#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ias n PHE 4 N 0.00 0.03 0.02 -5.13 3.72 -1.26 -3.33 117.46 111.51 3ias n PHE 4 Ca 0.00 -0.02 0.03 0.00 -0.05 0.00 0.00 57.45 57.41 3ias n PHE 4 Cb 0.00 0.00 0.39 0.00 -0.94 0.00 0.00 39.48 38.93 3ias n PHE 4 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 3ias h ASP 5 N 1.03 0.43 0.05 4.37 5.19 -2.05 -3.28 116.42 122.18 3ias h ASP 5 Ca 0.00 -0.04 -0.00 0.00 -0.62 0.00 0.00 57.03 56.37 3ias h ASP 5 Cb 0.22 -0.11 0.00 0.00 0.18 0.00 0.00 39.33 39.62 3ias h ASP 5 CO 0.00 0.39 -0.03 -0.78 -3.12 0.00 0.00 179.24 175.71 3ias h ASP 6 N 0.48 -0.06 -2.14 6.45 1.82 -2.09 -3.38 116.42 117.50 3ias h ASP 6 Ca 0.12 0.00 -0.75 0.00 -0.39 0.00 0.00 57.03 56.01 3ias h ASP 6 Cb 0.10 0.02 -0.18 0.00 0.68 0.00 0.00 39.33 39.94 3ias h ASP 6 CO -0.01 -0.04 1.40 2.29 -1.61 0.00 0.00 179.24 181.28 3ias n LYS 7 N -2.24 3.46 0.19 0.28 0.00 -1.23 -4.76 118.16 113.86 3ias n LYS 7 Ca -0.01 -3.85 0.06 0.00 -0.00 0.00 0.00 58.31 54.51 3ias n LYS 7 Cb 0.03 -2.97 0.37 0.00 -0.00 0.00 0.00 35.03 32.46 3ias n LYS 7 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.40 179.36 3ias h GLN 8 N 6.78 0.00 0.00 -1.58 1.08 -1.75 -2.84 115.11 116.80 3ias h GLN 8 Ca 0.32 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.51 3ias h GLN 8 Cb 0.82 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.25 3ias h GLN 8 CO 1.30 0.35 -0.04 -0.44 -0.95 0.00 0.00 178.83 179.06 3ias h ASP 9 N 0.00 0.00 0.00 1.46 3.32 -1.93 -2.07 116.42 117.20 3ias h ASP 9 Ca -0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 3ias h ASP 9 Cb 0.84 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.39 3ias h ASP 9 CO 0.05 0.04 -0.01 0.15 -1.72 0.00 0.00 179.24 177.74 3ias h PHE 10 N 0.00 0.00 -0.08 4.55 3.04 -1.91 -3.00 116.94 119.54 3ias h PHE 10 Ca -0.00 0.00 0.02 0.00 3.98 0.00 0.00 57.97 61.97 3ias h PHE 10 Cb 0.46 0.00 -0.05 0.00 2.56 0.00 0.00 35.95 38.92 3ias h PHE 10 CO 0.00 0.85 -0.44 -0.07 -2.02 0.00 0.00 178.31 176.63 3ias h LEU 11 N -1.00 -1.38 -0.61 0.59 3.38 -1.58 -1.58 115.31 113.13 3ias h LEU 11 Ca -0.00 0.16 0.06 0.00 0.09 0.00 0.00 57.88 58.18 3ias h LEU 11 Cb 0.85 0.54 -0.07 0.00 0.09 0.00 0.00 40.66 42.07 3ias h LEU 11 CO -0.00 -0.40 -0.36 -0.62 0.09 0.00 0.00 178.44 177.15 3ias n GLU 12 N -4.88 -0.27 -0.15 1.13 1.02 -0.79 -1.11 120.64 115.60 3ias n GLU 12 Ca -0.05 0.98 -0.09 0.00 -0.02 0.00 0.00 57.16 57.98 3ias n GLU 12 Cb 0.31 -1.44 0.00 0.00 -0.02 0.00 0.00 31.44 30.29 3ias n GLU 12 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 3ias h GLU 13 N 0.00 0.64 -0.12 3.49 4.81 -1.29 -2.90 114.58 119.21 3ias h GLU 13 Ca 0.10 -0.11 -0.20 0.00 -0.13 0.00 0.00 59.36 59.02 3ias h GLU 13 Cb 0.25 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.52 3ias h GLU 13 CO -0.57 0.57 -0.75 1.79 -0.73 0.00 0.00 179.01 179.32 3ias h THR 14 N 0.56 1.32 0.00 0.32 1.35 -0.13 -2.82 112.91 113.52 3ias h THR 14 Ca 0.15 -2.04 -0.00 0.00 -0.55 0.00 0.00 66.41 63.97 3ias h THR 14 Cb 0.15 2.03 -0.00 0.00 -1.73 0.00 0.00 68.15 68.60 3ias h THR 14 CO -0.02 0.63 -0.01 -0.26 -0.25 0.00 0.00 175.52 175.62 3ias h PHE 15 N 0.43 0.00 -0.14 4.73 0.04 -1.15 -1.92 116.94 118.93 3ias h PHE 15 Ca -0.04 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.61 3ias h PHE 15 Cb 1.35 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.49 3ias h PHE 15 CO 0.07 0.01 -0.42 0.00 -0.60 0.00 0.00 178.31 177.36 3ias h ALA 16 N 1.99 1.02 -0.01 2.45 0.00 -1.29 -3.04 119.26 120.39 3ias h ALA 16 Ca -0.00 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3ias h ALA 16 Cb 0.02 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 3ias h ALA 16 CO 0.00 0.61 0.02 0.87 0.00 0.00 0.00 179.25 180.75 3ias h LYS 17 N 0.27 0.00 -6.12 0.00 1.57 -1.34 -3.43 116.57 107.52 3ias h LYS 17 Ca 0.02 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.23 3ias h LYS 17 Cb 0.86 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 33.01 3ias h LYS 17 CO 0.07 0.00 -0.77 0.71 -0.57 0.00 0.00 179.45 178.89 3ias s TYR 18 N -4.33 2.10 1.04 -1.35 2.02 -1.15 -5.14 117.35 110.53 3ias s TYR 18 Ca -0.05 -0.41 -0.17 0.00 -0.37 0.00 0.00 57.07 56.08 3ias s TYR 18 Cb 0.14 -0.97 0.05 0.00 -0.40 0.00 0.00 41.96 40.78 3ias s TYR 18 CO 0.46 0.54 0.06 -2.30 -1.57 0.00 0.00 175.55 172.73 3ias n PRO 19 N -0.23 -0.90 -0.03 -1.71 -0.02 -1.26 -4.93 135.00 125.93 3ias n PRO 19 Ca -0.09 -0.24 -0.01 0.00 -2.02 0.00 0.00 63.50 61.15 3ias n PRO 19 Cb 0.59 -1.70 0.28 0.00 -0.02 0.00 0.00 33.50 32.65 3ias n PRO 19 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 3ias h PRO 20 N -1.75 0.59 0.08 0.52 0.13 -1.97 -3.21 132.00 126.39 3ias h PRO 20 Ca -0.48 -0.12 -0.29 0.00 -0.87 0.00 0.00 66.00 64.24 3ias h PRO 20 Cb 1.33 -0.09 -0.02 0.00 0.13 0.00 0.00 31.00 32.35 3ias h PRO 20 CO 0.35 0.59 -1.49 1.05 -0.23 0.00 0.00 178.00 178.27 3ias h GLU 21 N 0.57 0.16 -2.28 0.86 9.09 -2.00 -3.37 114.58 117.61 3ias h GLU 21 Ca 0.12 -0.28 -0.59 0.00 0.05 0.00 0.00 59.36 58.67 3ias h GLU 21 Cb 0.31 0.10 -0.14 0.00 -1.65 0.00 0.00 28.75 27.37 3ias h GLU 21 CO 0.01 0.98 1.29 0.41 0.05 0.00 0.00 179.01 181.75 3ias n GLY 22 N 1.60 4.64 0.27 1.06 0.00 -1.21 -4.61 105.19 106.95 3ias n GLY 22 Ca -0.14 -1.91 0.03 0.00 0.00 0.00 0.00 46.02 44.00 3ias n GLY 22 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3ias h ARG 23 N 3.72 0.35 -1.37 1.61 3.08 -1.73 -2.04 114.38 118.00 3ias h ARG 23 Ca 0.53 -0.05 0.40 0.00 0.07 0.00 0.00 59.98 60.93 3ias h ARG 23 Cb 0.57 -0.07 -0.07 0.00 0.08 0.00 0.00 29.97 30.49 3ias h ARG 23 CO 1.12 0.34 0.97 0.00 -1.07 0.00 0.00 179.97 181.33 3ias h ARG 24 N 0.35 0.05 -0.93 0.04 2.47 -1.82 0.62 114.38 115.17 3ias h ARG 24 Ca 0.09 -0.00 0.21 0.00 -1.26 0.00 0.00 59.98 59.01 3ias h ARG 24 Cb 0.16 -0.01 -0.07 0.00 -1.65 0.00 0.00 29.97 28.39 3ias h ARG 24 CO -0.00 0.03 0.61 0.00 0.56 0.00 0.00 179.97 181.17 3ias h ALA 25 N 1.36 2.17 0.00 0.04 0.00 -1.75 -1.19 119.26 119.88 3ias h ALA 25 Ca 0.68 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.61 3ias h ALA 25 Cb 2.57 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 20.33 3ias h ALA 25 CO -0.08 -0.47 -0.05 0.00 0.00 0.00 0.00 179.25 178.64 3ias h ALA 26 N 1.61 1.07 -0.71 0.00 0.00 -1.09 -3.24 119.26 116.91 3ias h ALA 26 Ca 0.49 -0.05 0.13 0.00 0.00 0.00 0.00 54.91 55.48 3ias h ALA 26 Cb 1.19 -0.01 -0.13 0.00 0.00 0.00 0.00 17.79 18.84 3ias h ALA 26 CO -0.21 0.06 -0.31 0.82 0.00 0.00 0.00 179.25 179.62 3ias h ILE 27 N 0.00 0.15 0.39 0.00 2.04 -1.38 -0.74 117.51 117.98 3ias h ILE 27 Ca -0.00 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 3ias h ILE 27 Cb 0.37 0.15 -0.03 0.00 -0.74 0.00 0.00 36.82 36.57 3ias h ILE 27 CO 0.01 0.00 -0.48 0.24 0.00 0.00 0.00 178.15 177.92 3ias h MET 28 N -0.09 -0.87 -0.00 2.37 2.86 -1.78 -0.60 114.93 116.81 3ias h MET 28 Ca 0.29 0.06 -0.04 0.00 -2.06 0.00 0.00 59.70 57.94 3ias h MET 28 Cb 0.56 0.20 -0.01 0.00 0.06 0.00 0.00 31.60 32.41 3ias h MET 28 CO -0.76 -0.58 -0.20 -1.00 1.06 0.00 0.00 176.91 175.43 3ias h PRO 29 N -0.90 0.00 0.13 -0.22 0.13 -1.67 0.44 132.00 129.91 3ias h PRO 29 Ca -0.04 -0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.08 3ias h PRO 29 Cb 0.81 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 3ias h PRO 29 CO -0.11 0.20 -0.06 -0.07 -0.23 0.00 0.00 178.00 177.72 3ias h LEU 30 N 0.00 -0.15 -0.84 1.56 3.38 -0.97 -1.70 115.31 116.60 3ias h LEU 30 Ca -0.00 -0.30 0.18 0.00 0.09 0.00 0.00 57.88 57.85 3ias h LEU 30 Cb 0.35 0.04 -0.11 0.00 0.09 0.00 0.00 40.66 41.03 3ias h LEU 30 CO 0.03 0.24 0.34 -0.07 0.09 0.00 0.00 178.44 179.07 3ias h LEU 31 N -0.56 0.29 0.06 1.67 -0.00 -0.77 -1.90 115.31 114.09 3ias h LEU 31 Ca -0.02 0.14 0.03 0.00 -0.00 0.00 0.00 57.88 58.02 3ias h LEU 31 Cb 0.44 0.12 -0.04 0.00 -0.00 0.00 0.00 40.66 41.18 3ias h LEU 31 CO 0.03 0.04 -0.31 -0.09 -0.00 0.00 0.00 178.44 178.11 3ias h ARG 32 N 0.42 -0.48 -0.09 1.13 9.65 -0.50 -2.43 114.38 122.08 3ias h ARG 32 Ca 0.49 0.03 0.04 0.00 -1.10 0.00 0.00 59.98 59.44 3ias h ARG 32 Cb 0.86 0.11 -0.04 0.00 -1.39 0.00 0.00 29.97 29.51 3ias h ARG 32 CO -0.48 -0.32 -0.14 0.00 2.80 0.00 0.00 179.97 181.83 3ias h ARG 33 N -0.50 -0.19 -0.87 0.20 3.08 -0.53 -1.19 114.38 114.40 3ias h ARG 33 Ca 0.05 0.01 0.25 0.00 0.07 0.00 0.00 59.98 60.36 3ias h ARG 33 Cb 0.55 0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.61 3ias h ARG 33 CO -0.22 -0.12 0.62 0.28 -1.07 0.00 0.00 179.97 179.45 3ias h VAL 34 N -0.19 0.58 0.12 2.04 2.07 -1.21 -1.82 116.25 117.83 3ias h VAL 34 Ca 0.08 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.58 3ias h VAL 34 Cb 0.30 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 30.61 3ias h VAL 34 CO -0.20 0.01 -0.06 1.56 0.02 0.00 0.00 177.57 178.89 3ias h GLN 35 N 0.04 -0.16 0.00 1.57 1.08 -0.74 -2.17 115.11 114.72 3ias h GLN 35 Ca 0.42 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.63 3ias h GLN 35 Cb 1.60 0.04 0.00 0.00 -0.05 0.00 0.00 27.48 29.07 3ias h GLN 35 CO -0.02 -0.11 0.22 0.00 -0.95 0.00 0.00 178.83 177.97 3ias n GLN 36 N -2.88 0.11 -0.11 1.46 10.64 -0.97 -1.03 117.38 124.59 3ias n GLN 36 Ca -0.02 0.59 -0.24 0.00 -1.83 0.00 0.00 57.00 55.50 3ias n GLN 36 Cb 0.07 -2.06 -0.11 0.00 -0.86 0.00 0.00 30.24 27.27 3ias n GLN 36 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 3ias n GLU 37 N -2.12 0.59 0.00 2.61 -0.58 -0.72 -4.70 120.64 115.72 3ias n GLU 37 Ca -0.01 0.45 0.07 0.00 -0.42 0.00 0.00 57.16 57.25 3ias n GLU 37 Cb 0.24 -1.66 0.03 0.00 -0.57 0.00 0.00 31.44 29.49 3ias n GLU 37 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 3ias n GLU 38 N -4.29 1.42 0.00 3.49 1.02 -0.82 -4.98 120.64 116.49 3ias n GLU 38 Ca -0.40 -1.10 0.00 0.00 -0.02 0.00 0.00 57.16 55.65 3ias n GLU 38 Cb 0.78 -1.26 0.00 0.00 -0.02 0.00 0.00 31.44 30.94 3ias n GLU 38 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ias n GLY 39 N 0.95 2.93 3.75 0.62 0.00 -0.20 -4.90 105.19 108.34 3ias n GLY 39 Ca 0.07 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.05 3ias n GLY 39 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3ias s TRP 40 N -1.22 -0.15 -0.22 1.61 1.48 -1.26 -4.17 118.94 115.00 3ias s TRP 40 Ca 0.00 -0.16 -0.07 0.00 -1.06 0.00 0.00 56.10 54.81 3ias s TRP 40 Cb 0.00 0.64 -0.03 0.00 -1.16 0.00 0.00 33.47 32.92 3ias s TRP 40 CO 0.00 -0.85 0.06 0.42 -4.06 0.00 0.00 176.95 172.52 3ias s ILE 41 N -3.35 4.44 0.13 0.66 1.01 -0.79 -4.65 121.20 118.65 3ias s ILE 41 Ca 0.12 -0.14 -0.10 0.00 0.00 0.00 0.00 60.65 60.52 3ias s ILE 41 Cb -0.02 -3.04 -0.06 0.00 0.01 0.00 0.00 42.46 39.35 3ias s ILE 41 CO 0.02 0.38 0.46 -0.13 0.00 0.00 0.00 174.94 175.68 3ias s ARG 42 N 1.14 3.80 0.38 2.79 0.52 -1.26 -4.66 118.95 121.67 3ias s ARG 42 Ca 0.04 0.24 0.20 0.00 -0.52 0.00 0.00 55.73 55.69 3ias s ARG 42 Cb -0.14 -2.89 1.19 0.00 0.52 0.00 0.00 34.95 33.62 3ias s ARG 42 CO 0.03 0.48 1.68 -1.00 0.02 0.00 0.00 175.30 176.51 3ias h PRO 43 N 3.34 0.27 -0.34 3.54 0.13 -1.98 0.11 132.00 137.07 3ias h PRO 43 Ca -0.48 -0.02 0.01 0.00 -0.87 0.00 0.00 66.00 64.64 3ias h PRO 43 Cb 1.18 -0.06 -0.02 0.00 0.13 0.00 0.00 31.00 32.24 3ias h PRO 43 CO 0.68 0.18 0.22 0.93 -0.23 0.00 0.00 178.00 179.77 3ias h GLU 44 N 0.28 0.43 -0.93 0.86 3.07 -1.99 -1.33 114.58 114.97 3ias h GLU 44 Ca 0.72 -0.03 0.11 0.00 -0.50 0.00 0.00 59.36 59.66 3ias h GLU 44 Cb 1.89 -0.10 -0.07 0.00 -0.84 0.00 0.00 28.75 29.63 3ias h GLU 44 CO -0.46 0.29 0.59 0.00 -1.40 0.00 0.00 179.01 178.03 3ias h ARG 45 N 0.44 0.88 -0.20 2.33 2.47 -1.17 0.11 114.38 119.25 3ias h ARG 45 Ca 0.13 -0.05 -0.10 0.00 -1.26 0.00 0.00 59.98 58.69 3ias h ARG 45 Cb -0.04 -0.20 -0.00 0.00 -1.65 0.00 0.00 29.97 28.08 3ias h ARG 45 CO -0.03 0.58 -0.27 0.82 0.56 0.00 0.00 179.97 181.62 3ias h ILE 46 N 0.90 1.33 -0.72 2.04 2.04 -1.17 0.25 117.51 122.19 3ias h ILE 46 Ca 0.44 -1.47 0.10 0.00 1.00 0.00 0.00 64.86 64.92 3ias h ILE 46 Cb 0.46 1.81 -0.07 0.00 -0.74 0.00 0.00 36.82 38.27 3ias h ILE 46 CO -0.20 0.45 0.35 -0.33 0.00 0.00 0.00 178.15 178.42 3ias h GLU 47 N 0.21 0.57 0.33 2.37 5.08 -0.12 0.05 114.58 123.07 3ias h GLU 47 Ca 0.02 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 3ias h GLU 47 Cb 0.85 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.97 3ias h GLU 47 CO 0.06 0.38 -0.16 1.49 -1.00 0.00 0.00 179.01 179.79 3ias h GLU 48 N 0.59 -0.42 -1.14 2.33 4.81 -0.55 -2.95 114.58 117.24 3ias h GLU 48 Ca 0.36 0.03 0.42 0.00 -0.13 0.00 0.00 59.36 60.04 3ias h GLU 48 Cb 0.40 0.10 -0.16 0.00 0.63 0.00 0.00 28.75 29.72 3ias h GLU 48 CO -0.28 -0.28 0.68 0.82 -0.73 0.00 0.00 179.01 179.21 3ias h ILE 49 N -0.48 0.07 0.35 2.32 2.04 -0.36 0.81 117.51 122.25 3ias h ILE 49 Ca -0.04 -0.02 -0.01 0.00 1.00 0.00 0.00 64.86 65.78 3ias h ILE 49 Cb 0.33 -0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.41 3ias h ILE 49 CO 0.07 0.01 -0.27 0.00 0.00 0.00 0.00 178.15 177.97 3ias h ALA 50 N 1.82 -1.03 -0.78 1.87 0.00 -0.89 0.18 119.26 120.43 3ias h ALA 50 Ca 0.84 -0.12 0.11 0.00 0.00 0.00 0.00 54.91 55.74 3ias h ALA 50 Cb 2.36 0.44 -0.08 0.00 0.00 0.00 0.00 17.79 20.51 3ias h ALA 50 CO -0.62 -1.03 0.40 0.00 0.00 0.00 0.00 179.25 178.00 3ias h ARG 51 N -0.59 0.62 -0.97 0.00 3.08 -0.90 -0.79 114.38 114.83 3ias h ARG 51 Ca -0.05 -0.04 0.04 0.00 0.07 0.00 0.00 59.98 60.00 3ias h ARG 51 Cb 0.49 -0.14 -0.06 0.00 0.08 0.00 0.00 29.97 30.35 3ias h ARG 51 CO 0.01 0.41 0.64 -0.07 -1.07 0.00 0.00 179.97 179.89 3ias h LEU 52 N 0.64 1.06 -0.39 3.04 3.38 -0.64 -2.76 115.31 119.64 3ias h LEU 52 Ca 0.40 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.36 3ias h LEU 52 Cb 0.46 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3ias h LEU 52 CO -0.30 0.72 -0.60 0.55 0.09 0.00 0.00 178.44 178.91 3ias n VAL 53 N -4.44 0.00 -1.65 1.22 3.14 0.60 -4.99 118.33 112.22 3ias n VAL 53 Ca 0.13 -0.10 0.00 0.00 -2.96 0.00 0.00 64.34 61.41 3ias n VAL 53 Cb 0.10 0.80 0.00 0.00 -1.06 0.00 0.00 33.84 33.68 3ias n VAL 53 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3ias n GLY 54 N 1.44 0.55 0.05 7.55 0.00 -0.40 -4.02 105.19 110.36 3ias n GLY 54 Ca 0.07 -0.41 -0.00 0.00 0.00 0.00 0.00 46.02 45.69 3ias n GLY 54 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3ias n THR 55 N -1.01 0.00 -3.32 2.61 5.66 -1.04 -4.97 114.28 112.21 3ias n THR 55 Ca 0.00 -0.02 -0.31 0.00 -3.05 0.00 0.00 64.05 60.67 3ias n THR 55 Cb 0.39 0.01 -0.05 0.00 -1.55 0.00 0.00 70.33 69.14 3ias n THR 55 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3ias s THR 56 N -2.81 4.93 0.36 1.09 -4.23 -1.26 -4.21 115.64 109.52 3ias s THR 56 Ca 0.00 0.40 0.07 0.00 -1.18 0.00 0.00 61.69 60.98 3ias s THR 56 Cb -0.00 -3.66 0.30 0.00 1.34 0.00 0.00 72.50 70.48 3ias s THR 56 CO 0.00 -0.20 1.94 -0.65 -0.54 0.00 0.00 174.62 175.18 3ias h PRO 57 N 2.15 0.71 0.55 3.99 0.11 -1.89 -2.59 132.00 135.02 3ias h PRO 57 Ca -0.47 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.58 3ias h PRO 57 Cb 1.18 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 3ias h PRO 57 CO 0.68 0.47 -0.36 1.15 -0.21 0.00 0.00 178.00 179.73 3ias h THR 58 N 0.73 0.27 -0.74 -1.15 2.02 -1.95 -1.34 112.91 110.76 3ias h THR 58 Ca 0.34 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.67 3ias h THR 58 Cb 0.37 0.27 -0.10 0.00 -1.74 0.00 0.00 68.15 66.96 3ias h THR 58 CO -0.12 0.00 0.25 -0.33 0.37 0.00 0.00 175.52 175.69 3ias h GLU 59 N -0.86 0.37 -0.15 6.66 4.39 -1.87 0.27 114.58 123.39 3ias h GLU 59 Ca -0.06 -0.02 -0.10 0.00 0.34 0.00 0.00 59.36 59.52 3ias h GLU 59 Cb 0.71 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.26 3ias h GLU 59 CO 0.05 0.24 -0.33 0.28 -1.16 0.00 0.00 179.01 178.09 3ias h VAL 60 N 0.38 1.28 0.39 3.13 2.07 -1.37 -1.57 116.25 120.56 3ias h VAL 60 Ca 0.41 -1.34 -0.02 0.00 0.82 0.00 0.00 66.70 66.57 3ias h VAL 60 Cb 0.64 1.53 0.00 0.00 -1.52 0.00 0.00 31.29 31.95 3ias h VAL 60 CO -0.43 0.41 -0.19 -0.03 0.02 0.00 0.00 177.57 177.35 3ias h MET 61 N 0.26 -0.50 -0.57 1.57 1.85 0.18 -0.76 114.93 116.95 3ias h MET 61 Ca 0.03 0.03 0.10 0.00 -0.61 0.00 0.00 59.70 59.26 3ias h MET 61 Cb 0.71 0.11 -0.08 0.00 0.43 0.00 0.00 31.60 32.78 3ias h MET 61 CO 0.05 -0.29 0.13 0.78 -0.40 0.00 0.00 176.91 177.18 3ias h GLY 62 N -0.59 0.72 1.02 1.39 0.00 -0.93 -0.94 103.07 103.73 3ias h GLY 62 Ca -0.05 -0.04 -0.04 0.00 0.00 0.00 0.00 47.33 47.19 3ias h GLY 62 CO 0.09 -0.08 0.25 -2.08 0.00 0.00 0.00 176.54 174.71 3ias h VAL 63 N 0.27 1.24 -0.30 4.60 2.07 -1.14 -3.07 116.25 119.92 3ias h VAL 63 Ca 0.29 -0.79 -0.12 0.00 0.82 0.00 0.00 66.70 66.89 3ias h VAL 63 Cb 0.41 0.51 -0.00 0.00 -1.52 0.00 0.00 31.29 30.68 3ias h VAL 63 CO -0.36 0.31 -0.29 0.00 0.02 0.00 0.00 177.57 177.26 3ias h ALA 64 N 1.11 0.44 0.00 1.67 0.00 -0.36 -3.11 119.26 119.01 3ias h ALA 64 Ca 0.22 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3ias h ALA 64 Cb 0.24 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3ias h ALA 64 CO -0.01 0.46 0.00 -1.13 0.00 0.00 0.00 179.25 178.56 3ias n SER 65 N -4.25 0.00 -0.05 0.00 3.41 -0.43 -3.02 113.62 109.27 3ias n SER 65 Ca -0.04 0.22 -0.15 0.00 -0.26 0.00 0.00 58.87 58.65 3ias n SER 65 Cb 0.47 -0.36 -0.07 0.00 -0.26 0.00 0.00 64.21 63.99 3ias n SER 65 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 3ias h PHE 66 N 0.00 0.79 -3.10 7.33 3.04 -1.46 -3.47 116.94 120.08 3ias h PHE 66 Ca 0.00 -0.30 -0.48 0.00 3.98 0.00 0.00 57.97 61.16 3ias h PHE 66 Cb 0.18 -0.14 0.02 0.00 2.56 0.00 0.00 35.95 38.57 3ias h PHE 66 CO 0.00 1.07 -0.08 0.71 -2.02 0.00 0.00 178.31 177.99 3ias s TYR 67 N -3.96 3.52 0.03 0.41 1.51 -1.17 -5.03 117.35 112.66 3ias s TYR 67 Ca -0.12 0.53 0.10 0.00 -1.01 0.00 0.00 57.07 56.57 3ias s TYR 67 Cb 0.07 -2.05 -0.19 0.00 -0.11 0.00 0.00 41.96 39.68 3ias s TYR 67 CO 0.84 -0.02 1.06 0.77 -1.11 0.00 0.00 175.55 177.09 3ias h SER 68 N 0.60 0.00 -0.02 2.29 0.02 -1.90 -3.38 113.55 111.16 3ias h SER 68 Ca -0.49 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.44 3ias h SER 68 Cb 1.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.75 3ias h SER 68 CO 0.62 0.93 -0.08 0.22 -1.14 0.00 0.00 176.83 177.38 3ias h TYR 69 N 0.00 0.12 -2.99 3.45 3.20 -1.96 -3.43 116.97 115.36 3ias h TYR 69 Ca -0.11 -0.05 -0.55 0.00 3.14 0.00 0.00 58.73 61.16 3ias h TYR 69 Cb 1.80 -0.02 0.08 0.00 1.54 0.00 0.00 36.73 40.13 3ias h TYR 69 CO 0.00 0.71 0.82 0.66 -1.64 0.00 0.00 178.16 178.72 3ias n TYR 70 N -4.69 2.63 -4.06 -3.82 4.01 -1.26 -4.99 117.16 104.99 3ias n TYR 70 Ca -0.09 0.27 -0.29 0.00 -0.16 0.00 0.00 57.90 57.64 3ias n TYR 70 Cb 0.36 -2.57 -0.06 0.00 -0.31 0.00 0.00 39.34 36.76 3ias n TYR 70 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 3ias s GLN 71 N -0.20 2.92 0.00 -0.72 -1.52 -1.26 -5.00 119.66 113.89 3ias s GLN 71 Ca 0.67 -0.75 0.00 0.00 -1.95 0.00 0.00 55.36 53.33 3ias s GLN 71 Cb -0.55 -2.71 0.00 0.00 -0.22 0.00 0.00 33.01 29.53 3ias s GLN 71 CO 0.46 0.53 0.53 1.19 -0.25 0.00 0.00 175.29 177.75 3ias n PHE 72 N 0.11 0.00 -4.51 0.91 3.01 -1.26 -1.89 117.46 113.83 3ias n PHE 72 Ca -0.08 -0.08 -0.22 0.00 1.01 0.00 0.00 57.45 58.08 3ias n PHE 72 Cb 0.53 -0.01 -0.14 0.00 -0.01 0.00 0.00 39.48 39.85 3ias n PHE 72 CO 0.00 0.00 0.00 0.14 1.01 0.00 0.00 176.76 177.91 3ias s VAL 73 N -0.17 1.20 -0.02 -4.37 -7.23 -1.26 -4.79 120.40 103.77 3ias s VAL 73 Ca 0.00 -0.89 -0.33 0.00 -1.81 0.00 0.00 61.98 58.95 3ias s VAL 73 Cb 0.00 -1.05 -0.16 0.00 0.56 0.00 0.00 36.38 35.73 3ias s VAL 73 CO 0.00 0.15 0.88 -2.65 -0.31 0.00 0.00 175.10 173.17 3ias n PRO 74 N 2.19 0.00 -4.77 4.82 -0.02 -1.26 -4.87 135.00 131.09 3ias n PRO 74 Ca -0.17 0.00 -0.32 0.00 -2.02 0.00 0.00 63.50 60.99 3ias n PRO 74 Cb 0.55 -1.21 -0.12 0.00 -0.02 0.00 0.00 33.50 32.69 3ias n PRO 74 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 3ias s THR 75 N 0.10 3.18 1.13 3.45 -1.32 -1.26 -4.85 115.64 116.06 3ias s THR 75 Ca 0.74 -0.77 -0.17 0.00 -1.21 0.00 0.00 61.69 60.28 3ias s THR 75 Cb -1.03 -2.28 0.14 0.00 -1.51 0.00 0.00 72.50 67.81 3ias s THR 75 CO 0.47 0.53 0.21 0.61 -2.21 0.00 0.00 174.62 174.22 3ias n GLY 76 N 2.08 -2.40 0.29 6.08 0.00 -1.26 -4.90 105.19 105.09 3ias n GLY 76 Ca -0.17 -0.86 -0.04 0.00 0.00 0.00 0.00 46.02 44.95 3ias n GLY 76 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3ias h LYS 77 N -2.18 0.96 -4.51 1.61 3.64 -1.71 -3.35 116.57 111.03 3ias h LYS 77 Ca -0.55 -0.06 -0.70 0.00 -1.27 0.00 0.00 60.65 58.07 3ias h LYS 77 Cb 1.35 -0.22 -0.33 0.00 -0.41 0.00 0.00 32.23 32.63 3ias h LYS 77 CO 0.40 0.63 -0.55 0.71 -2.27 0.00 0.00 179.45 178.38 3ias s TYR 78 N -6.13 3.49 -0.82 1.91 2.02 0.18 -4.94 117.35 113.06 3ias s TYR 78 Ca -0.13 -2.16 -0.17 0.00 -0.37 0.00 0.00 57.07 54.24 3ias s TYR 78 Cb 0.15 -3.04 0.15 0.00 -0.40 0.00 0.00 41.96 38.82 3ias s TYR 78 CO 0.78 -0.93 0.93 -1.58 -1.57 0.00 0.00 175.55 173.17 3ias s HIS 79 N 1.22 3.29 -0.27 2.71 5.65 -1.26 -2.96 115.29 123.67 3ias s HIS 79 Ca 0.05 -1.48 -0.29 0.00 0.25 0.00 0.00 55.06 53.60 3ias s HIS 79 Cb -0.23 -4.08 -0.02 0.00 -1.18 0.00 0.00 32.58 27.07 3ias s HIS 79 CO -0.02 -1.30 1.70 -0.51 -0.65 0.00 0.00 174.74 173.96 3ias s LEU 80 N 1.91 3.71 -0.31 8.88 1.43 -0.73 -4.29 118.68 129.28 3ias s LEU 80 Ca 0.24 1.47 -0.12 0.00 -1.03 0.00 0.00 54.13 54.69 3ias s LEU 80 Cb -0.11 -3.53 -0.03 0.00 0.03 0.00 0.00 46.19 42.56 3ias s LEU 80 CO -0.06 -1.47 0.20 -1.10 0.23 0.00 0.00 176.35 174.16 3ias s GLN 81 N 5.13 3.63 -0.17 1.70 -0.21 -0.50 -2.12 119.66 127.12 3ias s GLN 81 Ca 0.75 -0.54 -0.08 0.00 0.02 0.00 0.00 55.36 55.51 3ias s GLN 81 Cb -0.24 -3.71 -0.05 0.00 1.00 0.00 0.00 33.01 30.02 3ias s GLN 81 CO 0.32 -0.34 0.12 0.08 -2.12 0.00 0.00 175.29 173.34 3ias s VAL 82 N 1.71 5.32 0.25 1.09 1.01 0.45 -1.78 120.40 128.45 3ias s VAL 82 Ca 0.06 0.15 -0.30 0.00 0.00 0.00 0.00 61.98 61.90 3ias s VAL 82 Cb -0.17 -3.39 -0.09 0.00 0.00 0.00 0.00 36.38 32.74 3ias s VAL 82 CO 0.10 0.50 1.15 0.00 0.00 0.00 0.00 175.10 176.86 3ias n ALA 84 N 1.68 1.11 -0.83 0.00 0.00 -0.97 -4.83 120.51 116.67 3ias n ALA 84 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.15 3ias n ALA 84 Cb 0.44 0.00 0.17 0.00 0.00 0.00 0.00 19.45 20.07 3ias n ALA 84 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3ias s THR 85 N -0.56 2.33 0.10 0.00 2.01 -1.26 -4.42 115.64 113.84 3ias s THR 85 Ca 0.00 0.11 -0.20 0.00 0.31 0.00 0.00 61.69 61.91 3ias s THR 85 Cb 0.00 -2.28 -0.05 0.00 0.01 0.00 0.00 72.50 70.18 3ias s THR 85 CO 0.00 -0.14 1.31 -0.11 -0.69 0.00 0.00 174.62 174.99 3ias n LEU 86 N -4.25 -0.69 -0.33 4.42 7.94 -1.26 -1.07 117.00 121.77 3ias n LEU 86 Ca 0.08 1.47 0.16 0.00 -1.11 0.00 0.00 56.01 56.61 3ias n LEU 86 Cb 0.53 -0.30 0.36 0.00 0.53 0.00 0.00 43.42 44.54 3ias n LEU 86 CO 0.53 -1.10 1.10 -1.28 -1.11 0.00 0.00 177.39 175.53 3ias h SER 87 N 0.00 0.49 1.18 1.96 0.87 -1.97 0.61 113.55 116.69 3ias h SER 87 Ca 0.10 0.15 -0.13 0.00 -1.23 0.00 0.00 61.79 60.69 3ias h SER 87 Cb 0.27 0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.30 3ias h SER 87 CO -0.61 0.02 -0.62 0.00 -0.53 0.00 0.00 176.83 175.09 3ias h LYS 89 N 0.00 0.33 0.00 0.00 3.64 0.10 -0.06 116.57 120.59 3ias h LYS 89 Ca -0.01 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3ias h LYS 89 Cb 1.38 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.12 3ias h LYS 89 CO 0.08 0.22 0.00 1.28 -2.27 0.00 0.00 179.45 178.76 3ias n LEU 90 N -4.96 0.00 -0.18 5.20 4.32 -0.74 -0.72 117.00 119.93 3ias n LEU 90 Ca 0.01 0.00 0.04 0.00 -0.02 0.00 0.00 56.01 56.04 3ias n LEU 90 Cb 0.09 0.00 -0.00 0.00 -1.62 0.00 0.00 43.42 41.89 3ias n LEU 90 CO 0.30 0.00 0.19 0.00 -1.22 0.00 0.00 177.39 176.66 3ias n ALA 91 N -0.71 2.72 0.00 -1.18 0.00 -0.37 -4.98 120.51 115.99 3ias n ALA 91 Ca 0.07 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.11 3ias n ALA 91 Cb 0.03 -0.28 0.00 0.00 0.00 0.00 0.00 19.45 19.20 3ias n ALA 91 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ias n GLY 92 N 0.81 1.35 0.45 0.00 0.00 0.10 -4.51 105.19 103.40 3ias n GLY 92 Ca 0.03 0.00 0.27 0.00 0.00 0.00 0.00 46.02 46.32 3ias n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ias h ALA 93 N 0.00 2.60 0.04 4.61 0.00 -1.08 -0.96 119.26 124.47 3ias h ALA 93 Ca 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3ias h ALA 93 Cb 0.00 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3ias h ALA 93 CO 0.00 -0.94 -0.02 0.93 0.00 0.00 0.00 179.25 179.22 3ias h GLU 94 N 0.20 -0.05 -0.96 0.00 5.08 -1.84 -2.40 114.58 114.62 3ias h GLU 94 Ca 0.53 0.00 0.18 0.00 -1.00 0.00 0.00 59.36 59.07 3ias h GLU 94 Cb 1.70 0.01 -0.10 0.00 0.50 0.00 0.00 28.75 30.86 3ias h GLU 94 CO -0.14 0.50 0.55 0.93 -1.00 0.00 0.00 179.01 179.85 3ias h GLU 95 N -0.63 0.69 0.15 2.33 5.08 -1.57 0.21 114.58 120.83 3ias h GLU 95 Ca -0.01 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 3ias h GLU 95 Cb 0.57 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.66 3ias h GLU 95 CO 0.01 0.46 -0.07 1.25 -1.00 0.00 0.00 179.01 179.65 3ias h LEU 96 N 0.71 -0.17 -0.95 1.33 5.85 -1.48 -0.66 115.31 119.95 3ias h LEU 96 Ca 0.55 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 59.25 3ias h LEU 96 Cb 0.83 0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.86 3ias h LEU 96 CO -0.38 -0.10 0.57 -0.25 -0.34 0.00 0.00 178.44 177.93 3ias h TRP 97 N -0.22 1.25 0.21 1.25 2.91 -0.56 0.42 115.95 121.21 3ias h TRP 97 Ca -0.02 -0.00 -0.01 0.00 1.13 0.00 0.00 58.89 59.99 3ias h TRP 97 Cb 0.17 -0.41 -0.00 0.00 -0.51 0.00 0.00 29.16 28.41 3ias h TRP 97 CO -0.06 0.83 -0.11 -0.44 -1.03 0.00 0.00 178.44 177.63 3ias h ASP 98 N 1.31 -0.27 0.30 2.65 3.32 -0.51 -1.81 116.42 121.41 3ias h ASP 98 Ca 0.34 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.39 3ias h ASP 98 Cb -0.06 0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.57 3ias h ASP 98 CO -0.06 -0.19 -0.14 0.22 -1.72 0.00 0.00 179.24 177.35 3ias h TYR 99 N -0.30 -0.37 -0.90 4.55 3.20 -0.55 0.39 116.97 123.00 3ias h TYR 99 Ca -0.02 -0.01 0.13 0.00 3.14 0.00 0.00 58.73 61.97 3ias h TYR 99 Cb 0.24 0.12 -0.07 0.00 1.54 0.00 0.00 36.73 38.56 3ias h TYR 99 CO -0.07 -0.15 0.58 1.25 -1.64 0.00 0.00 178.16 178.12 3ias h LEU 100 N -0.51 0.70 0.04 2.82 5.85 -0.18 0.15 115.31 124.18 3ias h LEU 100 Ca -0.04 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 3ias h LEU 100 Cb 0.38 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.31 3ias h LEU 100 CO 0.07 0.37 -0.02 0.74 -0.34 0.00 0.00 178.44 179.26 3ias h THR 101 N 0.75 0.45 -0.94 1.05 2.02 -1.11 -2.57 112.91 112.57 3ias h THR 101 Ca 0.44 -1.28 0.26 0.00 0.77 0.00 0.00 66.41 66.61 3ias h THR 101 Cb 0.64 0.84 -0.17 0.00 -1.74 0.00 0.00 68.15 67.72 3ias h THR 101 CO -0.21 0.15 0.12 -0.08 0.37 0.00 0.00 175.52 175.87 3ias h GLU 102 N -1.00 0.07 0.11 6.66 4.81 0.01 0.98 114.58 126.22 3ias h GLU 102 Ca -0.01 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 3ias h GLU 102 Cb 0.28 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.65 3ias h GLU 102 CO 0.01 0.04 -0.05 1.15 -0.73 0.00 0.00 179.01 179.43 3ias h THR 103 N 0.07 0.00 0.00 0.32 2.02 -0.79 -3.25 112.91 111.28 3ias h THR 103 Ca 0.59 -0.04 -0.00 0.00 0.77 0.00 0.00 66.41 67.72 3ias h THR 103 Cb 1.23 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 67.64 3ias h THR 103 CO -0.82 0.00 -0.00 -0.07 0.37 0.00 0.00 175.52 175.00 3ias h LEU 104 N -0.19 0.00 1.12 2.58 3.38 -1.14 -3.46 115.31 117.60 3ias h LEU 104 Ca -0.02 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.72 3ias h LEU 104 Cb 0.11 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.81 3ias h LEU 104 CO 0.02 0.00 -0.26 0.61 0.09 0.00 0.00 178.44 178.91 3ias n GLY 105 N -1.11 0.57 3.49 0.83 0.00 0.34 -4.89 105.19 104.42 3ias n GLY 105 Ca -0.03 -0.44 -0.33 0.00 0.00 0.00 0.00 46.02 45.22 3ias n GLY 105 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ias s ILE 106 N -2.51 3.22 0.81 -0.61 1.01 -1.23 -5.04 121.20 116.85 3ias s ILE 106 Ca 0.00 -0.66 -0.08 0.00 0.00 0.00 0.00 60.65 59.91 3ias s ILE 106 Cb 0.00 -2.28 0.13 0.00 0.01 0.00 0.00 42.46 40.32 3ias s ILE 106 CO 0.00 0.59 1.13 -0.83 0.00 0.00 0.00 174.94 175.82 3ias s GLY 107 N -0.66 1.74 0.16 6.18 0.00 -1.26 -4.80 107.32 108.69 3ias s GLY 107 Ca 0.10 -1.27 -0.12 0.00 0.00 0.00 0.00 44.72 43.42 3ias s GLY 107 CO 0.01 -0.68 1.70 -0.56 0.00 0.00 0.00 173.10 173.57 3ias h PRO 108 N -0.97 0.85 -0.29 2.90 0.13 -2.01 -2.89 132.00 129.72 3ias h PRO 108 Ca -0.42 -0.17 0.00 0.00 -0.87 0.00 0.00 66.00 64.54 3ias h PRO 108 Cb 1.27 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 3ias h PRO 108 CO 0.46 0.76 0.18 0.78 -0.23 0.00 0.00 178.00 179.95 3ias h GLY 109 N 0.77 0.42 -1.10 1.56 0.00 -1.95 -3.40 103.07 99.38 3ias h GLY 109 Ca 0.18 -0.16 -0.44 0.00 0.00 0.00 0.00 47.33 46.91 3ias h GLY 109 CO -0.01 0.16 0.25 1.18 0.00 0.00 0.00 176.54 178.12 3ias n GLU 110 N -4.48 -0.65 -3.80 4.80 1.02 -1.09 -4.97 120.64 111.47 3ias n GLU 110 Ca 0.01 -2.37 -0.13 0.00 -0.02 0.00 0.00 57.16 54.65 3ias n GLU 110 Cb 0.08 -0.97 -0.14 0.00 -0.02 0.00 0.00 31.44 30.38 3ias n GLU 110 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3ias s VAL 111 N -3.42 -0.03 0.55 2.62 0.11 -1.26 -4.46 120.40 114.51 3ias s VAL 111 Ca 0.69 0.11 -0.19 0.00 -2.93 0.00 0.00 61.98 59.65 3ias s VAL 111 Cb -0.03 -0.13 -0.08 0.00 -1.53 0.00 0.00 36.38 34.62 3ias s VAL 111 CO 0.47 0.04 0.75 1.07 -3.33 0.00 0.00 175.10 174.11 3ias n THR 112 N 3.65 2.78 -0.17 5.04 5.66 -0.50 -4.81 114.28 125.93 3ias n THR 112 Ca -0.20 -0.50 -0.02 0.00 -3.05 0.00 0.00 64.05 60.28 3ias n THR 112 Cb 0.55 -0.91 0.06 0.00 -1.55 0.00 0.00 70.33 68.48 3ias n THR 112 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 175.07 173.57 3ias h PRO 113 N 0.55 0.07 0.00 1.09 0.13 -1.92 0.12 132.00 132.04 3ias h PRO 113 Ca -0.46 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3ias h PRO 113 Cb 1.38 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.49 3ias h PRO 113 CO 0.50 0.05 0.00 0.38 -0.23 0.00 0.00 178.00 178.70 3ias h ASP 114 N 0.07 0.00 -3.90 1.44 2.03 -1.99 -3.47 116.42 110.60 3ias h ASP 114 Ca 0.26 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 56.53 3ias h ASP 114 Cb 0.40 0.00 0.02 0.00 -0.83 0.00 0.00 39.33 38.92 3ias h ASP 114 CO -0.47 0.00 -0.10 0.61 -1.03 0.00 0.00 179.24 178.26 3ias n GLY 115 N -0.82 -0.42 0.00 7.15 0.00 0.42 -4.99 105.19 106.53 3ias n GLY 115 Ca -0.00 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3ias n GLY 115 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 3ias n LEU 116 N -1.54 0.00 -3.85 0.99 -0.00 -1.26 -4.24 117.00 107.09 3ias n LEU 116 Ca -0.01 0.00 -0.27 0.00 -0.00 0.00 0.00 56.01 55.73 3ias n LEU 116 Cb 0.51 0.00 -0.17 0.00 -0.00 0.00 0.00 43.42 43.77 3ias n LEU 116 CO 0.21 0.12 -0.41 -0.36 -0.00 0.00 0.00 177.39 176.94 3ias s PHE 117 N 0.00 1.42 0.26 1.47 0.08 -1.26 0.52 117.98 120.47 3ias s PHE 117 Ca 0.00 -0.87 0.09 0.00 0.12 0.00 0.00 56.93 56.27 3ias s PHE 117 Cb 0.00 -1.19 -0.04 0.00 -0.57 0.00 0.00 43.02 41.22 3ias s PHE 117 CO 0.00 -0.56 0.07 -1.12 -0.10 0.00 0.00 175.22 173.51 3ias s SER 118 N 1.73 4.90 0.19 1.36 0.01 -1.16 -1.42 113.70 119.31 3ias s SER 118 Ca 0.02 -0.50 0.08 0.00 1.31 0.00 0.00 55.95 56.85 3ias s SER 118 Cb -0.15 -1.05 -0.05 0.00 0.21 0.00 0.00 66.02 64.99 3ias s SER 118 CO -0.07 -0.01 -0.15 0.68 0.41 0.00 0.00 173.24 174.10 3ias s VAL 119 N -2.24 1.69 -0.30 3.43 -7.23 -1.26 -1.77 120.40 112.72 3ias s VAL 119 Ca 0.32 -2.12 -0.16 0.00 -1.81 0.00 0.00 61.98 58.21 3ias s VAL 119 Cb -0.07 -1.96 0.16 0.00 0.56 0.00 0.00 36.38 35.07 3ias s VAL 119 CO 0.22 -0.55 1.01 -1.58 -0.31 0.00 0.00 175.10 173.89 3ias s GLN 120 N -3.45 0.29 0.29 4.82 0.74 -0.90 -4.50 119.66 116.95 3ias s GLN 120 Ca 0.20 0.65 -0.29 0.00 0.05 0.00 0.00 55.36 55.97 3ias s GLN 120 Cb -0.02 0.29 -0.10 0.00 1.10 0.00 0.00 33.01 34.29 3ias s GLN 120 CO 0.06 -0.09 1.16 0.15 -0.55 0.00 0.00 175.29 176.03 3ias s LYS 121 N 2.03 4.56 0.22 1.67 1.02 -1.26 -0.41 119.74 127.56 3ias s LYS 121 Ca -0.05 1.93 0.02 0.00 0.02 0.00 0.00 55.97 57.89 3ias s LYS 121 Cb -0.05 -3.16 -0.01 0.00 -0.52 0.00 0.00 37.83 34.10 3ias s LYS 121 CO -0.16 0.09 0.08 0.28 -0.92 0.00 0.00 175.35 174.72 3ias n VAL 122 N 1.09 0.00 -2.19 3.17 0.31 0.23 -4.82 118.33 116.11 3ias n VAL 122 Ca -0.01 -1.28 0.00 0.00 -0.01 0.00 0.00 64.34 63.04 3ias n VAL 122 Cb 0.44 0.45 0.00 0.00 -0.91 0.00 0.00 33.84 33.82 3ias n VAL 122 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3ias n GLU 123 N -0.50 0.88 -1.84 5.55 -0.58 -1.26 -2.29 120.64 120.60 3ias n GLU 123 Ca -0.03 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.29 3ias n GLU 123 Cb 0.33 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 31.17 3ias n GLU 123 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3ias n LEU 125 N 6.60 3.64 -3.22 0.00 4.77 -1.26 -4.92 117.00 122.61 3ias n LEU 125 Ca 0.18 -1.84 -0.18 0.00 -0.03 0.00 0.00 56.01 54.14 3ias n LEU 125 Cb 0.41 -0.53 0.08 0.00 -2.33 0.00 0.00 43.42 41.05 3ias n LEU 125 CO 0.65 0.55 0.15 0.61 -1.33 0.00 0.00 177.39 178.01 3ias n GLY 126 N 0.69 -0.33 2.69 -0.72 0.00 -1.26 -4.91 105.19 101.35 3ias n GLY 126 Ca 0.18 0.09 -0.06 0.00 0.00 0.00 0.00 46.02 46.22 3ias n GLY 126 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3ias n SER 127 N -2.77 -1.22 -0.13 1.61 3.41 -1.26 -5.00 113.62 108.27 3ias n SER 127 Ca -0.15 -2.45 0.03 0.00 -0.26 0.00 0.00 58.87 56.05 3ias n SER 127 Cb 0.61 0.69 0.34 0.00 -0.26 0.00 0.00 64.21 65.59 3ias n SER 127 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ias h HIS 129 N 0.78 0.00 -1.36 0.00 2.07 -1.96 -1.67 115.15 113.01 3ias h HIS 129 Ca 0.24 0.00 -0.69 0.00 -2.85 0.00 0.00 60.37 57.08 3ias h HIS 129 Cb 0.01 0.00 -0.31 0.00 2.57 0.00 0.00 27.41 29.68 3ias h HIS 129 CO -0.00 0.04 0.58 0.25 -3.07 0.00 0.00 177.93 175.73 3ias n THR 130 N -4.43 3.37 -2.07 6.12 -2.24 -0.67 -4.87 114.28 109.49 3ias n THR 130 Ca -0.03 -3.75 -0.30 0.00 -2.27 0.00 0.00 64.05 57.70 3ias n THR 130 Cb 0.12 -1.20 0.01 0.00 -2.10 0.00 0.00 70.33 67.17 3ias n THR 130 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ias s ALA 131 N -3.86 3.16 0.54 6.98 0.00 -0.63 -1.68 121.76 126.27 3ias s ALA 131 Ca 0.57 -0.22 -0.17 0.00 0.00 0.00 0.00 51.96 52.14 3ias s ALA 131 Cb 0.46 -2.95 -0.06 0.00 0.00 0.00 0.00 23.12 20.57 3ias s ALA 131 CO -0.16 -0.64 1.02 -1.25 0.00 0.00 0.00 175.76 174.73 3ias s PRO 132 N -5.08 3.68 0.02 0.00 0.04 -1.26 -4.49 135.00 127.91 3ias s PRO 132 Ca 0.53 1.14 0.07 0.00 0.04 0.00 0.00 61.00 62.79 3ias s PRO 132 Cb -0.11 -2.09 -0.03 0.00 0.04 0.00 0.00 34.50 32.31 3ias s PRO 132 CO 0.51 -0.51 -0.20 0.08 0.04 0.00 0.00 177.00 176.92 3ias s VAL 133 N -2.41 2.61 -0.05 -0.36 1.01 -1.26 -1.21 120.40 118.73 3ias s VAL 133 Ca 0.63 -1.17 0.04 0.00 0.00 0.00 0.00 61.98 61.48 3ias s VAL 133 Cb -0.14 -2.05 -0.00 0.00 0.00 0.00 0.00 36.38 34.19 3ias s VAL 133 CO 0.30 0.40 -0.16 -0.63 0.00 0.00 0.00 175.10 175.01 3ias s ILE 134 N -0.84 1.38 -0.13 2.22 1.01 -1.10 -2.62 121.20 121.11 3ias s ILE 134 Ca 0.13 -0.68 -0.07 0.00 0.00 0.00 0.00 60.65 60.03 3ias s ILE 134 Cb -0.10 -1.19 -0.04 0.00 0.01 0.00 0.00 42.46 41.13 3ias s ILE 134 CO 0.03 0.40 0.14 -1.58 0.00 0.00 0.00 174.94 173.93 3ias s GLN 135 N 0.13 3.57 0.00 2.79 0.74 -0.73 -0.05 119.66 126.11 3ias s GLN 135 Ca -0.06 -0.15 0.00 0.00 0.05 0.00 0.00 55.36 55.20 3ias s GLN 135 Cb -0.12 -3.23 0.00 0.00 1.10 0.00 0.00 33.01 30.76 3ias s GLN 135 CO 0.02 0.69 0.00 0.28 -0.55 0.00 0.00 175.29 175.73 3ias n VAL 136 N 2.28 0.00 0.00 1.34 0.31 -1.26 -1.40 118.33 119.60 3ias n VAL 136 Ca -0.19 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 3ias n VAL 136 Cb 0.54 -0.01 0.00 0.00 -0.91 0.00 0.00 33.84 33.47 3ias n VAL 136 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 3ias n ASN 137 N 0.00 0.00 -0.90 4.52 3.02 -1.26 -4.24 115.26 116.40 3ias n ASN 137 Ca 0.00 0.00 0.08 0.00 -0.03 0.00 0.00 54.58 54.63 3ias n ASN 137 Cb 0.00 0.00 0.25 0.00 -0.61 0.00 0.00 39.78 39.42 3ias n ASN 137 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 3ias n ASP 138 N 0.00 3.78 -4.53 6.41 5.75 -1.26 -5.00 116.55 121.71 3ias n ASP 138 Ca 0.00 -3.06 -0.25 0.00 -0.01 0.00 0.00 54.79 51.47 3ias n ASP 138 Cb 0.00 -0.55 -0.11 0.00 -1.03 0.00 0.00 41.12 39.43 3ias n ASP 138 CO 0.00 0.00 0.00 -1.83 -0.11 0.00 0.00 177.20 175.26 3ias s GLU 139 N -2.86 1.79 0.05 0.11 -1.05 -1.26 -5.10 118.70 110.39 3ias s GLU 139 Ca 0.42 -1.99 -0.08 0.00 -0.15 0.00 0.00 54.97 53.17 3ias s GLU 139 Cb 0.35 -1.31 -0.05 0.00 -0.44 0.00 0.00 34.13 32.68 3ias s GLU 139 CO 0.08 -0.08 0.15 -2.30 0.95 0.00 0.00 175.26 174.07 3ias n PRO 140 N -0.81 0.00 -2.03 -4.83 -0.02 -1.26 -3.98 135.00 122.06 3ias n PRO 140 Ca -0.04 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.02 3ias n PRO 140 Cb 0.66 -0.29 -0.03 0.00 -0.02 0.00 0.00 33.50 33.83 3ias n PRO 140 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 3ias s TYR 141 N -0.27 3.11 -1.06 6.00 2.02 -1.26 -4.42 117.35 121.47 3ias s TYR 141 Ca 0.18 0.85 -0.22 0.00 -0.37 0.00 0.00 57.07 57.52 3ias s TYR 141 Cb -0.27 -3.81 0.05 0.00 -0.40 0.00 0.00 41.96 37.53 3ias s TYR 141 CO 0.16 -2.85 1.53 0.08 -1.57 0.00 0.00 175.55 172.89 3ias s VAL 142 N 0.76 3.92 0.50 0.71 1.01 0.92 -4.97 120.40 123.26 3ias s VAL 142 Ca 0.65 -0.93 -0.17 0.00 0.00 0.00 0.00 61.98 61.53 3ias s VAL 142 Cb -0.41 -5.02 -0.08 0.00 0.00 0.00 0.00 36.38 30.86 3ias s VAL 142 CO 0.35 -1.89 0.98 -1.61 0.00 0.00 0.00 175.10 172.93 3ias s GLU 143 N 4.98 3.98 -1.11 2.72 2.02 -1.26 -2.71 118.70 127.32 3ias s GLU 143 Ca 0.49 0.99 -0.08 0.00 0.02 0.00 0.00 54.97 56.38 3ias s GLU 143 Cb 0.00 -2.14 -0.04 0.00 0.10 0.00 0.00 34.13 32.05 3ias s GLU 143 CO -0.06 -0.24 0.87 0.00 0.02 0.00 0.00 175.26 175.84 3ias s VAL 145 N -3.44 3.44 0.72 0.00 1.01 -0.35 -4.84 120.40 116.95 3ias s VAL 145 Ca 0.37 -0.29 -0.12 0.00 0.00 0.00 0.00 61.98 61.94 3ias s VAL 145 Cb -0.07 -4.00 0.02 0.00 0.00 0.00 0.00 36.38 32.33 3ias s VAL 145 CO 0.78 -0.95 1.11 0.42 0.00 0.00 0.00 175.10 176.45 3ias s THR 146 N 9.90 3.31 0.18 3.92 -4.23 -1.26 -4.55 115.64 122.90 3ias s THR 146 Ca 0.69 0.43 -0.14 0.00 -1.18 0.00 0.00 61.69 61.49 3ias s THR 146 Cb -0.07 -3.41 0.08 0.00 1.34 0.00 0.00 72.50 70.44 3ias s THR 146 CO 0.02 -0.56 1.74 -0.09 -0.54 0.00 0.00 174.62 175.19 3ias h ARG 147 N -0.72 0.27 0.35 3.99 2.43 -1.99 0.18 114.38 118.88 3ias h ARG 147 Ca -0.45 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 58.69 3ias h ARG 147 Cb 1.26 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.75 3ias h ARG 147 CO 0.64 0.18 -0.17 0.00 -1.51 0.00 0.00 179.97 179.11 3ias h ALA 148 N 1.32 -0.46 -0.94 2.80 0.00 -1.99 -2.65 119.26 117.34 3ias h ALA 148 Ca 0.22 -0.16 0.18 0.00 0.00 0.00 0.00 54.91 55.15 3ias h ALA 148 Cb 0.25 0.18 -0.08 0.00 0.00 0.00 0.00 17.79 18.13 3ias h ALA 148 CO -0.25 -0.66 0.60 -0.09 0.00 0.00 0.00 179.25 178.85 3ias h ARG 149 N -0.66 0.60 0.05 0.00 2.43 -1.76 -2.20 114.38 112.84 3ias h ARG 149 Ca -0.05 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.08 3ias h ARG 149 Cb 0.47 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 3ias h ARG 149 CO 0.08 0.40 -0.03 1.25 -1.51 0.00 0.00 179.97 180.16 3ias h LEU 150 N 0.62 -0.06 -2.51 3.80 7.12 -0.46 -1.00 115.31 122.82 3ias h LEU 150 Ca 0.50 -0.26 0.01 0.00 0.13 0.00 0.00 57.88 58.27 3ias h LEU 150 Cb 0.95 0.02 -0.00 0.00 -0.53 0.00 0.00 40.66 41.10 3ias h LEU 150 CO -0.25 0.23 0.06 -0.33 -0.13 0.00 0.00 178.44 178.02 3ias h GLU 151 N -0.35 0.00 0.11 1.25 5.08 -1.06 0.19 114.58 119.80 3ias h GLU 151 Ca -0.01 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.08 3ias h GLU 151 Cb 0.32 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.59 3ias h GLU 151 CO 0.01 0.00 -1.14 0.00 -1.00 0.00 0.00 179.01 176.88 3ias h ALA 152 N 1.91 -0.01 -0.34 3.43 0.00 -0.91 -0.64 119.26 122.69 3ias h ALA 152 Ca 0.02 -0.75 -0.11 0.00 0.00 0.00 0.00 54.91 54.08 3ias h ALA 152 Cb 0.15 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3ias h ALA 152 CO -0.00 0.62 -0.23 1.25 0.00 0.00 0.00 179.25 180.89 3ias h LEU 153 N 0.17 0.68 0.50 0.00 7.12 0.15 -2.08 115.31 121.86 3ias h LEU 153 Ca -0.17 -0.24 -0.02 0.00 0.13 0.00 0.00 57.88 57.57 3ias h LEU 153 Cb 1.83 -0.19 0.00 0.00 -0.53 0.00 0.00 40.66 41.78 3ias h LEU 153 CO 0.22 0.90 -0.24 -0.07 -0.13 0.00 0.00 178.44 179.11 3ias h LEU 154 N 0.59 -0.57 -2.03 2.25 3.38 -0.73 -2.82 115.31 115.38 3ias h LEU 154 Ca 0.08 0.02 0.11 0.00 0.09 0.00 0.00 57.88 58.18 3ias h LEU 154 Cb 0.71 0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.59 3ias h LEU 154 CO 0.05 -0.27 0.29 0.00 0.09 0.00 0.00 178.44 178.60 3ias h ALA 155 N -1.42 2.31 0.04 1.53 0.00 -1.18 0.17 119.26 120.71 3ias h ALA 155 Ca -0.07 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 3ias h ALA 155 Cb 0.52 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3ias h ALA 155 CO 0.11 -0.49 -0.02 0.78 0.00 0.00 0.00 179.25 179.64 3ias h GLY 156 N 0.00 -0.06 1.28 0.00 0.00 -1.40 -2.71 103.07 100.18 3ias h GLY 156 Ca 0.18 0.02 -0.10 0.00 0.00 0.00 0.00 47.33 47.43 3ias h GLY 156 CO -0.00 -0.02 -0.11 1.41 0.00 0.00 0.00 176.54 177.82 3ias h LEU 157 N -0.47 0.84 -1.59 3.11 3.38 -1.13 -2.43 115.31 117.02 3ias h LEU 157 Ca -0.01 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.71 3ias h LEU 157 Cb 0.43 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.95 3ias h LEU 157 CO 0.01 0.97 0.03 0.03 0.09 0.00 0.00 178.44 179.57 3ias h ARG 158 N 0.76 0.00 -0.41 1.13 3.08 -0.94 0.13 114.38 118.13 3ias h ARG 158 Ca 0.13 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.14 3ias h ARG 158 Cb 0.61 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.64 3ias h ARG 158 CO 0.04 0.00 0.03 0.00 -1.07 0.00 0.00 179.97 178.97 3ias n ALA 159 N -1.80 3.51 0.00 0.04 0.00 -0.93 -4.96 120.51 116.38 3ias n ALA 159 Ca -0.02 -2.26 0.00 0.00 0.00 0.00 0.00 53.44 51.16 3ias n ALA 159 Cb 0.07 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 18.62 3ias n ALA 159 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ias n GLY 160 N -0.19 2.38 3.64 0.00 0.00 0.45 -4.96 105.19 106.51 3ias n GLY 160 Ca 0.26 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.79 3ias n GLY 160 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3ias n LYS 161 N -1.93 1.88 -1.67 1.61 5.02 -1.10 -4.88 118.16 117.08 3ias n LYS 161 Ca 0.00 0.66 -0.47 0.00 -2.02 0.00 0.00 58.31 56.47 3ias n LYS 161 Cb 0.00 -2.61 -0.04 0.00 -0.02 0.00 0.00 35.03 32.35 3ias n LYS 161 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 3ias n ARG 162 N 6.98 2.15 -0.23 1.97 1.85 -1.26 -4.38 116.66 123.73 3ias n ARG 162 Ca 0.27 0.78 0.01 0.00 -1.00 0.00 0.00 57.85 57.91 3ias n ARG 162 Cb 0.28 -2.59 0.09 0.00 -1.05 0.00 0.00 32.46 29.20 3ias n ARG 162 CO 0.00 0.00 0.00 1.25 -0.01 0.00 0.00 177.63 178.87 3ias h LEU 163 N 7.54 -0.54 0.00 2.89 6.46 -1.95 -2.23 115.31 127.49 3ias h LEU 163 Ca -0.47 0.20 0.00 0.00 -0.12 0.00 0.00 57.88 57.49 3ias h LEU 163 Cb 1.26 0.39 0.00 0.00 -0.73 0.00 0.00 40.66 41.59 3ias h LEU 163 CO 0.92 -0.21 0.10 -1.84 -0.62 0.00 0.00 178.44 176.79 3ias n GLU 164 N -5.42 0.00 -3.13 1.25 0.28 -1.26 -1.74 120.64 110.62 3ias n GLU 164 Ca 0.10 0.19 -0.17 0.00 -0.16 0.00 0.00 57.16 57.12 3ias n GLU 164 Cb 0.38 -1.60 -0.02 0.00 1.43 0.00 0.00 31.44 31.63 3ias n GLU 164 CO 0.00 0.00 0.00 -0.85 -0.16 0.00 0.00 177.13 176.12 3ias n GLU 165 N -1.12 0.97 -4.86 3.44 0.28 -0.84 -5.08 120.64 113.44 3ias n GLU 165 Ca 0.00 -3.20 -0.33 0.00 -0.16 0.00 0.00 57.16 53.47 3ias n GLU 165 Cb 0.10 -1.62 -0.15 0.00 1.43 0.00 0.00 31.44 31.20 3ias n GLU 165 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 3ias s ILE 166 N -2.08 2.80 -0.09 3.84 1.01 -0.71 -4.86 121.20 121.11 3ias s ILE 166 Ca 0.38 -0.75 -0.30 0.00 0.00 0.00 0.00 60.65 59.98 3ias s ILE 166 Cb 0.34 -2.16 -0.04 0.00 0.01 0.00 0.00 42.46 40.61 3ias s ILE 166 CO -0.08 0.53 1.50 -1.83 0.00 0.00 0.00 174.94 175.06 3ias s GLU 167 N 0.39 4.21 -0.35 2.79 -1.05 -1.26 -4.98 118.70 118.44 3ias s GLU 167 Ca -0.12 1.99 -0.07 0.00 -0.15 0.00 0.00 54.97 56.61 3ias s GLU 167 Cb -0.16 -3.88 0.04 0.00 -0.44 0.00 0.00 34.13 29.68 3ias s GLU 167 CO 0.06 -0.78 0.13 -0.51 0.95 0.00 0.00 175.26 175.11 3ias s LEU 168 N 3.74 4.45 0.18 1.83 1.43 -1.26 -4.86 118.68 124.19 3ias s LEU 168 Ca 0.66 -1.14 -0.33 0.00 -1.03 0.00 0.00 54.13 52.29 3ias s LEU 168 Cb -0.29 -1.91 -0.15 0.00 0.03 0.00 0.00 46.19 43.88 3ias s LEU 168 CO 0.24 -0.35 1.39 -0.81 0.23 0.00 0.00 176.35 177.05 3ias n PRO 169 N 4.85 1.73 0.00 1.29 -0.04 -1.26 -4.72 135.00 136.86 3ias n PRO 169 Ca -0.12 0.62 0.00 0.00 -0.04 0.00 0.00 63.50 63.96 3ias n PRO 169 Cb 0.45 -2.28 0.00 0.00 -0.04 0.00 0.00 33.50 31.63 3ias n PRO 169 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3ias n GLY 170 N 2.54 0.47 3.48 0.55 0.00 -1.26 -4.71 105.19 106.27 3ias n GLY 170 Ca 0.15 -1.82 -0.33 0.00 0.00 0.00 0.00 46.02 44.02 3ias n GLY 170 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ias s LYS 171 N -2.32 2.78 -0.04 1.61 -2.85 -1.26 -5.12 119.74 112.54 3ias s LYS 171 Ca 0.00 -0.65 -0.01 0.00 -1.00 0.00 0.00 55.97 54.31 3ias s LYS 171 Cb 0.00 -2.50 0.03 0.00 -2.06 0.00 0.00 37.83 33.30 3ias s LYS 171 CO 0.00 0.54 0.03 0.00 0.10 0.00 0.00 175.35 176.02 3ias n GLY 173 N 4.88 -3.69 0.00 0.00 0.00 -1.26 -5.09 105.19 100.04 3ias n GLY 173 Ca -0.12 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.59 3ias n GLY 173 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3ias n HIS 174 N -4.99 0.00 -0.35 1.61 -0.00 -1.26 -4.85 115.22 105.37 3ias n HIS 174 Ca 0.11 0.00 0.11 0.00 0.46 0.00 0.00 57.72 58.39 3ias n HIS 174 Cb 0.45 0.00 0.33 0.00 -0.12 0.00 0.00 29.99 30.65 3ias n HIS 174 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41 3ias n HIS 175 N 0.00 1.13 -3.64 1.57 1.44 -1.26 -4.83 115.22 109.63 3ias n HIS 175 Ca 0.00 -0.51 -0.15 0.00 -2.01 0.00 0.00 57.72 55.05 3ias n HIS 175 Cb 0.00 -0.08 -0.08 0.00 0.12 0.00 0.00 29.99 29.95 3ias n HIS 175 CO 0.00 0.00 0.00 0.14 -2.81 0.00 0.00 176.34 173.67 3ias s VAL 176 N -1.33 0.02 -0.10 0.61 -7.23 -1.26 -5.12 120.40 105.99 3ias s VAL 176 Ca 0.48 -0.14 -0.05 0.00 -1.81 0.00 0.00 61.98 60.46 3ias s VAL 176 Cb 0.27 -0.82 0.04 0.00 0.56 0.00 0.00 36.38 36.44 3ias s VAL 176 CO 0.29 -0.08 0.22 -2.28 -0.31 0.00 0.00 175.10 172.95 3ias s HIS 177 N -0.78 -0.29 -0.19 2.82 2.46 -1.26 -4.40 115.29 113.65 3ias s HIS 177 Ca -0.08 0.71 -0.14 0.00 0.47 0.00 0.00 55.06 56.01 3ias s HIS 177 Cb -0.03 0.02 -0.04 0.00 -0.13 0.00 0.00 32.58 32.40 3ias s HIS 177 CO 0.06 -0.21 0.33 -2.00 -2.47 0.00 0.00 174.74 170.44 3ias s GLU 178 N 1.19 4.21 -0.01 2.88 2.56 -1.26 -5.02 118.70 123.24 3ias s GLU 178 Ca -0.09 0.11 0.00 0.00 0.00 0.00 0.00 54.97 55.00 3ias s GLU 178 Cb -0.10 -3.49 -0.04 0.00 2.00 0.00 0.00 34.13 32.51 3ias s GLU 178 CO -0.08 0.10 0.03 0.08 -0.56 0.00 0.00 175.26 174.83 3ias s VAL 179 N 0.90 4.37 0.00 3.70 1.01 -1.26 -4.94 120.40 124.19 3ias s VAL 179 Ca 0.17 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 61.65 3ias s VAL 179 Cb -0.14 -2.96 0.00 0.00 0.00 0.00 0.00 36.38 33.29 3ias s VAL 179 CO 0.06 0.39 0.26 -0.62 0.00 0.00 0.00 175.10 175.20