#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 0.01 0.02 -5.13 3.72 -1.26 -3.37 117.46 111.46 3ias n PHE 4 Ca 0.00 -0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.45 3ias n PHE 4 Cb 0.00 0.00 0.45 0.00 -0.94 0.00 0.00 39.48 38.99 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 0.93 0.41 0.00 4.37 5.19 -2.04 -3.26 116.42 122.02 3ias h ASP 5 Ca 0.00 -0.01 -0.00 0.00 -0.62 0.00 0.00 57.03 56.40 3ias h ASP 5 Cb 0.20 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 39.61 3ias h ASP 5 CO 0.00 0.29 -0.00 -0.78 -3.12 0.00 0.00 179.24 175.63 3ias h ASP 6 N 0.48 -0.00 -1.98 6.45 1.82 -2.09 -3.38 116.42 117.72 3ias h ASP 6 Ca 0.14 0.00 -0.75 0.00 -0.39 0.00 0.00 57.03 56.04 3ias h ASP 6 Cb -0.02 0.00 -0.17 0.00 0.68 0.00 0.00 39.33 39.82 3ias h ASP 6 CO -0.03 -0.00 1.52 2.29 -1.61 0.00 0.00 179.24 181.41 3ias n LYS 7 N -2.01 3.47 0.21 0.28 0.00 -1.23 -4.75 118.16 114.12 3ias n LYS 7 Ca -0.00 -3.78 0.08 0.00 -0.00 0.00 0.00 58.31 54.60 3ias n LYS 7 Cb 0.00 -2.99 0.44 0.00 -0.00 0.00 0.00 35.03 32.48 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 6.69 0.00 0.00 -1.58 1.08 -1.75 -2.83 115.11 116.71 3ias h GLN 8 Ca 0.34 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.54 3ias h GLN 8 Cb 0.80 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.23 3ias h GLN 8 CO 1.35 0.29 0.00 -0.44 -0.95 0.00 0.00 178.83 179.08 3ias h ASP 9 N 0.00 0.00 0.00 1.46 3.32 -1.93 -2.06 116.42 117.21 3ias h ASP 9 Ca -0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.02 3ias h ASP 9 Cb 0.74 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.29 3ias h ASP 9 CO 0.04 0.00 -0.15 0.15 -1.72 0.00 0.00 179.24 177.56 3ias h PHE 10 N 0.00 0.00 -0.16 4.55 3.04 -1.91 -3.10 116.94 119.37 3ias h PHE 10 Ca 0.00 0.00 0.03 0.00 3.98 0.00 0.00 57.97 61.98 3ias h PHE 10 Cb 0.52 0.00 -0.07 0.00 2.56 0.00 0.00 35.95 38.96 3ias h PHE 10 CO 0.00 0.78 -0.55 -0.07 -2.02 0.00 0.00 178.31 176.46 3ias h LEU 11 N -1.00 -1.75 -0.75 0.59 3.38 -1.59 -1.83 115.31 112.36 3ias h LEU 11 Ca -0.04 0.21 0.07 0.00 0.09 0.00 0.00 57.88 58.22 3ias h LEU 11 Cb 0.78 0.68 -0.09 0.00 0.09 0.00 0.00 40.66 42.12 3ias h LEU 11 CO -0.02 -0.48 -0.42 -0.62 0.09 0.00 0.00 178.44 176.99 3ias n GLU 12 N -5.43 -0.31 -0.14 1.13 1.02 -0.78 -1.13 120.64 114.99 3ias n GLU 12 Ca -0.06 1.13 -0.09 0.00 -0.02 0.00 0.00 57.16 58.12 3ias n GLU 12 Cb 0.38 -1.67 -0.01 0.00 -0.02 0.00 0.00 31.44 30.12 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 0.65 -0.10 3.49 4.81 -1.33 -2.90 114.58 119.21 3ias h GLU 13 Ca 0.14 -0.15 -0.22 0.00 -0.13 0.00 0.00 59.36 59.00 3ias h GLU 13 Cb 0.33 -0.09 0.01 0.00 0.63 0.00 0.00 28.75 29.62 3ias h GLU 13 CO -0.71 0.66 -0.81 1.79 -0.73 0.00 0.00 179.01 179.20 3ias h THR 14 N 0.53 1.32 -0.13 0.32 1.35 -0.41 -2.70 112.91 113.18 3ias h THR 14 Ca 0.13 -2.10 0.04 0.00 -0.55 0.00 0.00 66.41 63.93 3ias h THR 14 Cb 0.29 2.11 -0.01 0.00 -1.73 0.00 0.00 68.15 68.81 3ias h THR 14 CO -0.00 0.65 0.12 -0.26 -0.25 0.00 0.00 175.52 175.78 3ias h PHE 15 N 0.42 0.00 -0.12 4.73 0.04 -1.12 -1.91 116.94 118.98 3ias h PHE 15 Ca -0.06 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.59 3ias h PHE 15 Cb 1.43 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.57 3ias h PHE 15 CO 0.07 0.00 -0.45 0.00 -0.60 0.00 0.00 178.31 177.34 3ias h ALA 16 N 1.88 1.02 -0.01 2.45 0.00 -1.26 -3.02 119.26 120.32 3ias h ALA 16 Ca 0.06 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3ias h ALA 16 Cb 0.30 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 3ias h ALA 16 CO -0.00 0.62 0.02 0.87 0.00 0.00 0.00 179.25 180.76 3ias h LYS 17 N 0.23 0.00 -6.31 0.00 1.57 -1.33 -3.43 116.57 107.31 3ias h LYS 17 Ca 0.02 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 58.20 3ias h LYS 17 Cb 0.88 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 33.01 3ias h LYS 17 CO 0.07 0.00 -0.80 0.71 -0.57 0.00 0.00 179.45 178.86 3ias s TYR 18 N -4.44 2.10 1.03 -1.35 2.02 -1.14 -5.14 117.35 110.43 3ias s TYR 18 Ca -0.05 -0.40 -0.18 0.00 -0.37 0.00 0.00 57.07 56.07 3ias s TYR 18 Cb 0.14 -1.03 -0.00 0.00 -0.40 0.00 0.00 41.96 40.66 3ias s TYR 18 CO 0.49 0.44 -0.26 -2.30 -1.57 0.00 0.00 175.55 172.35 3ias n PRO 19 N 0.23 -0.70 0.03 -1.71 -0.02 -1.26 -4.93 135.00 126.63 3ias n PRO 19 Ca -0.12 -0.19 -0.01 0.00 -2.02 0.00 0.00 63.50 61.16 3ias n PRO 19 Cb 0.57 -1.52 0.26 0.00 -0.02 0.00 0.00 33.50 32.78 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 -1.58 0.45 0.06 0.52 0.13 -1.97 -3.24 132.00 126.37 3ias h PRO 20 Ca -0.47 -0.14 -0.28 0.00 -0.87 0.00 0.00 66.00 64.25 3ias h PRO 20 Cb 1.33 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 32.40 3ias h PRO 20 CO 0.32 0.60 -1.43 1.05 -0.23 0.00 0.00 178.00 178.31 3ias h GLU 21 N 0.41 0.13 -2.31 0.86 9.09 -2.00 -3.37 114.58 117.38 3ias h GLU 21 Ca 0.07 -0.22 -0.61 0.00 0.05 0.00 0.00 59.36 58.65 3ias h GLU 21 Cb 0.53 0.08 -0.14 0.00 -1.65 0.00 0.00 28.75 27.56 3ias h GLU 21 CO 0.03 0.95 1.39 0.41 0.05 0.00 0.00 179.01 181.85 3ias n GLY 22 N 1.56 4.72 0.27 1.06 0.00 -1.22 -4.60 105.19 106.98 3ias n GLY 22 Ca -0.12 -1.94 0.02 0.00 0.00 0.00 0.00 46.02 43.98 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 3.80 0.40 -1.45 1.61 3.08 -1.74 -2.16 114.38 117.92 3ias h ARG 23 Ca 0.54 -0.07 0.42 0.00 0.07 0.00 0.00 59.98 60.95 3ias h ARG 23 Cb 0.54 -0.07 -0.07 0.00 0.08 0.00 0.00 29.97 30.45 3ias h ARG 23 CO 1.16 0.42 1.03 0.00 -1.07 0.00 0.00 179.97 181.50 3ias h ARG 24 N 0.39 0.03 -0.95 0.04 2.47 -1.81 0.03 114.38 114.58 3ias h ARG 24 Ca 0.09 -0.00 0.21 0.00 -1.26 0.00 0.00 59.98 59.02 3ias h ARG 24 Cb 0.24 -0.01 -0.08 0.00 -1.65 0.00 0.00 29.97 28.47 3ias h ARG 24 CO 0.00 0.02 0.62 0.00 0.56 0.00 0.00 179.97 181.17 3ias h ALA 25 N 1.30 2.11 0.00 0.04 0.00 -1.77 -1.41 119.26 119.54 3ias h ALA 25 Ca 0.71 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.64 3ias h ALA 25 Cb 2.74 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 20.50 3ias h ALA 25 CO -0.05 -0.44 -0.04 0.00 0.00 0.00 0.00 179.25 178.72 3ias h ALA 26 N 1.61 1.09 -0.67 0.00 0.00 -1.20 -3.23 119.26 116.85 3ias h ALA 26 Ca 0.51 -0.04 0.12 0.00 0.00 0.00 0.00 54.91 55.51 3ias h ALA 26 Cb 1.18 -0.01 -0.13 0.00 0.00 0.00 0.00 17.79 18.84 3ias h ALA 26 CO -0.23 0.05 -0.30 0.82 0.00 0.00 0.00 179.25 179.59 3ias h ILE 27 N 0.00 0.18 0.45 0.00 2.04 -1.43 -0.40 117.51 118.36 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 0.31 0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 36.55 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 -0.10 -0.91 -0.00 2.37 2.86 -1.78 -1.00 114.93 116.36 3ias h MET 28 Ca 0.28 0.06 -0.05 0.00 -2.06 0.00 0.00 59.70 57.93 3ias h MET 28 Cb 0.55 0.21 -0.01 0.00 0.06 0.00 0.00 31.60 32.41 3ias h MET 28 CO -0.73 -0.61 -0.23 -1.00 1.06 0.00 0.00 176.91 175.40 3ias h PRO 29 N -0.94 0.00 0.28 -0.22 0.13 -1.64 0.09 132.00 129.70 3ias h PRO 29 Ca -0.05 -0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.07 3ias h PRO 29 Cb 0.83 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 3ias h PRO 29 CO -0.08 0.24 -0.13 -0.07 -0.23 0.00 0.00 178.00 177.73 3ias h LEU 30 N 0.00 -0.31 -0.83 1.56 3.38 -0.92 -1.47 115.31 116.72 3ias h LEU 30 Ca -0.00 -0.16 0.19 0.00 0.09 0.00 0.00 57.88 58.00 3ias h LEU 30 Cb 0.42 0.08 -0.12 0.00 0.09 0.00 0.00 40.66 41.13 3ias h LEU 30 CO 0.03 0.00 0.28 -0.07 0.09 0.00 0.00 178.44 178.77 3ias h LEU 31 N -0.65 0.15 0.08 1.67 -0.00 -0.83 -1.46 115.31 114.27 3ias h LEU 31 Ca -0.04 0.16 0.02 0.00 -0.00 0.00 0.00 57.88 58.02 3ias h LEU 31 Cb 0.46 0.18 -0.04 0.00 -0.00 0.00 0.00 40.66 41.25 3ias h LEU 31 CO 0.06 -0.03 -0.33 -0.09 -0.00 0.00 0.00 178.44 178.05 3ias h ARG 32 N 0.33 -0.51 -0.04 1.13 9.65 -0.57 -2.43 114.38 121.92 3ias h ARG 32 Ca 0.50 0.03 0.03 0.00 -1.10 0.00 0.00 59.98 59.44 3ias h ARG 32 Cb 0.91 0.12 -0.04 0.00 -1.39 0.00 0.00 29.97 29.56 3ias h ARG 32 CO -0.54 -0.34 -0.17 0.00 2.80 0.00 0.00 179.97 181.72 3ias h ARG 33 N -0.53 -0.25 -0.85 0.20 3.08 -0.22 -0.82 114.38 114.99 3ias h ARG 33 Ca 0.04 0.02 0.25 0.00 0.07 0.00 0.00 59.98 60.35 3ias h ARG 33 Cb 0.58 0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.65 3ias h ARG 33 CO -0.22 -0.17 0.65 0.28 -1.07 0.00 0.00 179.97 179.44 3ias h VAL 34 N -0.26 0.50 0.14 2.04 2.07 -1.21 -1.80 116.25 117.73 3ias h VAL 34 Ca 0.07 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.58 3ias h VAL 34 Cb 0.35 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 3ias h VAL 34 CO -0.19 0.00 -0.07 1.56 0.02 0.00 0.00 177.57 178.89 3ias h GLN 35 N 0.00 -0.18 0.00 1.57 1.08 -0.67 -2.31 115.11 114.60 3ias h GLN 35 Ca 0.40 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.61 3ias h GLN 35 Cb 1.69 0.04 0.00 0.00 -0.05 0.00 0.00 27.48 29.16 3ias h GLN 35 CO -0.00 -0.12 0.20 -0.56 -0.95 0.00 0.00 178.83 177.40 3ias h GLN 36 N -0.37 0.00 0.02 1.46 3.07 -1.04 -0.15 115.11 118.09 3ias h GLN 36 Ca -0.02 0.00 -0.32 0.00 0.09 0.00 0.00 58.65 58.40 3ias h GLN 36 Cb 0.14 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 27.66 3ias h GLN 36 CO 0.03 0.00 -1.79 0.39 0.09 0.00 0.00 178.83 177.55 3ias n GLU 37 N -2.24 0.60 0.00 0.06 -0.58 -0.72 -4.66 120.64 113.11 3ias n GLU 37 Ca -0.01 0.42 0.07 0.00 -0.42 0.00 0.00 57.16 57.22 3ias n GLU 37 Cb 0.23 -1.66 0.04 0.00 -0.57 0.00 0.00 31.44 29.48 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 -4.18 1.38 0.00 3.49 1.02 -0.87 -4.98 120.64 116.50 3ias n GLU 38 Ca -0.39 -1.17 0.00 0.00 -0.02 0.00 0.00 57.16 55.58 3ias n GLU 38 Cb 0.81 -1.27 0.00 0.00 -0.02 0.00 0.00 31.44 30.96 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 2.92 3.73 0.62 0.00 -0.11 -4.90 105.19 108.40 3ias n GLY 39 Ca 0.08 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 -1.04 -0.17 -0.23 1.61 1.48 -1.26 -4.19 118.94 115.14 3ias s TRP 40 Ca 0.00 -0.14 -0.07 0.00 -1.06 0.00 0.00 56.10 54.83 3ias s TRP 40 Cb 0.00 0.64 -0.03 0.00 -1.16 0.00 0.00 33.47 32.91 3ias s TRP 40 CO 0.00 -0.85 0.07 0.42 -4.06 0.00 0.00 176.95 172.53 3ias s ILE 41 N -3.35 4.43 0.16 0.66 1.01 -0.72 -4.65 121.20 118.74 3ias s ILE 41 Ca 0.11 -0.14 -0.11 0.00 0.00 0.00 0.00 60.65 60.51 3ias s ILE 41 Cb -0.02 -3.05 -0.07 0.00 0.01 0.00 0.00 42.46 39.33 3ias s ILE 41 CO 0.01 0.37 0.51 -0.13 0.00 0.00 0.00 174.94 175.70 3ias s ARG 42 N 1.30 3.86 0.39 2.79 0.52 -1.26 -4.66 118.95 121.88 3ias s ARG 42 Ca 0.05 0.32 0.20 0.00 -0.52 0.00 0.00 55.73 55.78 3ias s ARG 42 Cb -0.15 -2.85 1.17 0.00 0.52 0.00 0.00 34.95 33.64 3ias s ARG 42 CO 0.04 0.44 1.70 -1.00 0.02 0.00 0.00 175.30 176.50 3ias h PRO 43 N 3.23 0.30 -0.51 3.54 0.13 -1.98 0.14 132.00 136.86 3ias h PRO 43 Ca -0.48 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 64.63 3ias h PRO 43 Cb 1.18 -0.07 -0.02 0.00 0.13 0.00 0.00 31.00 32.22 3ias h PRO 43 CO 0.67 0.20 0.30 0.93 -0.23 0.00 0.00 178.00 179.87 3ias h GLU 44 N 0.31 0.70 -0.98 0.86 3.07 -1.99 -1.12 114.58 115.43 3ias h GLU 44 Ca 0.69 -0.07 0.07 0.00 -0.50 0.00 0.00 59.36 59.56 3ias h GLU 44 Cb 1.81 -0.14 -0.07 0.00 -0.84 0.00 0.00 28.75 29.50 3ias h GLU 44 CO -0.42 0.52 0.62 0.00 -1.40 0.00 0.00 179.01 178.33 3ias h ARG 45 N 0.68 1.07 -0.21 2.33 2.47 -1.11 0.42 114.38 120.03 3ias h ARG 45 Ca 0.18 -0.06 -0.05 0.00 -1.26 0.00 0.00 59.98 58.78 3ias h ARG 45 Cb 0.01 -0.24 -0.01 0.00 -1.65 0.00 0.00 29.97 28.08 3ias h ARG 45 CO -0.03 0.71 -0.08 0.82 0.56 0.00 0.00 179.97 181.95 3ias h ILE 46 N 1.11 1.30 -0.80 2.04 2.04 -1.14 0.27 117.51 122.31 3ias h ILE 46 Ca 0.43 -1.11 0.13 0.00 1.00 0.00 0.00 64.86 65.32 3ias h ILE 46 Cb 0.23 1.59 -0.09 0.00 -0.74 0.00 0.00 36.82 37.80 3ias h ILE 46 CO -0.19 0.34 0.40 -0.33 0.00 0.00 0.00 178.15 178.37 3ias h GLU 47 N 0.14 0.59 0.41 2.37 5.08 -0.17 0.53 114.58 123.52 3ias h GLU 47 Ca 0.05 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 3ias h GLU 47 Cb 0.55 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.67 3ias h GLU 47 CO 0.03 0.39 -0.20 1.49 -1.00 0.00 0.00 179.01 179.72 3ias h GLU 48 N 0.61 -0.53 -1.12 2.33 4.81 -0.62 -2.92 114.58 117.14 3ias h GLU 48 Ca 0.43 0.04 0.38 0.00 -0.13 0.00 0.00 59.36 60.08 3ias h GLU 48 Cb 0.56 0.12 -0.15 0.00 0.63 0.00 0.00 28.75 29.91 3ias h GLU 48 CO -0.34 -0.35 0.67 0.82 -0.73 0.00 0.00 179.01 179.08 3ias h ILE 49 N -0.65 0.17 0.27 2.32 2.04 -0.28 0.75 117.51 122.12 3ias h ILE 49 Ca -0.06 -0.05 -0.01 0.00 1.00 0.00 0.00 64.86 65.74 3ias h ILE 49 Cb 0.42 -0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.49 3ias h ILE 49 CO 0.09 0.03 -0.25 0.00 0.00 0.00 0.00 178.15 178.02 3ias h ALA 50 N 1.79 -0.97 -0.82 1.87 0.00 -0.81 0.80 119.26 121.12 3ias h ALA 50 Ca 0.79 -0.10 0.12 0.00 0.00 0.00 0.00 54.91 55.72 3ias h ALA 50 Cb 2.14 0.47 -0.08 0.00 0.00 0.00 0.00 17.79 20.31 3ias h ALA 50 CO -0.57 -0.98 0.43 0.00 0.00 0.00 0.00 179.25 178.14 3ias h ARG 51 N -0.51 0.66 -0.90 0.00 3.08 -1.00 -1.50 114.38 114.20 3ias h ARG 51 Ca -0.03 -0.04 0.05 0.00 0.07 0.00 0.00 59.98 60.02 3ias h ARG 51 Cb 0.44 -0.15 -0.06 0.00 0.08 0.00 0.00 29.97 30.28 3ias h ARG 51 CO -0.02 0.44 0.58 -0.07 -1.07 0.00 0.00 179.97 179.83 3ias h LEU 52 N 0.68 0.95 -0.58 3.04 3.38 -0.66 -2.86 115.31 119.26 3ias h LEU 52 Ca 0.42 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.39 3ias h LEU 52 Cb 0.50 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3ias h LEU 52 CO -0.31 0.63 -0.47 0.55 0.09 0.00 0.00 178.44 178.93 3ias n VAL 53 N -4.54 0.00 -1.76 1.22 3.14 0.25 -4.98 118.33 111.66 3ias n VAL 53 Ca 0.12 -0.15 0.00 0.00 -2.96 0.00 0.00 64.34 61.35 3ias n VAL 53 Cb 0.12 0.82 0.00 0.00 -1.06 0.00 0.00 33.84 33.72 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 1.41 0.49 0.00 7.55 0.00 -0.62 -3.94 105.19 110.08 3ias n GLY 54 Ca 0.09 -0.42 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 -0.95 0.00 -3.45 2.61 5.66 -1.01 -4.95 114.28 112.19 3ias n THR 55 Ca 0.00 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 60.69 3ias n THR 55 Cb 0.45 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.18 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 -2.84 5.00 0.37 1.09 -4.23 -1.26 -4.18 115.64 109.59 3ias s THR 56 Ca 0.00 0.28 0.07 0.00 -1.18 0.00 0.00 61.69 60.87 3ias s THR 56 Cb 0.00 -3.65 0.30 0.00 1.34 0.00 0.00 72.50 70.50 3ias s THR 56 CO 0.00 -0.11 1.95 -0.65 -0.54 0.00 0.00 174.62 175.27 3ias h PRO 57 N 2.39 0.68 0.59 3.99 0.11 -1.89 -2.32 132.00 135.55 3ias h PRO 57 Ca -0.47 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.57 3ias h PRO 57 Cb 1.17 -0.15 0.01 0.00 0.11 0.00 0.00 31.00 32.13 3ias h PRO 57 CO 0.69 0.45 -0.28 1.15 -0.21 0.00 0.00 178.00 179.80 3ias h THR 58 N 0.70 0.43 -0.82 -1.15 2.02 -1.95 -1.17 112.91 110.96 3ias h THR 58 Ca 0.33 -0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.65 3ias h THR 58 Cb 0.36 0.43 -0.10 0.00 -1.74 0.00 0.00 68.15 67.10 3ias h THR 58 CO -0.11 0.00 0.39 -0.33 0.37 0.00 0.00 175.52 175.84 3ias h GLU 59 N -0.79 0.53 -0.19 6.66 4.39 -1.83 -0.45 114.58 122.90 3ias h GLU 59 Ca -0.08 -0.03 -0.11 0.00 0.34 0.00 0.00 59.36 59.47 3ias h GLU 59 Cb 0.60 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.12 3ias h GLU 59 CO 0.13 0.35 -0.37 0.28 -1.16 0.00 0.00 179.01 178.25 3ias h VAL 60 N 0.55 1.30 0.26 3.13 2.07 -1.33 -1.83 116.25 120.38 3ias h VAL 60 Ca 0.46 -1.48 -0.01 0.00 0.82 0.00 0.00 66.70 66.49 3ias h VAL 60 Cb 0.68 1.55 0.00 0.00 -1.52 0.00 0.00 31.29 32.00 3ias h VAL 60 CO -0.39 0.46 -0.12 -0.03 0.02 0.00 0.00 177.57 177.50 3ias h MET 61 N 0.36 -0.33 -0.44 1.57 1.85 0.17 -0.78 114.93 117.32 3ias h MET 61 Ca 0.04 0.02 0.08 0.00 -0.61 0.00 0.00 59.70 59.23 3ias h MET 61 Cb 0.81 0.08 -0.07 0.00 0.43 0.00 0.00 31.60 32.85 3ias h MET 61 CO 0.07 -0.16 0.03 0.78 -0.40 0.00 0.00 176.91 177.22 3ias h GLY 62 N -0.43 0.47 1.00 1.39 0.00 -1.12 -0.95 103.07 103.44 3ias h GLY 62 Ca -0.04 0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.32 3ias h GLY 62 CO 0.06 -0.09 0.36 -2.08 0.00 0.00 0.00 176.54 174.79 3ias h VAL 63 N 0.15 1.16 -0.38 4.60 2.07 -1.25 -3.07 116.25 119.53 3ias h VAL 63 Ca 0.22 -0.32 -0.12 0.00 0.82 0.00 0.00 66.70 67.30 3ias h VAL 63 Cb 0.30 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 3ias h VAL 63 CO -0.33 0.16 -0.24 0.00 0.02 0.00 0.00 177.57 177.18 3ias h ALA 64 N 1.19 0.54 0.00 1.67 0.00 -0.44 -3.08 119.26 119.14 3ias h ALA 64 Ca 0.21 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3ias h ALA 64 Cb -0.06 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3ias h ALA 64 CO -0.04 0.53 0.00 -1.13 0.00 0.00 0.00 179.25 178.61 3ias n SER 65 N -4.21 0.00 -0.04 0.00 3.41 -0.42 -3.02 113.62 109.34 3ias n SER 65 Ca -0.02 -0.05 -0.16 0.00 -0.26 0.00 0.00 58.87 58.39 3ias n SER 65 Cb 0.45 -0.25 -0.08 0.00 -0.26 0.00 0.00 64.21 64.08 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 0.80 -3.30 7.33 3.04 -1.44 -3.47 116.94 119.89 3ias h PHE 66 Ca 0.00 -0.33 -0.49 0.00 3.98 0.00 0.00 57.97 61.13 3ias h PHE 66 Cb 0.15 -0.13 0.02 0.00 2.56 0.00 0.00 35.95 38.55 3ias h PHE 66 CO 0.00 1.12 -0.02 0.71 -2.02 0.00 0.00 178.31 178.10 3ias s TYR 67 N -3.79 3.52 0.00 0.41 1.51 -1.17 -5.03 117.35 112.81 3ias s TYR 67 Ca -0.12 0.67 0.11 0.00 -1.01 0.00 0.00 57.07 56.72 3ias s TYR 67 Cb 0.07 -2.17 -0.17 0.00 -0.11 0.00 0.00 41.96 39.59 3ias s TYR 67 CO 0.84 -0.07 1.07 0.77 -1.11 0.00 0.00 175.55 177.05 3ias h SER 68 N 0.71 0.00 0.02 2.29 0.02 -1.90 -3.38 113.55 111.30 3ias h SER 68 Ca -0.48 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.47 3ias h SER 68 Cb 1.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.74 3ias h SER 68 CO 0.62 0.87 -0.01 0.22 -1.14 0.00 0.00 176.83 177.40 3ias h TYR 69 N 0.00 -0.02 -2.70 3.45 3.20 -1.96 -3.44 116.97 115.51 3ias h TYR 69 Ca -0.11 -0.00 -0.58 0.00 3.14 0.00 0.00 58.73 61.19 3ias h TYR 69 Cb 1.76 0.01 0.08 0.00 1.54 0.00 0.00 36.73 40.11 3ias h TYR 69 CO 0.00 0.62 0.67 0.66 -1.64 0.00 0.00 178.16 178.47 3ias n TYR 70 N -4.79 2.26 -4.10 -3.82 4.01 -1.26 -4.99 117.16 104.47 3ias n TYR 70 Ca -0.09 0.39 -0.28 0.00 -0.16 0.00 0.00 57.90 57.76 3ias n TYR 70 Cb 0.32 -2.49 -0.06 0.00 -0.31 0.00 0.00 39.34 36.80 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 -0.26 2.75 0.00 -0.72 -1.52 -1.26 -5.00 119.66 113.65 3ias s GLN 71 Ca 0.69 -0.87 0.00 0.00 -1.95 0.00 0.00 55.36 53.23 3ias s GLN 71 Cb -0.63 -2.60 0.00 0.00 -0.22 0.00 0.00 33.01 29.56 3ias s GLN 71 CO 0.48 0.51 0.54 1.19 -0.25 0.00 0.00 175.29 177.76 3ias n PHE 72 N 0.02 0.00 -4.45 0.91 3.01 -1.26 -1.75 117.46 113.94 3ias n PHE 72 Ca -0.09 -0.10 -0.21 0.00 1.01 0.00 0.00 57.45 58.06 3ias n PHE 72 Cb 0.54 -0.01 -0.14 0.00 -0.01 0.00 0.00 39.48 39.86 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 -0.20 1.11 0.01 -4.37 -7.23 -1.26 -4.80 120.40 103.66 3ias s VAL 73 Ca 0.00 -0.86 -0.31 0.00 -1.81 0.00 0.00 61.98 59.00 3ias s VAL 73 Cb 0.00 -0.98 -0.16 0.00 0.56 0.00 0.00 36.38 35.81 3ias s VAL 73 CO 0.00 0.11 0.82 -2.65 -0.31 0.00 0.00 175.10 173.07 3ias n PRO 74 N 2.19 0.00 -4.81 4.82 -0.02 -1.26 -4.88 135.00 131.04 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 -1.16 -0.13 0.00 -0.02 0.00 0.00 33.50 32.74 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 -0.06 3.00 1.13 3.45 -1.32 -1.26 -4.85 115.64 115.73 3ias s THR 75 Ca 0.71 -0.87 -0.18 0.00 -1.21 0.00 0.00 61.69 60.13 3ias s THR 75 Cb -0.99 -2.20 0.14 0.00 -1.51 0.00 0.00 72.50 67.94 3ias s THR 75 CO 0.45 0.50 0.14 0.61 -2.21 0.00 0.00 174.62 174.11 3ias n GLY 76 N 2.04 -2.54 0.30 6.08 0.00 -1.26 -4.90 105.19 104.91 3ias n GLY 76 Ca -0.17 -0.86 -0.06 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.26 1.02 -4.48 1.61 3.64 -1.70 -3.36 116.57 111.03 3ias h LYS 77 Ca -0.51 -0.15 -0.70 0.00 -1.27 0.00 0.00 60.65 58.02 3ias h LYS 77 Cb 1.30 -0.18 -0.33 0.00 -0.41 0.00 0.00 32.23 32.60 3ias h LYS 77 CO 0.36 0.81 -0.53 0.71 -2.27 0.00 0.00 179.45 178.52 3ias s TYR 78 N -5.69 3.53 -0.86 1.91 2.02 0.17 -4.94 117.35 113.49 3ias s TYR 78 Ca -0.13 -2.24 -0.18 0.00 -0.37 0.00 0.00 57.07 54.15 3ias s TYR 78 Cb 0.14 -3.15 0.15 0.00 -0.40 0.00 0.00 41.96 38.70 3ias s TYR 78 CO 0.81 -0.95 0.99 -1.58 -1.57 0.00 0.00 175.55 173.24 3ias s HIS 79 N 1.20 3.26 -0.23 2.71 5.65 -1.26 -3.04 115.29 123.58 3ias s HIS 79 Ca 0.07 -1.48 -0.29 0.00 0.25 0.00 0.00 55.06 53.60 3ias s HIS 79 Cb -0.23 -4.14 -0.03 0.00 -1.18 0.00 0.00 32.58 27.01 3ias s HIS 79 CO -0.03 -1.35 1.67 -0.51 -0.65 0.00 0.00 174.74 173.87 3ias s LEU 80 N 2.07 3.83 -0.30 8.88 1.43 -0.66 -4.32 118.68 129.60 3ias s LEU 80 Ca 0.27 1.59 -0.10 0.00 -1.03 0.00 0.00 54.13 54.85 3ias s LEU 80 Cb -0.08 -3.53 -0.02 0.00 0.03 0.00 0.00 46.19 42.58 3ias s LEU 80 CO -0.07 -1.35 0.17 -1.10 0.23 0.00 0.00 176.35 174.23 3ias s GLN 81 N 4.89 3.58 -0.15 1.70 -0.21 -0.50 -2.17 119.66 126.79 3ias s GLN 81 Ca 0.74 -0.57 -0.08 0.00 0.02 0.00 0.00 55.36 55.48 3ias s GLN 81 Cb -0.25 -3.61 -0.04 0.00 1.00 0.00 0.00 33.01 30.10 3ias s GLN 81 CO 0.31 -0.33 0.12 0.08 -2.12 0.00 0.00 175.29 173.35 3ias s VAL 82 N 1.68 5.37 0.27 1.09 1.01 0.13 -1.87 120.40 128.08 3ias s VAL 82 Ca 0.06 0.17 -0.29 0.00 0.00 0.00 0.00 61.98 61.91 3ias s VAL 82 Cb -0.17 -3.38 -0.09 0.00 0.00 0.00 0.00 36.38 32.74 3ias s VAL 82 CO 0.08 0.54 1.04 0.00 0.00 0.00 0.00 175.10 176.77 3ias n ALA 84 N 1.25 1.04 -0.93 0.00 0.00 -0.91 -4.84 120.51 116.12 3ias n ALA 84 Ca -0.01 -0.05 -0.30 0.00 0.00 0.00 0.00 53.44 53.07 3ias n ALA 84 Cb 0.46 0.00 0.16 0.00 0.00 0.00 0.00 19.45 20.06 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 -0.39 2.49 0.10 0.00 2.01 -1.26 -4.41 115.64 114.18 3ias s THR 85 Ca 0.00 0.16 -0.20 0.00 0.31 0.00 0.00 61.69 61.96 3ias s THR 85 Cb 0.00 -2.41 -0.04 0.00 0.01 0.00 0.00 72.50 70.06 3ias s THR 85 CO 0.00 -0.21 1.27 -0.11 -0.69 0.00 0.00 174.62 174.89 3ias n LEU 86 N -4.10 -0.68 -0.33 4.42 7.94 -1.26 -1.11 117.00 121.89 3ias n LEU 86 Ca 0.09 1.43 0.17 0.00 -1.11 0.00 0.00 56.01 56.58 3ias n LEU 86 Cb 0.53 -0.29 0.37 0.00 0.53 0.00 0.00 43.42 44.56 3ias n LEU 86 CO 0.53 -1.07 1.10 -1.28 -1.11 0.00 0.00 177.39 175.55 3ias h SER 87 N 0.00 0.47 1.13 1.96 0.87 -1.97 0.66 113.55 116.67 3ias h SER 87 Ca 0.10 0.16 -0.14 0.00 -1.23 0.00 0.00 61.79 60.68 3ias h SER 87 Cb 0.26 0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.31 3ias h SER 87 CO -0.60 0.00 -0.66 0.00 -0.53 0.00 0.00 176.83 175.04 3ias h LYS 89 N 0.00 0.33 0.00 0.00 3.64 0.12 0.26 116.57 120.92 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 1.40 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.15 3ias h LYS 89 CO 0.09 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 -0.12 5.20 4.32 -0.76 -0.80 117.00 119.88 3ias n LEU 90 Ca 0.01 0.00 0.03 0.00 -0.02 0.00 0.00 56.01 56.03 3ias n LEU 90 Cb 0.11 0.00 -0.00 0.00 -1.62 0.00 0.00 43.42 41.90 3ias n LEU 90 CO 0.29 0.00 0.16 0.00 -1.22 0.00 0.00 177.39 176.63 3ias n ALA 91 N -0.72 2.58 0.00 -1.18 0.00 -0.36 -4.98 120.51 115.86 3ias n ALA 91 Ca 0.06 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.16 3ias n ALA 91 Cb 0.03 -0.19 0.00 0.00 0.00 0.00 0.00 19.45 19.29 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 0.73 1.33 0.48 0.00 0.00 0.02 -4.49 105.19 103.26 3ias n GLY 92 Ca 0.02 0.00 0.30 0.00 0.00 0.00 0.00 46.02 46.34 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 2.78 -0.00 4.61 0.00 -1.01 -0.69 119.26 124.95 3ias h ALA 93 Ca 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3ias h ALA 93 Cb 0.00 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3ias h ALA 93 CO 0.00 -1.13 -0.02 0.93 0.00 0.00 0.00 179.25 179.03 3ias h GLU 94 N 0.13 0.02 -0.97 0.00 5.08 -1.84 -2.44 114.58 114.57 3ias h GLU 94 Ca 0.56 -0.02 0.17 0.00 -1.00 0.00 0.00 59.36 59.07 3ias h GLU 94 Cb 1.93 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 31.08 3ias h GLU 94 CO -0.11 0.66 0.57 0.93 -1.00 0.00 0.00 179.01 180.06 3ias h GLU 95 N -0.62 0.73 0.10 2.33 5.08 -1.52 0.12 114.58 120.79 3ias h GLU 95 Ca -0.00 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3ias h GLU 95 Cb 0.67 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.75 3ias h GLU 95 CO 0.00 0.48 -0.05 1.25 -1.00 0.00 0.00 179.01 179.70 3ias h LEU 96 N 0.75 -0.11 -0.92 1.33 5.85 -1.48 -0.37 115.31 120.36 3ias h LEU 96 Ca 0.54 -0.07 0.01 0.00 0.84 0.00 0.00 57.88 59.20 3ias h LEU 96 Cb 0.80 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.81 3ias h LEU 96 CO -0.37 -0.00 0.59 -0.25 -0.34 0.00 0.00 178.44 178.07 3ias h TRP 97 N -0.21 1.17 0.14 1.25 2.91 -0.67 0.35 115.95 120.89 3ias h TRP 97 Ca -0.01 0.02 -0.01 0.00 1.13 0.00 0.00 58.89 60.02 3ias h TRP 97 Cb 0.17 -0.39 0.00 0.00 -0.51 0.00 0.00 29.16 28.43 3ias h TRP 97 CO -0.05 0.75 -0.07 -0.44 -1.03 0.00 0.00 178.44 177.61 3ias h ASP 98 N 1.25 -0.16 0.25 2.65 3.32 -0.67 -1.50 116.42 121.56 3ias h ASP 98 Ca 0.33 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.38 3ias h ASP 98 Cb -0.12 0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.47 3ias h ASP 98 CO -0.07 -0.11 -0.12 0.22 -1.72 0.00 0.00 179.24 177.44 3ias h TYR 99 N -0.18 -0.32 -0.88 4.55 3.20 -0.58 0.21 116.97 122.98 3ias h TYR 99 Ca -0.02 -0.01 0.10 0.00 3.14 0.00 0.00 58.73 61.94 3ias h TYR 99 Cb 0.14 0.10 -0.06 0.00 1.54 0.00 0.00 36.73 38.45 3ias h TYR 99 CO -0.07 -0.15 0.57 1.25 -1.64 0.00 0.00 178.16 178.12 3ias h LEU 100 N -0.41 0.77 0.08 2.82 5.85 -0.29 0.14 115.31 124.28 3ias h LEU 100 Ca -0.03 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 3ias h LEU 100 Cb 0.31 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.20 3ias h LEU 100 CO 0.06 0.45 -0.04 0.74 -0.34 0.00 0.00 178.44 179.31 3ias h THR 101 N 0.85 0.40 -0.94 1.05 2.02 -1.14 -2.55 112.91 112.60 3ias h THR 101 Ca 0.41 -1.17 0.24 0.00 0.77 0.00 0.00 66.41 66.65 3ias h THR 101 Cb 0.43 0.74 -0.17 0.00 -1.74 0.00 0.00 68.15 67.40 3ias h THR 101 CO -0.17 0.13 -0.03 -0.08 0.37 0.00 0.00 175.52 175.74 3ias h GLU 102 N -1.01 0.03 0.02 6.66 4.81 -0.38 1.05 114.58 125.76 3ias h GLU 102 Ca -0.01 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3ias h GLU 102 Cb 0.30 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.67 3ias h GLU 102 CO 0.02 0.02 -0.01 1.15 -0.73 0.00 0.00 179.01 179.46 3ias h THR 103 N 0.03 0.00 0.00 0.32 2.02 -0.82 -3.22 112.91 111.25 3ias h THR 103 Ca 0.54 -0.01 -0.00 0.00 0.77 0.00 0.00 66.41 67.71 3ias h THR 103 Cb 1.02 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 67.43 3ias h THR 103 CO -0.89 0.00 -0.00 -0.07 0.37 0.00 0.00 175.52 174.93 3ias h LEU 104 N -0.04 0.00 1.11 2.58 3.38 -1.07 -3.46 115.31 117.82 3ias h LEU 104 Ca -0.00 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.71 3ias h LEU 104 Cb 0.02 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.71 3ias h LEU 104 CO 0.01 0.00 -0.27 0.61 0.09 0.00 0.00 178.44 178.88 3ias n GLY 105 N -1.05 0.69 3.53 0.83 0.00 0.36 -4.89 105.19 104.66 3ias n GLY 105 Ca -0.03 -0.41 -0.33 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.53 3.50 0.78 -0.61 1.01 -1.23 -5.03 121.20 117.07 3ias s ILE 106 Ca 0.00 -0.55 -0.08 0.00 0.00 0.00 0.00 60.65 60.02 3ias s ILE 106 Cb 0.00 -2.42 0.12 0.00 0.01 0.00 0.00 42.46 40.16 3ias s ILE 106 CO 0.00 0.58 1.09 -0.83 0.00 0.00 0.00 174.94 175.78 3ias s GLY 107 N -0.63 1.73 0.18 6.18 0.00 -1.26 -4.80 107.32 108.72 3ias s GLY 107 Ca 0.09 -1.21 -0.11 0.00 0.00 0.00 0.00 44.72 43.50 3ias s GLY 107 CO 0.02 -0.67 1.71 -0.56 0.00 0.00 0.00 173.10 173.60 3ias h PRO 108 N -0.85 0.99 -0.13 2.90 0.13 -2.01 -2.78 132.00 130.24 3ias h PRO 108 Ca -0.42 -0.21 -0.03 0.00 -0.87 0.00 0.00 66.00 64.47 3ias h PRO 108 Cb 1.28 -0.14 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 3ias h PRO 108 CO 0.49 0.86 -0.05 0.78 -0.23 0.00 0.00 178.00 179.86 3ias h GLY 109 N 0.91 0.20 -1.09 1.56 0.00 -1.95 -3.40 103.07 99.31 3ias h GLY 109 Ca 0.21 -0.10 -0.46 0.00 0.00 0.00 0.00 47.33 46.98 3ias h GLY 109 CO -0.01 0.10 0.30 -0.54 0.00 0.00 0.00 176.54 176.39 3ias s GLU 110 N -4.91 0.82 -0.02 4.80 2.02 -1.05 -4.97 118.70 115.39 3ias s GLU 110 Ca -0.06 -0.84 -0.01 0.00 0.02 0.00 0.00 54.97 54.09 3ias s GLU 110 Cb 0.16 -2.03 0.02 0.00 0.10 0.00 0.00 34.13 32.38 3ias s GLU 110 CO 0.71 -2.18 0.05 0.54 0.02 0.00 0.00 175.26 174.40 3ias s VAL 111 N -3.64 -0.03 0.52 2.63 0.11 -1.26 -4.48 120.40 114.24 3ias s VAL 111 Ca 0.73 0.12 -0.20 0.00 -2.93 0.00 0.00 61.98 59.71 3ias s VAL 111 Cb -0.03 -0.09 -0.09 0.00 -1.53 0.00 0.00 36.38 34.64 3ias s VAL 111 CO 0.50 0.05 0.64 1.07 -3.33 0.00 0.00 175.10 174.03 3ias n THR 112 N 3.72 2.33 -0.16 5.04 5.66 -0.53 -4.81 114.28 125.54 3ias n THR 112 Ca -0.21 -0.50 -0.02 0.00 -3.05 0.00 0.00 64.05 60.26 3ias n THR 112 Cb 0.54 -0.77 0.05 0.00 -1.55 0.00 0.00 70.33 68.61 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 0.56 0.07 0.00 1.09 0.13 -1.92 0.11 132.00 132.04 3ias h PRO 113 Ca -0.45 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3ias h PRO 113 Cb 1.39 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.50 3ias h PRO 113 CO 0.50 0.05 0.00 0.38 -0.23 0.00 0.00 178.00 178.69 3ias h ASP 114 N 0.07 0.00 -3.78 1.44 2.03 -1.99 -3.47 116.42 110.72 3ias h ASP 114 Ca 0.25 0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 56.52 3ias h ASP 114 Cb 0.38 0.00 0.02 0.00 -0.83 0.00 0.00 39.33 38.89 3ias h ASP 114 CO -0.44 0.00 -0.08 0.61 -1.03 0.00 0.00 179.24 178.29 3ias n GLY 115 N -0.90 -0.36 0.00 7.15 0.00 0.39 -4.99 105.19 106.48 3ias n GLY 115 Ca -0.01 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.48 0.00 -3.84 0.99 -0.00 -1.26 -4.23 117.00 107.17 3ias n LEU 116 Ca -0.01 0.00 -0.27 0.00 -0.00 0.00 0.00 56.01 55.74 3ias n LEU 116 Cb 0.51 0.00 -0.17 0.00 -0.00 0.00 0.00 43.42 43.76 3ias n LEU 116 CO 0.18 0.14 -0.41 -0.36 -0.00 0.00 0.00 177.39 176.95 3ias s PHE 117 N 0.00 1.31 0.28 1.47 0.08 -1.26 0.45 117.98 120.32 3ias s PHE 117 Ca 0.00 -0.78 0.09 0.00 0.12 0.00 0.00 56.93 56.36 3ias s PHE 117 Cb 0.00 -1.13 -0.04 0.00 -0.57 0.00 0.00 43.02 41.27 3ias s PHE 117 CO 0.00 -0.53 0.03 -1.12 -0.10 0.00 0.00 175.22 173.50 3ias s SER 118 N 1.76 4.63 0.18 1.36 0.01 -1.17 -1.46 113.70 119.01 3ias s SER 118 Ca 0.02 -0.64 0.07 0.00 1.31 0.00 0.00 55.95 56.70 3ias s SER 118 Cb -0.14 -0.86 -0.05 0.00 0.21 0.00 0.00 66.02 65.18 3ias s SER 118 CO -0.07 -0.05 -0.13 0.68 0.41 0.00 0.00 173.24 174.08 3ias s VAL 119 N -2.33 1.53 -0.30 3.43 -7.23 -1.26 -1.65 120.40 112.59 3ias s VAL 119 Ca 0.32 -2.14 -0.16 0.00 -1.81 0.00 0.00 61.98 58.20 3ias s VAL 119 Cb -0.06 -1.95 0.17 0.00 0.56 0.00 0.00 36.38 35.10 3ias s VAL 119 CO 0.21 -0.64 1.04 -1.58 -0.31 0.00 0.00 175.10 173.82 3ias s GLN 120 N -3.62 0.27 0.27 4.82 0.74 -0.92 -4.51 119.66 116.71 3ias s GLN 120 Ca 0.20 0.57 -0.29 0.00 0.05 0.00 0.00 55.36 55.88 3ias s GLN 120 Cb 0.00 0.22 -0.09 0.00 1.10 0.00 0.00 33.01 34.24 3ias s GLN 120 CO 0.04 -0.07 1.12 0.15 -0.55 0.00 0.00 175.29 175.98 3ias s LYS 121 N 1.84 4.61 0.30 1.67 1.02 -1.26 -0.69 119.74 127.24 3ias s LYS 121 Ca -0.05 1.83 0.02 0.00 0.02 0.00 0.00 55.97 57.79 3ias s LYS 121 Cb -0.04 -3.19 -0.01 0.00 -0.52 0.00 0.00 37.83 34.07 3ias s LYS 121 CO -0.16 0.16 0.09 0.28 -0.92 0.00 0.00 175.35 174.81 3ias n VAL 122 N 1.34 0.00 -2.14 3.17 0.31 0.25 -4.83 118.33 116.44 3ias n VAL 122 Ca -0.00 -1.70 0.00 0.00 -0.01 0.00 0.00 64.34 62.62 3ias n VAL 122 Cb 0.45 0.57 0.00 0.00 -0.91 0.00 0.00 33.84 33.95 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 -0.69 0.90 -1.86 5.55 -0.58 -1.26 -2.14 120.64 120.55 3ias n GLU 123 Ca -0.06 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.26 3ias n GLU 123 Cb 0.44 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 31.28 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 6.73 3.52 -2.75 0.00 4.77 -1.26 -4.91 117.00 123.10 3ias n LEU 125 Ca 0.18 -1.77 -0.16 0.00 -0.03 0.00 0.00 56.01 54.22 3ias n LEU 125 Cb 0.41 -0.49 0.06 0.00 -2.33 0.00 0.00 43.42 41.08 3ias n LEU 125 CO 0.64 0.60 0.15 0.61 -1.33 0.00 0.00 177.39 178.07 3ias n GLY 126 N 0.87 -0.13 2.66 -0.72 0.00 -1.26 -4.91 105.19 101.70 3ias n GLY 126 Ca 0.18 -0.02 -0.08 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.97 -0.73 -0.05 1.61 3.41 -1.26 -4.99 113.62 109.64 3ias n SER 127 Ca -0.05 -2.67 0.03 0.00 -0.26 0.00 0.00 58.87 55.91 3ias n SER 127 Cb 0.56 0.51 0.37 0.00 -0.26 0.00 0.00 64.21 65.40 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 0.67 0.00 -1.43 0.00 2.07 -1.96 -1.57 115.15 112.92 3ias h HIS 129 Ca 0.18 0.00 -0.69 0.00 -2.85 0.00 0.00 60.37 57.01 3ias h HIS 129 Cb -0.05 0.00 -0.31 0.00 2.57 0.00 0.00 27.41 29.61 3ias h HIS 129 CO 0.00 0.07 0.59 0.25 -3.07 0.00 0.00 177.93 175.76 3ias n THR 130 N -4.22 3.36 -2.26 6.12 -2.24 -0.72 -4.86 114.28 109.46 3ias n THR 130 Ca -0.03 -3.85 -0.28 0.00 -2.27 0.00 0.00 64.05 57.62 3ias n THR 130 Cb 0.15 -1.20 0.02 0.00 -2.10 0.00 0.00 70.33 67.20 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 -3.87 3.20 0.53 6.98 0.00 -0.59 -1.92 121.76 126.09 3ias s ALA 131 Ca 0.56 -0.49 -0.17 0.00 0.00 0.00 0.00 51.96 51.86 3ias s ALA 131 Cb 0.46 -2.76 -0.07 0.00 0.00 0.00 0.00 23.12 20.75 3ias s ALA 131 CO -0.19 -0.77 1.01 -1.25 0.00 0.00 0.00 175.76 174.57 3ias s PRO 132 N -5.05 3.74 -0.01 0.00 0.04 -1.26 -4.47 135.00 127.99 3ias s PRO 132 Ca 0.54 1.07 0.07 0.00 0.04 0.00 0.00 61.00 62.72 3ias s PRO 132 Cb -0.11 -2.10 -0.02 0.00 0.04 0.00 0.00 34.50 32.31 3ias s PRO 132 CO 0.48 -0.45 -0.22 0.08 0.04 0.00 0.00 177.00 176.93 3ias s VAL 133 N -2.50 2.46 -0.04 -0.36 1.01 -1.26 -1.18 120.40 118.52 3ias s VAL 133 Ca 0.61 -1.05 0.04 0.00 0.00 0.00 0.00 61.98 61.58 3ias s VAL 133 Cb -0.12 -1.93 -0.00 0.00 0.00 0.00 0.00 36.38 34.33 3ias s VAL 133 CO 0.31 0.52 -0.16 -0.63 0.00 0.00 0.00 175.10 175.15 3ias s ILE 134 N -0.71 1.35 -0.14 2.22 1.01 -1.15 -2.43 121.20 121.35 3ias s ILE 134 Ca 0.11 -0.67 -0.07 0.00 0.00 0.00 0.00 60.65 60.03 3ias s ILE 134 Cb -0.10 -1.17 -0.04 0.00 0.01 0.00 0.00 42.46 41.15 3ias s ILE 134 CO 0.01 0.39 0.10 -1.58 0.00 0.00 0.00 174.94 173.86 3ias s GLN 135 N 0.12 3.60 0.00 2.79 0.74 -0.78 -0.13 119.66 126.00 3ias s GLN 135 Ca -0.05 -0.23 0.00 0.00 0.05 0.00 0.00 55.36 55.12 3ias s GLN 135 Cb -0.12 -3.17 0.00 0.00 1.10 0.00 0.00 33.01 30.82 3ias s GLN 135 CO 0.02 0.58 0.00 0.28 -0.55 0.00 0.00 175.29 175.63 3ias n VAL 136 N 2.59 0.00 0.00 1.34 0.31 -1.26 -1.41 118.33 119.90 3ias n VAL 136 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 3ias n VAL 136 Cb 0.54 0.00 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 -0.81 4.52 3.02 -1.26 -4.26 115.26 116.46 3ias n ASN 137 Ca 0.00 0.00 0.09 0.00 -0.03 0.00 0.00 54.58 54.64 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 3.73 -4.53 6.41 5.75 -1.26 -4.99 116.55 121.67 3ias n ASP 138 Ca 0.00 -3.03 -0.25 0.00 -0.01 0.00 0.00 54.79 51.50 3ias n ASP 138 Cb 0.00 -0.53 -0.11 0.00 -1.03 0.00 0.00 41.12 39.45 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 -2.84 1.80 0.05 0.11 -1.05 -1.26 -5.10 118.70 110.41 3ias s GLU 139 Ca 0.41 -2.01 -0.08 0.00 -0.15 0.00 0.00 54.97 53.14 3ias s GLU 139 Cb 0.34 -1.23 -0.05 0.00 -0.44 0.00 0.00 34.13 32.75 3ias s GLU 139 CO 0.08 -0.13 0.16 -2.30 0.95 0.00 0.00 175.26 174.02 3ias n PRO 140 N -0.83 0.00 -2.13 -4.83 -0.02 -1.26 -4.00 135.00 121.93 3ias n PRO 140 Ca -0.04 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 61.03 3ias n PRO 140 Cb 0.67 -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 -0.25 3.17 -1.03 6.00 2.02 -1.26 -4.46 117.35 121.54 3ias s TYR 141 Ca 0.18 1.10 -0.22 0.00 -0.37 0.00 0.00 57.07 57.76 3ias s TYR 141 Cb -0.27 -3.70 0.07 0.00 -0.40 0.00 0.00 41.96 37.66 3ias s TYR 141 CO 0.16 -2.27 1.42 0.08 -1.57 0.00 0.00 175.55 173.37 3ias s VAL 142 N 0.26 4.10 0.45 0.71 1.01 0.81 -4.97 120.40 122.77 3ias s VAL 142 Ca 0.59 -1.03 -0.18 0.00 0.00 0.00 0.00 61.98 61.36 3ias s VAL 142 Cb -0.39 -5.02 -0.09 0.00 0.00 0.00 0.00 36.38 30.88 3ias s VAL 142 CO 0.38 -1.87 0.94 -1.61 0.00 0.00 0.00 175.10 172.94 3ias s GLU 143 N 4.45 4.07 -1.11 2.72 2.02 -1.26 -2.93 118.70 126.67 3ias s GLU 143 Ca 0.44 0.98 -0.04 0.00 0.02 0.00 0.00 54.97 56.38 3ias s GLU 143 Cb -0.01 -2.19 -0.04 0.00 0.10 0.00 0.00 34.13 31.99 3ias s GLU 143 CO -0.08 -0.11 0.95 0.00 0.02 0.00 0.00 175.26 176.03 3ias s VAL 145 N -3.38 3.40 0.74 0.00 1.01 -0.33 -4.84 120.40 117.01 3ias s VAL 145 Ca 0.28 -0.26 -0.12 0.00 0.00 0.00 0.00 61.98 61.89 3ias s VAL 145 Cb -0.04 -3.93 0.03 0.00 0.00 0.00 0.00 36.38 32.45 3ias s VAL 145 CO 0.74 -0.88 1.12 0.42 0.00 0.00 0.00 175.10 176.50 3ias s THR 146 N 10.23 3.11 0.17 3.92 -4.23 -1.26 -4.57 115.64 123.01 3ias s THR 146 Ca 0.71 0.36 -0.15 0.00 -1.18 0.00 0.00 61.69 61.43 3ias s THR 146 Cb -0.08 -3.33 0.07 0.00 1.34 0.00 0.00 72.50 70.50 3ias s THR 146 CO 0.03 -0.47 1.72 -0.09 -0.54 0.00 0.00 174.62 175.27 3ias h ARG 147 N -0.79 0.19 0.30 3.99 2.43 -1.99 0.19 114.38 118.69 3ias h ARG 147 Ca -0.45 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 58.69 3ias h ARG 147 Cb 1.27 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.78 3ias h ARG 147 CO 0.64 0.12 -0.14 0.00 -1.51 0.00 0.00 179.97 179.08 3ias h ALA 148 N 1.33 -0.40 -0.84 2.80 0.00 -1.99 -2.56 119.26 117.61 3ias h ALA 148 Ca 0.21 -0.15 0.14 0.00 0.00 0.00 0.00 54.91 55.10 3ias h ALA 148 Cb 0.26 0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.14 3ias h ALA 148 CO -0.28 -0.63 0.55 -0.09 0.00 0.00 0.00 179.25 178.80 3ias h ARG 149 N -0.59 0.60 0.09 0.00 2.43 -1.76 -2.17 114.38 112.98 3ias h ARG 149 Ca -0.04 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.09 3ias h ARG 149 Cb 0.43 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 3ias h ARG 149 CO 0.07 0.40 -0.04 1.25 -1.51 0.00 0.00 179.97 180.13 3ias h LEU 150 N 0.62 -0.10 -2.32 3.80 7.12 -0.41 -1.23 115.31 122.79 3ias h LEU 150 Ca 0.41 -0.25 0.04 0.00 0.13 0.00 0.00 57.88 58.21 3ias h LEU 150 Cb 0.71 0.03 -0.00 0.00 -0.53 0.00 0.00 40.66 40.86 3ias h LEU 150 CO -0.17 0.20 0.15 -0.33 -0.13 0.00 0.00 178.44 178.16 3ias h GLU 151 N -0.40 0.00 0.07 1.25 5.08 -1.00 0.23 114.58 119.81 3ias h GLU 151 Ca -0.01 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.11 3ias h GLU 151 Cb 0.34 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.61 3ias h GLU 151 CO 0.02 0.00 -0.99 0.00 -1.00 0.00 0.00 179.01 177.04 3ias h ALA 152 N 1.82 0.03 -0.37 3.43 0.00 -0.95 -0.52 119.26 122.70 3ias h ALA 152 Ca 0.06 -0.70 -0.11 0.00 0.00 0.00 0.00 54.91 54.16 3ias h ALA 152 Cb 0.36 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3ias h ALA 152 CO -0.00 0.56 -0.21 1.25 0.00 0.00 0.00 179.25 180.85 3ias h LEU 153 N 0.12 0.71 0.55 0.00 7.12 0.11 -1.69 115.31 122.23 3ias h LEU 153 Ca -0.14 -0.25 -0.03 0.00 0.13 0.00 0.00 57.88 57.59 3ias h LEU 153 Cb 1.69 -0.19 0.01 0.00 -0.53 0.00 0.00 40.66 41.63 3ias h LEU 153 CO 0.19 0.91 -0.26 -0.07 -0.13 0.00 0.00 178.44 179.08 3ias h LEU 154 N 0.62 -0.62 -2.06 2.25 3.38 -0.68 -2.82 115.31 115.38 3ias h LEU 154 Ca 0.09 0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.16 3ias h LEU 154 Cb 0.70 0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 3ias h LEU 154 CO 0.05 -0.33 0.22 0.00 0.09 0.00 0.00 178.44 178.47 3ias h ALA 155 N -1.43 2.17 0.06 1.53 0.00 -1.12 -0.42 119.26 120.05 3ias h ALA 155 Ca -0.08 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 3ias h ALA 155 Cb 0.56 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3ias h ALA 155 CO 0.12 -0.36 -0.03 0.78 0.00 0.00 0.00 179.25 179.76 3ias h GLY 156 N 0.00 -0.09 1.21 0.00 0.00 -1.32 -2.77 103.07 100.10 3ias h GLY 156 Ca 0.13 0.03 -0.09 0.00 0.00 0.00 0.00 47.33 47.41 3ias h GLY 156 CO -0.00 -0.03 -0.00 1.41 0.00 0.00 0.00 176.54 177.92 3ias h LEU 157 N -0.49 0.92 -1.77 3.11 3.38 -1.13 -2.38 115.31 116.95 3ias h LEU 157 Ca -0.01 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.71 3ias h LEU 157 Cb 0.43 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.93 3ias h LEU 157 CO 0.01 0.98 0.04 0.03 0.09 0.00 0.00 178.44 179.60 3ias h ARG 158 N 0.88 0.00 -0.45 1.13 3.08 -1.07 0.23 114.38 118.17 3ias h ARG 158 Ca 0.16 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.13 3ias h ARG 158 Cb 0.52 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.52 3ias h ARG 158 CO 0.03 0.00 0.06 0.00 -1.07 0.00 0.00 179.97 178.99 3ias n ALA 159 N -1.83 3.71 0.00 0.04 0.00 -0.91 -4.95 120.51 116.56 3ias n ALA 159 Ca -0.02 -2.37 0.00 0.00 0.00 0.00 0.00 53.44 51.06 3ias n ALA 159 Cb 0.08 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 18.61 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 -0.32 2.27 3.65 0.00 0.00 0.79 -4.96 105.19 106.62 3ias n GLY 160 Ca 0.29 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.82 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 2.00 -1.68 1.61 5.02 -1.10 -4.90 118.16 117.18 3ias n LYS 161 Ca 0.00 0.70 -0.46 0.00 -2.02 0.00 0.00 58.31 56.53 3ias n LYS 161 Cb 0.00 -2.66 -0.04 0.00 -0.02 0.00 0.00 35.03 32.31 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 7.00 2.30 -0.22 1.97 1.85 -1.26 -4.38 116.66 123.91 3ias n ARG 162 Ca 0.26 0.83 0.03 0.00 -1.00 0.00 0.00 57.85 57.97 3ias n ARG 162 Cb 0.29 -2.65 0.13 0.00 -1.05 0.00 0.00 32.46 29.18 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 7.51 -0.15 0.00 2.89 6.46 -1.96 -2.14 115.31 127.92 3ias h LEU 163 Ca -0.46 0.15 0.00 0.00 -0.12 0.00 0.00 57.88 57.45 3ias h LEU 163 Cb 1.25 0.24 0.00 0.00 -0.73 0.00 0.00 40.66 41.42 3ias h LEU 163 CO 0.92 -0.08 0.09 -1.84 -0.62 0.00 0.00 178.44 176.91 3ias n GLU 164 N -5.23 0.00 -3.13 1.25 0.28 -1.26 -1.84 120.64 110.72 3ias n GLU 164 Ca 0.11 0.19 -0.17 0.00 -0.16 0.00 0.00 57.16 57.14 3ias n GLU 164 Cb 0.40 -1.59 -0.01 0.00 1.43 0.00 0.00 31.44 31.67 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 -4.79 3.44 0.28 -0.80 -5.08 120.64 113.54 3ias n GLU 165 Ca 0.00 -3.17 -0.33 0.00 -0.16 0.00 0.00 57.16 53.50 3ias n GLU 165 Cb 0.09 -1.61 -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 -2.04 2.83 -0.07 3.84 1.01 -0.76 -4.86 121.20 121.15 3ias s ILE 166 Ca 0.37 -0.74 -0.30 0.00 0.00 0.00 0.00 60.65 59.99 3ias s ILE 166 Cb 0.34 -2.17 -0.05 0.00 0.01 0.00 0.00 42.46 40.59 3ias s ILE 166 CO -0.08 0.53 1.51 -1.83 0.00 0.00 0.00 174.94 175.07 3ias s GLU 167 N 0.45 4.21 -0.33 2.79 -1.05 -1.26 -4.98 118.70 118.53 3ias s GLU 167 Ca -0.11 2.02 -0.07 0.00 -0.15 0.00 0.00 54.97 56.66 3ias s GLU 167 Cb -0.16 -3.84 0.04 0.00 -0.44 0.00 0.00 34.13 29.72 3ias s GLU 167 CO 0.05 -0.76 0.10 -0.51 0.95 0.00 0.00 175.26 175.10 3ias s LEU 168 N 3.55 4.27 0.18 1.83 1.43 -1.26 -4.87 118.68 123.81 3ias s LEU 168 Ca 0.67 -1.08 -0.33 0.00 -1.03 0.00 0.00 54.13 52.35 3ias s LEU 168 Cb -0.30 -1.87 -0.14 0.00 0.03 0.00 0.00 46.19 43.90 3ias s LEU 168 CO 0.25 -0.31 1.43 -0.81 0.23 0.00 0.00 176.35 177.14 3ias n PRO 169 N 4.82 1.82 0.00 1.29 -0.04 -1.26 -4.72 135.00 136.91 3ias n PRO 169 Ca -0.13 0.65 0.00 0.00 -0.04 0.00 0.00 63.50 63.98 3ias n PRO 169 Cb 0.45 -2.33 0.00 0.00 -0.04 0.00 0.00 33.50 31.58 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 2.67 0.51 3.47 0.55 0.00 -1.26 -4.72 105.19 106.41 3ias n GLY 170 Ca 0.15 -1.83 -0.33 0.00 0.00 0.00 0.00 46.02 44.01 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 -2.30 2.84 -0.05 1.61 -2.85 -1.26 -5.12 119.74 112.61 3ias s LYS 171 Ca 0.00 -0.65 -0.01 0.00 -1.00 0.00 0.00 55.97 54.30 3ias s LYS 171 Cb 0.00 -2.51 0.03 0.00 -2.06 0.00 0.00 37.83 33.29 3ias s LYS 171 CO 0.00 0.51 0.02 0.00 0.10 0.00 0.00 175.35 175.97 3ias n GLY 173 N 4.95 -3.74 0.00 0.00 0.00 -1.26 -5.08 105.19 100.06 3ias n GLY 173 Ca -0.10 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.62 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 -4.89 0.00 -0.30 1.61 -0.00 -1.26 -4.86 115.22 105.52 3ias n HIS 174 Ca 0.10 0.00 0.12 0.00 0.46 0.00 0.00 57.72 58.39 3ias n HIS 174 Cb 0.42 0.00 0.32 0.00 -0.12 0.00 0.00 29.99 30.61 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 0.97 -3.67 1.57 1.44 -1.26 -4.83 115.22 109.44 3ias n HIS 175 Ca 0.00 -0.48 -0.15 0.00 -2.01 0.00 0.00 57.72 55.08 3ias n HIS 175 Cb 0.00 0.00 -0.08 0.00 0.12 0.00 0.00 29.99 30.03 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 -1.03 0.01 -0.08 0.61 -7.23 -1.26 -5.12 120.40 106.30 3ias s VAL 176 Ca 0.48 -0.12 -0.04 0.00 -1.81 0.00 0.00 61.98 60.50 3ias s VAL 176 Cb 0.25 -0.77 0.04 0.00 0.56 0.00 0.00 36.38 36.46 3ias s VAL 176 CO 0.33 -0.06 0.19 -2.28 -0.31 0.00 0.00 175.10 172.96 3ias s HIS 177 N -0.46 -0.23 -0.18 2.82 2.46 -1.26 -4.43 115.29 114.01 3ias s HIS 177 Ca -0.06 0.59 -0.14 0.00 0.47 0.00 0.00 55.06 55.92 3ias s HIS 177 Cb -0.03 -0.02 -0.04 0.00 -0.13 0.00 0.00 32.58 32.36 3ias s HIS 177 CO 0.04 -0.18 0.31 -2.00 -2.47 0.00 0.00 174.74 170.44 3ias s GLU 178 N 1.05 4.21 -0.02 2.88 2.56 -1.26 -5.01 118.70 123.12 3ias s GLU 178 Ca -0.08 0.09 0.00 0.00 0.00 0.00 0.00 54.97 54.99 3ias s GLU 178 Cb -0.10 -3.47 -0.04 0.00 2.00 0.00 0.00 34.13 32.52 3ias s GLU 178 CO -0.06 0.13 0.02 0.08 -0.56 0.00 0.00 175.26 174.87 3ias s VAL 179 N 0.80 4.30 0.00 3.70 1.01 -1.26 -4.94 120.40 124.01 3ias s VAL 179 Ca 0.16 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 61.64 3ias s VAL 179 Cb -0.14 -2.91 0.00 0.00 0.00 0.00 0.00 36.38 33.34 3ias s VAL 179 CO 0.05 0.41 0.28 -0.62 0.00 0.00 0.00 175.10 175.22