 1iae h ILE 30 Ca 0.12 -2.05 -0.09 0.00 1.00 0.00 0.00 64.86 63.84 1iae h ILE 30 Cb 0.74 2.03 -0.01 0.00 -0.74 0.00 0.00 36.82 38.84 1iae h ILE 30 CO 0.06 0.62 -0.33 -0.07 0.00 0.00 0.00 178.15 178.43 1iae h LEU 31 N 0.32 0.20 -0.58 1.44 3.38 -1.11 -1.29 115.31 117.68 1iae h LEU 31 Ca -0.02 -0.07 -0.11 0.00 0.09 0.00 0.00 57.88 57.76 1iae h LEU 31 Cb 1.26 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.94 1iae h LEU 31 CO 0.12 0.53 -0.11 0.28 0.09 0.00 0.00 178.44 179.35 1iae h SER 32 N 0.18 1.02 -0.39 -0.43 0.02 -1.07 0.11 113.55 112.99 1iae h SER 32 Ca 0.02 -0.34 0.02 0.00 -0.84 0.00 0.00 61.79 60.66 1iae h SER 32 Cb 0.67 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.91 1iae h SER 32 CO 0.05 1.13 0.22 1.23 -1.14 0.00 0.00 176.83 178.32 1iae h GLY 33 N 0.94 0.54 1.12 -3.77 0.00 -0.97 -2.44 103.07 98.49 1iae h GLY 33 Ca 0.14 -0.16 0.04 0.00 0.00 0.00 0.00 47.33 47.35 1iae h GLY 33 CO 0.05 0.13 0.50 -0.33 0.00 0.00 0.00 176.54 176.89 1iae h MET 34 N 0.44 0.87 -0.46 4.80 2.07 -0.88 -2.85 114.93 118.93 1iae h MET 34 Ca 0.16 -0.05 -0.05 0.00 -2.07 0.00 0.00 59.70 57.69 1iae h MET 34 Cb 0.03 -0.20 -0.02 0.00 -1.87 0.00 0.00 31.60 29.54 1iae h MET 34 CO -0.09 0.58 0.11 0.37 1.07 0.00 0.00 176.91 178.95 1iae h GLN 35 N 0.90 0.74 -0.59 1.72 4.15 -0.49 -0.72 115.11 120.82 1iae h GLN 35 Ca 0.30 -0.18 0.07 0.00 0.77 0.00 0.00 58.65 59.61 1iae h GLN 35 Cb 0.08 -0.10 -0.06 0.00 0.21 0.00 0.00 27.48 27.62 1iae h GLN 35 CO -0.09 0.73 0.27 1.49 -1.93 0.00 0.00 178.83 179.31 1iae h GLU 36 N 0.61 0.49 -0.93 1.69 4.81 -1.32 0.21 114.58 120.14 1iae h GLU 36 Ca 0.14 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 1iae h GLU 36 Cb 0.33 -0.11 -0.05 0.00 0.63 0.00 0.00 28.75 29.55 1iae h GLU 36 CO 0.00 0.33 0.59 -0.07 -0.73 0.00 0.00 179.01 179.13 1iae h LEU 37 N 0.51 1.08 -0.24 1.64 3.38 -1.16 -2.16 115.31 118.37 1iae h LEU 37 Ca 0.28 -0.04 -0.16 0.00 0.09 0.00 0.00 57.88 58.05 1iae h LEU 37 Cb 0.25 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1iae h LEU 37 CO -0.22 0.80 -0.74 -0.33 0.09 0.00 0.00 178.44 178.03 1iae h GLU 38 N 1.26 0.00 -0.19 1.13 5.08 -0.59 0.61 114.58 121.88 1iae h GLU 38 Ca 0.34 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.57 1iae h GLU 38 Cb -0.11 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 1iae h GLU 38 CO -0.07 0.74 -0.41 0.93 -1.00 0.00 0.00 179.01 179.21 1iae h GLU 39 N 0.00 0.45 0.00 2.33 5.08 -0.65 -3.33 114.58 118.45 1iae h GLU 39 Ca -0.01 -0.22 -0.03 0.00 -1.00 0.00 0.00 59.36 58.10 1iae h GLU 39 Cb 1.46 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.71 1iae h GLU 39 CO 0.10 0.78 -1.94 1.63 -1.00 0.00 0.00 179.01 178.58 1iae n LYS 40 N -4.02 0.66 -4.39 2.33 5.02 -0.84 -5.00 118.16 111.91 1iae n LYS 40 Ca -0.02 -0.16 -0.20 0.00 -2.02 0.00 0.00 58.31 55.92 1iae n LYS 40 Cb 0.50 -1.55 -0.10 0.00 -0.02 0.00 0.00 35.03 33.87 1iae n LYS 40 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1iae s THR 41 N -3.43 0.79 -1.93 -0.18 -4.23 0.19 -4.85 115.64 102.00 1iae s THR 41 Ca -0.07 -2.00 0.30 0.00 -1.18 0.00 0.00 61.69 58.74 1iae s THR 41 Cb 0.13 -2.66 0.65 0.00 1.34 0.00 0.00 72.50 71.97 1iae s THR 41 CO 0.89 0.00 2.00 0.00 -0.54 0.00 0.00 174.62 176.97 1iae s ILE 43 N -2.21 2.90 -0.10 0.00 -1.09 -1.26 -4.85 121.20 114.60 1iae s ILE 43 Ca 0.38 0.76 0.01 0.00 -2.23 0.00 0.00 60.65 59.56 1iae s ILE 43 Cb 0.21 -3.48 0.02 0.00 -1.58 0.00 0.00 42.46 37.63 1iae s ILE 43 CO 0.41 0.12 -0.11 -0.13 -1.23 0.00 0.00 174.94 174.00 1iae s ARG 44 N -0.31 1.72 -0.15 2.79 1.81 -0.34 -4.32 118.95 120.16 1iae s ARG 44 Ca 0.58 -0.37 -0.17 0.00 -1.72 0.00 0.00 55.73 54.04 1iae s ARG 44 Cb -0.39 -1.58 -0.04 0.00 -0.45 0.00 0.00 34.95 32.48 1iae s ARG 44 CO 0.41 -0.12 0.44 -0.06 -0.68 0.00 0.00 175.30 175.29 1iae s PHE 45 N 1.19 3.47 0.01 -0.53 0.08 -1.26 -0.41 117.98 120.53 1iae s PHE 45 Ca -0.04 0.79 0.05 0.00 0.12 0.00 0.00 56.93 57.84 1iae s PHE 45 Cb -0.14 -2.53 -0.02 0.00 -0.57 0.00 0.00 43.02 39.77 1iae s PHE 45 CO -0.03 0.12 -0.14 0.14 -0.10 0.00 0.00 175.22 175.21 1iae s VAL 46 N 0.81 1.12 0.02 -0.44 -7.23 -0.46 -4.94 120.40 109.28 1iae s VAL 46 Ca 0.23 -0.77 -0.32 0.00 -1.81 0.00 0.00 61.98 59.31 1iae s VAL 46 Cb -0.15 -0.97 -0.11 0.00 0.56 0.00 0.00 36.38 35.71 1iae s VAL 46 CO 0.09 0.19 1.85 -2.65 -0.31 0.00 0.00 175.10 174.27 1iae n PRO 47 N 2.38 2.48 -1.94 4.82 -0.02 -1.26 -0.73 135.00 140.73 1iae n PRO 47 Ca -0.16 0.91 -0.41 0.00 -2.02 0.00 0.00 63.50 61.81 1iae n PRO 47 Cb 0.55 -2.78 -0.02 0.00 -0.02 0.00 0.00 33.50 31.23 1iae n PRO 47 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1iae s ARG 48 N 3.44 4.22 0.00 -0.52 3.00 -0.59 -4.75 118.95 123.76 1iae s ARG 48 Ca 0.88 2.38 0.00 0.00 -1.00 0.00 0.00 55.73 57.98 1iae s ARG 48 Cb -0.58 -3.09 0.00 0.00 0.00 0.00 0.00 34.95 31.28 1iae s ARG 48 CO 0.44 -0.49 0.00 0.25 0.00 0.00 0.00 175.30 175.50 1iae n THR 49 N 2.42 0.00 0.73 4.11 -2.24 -1.26 -4.95 114.28 113.09 1iae n THR 49 Ca 0.08 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.93 1iae n THR 49 Cb 0.39 -0.82 -0.06 0.00 -2.10 0.00 0.00 70.33 67.74 1iae n THR 49 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1iae n THR 50 N -1.99 0.00 -2.28 4.28 -2.24 -1.26 -5.01 114.28 105.78 1iae n THR 50 Ca 0.00 -0.19 -0.41 0.00 -2.27 0.00 0.00 64.05 61.18 1iae n THR 50 Cb 0.00 1.06 -0.03 0.00 -2.10 0.00 0.00 70.33 69.26 1iae n THR 50 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1iae s GLU 51 N -2.30 4.46 0.20 -0.78 8.01 -1.26 -4.93 118.70 122.11 1iae s GLU 51 Ca 0.08 2.01 0.11 0.00 0.01 0.00 0.00 54.97 57.19 1iae s GLU 51 Cb 0.12 -3.16 -0.06 0.00 -4.31 0.00 0.00 34.13 26.72 1iae s GLU 51 CO 0.57 -0.08 1.37 0.66 0.01 0.00 0.00 175.26 177.79 1iae h SER 52 N 4.28 0.00 -3.62 -0.19 4.64 -1.94 -3.42 113.55 113.29 1iae h SER 52 Ca -0.47 0.00 -0.65 0.00 -0.47 0.00 0.00 61.79 60.21 1iae h SER 52 Cb 1.22 0.00 -0.23 0.00 -0.31 0.00 0.00 62.40 63.08 1iae h SER 52 CO 0.70 0.74 -0.63 -1.81 -0.87 0.00 0.00 176.83 174.96 1iae s ASP 53 N -6.58 5.11 0.27 4.97 1.01 -1.26 -3.30 116.67 116.89 1iae s ASP 53 Ca 0.03 -0.21 -0.21 0.00 0.71 0.00 0.00 52.55 52.87 1iae s ASP 53 Cb 0.09 -1.92 0.02 0.00 1.01 0.00 0.00 42.92 42.12 1iae s ASP 53 CO 0.78 -0.03 0.70 -0.72 0.21 0.00 0.00 175.17 176.11 1iae s TYR 54 N 1.57 -0.17 -0.22 4.23 1.13 -1.09 -4.62 117.35 118.19 1iae s TYR 54 Ca 0.06 -0.27 -0.11 0.00 -1.41 0.00 0.00 57.07 55.34 1iae s TYR 54 Cb -0.15 0.67 -0.05 0.00 -1.10 0.00 0.00 41.96 41.33 1iae s TYR 54 CO 0.03 -1.20 0.17 0.08 -2.51 0.00 0.00 175.55 172.13 1iae s VAL 55 N -3.92 5.36 -0.40 -3.49 1.01 0.29 -1.42 120.40 117.83 1iae s VAL 55 Ca 0.11 0.24 -0.10 0.00 0.00 0.00 0.00 61.98 62.23 1iae s VAL 55 Cb -0.05 -3.51 0.05 0.00 0.00 0.00 0.00 36.38 32.86 1iae s VAL 55 CO 0.06 0.36 0.23 -0.70 0.00 0.00 0.00 175.10 175.06 1iae s GLU 56 N 0.88 2.72 -0.19 2.72 2.12 0.70 -0.35 118.70 127.31 1iae s GLU 56 Ca 0.09 -1.26 -0.19 0.00 0.36 0.00 0.00 54.97 53.97 1iae s GLU 56 Cb -0.13 -3.76 -0.03 0.00 0.26 0.00 0.00 34.13 30.47 1iae s GLU 56 CO 0.03 -0.82 0.53 0.42 -0.54 0.00 0.00 175.26 174.87 1iae s ILE 57 N 1.49 5.11 0.03 -3.70 1.01 -0.54 -0.87 121.20 123.73 1iae s ILE 57 Ca 0.02 0.98 -0.01 0.00 0.00 0.00 0.00 60.65 61.64 1iae s ILE 57 Cb -0.21 -3.85 -0.02 0.00 0.01 0.00 0.00 42.46 38.39 1iae s ILE 57 CO 0.05 0.19 -0.00 0.72 0.00 0.00 0.00 174.94 175.89 1iae s PHE 58 N 1.53 0.31 -0.70 3.97 -0.71 -0.89 -1.23 117.98 120.26 1iae s PHE 58 Ca 0.25 -0.65 0.07 0.00 -1.04 0.00 0.00 56.93 55.56 1iae s PHE 58 Cb -0.15 -0.23 0.12 0.00 -1.21 0.00 0.00 43.02 41.55 1iae s PHE 58 CO 0.10 -0.27 0.94 0.25 -1.34 0.00 0.00 175.22 174.90 1iae n THR 59 N 1.09 0.52 1.10 -4.49 -2.24 -1.26 -1.25 114.28 107.75 1iae n THR 59 Ca -0.21 -0.76 0.12 0.00 -2.27 0.00 0.00 64.05 60.93 1iae n THR 59 Cb 0.57 0.81 0.15 0.00 -2.10 0.00 0.00 70.33 69.76 1iae n THR 59 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1iae n SER 60 N 0.24 2.21 -2.51 3.42 3.41 -1.26 -1.08 113.62 118.05 1iae n SER 60 Ca 0.06 -1.63 0.00 0.00 -0.26 0.00 0.00 58.87 57.04 1iae n SER 60 Cb 0.27 0.19 0.00 0.00 -0.26 0.00 0.00 64.21 64.40 1iae n SER 60 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1iae n GLY 61 N 1.35 0.63 2.87 5.00 0.00 -1.26 -5.03 105.19 108.75 1iae n GLY 61 Ca 0.13 -1.60 -0.27 0.00 0.00 0.00 0.00 46.02 44.28 1iae n GLY 61 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1iae s SER 62 N -1.00 2.33 0.00 1.61 0.15 -1.26 -4.74 113.70 110.79 1iae s SER 62 Ca 0.00 -0.41 0.00 0.00 0.70 0.00 0.00 55.95 56.24 1iae s SER 62 Cb 0.00 -0.79 0.00 0.00 -1.71 0.00 0.00 66.02 63.52 1iae s SER 62 CO 0.00 -0.16 0.00 0.61 1.20 0.00 0.00 173.24 174.89 1iae n GLY 63 N 4.96 -0.76 3.34 9.45 0.00 -1.26 -4.91 105.19 116.02 1iae n GLY 63 Ca -0.11 -1.69 -0.36 0.00 0.00 0.00 0.00 46.02 43.85 1iae n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iae s TRP 65 N 1.50 -0.19 -0.12 0.00 1.48 -0.62 -5.00 118.94 115.99 1iae s TRP 65 Ca 0.04 -0.15 -0.30 0.00 -1.06 0.00 0.00 56.10 54.63 1iae s TRP 65 Cb -0.16 0.47 0.08 0.00 -1.16 0.00 0.00 33.47 32.71 1iae s TRP 65 CO 0.00 -0.96 0.77 0.45 -4.06 0.00 0.00 176.95 173.15 1iae s SER 66 N -2.86 -0.61 0.83 -2.66 0.15 -1.26 -1.52 113.70 105.78 1iae s SER 66 Ca 0.08 0.77 -0.11 0.00 0.70 0.00 0.00 55.95 57.40 1iae s SER 66 Cb -0.02 0.65 0.09 0.00 -1.71 0.00 0.00 66.02 65.03 1iae s SER 66 CO -0.03 -0.48 1.09 -0.31 1.20 0.00 0.00 173.24 174.71 1iae s TYR 67 N -0.87 2.48 -0.30 3.44 2.02 -1.26 -4.87 117.35 117.99 1iae s TYR 67 Ca -0.07 1.37 -0.11 0.00 -0.37 0.00 0.00 57.07 57.89 1iae s TYR 67 Cb -0.01 -3.10 -0.04 0.00 -0.40 0.00 0.00 41.96 38.41 1iae s TYR 67 CO 0.06 -2.08 0.20 0.08 -1.57 0.00 0.00 175.55 172.24 1iae s VAL 68 N -2.94 5.22 0.01 0.71 1.01 -1.26 -2.91 120.40 120.24 1iae s VAL 68 Ca 0.62 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.60 1iae s VAL 68 Cb -0.17 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 32.65 1iae s VAL 68 CO 0.56 0.16 0.00 0.61 0.00 0.00 0.00 175.10 176.44 1iae n GLY 69 N 5.06 -2.23 3.59 4.51 0.00 -0.63 -4.71 105.19 110.79 1iae n GLY 69 Ca -0.14 -1.51 -0.43 0.00 0.00 0.00 0.00 46.02 43.94 1iae n GLY 69 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1iae s ARG 70 N -0.93 3.72 0.00 1.61 3.52 0.52 -4.80 118.95 122.58 1iae s ARG 70 Ca 0.00 0.50 0.25 0.00 -0.13 0.00 0.00 55.73 56.35 1iae s ARG 70 Cb 0.00 -3.88 0.50 0.00 -1.56 0.00 0.00 34.95 30.01 1iae s ARG 70 CO 0.00 -1.22 1.42 0.44 -0.81 0.00 0.00 175.30 175.13 1iae n ILE 71 N 6.49 0.00 -0.35 4.11 -5.35 -1.26 -4.59 119.36 118.41 1iae n ILE 71 Ca 0.09 -0.33 0.00 0.00 -0.27 0.00 0.00 62.75 62.24 1iae n ILE 71 Cb 0.48 1.00 0.00 0.00 -1.74 0.00 0.00 39.64 39.39 1iae n ILE 71 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1iae n SER 72 N 0.49 -2.26 -0.11 7.28 3.41 -1.26 -5.08 113.62 116.09 1iae n SER 72 Ca 0.14 0.35 0.00 0.00 -0.26 0.00 0.00 58.87 59.10 1iae n SER 72 Cb 0.47 -0.31 -0.00 0.00 -0.26 0.00 0.00 64.21 64.10 1iae n SER 72 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1iae n GLY 73 N -1.37 -2.05 3.70 5.00 0.00 -1.23 -4.75 105.19 104.49 1iae n GLY 73 Ca 0.00 -1.41 -0.42 0.00 0.00 0.00 0.00 46.02 44.18 1iae n GLY 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iae s ALA 74 N -1.10 3.49 -0.04 4.61 0.00 -1.21 -2.66 121.76 124.85 1iae s ALA 74 Ca 0.00 0.77 0.05 0.00 0.00 0.00 0.00 51.96 52.78 1iae s ALA 74 Cb 0.00 -3.52 -0.01 0.00 0.00 0.00 0.00 23.12 19.60 1iae s ALA 74 CO 0.00 -0.71 -0.20 1.14 0.00 0.00 0.00 175.76 176.00 1iae s GLN 75 N 1.91 1.95 0.25 0.00 -2.07 -0.51 -4.96 119.66 116.23 1iae s GLN 75 Ca 0.59 -0.70 -0.21 0.00 -1.82 0.00 0.00 55.36 53.22 1iae s GLN 75 Cb -0.28 -1.71 -0.09 0.00 -1.09 0.00 0.00 33.01 29.84 1iae s GLN 75 CO 0.25 0.31 0.78 -0.65 -1.32 0.00 0.00 175.29 174.66 1iae s GLN 76 N -0.10 4.32 -0.24 9.60 -0.21 -1.26 -0.21 119.66 131.56 1iae s GLN 76 Ca -0.02 0.97 0.01 0.00 0.02 0.00 0.00 55.36 56.34 1iae s GLN 76 Cb -0.11 -2.83 0.04 0.00 1.00 0.00 0.00 33.01 31.10 1iae s GLN 76 CO 0.02 0.35 -0.10 0.08 -2.12 0.00 0.00 175.29 173.52 1iae s VAL 77 N -1.58 2.47 -0.24 1.09 1.01 -0.05 -4.28 120.40 118.83 1iae s VAL 77 Ca 0.45 -1.24 -0.20 0.00 0.00 0.00 0.00 61.98 60.99 1iae s VAL 77 Cb -0.17 -2.29 -0.02 0.00 0.00 0.00 0.00 36.38 33.90 1iae s VAL 77 CO 0.21 0.17 0.63 -0.55 0.00 0.00 0.00 175.10 175.56 1iae s SER 78 N 1.24 6.61 -0.52 3.32 0.15 -0.57 -2.10 113.70 121.82 1iae s SER 78 Ca -0.02 0.74 0.04 0.00 0.70 0.00 0.00 55.95 57.41 1iae s SER 78 Cb -0.17 -2.34 0.14 0.00 -1.71 0.00 0.00 66.02 61.94 1iae s SER 78 CO -0.06 -0.34 0.31 -0.76 1.20 0.00 0.00 173.24 173.59 1iae s LEU 79 N 2.31 3.69 0.09 3.45 1.43 -0.38 -1.60 118.68 127.66 1iae s LEU 79 Ca 0.27 -3.06 -0.37 0.00 -1.03 0.00 0.00 54.13 49.94 1iae s LEU 79 Cb -0.16 -1.36 -0.17 0.00 0.03 0.00 0.00 46.19 44.54 1iae s LEU 79 CO 0.09 -0.21 1.33 1.67 0.23 0.00 0.00 176.35 179.46 1iae n GLN 80 N 3.01 1.15 -0.12 1.70 7.27 -1.12 -4.19 117.38 125.08 1iae n GLN 80 Ca 0.11 0.42 -0.05 0.00 0.07 0.00 0.00 57.00 57.55 1iae n GLN 80 Cb 0.34 -2.05 0.02 0.00 2.41 0.00 0.00 30.24 30.96 1iae n GLN 80 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1iae h ALA 81 N 4.51 0.30 -2.67 1.69 0.00 -1.42 -1.22 119.26 120.45 1iae h ALA 81 Ca -0.47 0.15 -0.74 0.00 0.00 0.00 0.00 54.91 53.84 1iae h ALA 81 Cb 1.34 0.28 -0.29 0.00 0.00 0.00 0.00 17.79 19.11 1iae h ALA 81 CO 0.77 -0.44 -0.29 -0.80 0.00 0.00 0.00 179.25 178.50 1iae s ASN 82 N -5.23 5.87 0.00 0.00 0.01 -1.26 -4.39 114.94 109.94 1iae s ASN 82 Ca -0.14 -2.15 0.00 0.00 -0.71 0.00 0.00 52.86 49.86 1iae s ASN 82 Cb 0.14 -2.05 0.00 0.00 0.41 0.00 0.00 41.25 39.76 1iae s ASN 82 CO 0.71 -0.65 0.00 0.61 -1.51 0.00 0.00 177.10 176.26 1iae n GLY 83 N 4.61 1.02 0.00 0.66 0.00 -1.21 -4.99 105.19 105.28 1iae n GLY 83 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1iae n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iae n VAL 85 N -0.77 3.44 -4.75 0.00 0.31 -1.25 -4.28 118.33 111.03 1iae n VAL 85 Ca 0.00 -2.88 -0.25 0.00 -0.01 0.00 0.00 64.34 61.21 1iae n VAL 85 Cb 0.00 -2.59 -0.15 0.00 -0.91 0.00 0.00 33.84 30.19 1iae n VAL 85 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 1iae s TYR 86 N 3.20 1.61 0.22 3.52 2.02 -1.26 -5.04 117.35 121.62 1iae s TYR 86 Ca 0.50 -0.33 -0.10 0.00 -0.37 0.00 0.00 57.07 56.77 1iae s TYR 86 Cb 0.14 -1.01 0.32 0.00 -0.40 0.00 0.00 41.96 41.02 1iae s TYR 86 CO -0.08 0.01 1.64 1.25 -1.57 0.00 0.00 175.55 176.81 1iae h HIS 87 N 5.40 -0.12 -0.14 2.71 2.76 -1.88 0.60 115.15 124.47 1iae h HIS 87 Ca -0.39 0.05 -0.20 0.00 -2.20 0.00 0.00 60.37 57.64 1iae h HIS 87 Cb 1.15 0.16 0.00 0.00 1.55 0.00 0.00 27.41 30.27 1iae h HIS 87 CO 0.44 -0.22 -0.70 0.78 -1.30 0.00 0.00 177.93 176.93 1iae h GLY 88 N 0.08 0.69 0.99 5.26 0.00 -1.71 -1.88 103.07 106.50 1iae h GLY 88 Ca 0.34 -0.92 -0.02 0.00 0.00 0.00 0.00 47.33 46.73 1iae h GLY 88 CO -0.60 0.82 0.27 -0.84 0.00 0.00 0.00 176.54 176.19 1iae h THR 89 N 0.44 1.21 -0.62 4.70 2.02 -1.42 -1.22 112.91 118.02 1iae h THR 89 Ca -0.03 -0.62 0.06 0.00 0.77 0.00 0.00 66.41 66.60 1iae h THR 89 Cb 1.30 0.53 -0.06 0.00 -1.74 0.00 0.00 68.15 68.18 1iae h THR 89 CO 0.14 0.25 0.32 0.40 0.37 0.00 0.00 175.52 176.99 1iae h ILE 90 N 0.80 0.92 -0.40 3.11 2.04 -0.70 -2.19 117.51 121.10 1iae h ILE 90 Ca 0.20 -0.20 -0.13 0.00 1.00 0.00 0.00 64.86 65.73 1iae h ILE 90 Cb 0.14 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 36.49 1iae h ILE 90 CO -0.02 0.11 -0.28 0.40 0.00 0.00 0.00 178.15 178.36 1iae h ILE 91 N 0.59 1.27 -0.02 -0.67 2.04 -1.18 -2.70 117.51 116.85 1iae h ILE 91 Ca 0.29 -1.43 0.02 0.00 1.00 0.00 0.00 64.86 64.74 1iae h ILE 91 Cb 0.22 1.26 -0.03 0.00 -0.74 0.00 0.00 36.82 37.53 1iae h ILE 91 CO -0.20 0.48 -0.12 -0.74 0.00 0.00 0.00 178.15 177.57 1iae h HIS 92 N 0.73 -0.31 -0.58 1.37 2.76 -0.71 0.12 115.15 118.53 1iae h HIS 92 Ca 0.09 0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 58.21 1iae h HIS 92 Cb 0.83 0.14 -0.02 0.00 1.55 0.00 0.00 27.41 29.90 1iae h HIS 92 CO 0.05 -0.18 0.15 0.93 -1.30 0.00 0.00 177.93 177.58 1iae h GLU 93 N -0.20 0.92 -0.16 5.26 4.39 -1.41 -1.73 114.58 121.65 1iae h GLU 93 Ca 0.05 -0.22 -0.11 0.00 0.34 0.00 0.00 59.36 59.43 1iae h GLU 93 Cb 0.26 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.77 1iae h GLU 93 CO -0.13 0.85 -0.37 -0.07 -1.16 0.00 0.00 179.01 178.12 1iae h LEU 94 N 0.83 0.35 -0.75 1.33 3.38 -1.26 -1.79 115.31 117.39 1iae h LEU 94 Ca 0.18 -0.14 -0.13 0.00 0.09 0.00 0.00 57.88 57.88 1iae h LEU 94 Cb 0.33 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1iae h LEU 94 CO 0.00 0.69 -0.57 -0.03 0.09 0.00 0.00 178.44 178.62 1iae h MET 95 N 0.29 0.16 0.19 1.13 4.05 -0.59 -0.29 114.93 119.87 1iae h MET 95 Ca 0.03 -0.10 0.01 0.00 -0.28 0.00 0.00 59.70 59.36 1iae h MET 95 Cb 0.79 0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 31.56 1iae h MET 95 CO 0.06 0.69 -0.38 0.45 0.23 0.00 0.00 176.91 177.96 1iae h HIS 96 N 0.12 -1.04 -0.89 1.39 3.86 -0.99 -2.52 115.15 115.09 1iae h HIS 96 Ca -0.00 0.02 0.13 0.00 -1.16 0.00 0.00 60.37 59.35 1iae h HIS 96 Cb 1.04 0.43 -0.07 0.00 1.06 0.00 0.00 27.41 29.87 1iae h HIS 96 CO 0.01 -0.49 0.57 0.00 0.86 0.00 0.00 177.93 178.88 1iae h ALA 97 N -0.14 1.76 -0.14 2.45 0.00 -0.82 -0.87 119.26 121.50 1iae h ALA 97 Ca 0.01 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1iae h ALA 97 Cb 0.65 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1iae h ALA 97 CO -0.18 0.02 0.03 0.82 0.00 0.00 0.00 179.25 179.94 1iae h ILE 98 N 0.76 1.08 0.00 0.00 2.04 -0.86 -2.59 117.51 117.94 1iae h ILE 98 Ca 0.44 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 66.03 1iae h ILE 98 Cb 0.61 0.94 0.00 0.00 -0.74 0.00 0.00 36.82 37.63 1iae h ILE 98 CO -0.20 0.09 0.00 0.61 0.00 0.00 0.00 178.15 178.66 1iae n GLY 99 N -1.34 -0.56 3.54 5.37 0.00 -0.43 -4.63 105.19 107.15 1iae n GLY 99 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 1iae n GLY 99 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1iae s PHE 100 N 0.00 2.78 0.74 1.61 0.40 -0.98 -0.79 117.98 121.75 1iae s PHE 100 Ca 0.00 -0.11 -0.01 0.00 -0.60 0.00 0.00 56.93 56.21 1iae s PHE 100 Cb 0.00 -1.58 0.14 0.00 0.51 0.00 0.00 43.02 42.09 1iae s PHE 100 CO 0.00 0.31 1.02 0.71 0.70 0.00 0.00 175.22 177.96 1iae s TYR 101 N -0.93 1.40 0.51 0.36 2.02 -0.24 -4.20 117.35 116.27 1iae s TYR 101 Ca 0.15 -0.33 -0.21 0.00 -0.37 0.00 0.00 57.07 56.31 1iae s TYR 101 Cb -0.11 -3.01 -0.06 0.00 -0.40 0.00 0.00 41.96 38.38 1iae s TYR 101 CO 0.06 -1.81 1.18 -1.01 -1.57 0.00 0.00 175.55 172.40 1iae s HIS 102 N -3.18 2.68 0.17 2.71 3.76 -1.26 -4.30 115.29 115.86 1iae s HIS 102 Ca 0.67 1.52 -0.11 0.00 -0.15 0.00 0.00 55.06 57.00 1iae s HIS 102 Cb -0.05 -3.42 0.05 0.00 1.11 0.00 0.00 32.58 30.27 1iae s HIS 102 CO 0.45 -1.79 1.63 1.49 -0.85 0.00 0.00 174.74 175.67 1iae h GLU 103 N 1.58 0.99 0.00 1.40 4.57 -1.58 -3.14 114.58 118.41 1iae h GLU 103 Ca -0.50 -0.31 0.00 0.00 -1.18 0.00 0.00 59.36 57.37 1iae h GLU 103 Cb 1.26 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.76 1iae h GLU 103 CO 0.58 0.98 0.00 -2.39 -1.18 0.00 0.00 179.01 177.00 1iae n HIS 104 N -4.25 0.00 -0.74 0.92 1.44 -1.26 -2.11 115.22 109.22 1iae n HIS 104 Ca 0.02 0.00 0.05 0.00 -2.01 0.00 0.00 57.72 55.79 1iae n HIS 104 Cb 0.33 0.00 0.08 0.00 0.12 0.00 0.00 29.99 30.51 1iae n HIS 104 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 1iae n THR 105 N -0.76 1.38 -1.64 0.61 -2.24 -1.19 -4.86 114.28 105.58 1iae n THR 105 Ca 0.10 -1.59 -0.39 0.00 -2.27 0.00 0.00 64.05 59.91 1iae n THR 105 Cb 0.05 0.12 0.04 0.00 -2.10 0.00 0.00 70.33 68.44 1iae n THR 105 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1iae n ARG 106 N -0.96 1.12 0.00 -0.78 1.74 -0.90 -0.55 116.66 116.34 1iae n ARG 106 Ca 0.09 0.42 0.21 0.00 -0.77 0.00 0.00 57.85 57.80 1iae n ARG 106 Cb 0.50 -2.22 0.71 0.00 -1.02 0.00 0.00 32.46 30.43 1iae n ARG 106 CO 0.00 0.00 0.00 0.52 -1.52 0.00 0.00 177.63 176.63 1iae h MET 107 N 0.84 0.00 -0.58 5.56 2.86 -1.92 -0.55 114.93 121.15 1iae h MET 107 Ca -0.48 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.16 1iae h MET 107 Cb 1.35 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.01 1iae h MET 107 CO 0.53 0.00 0.00 -0.40 1.06 0.00 0.00 176.91 178.10 1iae n ASP 108 N -4.24 3.23 0.26 1.22 5.75 -1.26 -4.62 116.55 116.90 1iae n ASP 108 Ca 0.10 -2.16 0.10 0.00 -0.01 0.00 0.00 54.79 52.81 1iae n ASP 108 Cb 0.63 -0.42 0.69 0.00 -1.03 0.00 0.00 41.12 40.99 1iae n ASP 108 CO 0.00 0.00 0.00 0.08 -0.11 0.00 0.00 177.20 177.17 1iae h ARG 109 N 3.06 0.00 0.00 0.11 -0.00 -1.42 -0.19 114.38 115.94 1iae h ARG 109 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.98 1iae h ARG 109 Cb 0.92 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.89 1iae h ARG 109 CO 0.09 0.04 0.00 -0.25 -0.00 0.00 0.00 179.97 179.84 1iae n ASP 110 N -4.28 0.59 0.29 0.08 8.00 -1.26 -0.84 116.55 119.12 1iae n ASP 110 Ca -0.03 0.64 0.17 0.00 0.71 0.00 0.00 54.79 56.28 1iae n ASP 110 Cb 0.12 -0.77 0.81 0.00 -0.02 0.00 0.00 41.12 41.26 1iae n ASP 110 CO 0.00 0.00 0.00 0.78 -0.39 0.00 0.00 177.20 177.59 1iae h ASN 111 N 0.00 0.00 0.00 -2.24 4.21 -1.39 -3.37 115.58 112.79 1iae h ASN 111 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1iae h ASN 111 Cb 0.38 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.58 1iae h ASN 111 CO 0.00 0.04 -0.97 -1.22 -1.29 0.00 0.00 177.43 173.99 1iae n TYR 112 N -3.23 0.00 -4.17 1.19 4.01 -0.02 -4.91 117.16 110.02 1iae n TYR 112 Ca -0.01 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.62 1iae n TYR 112 Cb 0.24 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.17 1iae n TYR 112 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 1iae s VAL 113 N -1.97 0.74 -0.13 -0.72 -7.23 -0.13 -0.57 120.40 110.38 1iae s VAL 113 Ca 0.00 -1.90 -0.00 0.00 -1.81 0.00 0.00 61.98 58.27 1iae s VAL 113 Cb 0.00 -1.64 -0.02 0.00 0.56 0.00 0.00 36.38 35.28 1iae s VAL 113 CO 0.00 -0.83 -0.12 -0.89 -0.31 0.00 0.00 175.10 172.95 1iae s THR 114 N -3.46 3.14 -0.31 5.32 2.01 -0.37 -4.31 115.64 117.65 1iae s THR 114 Ca 0.11 -0.63 -0.18 0.00 0.31 0.00 0.00 61.69 61.29 1iae s THR 114 Cb 0.04 -2.32 -0.01 0.00 0.01 0.00 0.00 72.50 70.22 1iae s THR 114 CO -0.04 0.53 0.53 -0.63 -0.69 0.00 0.00 174.62 174.31 1iae s ILE 115 N 0.28 5.02 -1.13 1.82 -1.09 -1.26 -1.51 121.20 123.33 1iae s ILE 115 Ca -0.09 0.61 -0.21 0.00 -2.23 0.00 0.00 60.65 58.73 1iae s ILE 115 Cb -0.15 -3.92 0.06 0.00 -1.58 0.00 0.00 42.46 36.87 1iae s ILE 115 CO 0.05 -0.09 1.56 0.20 -1.23 0.00 0.00 174.94 175.42 1iae s ASN 116 N 1.67 6.65 0.59 3.58 0.01 0.34 -4.85 114.94 122.94 1iae s ASN 116 Ca 0.20 -1.89 0.36 0.00 -0.71 0.00 0.00 52.86 50.83 1iae s ASN 116 Cb -0.15 -2.57 1.83 0.00 0.41 0.00 0.00 41.25 40.77 1iae s ASN 116 CO 0.12 -1.35 2.17 1.88 -1.51 0.00 0.00 177.10 178.41 1iae h TYR 117 N 8.85 0.00 0.00 2.20 0.05 -1.94 -1.35 116.97 124.78 1iae h TYR 117 Ca 0.30 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.08 1iae h TYR 117 Cb 0.95 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.69 1iae h TYR 117 CO 1.33 0.04 0.00 -0.56 -1.05 0.00 0.00 178.16 177.92 1iae h GLN 118 N 0.00 0.00 -0.01 4.88 -0.00 -1.97 -2.60 115.11 115.42 1iae h GLN 118 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1iae h GLN 118 Cb 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.72 1iae h GLN 118 CO 0.00 0.00 -0.53 0.09 -0.00 0.00 0.00 178.83 178.40 1iae n ASN 119 N -2.30 1.67 -4.73 0.06 3.02 -0.51 -4.94 115.26 107.52 1iae n ASN 119 Ca 0.03 -1.34 -0.40 0.00 -0.03 0.00 0.00 54.58 52.85 1iae n ASN 119 Cb 0.29 0.59 -0.05 0.00 -0.61 0.00 0.00 39.78 40.00 1iae n ASN 119 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1iae s VAL 120 N -2.38 4.94 -0.33 2.41 1.01 -0.98 -0.71 120.40 124.37 1iae s VAL 120 Ca 0.15 1.45 -0.42 0.00 0.00 0.00 0.00 61.98 63.15 1iae s VAL 120 Cb 0.16 -4.04 -0.17 0.00 0.00 0.00 0.00 36.38 32.33 1iae s VAL 120 CO 0.57 0.31 1.67 -0.67 0.00 0.00 0.00 175.10 176.98 1iae n ASP 121 N 3.32 1.95 0.28 3.32 -0.08 0.59 -4.73 116.55 121.20 1iae n ASP 121 Ca -0.03 1.11 0.17 0.00 -1.51 0.00 0.00 54.79 54.54 1iae n ASP 121 Cb 0.51 -1.06 0.94 0.00 2.34 0.00 0.00 41.12 43.86 1iae n ASP 121 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1iae h PRO 122 N 6.35 0.00 -0.04 -0.67 0.11 -1.93 -0.01 132.00 135.81 1iae h PRO 122 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1iae h PRO 122 Cb 1.34 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.45 1iae h PRO 122 CO 0.95 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.61 1iae n SER 123 N -3.66 0.67 -0.26 -2.05 3.41 -1.26 -4.12 113.62 106.35 1iae n SER 123 Ca -0.02 -1.41 0.02 0.00 -0.26 0.00 0.00 58.87 57.20 1iae n SER 123 Cb 0.16 -0.03 0.03 0.00 -0.26 0.00 0.00 64.21 64.11 1iae n SER 123 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1iae n MET 124 N -0.39 0.49 0.23 4.33 2.81 -0.02 -4.85 117.12 119.71 1iae n MET 124 Ca 0.18 -1.22 0.08 0.00 -1.81 0.00 0.00 57.70 54.92 1iae n MET 124 Cb 0.19 -0.73 0.55 0.00 -0.71 0.00 0.00 33.22 32.52 1iae n MET 124 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 1iae h THR 125 N 4.20 0.85 0.00 2.03 1.35 -1.70 -1.92 112.91 117.71 1iae h THR 125 Ca 0.00 -0.85 0.00 0.00 -0.55 0.00 0.00 66.41 65.01 1iae h THR 125 Cb 1.16 1.51 0.00 0.00 -1.73 0.00 0.00 68.15 69.09 1iae h THR 125 CO 0.00 0.22 0.00 -1.20 -0.25 0.00 0.00 175.52 174.29 1iae n SER 126 N -3.82 0.09 0.26 5.36 7.64 -1.26 -1.44 113.62 120.45 1iae n SER 126 Ca -0.02 0.52 0.18 0.00 1.01 0.00 0.00 58.87 60.56 1iae n SER 126 Cb 0.32 -0.54 0.93 0.00 -1.01 0.00 0.00 64.21 63.91 1iae n SER 126 CO 0.00 0.00 0.00 0.78 -3.01 0.00 0.00 175.04 172.81 1iae h ASN 127 N 0.00 0.00 -0.56 6.43 2.35 -1.74 -1.61 115.58 120.46 1iae h ASN 127 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1iae h ASN 127 Cb 0.26 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.63 1iae h ASN 127 CO 0.00 0.00 0.00 0.49 -1.65 0.00 0.00 177.43 176.27 1iae n PHE 128 N -2.75 0.83 -1.98 1.19 3.72 -0.52 -4.98 117.46 112.96 1iae n PHE 128 Ca -0.02 -0.53 -0.42 0.00 -0.05 0.00 0.00 57.45 56.44 1iae n PHE 128 Cb 0.08 -0.05 -0.03 0.00 -0.94 0.00 0.00 39.48 38.54 1iae n PHE 128 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1iae s ASP 129 N -1.03 6.63 0.22 4.37 1.01 -0.61 -4.91 116.67 122.36 1iae s ASP 129 Ca 0.39 2.60 -0.31 0.00 0.71 0.00 0.00 52.55 55.94 1iae s ASP 129 Cb 0.21 -2.60 -0.10 0.00 1.01 0.00 0.00 42.92 41.44 1iae s ASP 129 CO 0.25 -0.77 1.55 -0.63 0.21 0.00 0.00 175.17 175.77 1iae s ILE 130 N 0.78 2.47 -1.11 0.77 1.01 -1.26 -4.80 121.20 119.06 1iae s ILE 130 Ca 0.66 0.36 -0.23 0.00 0.00 0.00 0.00 60.65 61.45 1iae s ILE 130 Cb -0.42 -3.23 -0.05 0.00 0.01 0.00 0.00 42.46 38.76 1iae s ILE 130 CO 0.35 0.04 1.89 -1.81 0.00 0.00 0.00 174.94 175.41 1iae s ASP 131 N 0.79 5.36 0.26 3.58 1.01 0.29 -4.79 116.67 123.17 1iae s ASP 131 Ca 0.66 -1.48 -0.04 0.00 0.71 0.00 0.00 52.55 52.40 1iae s ASP 131 Cb -0.44 -2.58 0.32 0.00 1.01 0.00 0.00 42.92 41.23 1iae s ASP 131 CO 0.38 -2.67 1.87 0.74 0.21 0.00 0.00 175.17 175.70 1iae h THR 132 N 6.44 1.24 -3.17 -1.27 2.02 -1.91 -3.24 112.91 113.02 1iae h THR 132 Ca 0.21 -0.64 -0.79 0.00 0.77 0.00 0.00 66.41 65.96 1iae h THR 132 Cb 0.95 0.23 -0.26 0.00 -1.74 0.00 0.00 68.15 67.34 1iae h THR 132 CO 1.26 0.28 0.71 -1.22 0.37 0.00 0.00 175.52 176.92 1iae n TYR 133 N -4.33 4.78 -3.80 3.16 4.01 -1.26 -4.93 117.16 114.78 1iae n TYR 133 Ca 0.08 -3.62 -0.09 0.00 -0.16 0.00 0.00 57.90 54.11 1iae n TYR 133 Cb 0.12 -1.74 -0.04 0.00 -0.31 0.00 0.00 39.34 37.37 1iae n TYR 133 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 1iae s SER 134 N 1.15 -0.21 0.00 7.72 1.04 -1.22 -4.24 113.70 117.95 1iae s SER 134 Ca 0.33 -0.58 0.04 0.00 0.48 0.00 0.00 55.95 56.22 1iae s SER 134 Cb -0.06 0.57 -0.01 0.00 0.10 0.00 0.00 66.02 66.62 1iae s SER 134 CO -0.04 -1.07 -0.14 0.00 0.98 0.00 0.00 173.24 172.98 1iae s ARG 135 N -3.90 1.04 0.56 4.02 1.70 -0.57 -4.90 118.95 116.89 1iae s ARG 135 Ca 0.12 -0.56 -0.17 0.00 -0.47 0.00 0.00 55.73 54.65 1iae s ARG 135 Cb -0.01 -1.02 -0.05 0.00 -0.57 0.00 0.00 34.95 33.31 1iae s ARG 135 CO -0.00 0.27 1.06 0.71 -1.08 0.00 0.00 175.30 176.25 1iae s TYR 136 N -0.47 2.98 -0.33 5.89 2.02 -1.26 -0.97 117.35 125.21 1iae s TYR 136 Ca 0.04 1.53 0.17 0.00 -0.37 0.00 0.00 57.07 58.44 1iae s TYR 136 Cb -0.06 -3.03 0.46 0.00 -0.40 0.00 0.00 41.96 38.93 1iae s TYR 136 CO 0.00 -1.06 0.98 1.33 -1.57 0.00 0.00 175.55 175.23 1iae n VAL 137 N -1.73 1.16 0.00 0.71 0.24 -1.26 -4.94 118.33 112.51 1iae n VAL 137 Ca 0.09 -3.24 0.00 0.00 -2.04 0.00 0.00 64.34 59.14 1iae n VAL 137 Cb 0.53 0.50 0.00 0.00 -1.47 0.00 0.00 33.84 33.39 1iae n VAL 137 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1iae n GLY 138 N -0.14 0.48 3.10 7.63 0.00 -1.26 -4.46 105.19 110.54 1iae n GLY 138 Ca 0.12 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.93 1iae n GLY 138 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1iae s GLU 139 N -0.93 1.03 0.90 1.61 0.41 -1.26 -5.04 118.70 115.42 1iae s GLU 139 Ca 0.00 -0.53 -0.13 0.00 -0.41 0.00 0.00 54.97 53.90 1iae s GLU 139 Cb 0.00 -1.00 0.13 0.00 -1.78 0.00 0.00 34.13 31.48 1iae s GLU 139 CO 0.00 0.27 1.16 -0.51 -0.49 0.00 0.00 175.26 175.69 1iae s ASP 140 N -0.50 3.60 0.25 -0.19 1.01 -1.26 -4.99 116.67 114.60 1iae s ASP 140 Ca 0.04 0.86 -0.31 0.00 0.71 0.00 0.00 52.55 53.85 1iae s ASP 140 Cb -0.06 -1.37 -0.13 0.00 1.01 0.00 0.00 42.92 42.38 1iae s ASP 140 CO -0.00 -2.48 1.46 0.00 0.21 0.00 0.00 175.17 174.35 1iae n TYR 141 N -3.70 2.34 -3.87 4.23 4.19 -1.26 -5.01 117.16 114.08 1iae n TYR 141 Ca 0.08 0.39 -0.28 0.00 3.31 0.00 0.00 57.90 61.40 1iae n TYR 141 Cb 0.60 -2.50 -0.16 0.00 0.49 0.00 0.00 39.34 37.77 1iae n TYR 141 CO 0.00 0.00 0.00 -0.65 0.91 0.00 0.00 176.86 177.12 1iae s GLN 142 N -0.44 1.29 0.43 2.98 -1.52 -1.26 -5.02 119.66 116.12 1iae s GLN 142 Ca 0.67 -0.49 0.15 0.00 -1.95 0.00 0.00 55.36 53.74 1iae s GLN 142 Cb -0.61 -1.98 1.05 0.00 -0.22 0.00 0.00 33.01 31.25 1iae s GLN 142 CO 0.49 -0.46 1.94 1.88 -0.25 0.00 0.00 175.29 178.89 1iae h TYR 143 N 8.14 0.47 -0.46 0.91 0.05 -1.99 -2.46 116.97 121.63 1iae h TYR 143 Ca -0.23 0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.55 1iae h TYR 143 Cb 1.11 -0.15 -0.01 0.00 1.01 0.00 0.00 36.73 38.69 1iae h TYR 143 CO 0.43 0.19 0.02 0.66 -1.05 0.00 0.00 178.16 178.41 1iae n TYR 144 N -4.47 1.65 -1.68 4.88 4.01 -1.26 -4.82 117.16 115.47 1iae n TYR 144 Ca 0.13 -0.84 -0.43 0.00 -0.16 0.00 0.00 57.90 56.60 1iae n TYR 144 Cb 0.48 -0.45 -0.01 0.00 -0.31 0.00 0.00 39.34 39.06 1iae n TYR 144 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1iae n SER 145 N 0.07 2.49 0.32 7.72 2.88 -0.93 -4.72 113.62 121.45 1iae n SER 145 Ca 0.27 1.19 0.16 0.00 -1.33 0.00 0.00 58.87 59.16 1iae n SER 145 Cb 1.10 -1.45 0.85 0.00 -0.75 0.00 0.00 64.21 63.96 1iae n SER 145 CO 0.00 0.00 0.00 -0.29 -1.23 0.00 0.00 175.04 173.52 1iae h ILE 146 N 2.41 0.00 -0.16 2.46 6.09 -1.92 -2.07 117.51 124.33 1iae h ILE 146 Ca -0.45 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.04 1iae h ILE 146 Cb 1.29 0.69 0.00 0.00 0.47 0.00 0.00 36.82 39.28 1iae h ILE 146 CO 0.62 0.00 0.00 0.23 -3.07 0.00 0.00 178.15 175.93 1iae n MET 147 N -2.84 1.75 -3.74 2.19 2.81 -1.26 -4.68 117.12 111.36 1iae n MET 147 Ca -0.02 -1.13 -0.36 0.00 -1.81 0.00 0.00 57.70 54.38 1iae n MET 147 Cb 0.31 -1.41 -0.06 0.00 -0.71 0.00 0.00 33.22 31.35 1iae n MET 147 CO 0.00 0.00 0.00 -1.58 1.51 0.00 0.00 175.97 175.90 1iae s HIS 148 N -1.80 3.61 0.46 2.03 5.04 -0.78 -1.29 115.29 122.57 1iae s HIS 148 Ca 0.33 0.65 0.05 0.00 -1.54 0.00 0.00 55.06 54.55 1iae s HIS 148 Cb 0.18 -2.04 0.01 0.00 0.04 0.00 0.00 32.58 30.77 1iae s HIS 148 CO 0.27 0.65 0.64 0.71 -2.34 0.00 0.00 174.74 174.67 1iae s TYR 149 N -1.18 2.93 0.88 3.88 2.02 -1.26 -4.16 117.35 120.45 1iae s TYR 149 Ca 0.23 -0.16 -0.11 0.00 -0.37 0.00 0.00 57.07 56.66 1iae s TYR 149 Cb -0.14 -2.44 0.17 0.00 -0.40 0.00 0.00 41.96 39.16 1iae s TYR 149 CO 0.12 -0.51 1.21 0.20 -1.57 0.00 0.00 175.55 175.01 1iae s GLY 150 N -4.33 1.77 0.59 0.71 0.00 -1.17 -4.52 107.32 100.37 1iae s GLY 150 Ca 0.53 -1.37 0.37 0.00 0.00 0.00 0.00 44.72 44.25 1iae s GLY 150 CO 0.35 -0.67 2.14 0.07 0.00 0.00 0.00 173.10 174.99 1iae h LYS 151 N -1.26 0.00 -0.03 2.90 2.10 -1.63 -2.90 116.57 115.75 1iae h LYS 151 Ca -0.42 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.23 1iae h LYS 151 Cb 1.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 1iae h LYS 151 CO 0.39 0.02 0.00 0.66 -2.00 0.00 0.00 179.45 178.52 1iae n TYR 152 N -3.17 0.02 -1.69 0.07 4.01 -1.26 0.38 117.16 115.51 1iae n TYR 152 Ca -0.01 -0.01 -0.62 0.00 -0.16 0.00 0.00 57.90 57.10 1iae n TYR 152 Cb 0.21 -0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.16 1iae n TYR 152 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1iae n SER 153 N 0.88 1.46 -1.62 7.72 7.64 -1.10 -1.06 113.62 127.55 1iae n SER 153 Ca 0.09 1.14 -0.18 0.00 1.01 0.00 0.00 58.87 60.94 1iae n SER 153 Cb 0.39 -1.00 -0.05 0.00 -1.01 0.00 0.00 64.21 62.55 1iae n SER 153 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1iae n PHE 154 N 3.97 -0.33 -2.28 1.43 3.72 -1.26 -4.72 117.46 117.99 1iae n PHE 154 Ca 0.27 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 57.29 1iae n PHE 154 Cb 0.04 -3.23 -0.02 0.00 -0.94 0.00 0.00 39.48 35.34 1iae n PHE 154 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1iae s SER 155 N -2.57 6.38 0.26 4.37 0.15 -0.22 -0.30 113.70 121.78 1iae s SER 155 Ca 0.00 2.32 0.24 0.00 0.70 0.00 0.00 55.95 59.21 1iae s SER 155 Cb 0.00 -2.61 0.97 0.00 -1.71 0.00 0.00 66.02 62.68 1iae s SER 155 CO 0.00 -0.77 1.73 2.30 1.20 0.00 0.00 173.24 177.70 1iae n ILE 156 N -0.16 0.79 -3.19 6.45 -5.35 0.12 -4.14 119.36 113.87 1iae n ILE 156 Ca 0.06 0.17 -0.21 0.00 -0.27 0.00 0.00 62.75 62.49 1iae n ILE 156 Cb 0.47 -1.10 -0.06 0.00 -1.74 0.00 0.00 39.64 37.21 1iae n ILE 156 CO 0.00 0.00 0.00 1.67 -1.76 0.00 0.00 176.55 176.46 1iae n GLN 157 N -2.27 0.41 -1.70 6.28 7.27 -1.26 -5.04 117.38 121.07 1iae n GLN 157 Ca 0.02 -2.89 -0.44 0.00 0.07 0.00 0.00 57.00 53.76 1iae n GLN 157 Cb 0.26 -1.51 -0.03 0.00 2.41 0.00 0.00 30.24 31.36 1iae n GLN 157 CO 0.00 0.00 0.00 1.87 0.07 0.00 0.00 177.06 179.00 1iae n TRP 158 N 2.42 2.47 0.00 3.69 -0.00 -1.26 -1.52 117.44 123.25 1iae n TRP 158 Ca 0.24 0.25 0.00 0.00 -0.00 0.00 0.00 57.50 57.99 1iae n TRP 158 Cb 0.52 -2.57 0.00 0.00 -0.00 0.00 0.00 31.31 29.26 1iae n TRP 158 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1iae n GLY 159 N 3.04 2.19 1.02 5.87 0.00 -1.26 -4.83 105.19 111.22 1iae n GLY 159 Ca 0.14 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.16 1iae n GLY 159 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1iae n VAL 160 N -2.00 0.47 -3.61 1.61 0.31 -0.58 -5.03 118.33 109.51 1iae n VAL 160 Ca 0.00 0.15 -0.40 0.00 -0.01 0.00 0.00 64.34 64.09 1iae n VAL 160 Cb 0.00 -1.54 -0.11 0.00 -0.91 0.00 0.00 33.84 31.28 1iae n VAL 160 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1iae s LEU 161 N -6.38 4.47 0.28 7.52 1.43 -0.64 -5.07 118.68 120.29 1iae s LEU 161 Ca -0.00 -0.76 -0.27 0.00 -1.03 0.00 0.00 54.13 52.06 1iae s LEU 161 Cb 0.00 -2.03 -0.09 0.00 0.03 0.00 0.00 46.19 44.10 1iae s LEU 161 CO 0.00 -0.30 0.92 -1.61 0.23 0.00 0.00 176.35 175.59 1iae s GLU 162 N 1.59 4.66 -0.15 1.70 2.02 -1.26 -4.68 118.70 122.58 1iae s GLU 162 Ca 0.03 1.35 0.08 0.00 0.02 0.00 0.00 54.97 56.46 1iae s GLU 162 Cb -0.18 -2.99 -0.15 0.00 0.10 0.00 0.00 34.13 30.91 1iae s GLU 162 CO 0.07 0.38 -0.03 0.25 0.02 0.00 0.00 175.26 175.95 1iae n THR 163 N 0.93 0.98 -4.26 3.63 -2.24 0.16 -4.66 114.28 108.82 1iae n THR 163 Ca 0.00 -0.52 -0.34 0.00 -2.27 0.00 0.00 64.05 60.93 1iae n THR 163 Cb 0.49 -0.81 -0.15 0.00 -2.10 0.00 0.00 70.33 67.76 1iae n THR 163 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1iae s ILE 164 N -2.34 2.72 -0.16 2.28 1.01 -1.01 -0.50 121.20 123.19 1iae s ILE 164 Ca -0.13 -0.73 0.01 0.00 0.00 0.00 0.00 60.65 59.80 1iae s ILE 164 Cb 0.05 -2.18 0.02 0.00 0.01 0.00 0.00 42.46 40.36 1iae s ILE 164 CO 0.51 0.50 -0.19 -0.69 0.00 0.00 0.00 174.94 175.07 1iae s VAL 165 N 1.10 1.96 0.37 2.92 1.01 -0.57 -4.49 120.40 122.69 1iae s VAL 165 Ca 0.00 -0.89 -0.26 0.00 0.00 0.00 0.00 61.98 60.83 1iae s VAL 165 Cb -0.14 -1.77 -0.09 0.00 0.00 0.00 0.00 36.38 34.38 1iae s VAL 165 CO -0.04 0.52 1.14 -2.16 0.00 0.00 0.00 175.10 174.56 1iae s PRO 166 N 1.19 4.23 0.27 2.72 0.04 -1.26 -1.24 135.00 140.95 1iae s PRO 166 Ca 0.01 1.79 0.21 0.00 0.04 0.00 0.00 61.00 63.05 1iae s PRO 166 Cb -0.14 -2.79 0.10 0.00 0.04 0.00 0.00 34.50 31.71 1iae s PRO 166 CO -0.09 -0.15 1.25 -0.07 0.04 0.00 0.00 177.00 177.98 1iae h LEU 167 N 2.93 0.00 -9.94 -3.56 3.38 -1.19 -3.47 115.31 103.46 1iae h LEU 167 Ca -0.48 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 56.95 1iae h LEU 167 Cb 1.22 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.94 1iae h LEU 167 CO 0.64 0.13 -0.07 -1.10 0.09 0.00 0.00 178.44 178.12 1iae s GLN 168 N -3.21 3.89 0.30 1.13 -0.21 -1.26 -5.04 119.66 115.26 1iae s GLN 168 Ca 0.02 0.41 -0.29 0.00 0.02 0.00 0.00 55.36 55.52 1iae s GLN 168 Cb 0.08 -2.70 -0.10 0.00 1.00 0.00 0.00 33.01 31.29 1iae s GLN 168 CO 0.75 0.34 1.30 1.21 -2.12 0.00 0.00 175.29 176.76 1iae s ASN 169 N -2.16 6.83 0.00 5.90 2.47 -1.26 -4.07 114.94 122.65 1iae s ASN 169 Ca 0.46 2.61 0.00 0.00 0.42 0.00 0.00 52.86 56.35 1iae s ASN 169 Cb -0.12 -2.64 0.00 0.00 -1.45 0.00 0.00 41.25 37.04 1iae s ASN 169 CO 0.20 -0.51 0.00 0.61 -3.72 0.00 0.00 177.10 173.68 1iae n GLY 170 N 1.15 0.75 3.74 1.21 0.00 -1.26 -5.03 105.19 105.75 1iae n GLY 170 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 1iae n GLY 170 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1iae s ILE 171 N -2.36 5.21 -0.31 -0.61 -1.09 -1.26 -5.05 121.20 115.73 1iae s ILE 171 Ca 0.00 0.77 0.03 0.00 -2.23 0.00 0.00 60.65 59.23 1iae s ILE 171 Cb 0.00 -3.73 0.09 0.00 -1.58 0.00 0.00 42.46 37.24 1iae s ILE 171 CO 0.00 0.39 0.01 -0.62 -1.23 0.00 0.00 174.94 173.49 1iae s ASP 172 N 0.29 4.63 -0.20 3.58 2.15 -1.26 -4.90 116.67 120.96 1iae s ASP 172 Ca 0.22 -1.90 -0.29 0.00 0.43 0.00 0.00 52.55 51.00 1iae s ASP 172 Cb -0.14 -1.56 -0.02 0.00 -0.30 0.00 0.00 42.92 40.89 1iae s ASP 172 CO 0.08 -0.33 1.47 -0.76 -0.17 0.00 0.00 175.17 175.46 1iae s LEU 173 N 1.00 4.04 0.31 -1.34 1.43 -1.26 -5.01 118.68 117.84 1iae s LEU 173 Ca 0.05 1.65 0.11 0.00 -1.03 0.00 0.00 54.13 54.91 1iae s LEU 173 Cb -0.19 -3.54 -0.05 0.00 0.03 0.00 0.00 46.19 42.44 1iae s LEU 173 CO -0.08 -1.04 -0.12 0.42 0.23 0.00 0.00 176.35 175.76 1iae s THR 174 N 4.41 2.51 0.66 5.49 -4.23 -1.26 -1.99 115.64 121.22 1iae s THR 174 Ca 0.64 -2.24 -0.10 0.00 -1.18 0.00 0.00 61.69 58.82 1iae s THR 174 Cb -0.24 -2.53 0.00 0.00 1.34 0.00 0.00 72.50 71.08 1iae s THR 174 CO 0.24 -0.30 1.03 -1.81 -0.54 0.00 0.00 174.62 173.24 1iae s ASP 175 N -3.59 5.63 0.47 3.99 1.01 -1.26 -3.03 116.67 119.89 1iae s ASP 175 Ca 0.32 1.07 0.20 0.00 0.71 0.00 0.00 52.55 54.85 1iae s ASP 175 Cb -0.02 -1.97 1.20 0.00 1.01 0.00 0.00 42.92 43.14 1iae s ASP 175 CO 0.17 -1.17 1.93 -0.65 0.21 0.00 0.00 175.17 175.66 1iae h PRO 176 N -0.46 0.24 0.00 8.23 0.11 -1.84 -1.68 132.00 136.60 1iae h PRO 176 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1iae h PRO 176 Cb 1.24 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1iae h PRO 176 CO 0.63 0.16 0.00 0.10 -0.21 0.00 0.00 178.00 178.68 1iae h TYR 177 N 0.25 0.00 0.00 0.65 -0.00 -1.92 -1.27 116.97 114.67 1iae h TYR 177 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.08 1iae h TYR 177 Cb 1.01 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.74 1iae h TYR 177 CO -0.00 0.00 -0.20 -0.25 -0.00 0.00 0.00 178.16 177.71 1iae n ASP 178 N -2.76 0.64 -4.76 0.10 8.00 -0.63 -4.72 116.55 112.42 1iae n ASP 178 Ca 0.01 0.39 -0.39 0.00 0.71 0.00 0.00 54.79 55.51 1iae n ASP 178 Cb 0.26 -0.43 -0.05 0.00 -0.02 0.00 0.00 41.12 40.88 1iae n ASP 178 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1iae s LYS 179 N -3.10 4.47 0.12 -1.24 -0.14 -0.48 -4.98 119.74 114.39 1iae s LYS 179 Ca 0.10 1.03 -0.05 0.00 -1.36 0.00 0.00 55.97 55.69 1iae s LYS 179 Cb 0.14 -3.32 -0.14 0.00 -1.68 0.00 0.00 37.83 32.83 1iae s LYS 179 CO 0.63 0.41 1.27 0.00 -0.76 0.00 0.00 175.35 176.89 1iae h ALA 180 N 5.17 0.30 -2.69 5.17 0.00 -1.90 -3.34 119.26 121.97 1iae h ALA 180 Ca -0.45 -0.74 -0.11 0.00 0.00 0.00 0.00 54.91 53.61 1iae h ALA 180 Cb 1.21 -0.01 -0.12 0.00 0.00 0.00 0.00 17.79 18.87 1iae h ALA 180 CO 0.69 0.83 -0.30 -1.01 0.00 0.00 0.00 179.25 179.46 1iae s HIS 181 N -3.15 0.47 0.51 0.00 3.76 -1.26 -4.74 115.29 110.89 1iae s HIS 181 Ca -0.06 -0.82 -0.17 0.00 -0.15 0.00 0.00 55.06 53.86 1iae s HIS 181 Cb 0.08 -0.05 -0.08 0.00 1.11 0.00 0.00 32.58 33.65 1iae s HIS 181 CO 0.87 -0.78 0.99 0.00 -0.85 0.00 0.00 174.74 174.97 1iae s MET 182 N -4.00 3.91 0.59 1.40 0.23 -1.26 -4.80 119.30 115.35 1iae s MET 182 Ca 0.21 1.01 -0.16 0.00 -1.03 0.00 0.00 55.69 55.71 1iae s MET 182 Cb 0.03 -2.13 -0.04 0.00 -1.53 0.00 0.00 34.83 31.16 1iae s MET 182 CO 0.04 -0.31 1.06 -0.51 -2.03 0.00 0.00 175.02 173.27 1iae s LEU 183 N -4.02 3.54 0.36 0.18 1.43 -1.26 -4.94 118.68 113.97 1iae s LEU 183 Ca 0.60 1.87 0.10 0.00 -1.03 0.00 0.00 54.13 55.66 1iae s LEU 183 Cb -0.11 -4.54 0.84 0.00 0.03 0.00 0.00 46.19 42.41 1iae s LEU 183 CO 0.30 -1.18 1.86 -0.61 0.23 0.00 0.00 176.35 176.96 1iae h GLN 184 N 0.55 0.65 0.00 1.70 5.75 -2.00 -1.37 115.11 120.40 1iae h GLN 184 Ca -0.47 -0.04 -0.05 0.00 -0.15 0.00 0.00 58.65 57.94 1iae h GLN 184 Cb 1.23 -0.15 -0.01 0.00 1.07 0.00 0.00 27.48 29.62 1iae h GLN 184 CO 0.57 0.43 -0.23 1.79 -2.65 0.00 0.00 178.83 178.74 1iae h THR 185 N 0.67 0.59 -0.09 2.39 1.35 -1.99 0.08 112.91 115.90 1iae h THR 185 Ca 0.45 -1.11 -0.06 0.00 -0.55 0.00 0.00 66.41 65.15 1iae h THR 185 Cb 0.76 1.75 0.00 0.00 -1.73 0.00 0.00 68.15 68.93 1iae h THR 185 CO -0.21 0.23 -0.16 0.44 -0.25 0.00 0.00 175.52 175.57 1iae h ASP 186 N 0.00 0.30 -0.67 5.36 3.32 -1.63 -2.68 116.42 120.42 1iae h ASP 186 Ca -0.00 -0.55 0.02 0.00 0.02 0.00 0.00 57.03 56.52 1iae h ASP 186 Cb 0.73 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 40.15 1iae h ASP 186 CO 0.03 0.79 0.42 0.00 -1.72 0.00 0.00 179.24 178.76 1iae h ALA 187 N 0.52 0.87 -0.86 3.45 0.00 -0.95 -2.67 119.26 119.62 1iae h ALA 187 Ca 0.01 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1iae h ALA 187 Cb 0.73 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 1iae h ALA 187 CO 0.04 0.20 0.57 -0.91 0.00 0.00 0.00 179.25 179.14 1iae h ASN 188 N 0.84 0.97 -0.50 0.00 2.35 -1.01 -1.49 115.58 116.73 1iae h ASN 188 Ca 0.26 -0.02 -0.04 0.00 -0.55 0.00 0.00 56.30 55.95 1iae h ASN 188 Cb -0.01 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.10 1iae h ASN 188 CO -0.09 0.69 0.16 1.56 -1.65 0.00 0.00 177.43 178.10 1iae h GLN 189 N 1.14 0.78 -0.09 0.81 4.20 -1.18 0.07 115.11 120.84 1iae h GLN 189 Ca 0.32 -0.16 -0.00 0.00 0.06 0.00 0.00 58.65 58.87 1iae h GLN 189 Cb -0.10 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 27.56 1iae h GLN 189 CO -0.08 0.72 0.05 0.82 -0.67 0.00 0.00 178.83 179.67 1iae h ILE 190 N 0.68 1.08 -0.77 2.54 2.04 -1.15 -0.81 117.51 121.12 1iae h ILE 190 Ca 0.16 -0.22 -0.04 0.00 1.00 0.00 0.00 64.86 65.76 1iae h ILE 190 Cb 0.26 1.07 -0.04 0.00 -0.74 0.00 0.00 36.82 37.38 1iae h ILE 190 CO -0.01 0.07 0.34 0.78 0.00 0.00 0.00 178.15 179.33 1iae h ASN 191 N 0.06 1.02 -0.46 1.72 2.35 -1.11 0.11 115.58 119.27 1iae h ASN 191 Ca 0.03 -0.14 -0.03 0.00 -0.55 0.00 0.00 56.30 55.62 1iae h ASN 191 Cb 0.07 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.16 1iae h ASN 191 CO -0.01 0.89 0.18 0.78 -1.65 0.00 0.00 177.43 177.62 1iae h ASN 192 N 1.10 0.65 -0.78 5.81 2.35 -0.89 -2.01 115.58 121.82 1iae h ASN 192 Ca 0.26 -0.18 -0.04 0.00 -0.55 0.00 0.00 56.30 55.80 1iae h ASN 192 Cb 0.16 -0.17 -0.04 0.00 0.05 0.00 0.00 38.32 38.33 1iae h ASN 192 CO -0.03 0.65 0.34 0.25 -1.65 0.00 0.00 177.43 176.99 1iae h LEU 193 N 0.61 1.05 -2.64 1.61 5.85 -0.71 -2.95 115.31 118.13 1iae h LEU 193 Ca 0.15 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1iae h LEU 193 Cb 0.21 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 40.97 1iae h LEU 193 CO -0.01 0.91 0.00 -1.22 -0.34 0.00 0.00 178.44 177.78 1iae n TYR 194 N -4.29 1.30 -0.26 1.25 4.02 -0.01 -4.56 117.16 114.60 1iae n TYR 194 Ca 0.07 -0.49 0.06 0.00 -0.01 0.00 0.00 57.90 57.54 1iae n TYR 194 Cb 0.17 -0.27 0.20 0.00 -0.02 0.00 0.00 39.34 39.42 1iae n TYR 194 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 176.86 177.00 1iae h THR 195 N 3.12 0.60 -0.00 -0.72 2.02 -1.18 -0.61 112.91 116.13 1iae h THR 195 Ca 0.00 -0.13 -0.19 0.00 0.77 0.00 0.00 66.41 66.85 1iae h THR 195 Cb 1.32 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 67.89 1iae h THR 195 CO 0.24 0.07 -0.86 0.78 0.37 0.00 0.00 175.52 176.13 1iae h ASN 196 N 0.39 0.25 -0.08 4.18 -0.26 -1.86 -2.17 115.58 116.03 1iae h ASN 196 Ca 0.43 -0.20 -0.11 0.00 -0.56 0.00 0.00 56.30 55.87 1iae h ASN 196 Cb 0.70 -0.08 0.00 0.00 -1.06 0.00 0.00 38.32 37.89 1iae h ASN 196 CO -0.45 1.00 -0.36 -0.33 -1.06 0.00 0.00 177.43 176.23 1iae h GLU 197 N 0.11 0.39 -0.01 0.81 4.39 -1.58 -3.22 114.58 115.48 1iae h GLU 197 Ca -0.04 -0.31 0.00 0.00 0.34 0.00 0.00 59.36 59.35 1iae h GLU 197 Cb 1.48 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 30.19 1iae h GLU 197 CO 0.13 0.94 -0.24 0.00 -1.16 0.00 0.00 179.01 178.69 1iae n SER 199 N -0.81 -2.88 -0.35 0.00 7.64 -1.04 -5.07 113.62 111.11 1iae n SER 199 Ca 0.12 -0.44 0.04 0.00 1.01 0.00 0.00 58.87 59.61 1iae n SER 199 Cb 0.33 -3.65 0.04 0.00 -1.01 0.00 0.00 64.21 59.91 1iae n SER 199 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21