#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ias n ARG 2 N 0.00 0.00 -0.10 0.03 1.74 -1.26 -1.20 116.66 115.87 3ias n ARG 2 Ca 0.00 0.00 -0.17 0.00 -0.77 0.00 0.00 57.85 56.91 3ias n ARG 2 Cb 0.00 -1.47 -0.13 0.00 -1.02 0.00 0.00 32.46 29.84 3ias n ARG 2 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 3ias n LEU 3 N -0.90 2.45 -0.35 0.55 7.94 -1.26 -4.03 117.00 121.40 3ias n LEU 3 Ca 0.00 -0.04 0.06 0.00 -1.11 0.00 0.00 56.01 54.92 3ias n LEU 3 Cb 0.00 -0.73 0.22 0.00 0.53 0.00 0.00 43.42 43.44 3ias n LEU 3 CO 0.00 0.85 1.22 -0.33 -1.11 0.00 0.00 177.39 178.01 3ias h GLU 4 N 0.01 0.95 0.00 1.96 5.08 -1.59 0.47 114.58 121.46 3ias h GLU 4 Ca -0.54 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 57.76 3ias h GLU 4 Cb 1.98 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 31.01 3ias h GLU 4 CO -0.03 0.63 -0.04 0.00 -1.00 0.00 0.00 179.01 178.56 3ias h ARG 5 N 0.97 0.00 0.14 2.33 3.08 -1.73 0.59 114.38 119.76 3ias h ARG 5 Ca 0.47 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 60.23 3ias h ARG 5 Cb 0.42 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.50 3ias h ARG 5 CO -0.25 0.04 -1.26 0.28 -1.07 0.00 0.00 179.97 177.71 3ias h VAL 6 N 0.00 1.35 0.16 2.04 2.07 -0.26 -3.15 116.25 118.46 3ias h VAL 6 Ca -0.00 -2.65 -0.01 0.00 0.82 0.00 0.00 66.70 64.86 3ias h VAL 6 Cb 0.20 2.80 0.00 0.00 -1.52 0.00 0.00 31.29 32.76 3ias h VAL 6 CO 0.01 0.79 -0.08 -0.07 0.02 0.00 0.00 177.57 178.24 3ias h LEU 7 N 0.20 -0.18 -1.95 2.57 3.38 0.16 -0.30 115.31 119.19 3ias h LEU 7 Ca -0.18 -0.21 0.39 0.00 0.09 0.00 0.00 57.88 57.98 3ias h LEU 7 Cb 1.95 0.05 -0.05 0.00 0.09 0.00 0.00 40.66 42.69 3ias h LEU 7 CO 0.23 0.37 1.01 -0.33 0.09 0.00 0.00 178.44 179.81 3ias h GLU 8 N -1.00 0.00 0.00 1.13 5.08 -0.06 0.48 114.58 120.21 3ias h GLU 8 Ca -0.02 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 3ias h GLU 8 Cb 0.38 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 3ias h GLU 8 CO 0.04 0.00 -0.19 1.49 -1.00 0.00 0.00 179.01 179.35 3ias h GLU 9 N 0.00 0.00 -0.35 2.33 4.81 -1.50 -3.28 114.58 116.59 3ias h GLU 9 Ca 0.65 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.84 3ias h GLU 9 Cb 2.66 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 32.02 3ias h GLU 9 CO -0.01 0.89 0.07 0.00 -0.73 0.00 0.00 179.01 179.24 3ias h ALA 10 N -0.18 1.48 -0.29 2.92 0.00 0.92 -2.38 119.26 121.73 3ias h ALA 10 Ca -0.05 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 54.77 3ias h ALA 10 Cb 0.94 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.53 3ias h ALA 10 CO -0.03 0.39 -0.05 0.00 0.00 0.00 0.00 179.25 179.56 3ias h ARG 11 N 0.51 0.02 0.00 0.00 3.08 -0.28 -1.85 114.38 115.86 3ias h ARG 11 Ca 0.12 -0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.11 3ias h ARG 11 Cb 0.21 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 3ias h ARG 11 CO -0.00 0.02 -0.28 0.00 -1.07 0.00 0.00 179.97 178.64 3ias h ALA 12 N 1.27 1.33 -0.83 0.04 0.00 -1.49 -3.32 119.26 116.26 3ias h ALA 12 Ca 0.14 -0.25 -0.50 0.00 0.00 0.00 0.00 54.91 54.30 3ias h ALA 12 Cb 0.20 -0.04 -0.27 0.00 0.00 0.00 0.00 17.79 17.68 3ias h ALA 12 CO -0.27 0.34 0.42 1.17 0.00 0.00 0.00 179.25 180.91 3ias n LYS 13 N -3.90 2.41 -2.38 0.00 4.81 -0.72 -4.91 118.16 113.47 3ias n LYS 13 Ca -0.02 -3.24 -0.14 0.00 -0.87 0.00 0.00 58.31 54.04 3ias n LYS 13 Cb 0.35 -2.14 -0.01 0.00 0.02 0.00 0.00 35.03 33.25 3ias n LYS 13 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3ias n GLY 14 N -1.04 -0.40 3.53 3.14 0.00 -1.22 -4.96 105.19 104.24 3ias n GLY 14 Ca 0.54 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.14 3ias n GLY 14 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ias s TYR 15 N -2.65 3.18 0.25 1.61 2.02 -1.05 -5.04 117.35 115.67 3ias s TYR 15 Ca 0.00 -0.07 -0.30 0.00 -0.37 0.00 0.00 57.07 56.33 3ias s TYR 15 Cb 0.00 -2.88 -0.10 0.00 -0.40 0.00 0.00 41.96 38.58 3ias s TYR 15 CO 0.00 -0.58 1.47 -2.14 -1.57 0.00 0.00 175.55 172.73 3ias s PRO 16 N 2.24 4.24 -0.23 -1.71 0.02 -1.25 -4.62 135.00 133.68 3ias s PRO 16 Ca 0.15 2.35 -0.06 0.00 0.02 0.00 0.00 61.00 63.47 3ias s PRO 16 Cb -0.16 -3.10 -0.02 0.00 0.02 0.00 0.00 34.50 31.24 3ias s PRO 16 CO 0.13 -0.47 0.02 0.42 -0.33 0.00 0.00 177.00 176.78 3ias s ILE 17 N 0.05 3.92 0.20 2.83 -1.09 -1.26 -1.58 121.20 124.27 3ias s ILE 17 Ca 0.61 -0.31 -0.03 0.00 -2.23 0.00 0.00 60.65 58.69 3ias s ILE 17 Cb -0.43 -2.81 -0.05 0.00 -1.58 0.00 0.00 42.46 37.59 3ias s ILE 17 CO 0.44 0.38 0.42 -1.61 -1.23 0.00 0.00 174.94 173.33 3ias s GLU 18 N 1.48 3.58 -0.29 2.79 2.02 -1.21 -4.97 118.70 122.09 3ias s GLU 18 Ca 0.05 -0.18 -0.14 0.00 0.02 0.00 0.00 54.97 54.73 3ias s GLU 18 Cb -0.15 -2.80 0.13 0.00 0.10 0.00 0.00 34.13 31.41 3ias s GLU 18 CO 0.01 0.39 0.80 0.34 0.02 0.00 0.00 175.26 176.82 3ias s ASP 19 N -2.88 -0.84 0.10 -0.19 2.15 -1.26 -1.26 116.67 112.48 3ias s ASP 19 Ca 0.41 1.23 0.03 0.00 0.43 0.00 0.00 52.55 54.64 3ias s ASP 19 Cb -0.11 1.73 -0.04 0.00 -0.30 0.00 0.00 42.92 44.20 3ias s ASP 19 CO 0.27 -0.18 0.15 0.54 -0.17 0.00 0.00 175.17 175.78 3ias s ASN 20 N 2.20 5.83 0.00 -0.34 2.20 -1.19 -5.00 114.94 118.65 3ias s ASN 20 Ca -0.07 0.06 0.05 0.00 -0.94 0.00 0.00 52.86 51.96 3ias s ASN 20 Cb -0.07 -1.65 0.24 0.00 -2.00 0.00 0.00 41.25 37.78 3ias s ASN 20 CO -0.18 0.13 1.04 0.61 -2.94 0.00 0.00 177.10 175.76 3ias n GLY 21 N 0.11 -0.50 0.13 0.45 0.00 -1.26 -3.16 105.19 100.96 3ias n GLY 21 Ca -0.07 -0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.04 3ias n GLY 21 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3ias h LEU 22 N 0.00 0.00 0.00 0.99 3.38 -2.06 -3.47 115.31 114.15 3ias h LEU 22 Ca 0.00 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3ias h LEU 22 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 3ias h LEU 22 CO 0.00 0.02 0.00 0.61 0.09 0.00 0.00 178.44 179.16 3ias n GLY 23 N 1.19 0.04 3.58 0.83 0.00 -1.19 -5.13 105.19 104.52 3ias n GLY 23 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 3ias n GLY 23 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ias s ASN 24 N -0.05 5.54 -0.02 1.61 0.02 -1.26 -5.06 114.94 115.72 3ias s ASN 24 Ca 0.00 -0.00 0.05 0.00 -1.02 0.00 0.00 52.86 51.89 3ias s ASN 24 Cb 0.00 -1.97 -0.01 0.00 0.02 0.00 0.00 41.25 39.29 3ias s ASN 24 CO 0.00 0.10 -0.17 -1.48 0.02 0.00 0.00 177.10 175.57 3ias s LEU 25 N 0.83 2.00 0.56 0.60 2.34 -1.26 -3.16 118.68 120.58 3ias s LEU 25 Ca 0.04 -0.31 0.07 0.00 0.06 0.00 0.00 54.13 53.99 3ias s LEU 25 Cb -0.13 -0.88 0.05 0.00 -0.56 0.00 0.00 46.19 44.67 3ias s LEU 25 CO 0.02 0.19 0.51 0.26 -1.06 0.00 0.00 176.35 176.27 3ias s TRP 26 N -0.28 1.54 -0.29 3.48 0.51 -0.39 -1.96 118.94 121.55 3ias s TRP 26 Ca 0.04 -0.82 0.01 0.00 -2.12 0.00 0.00 56.10 53.21 3ias s TRP 26 Cb -0.08 -1.99 0.19 0.00 -0.81 0.00 0.00 33.47 30.79 3ias s TRP 26 CO 0.00 -0.67 0.69 0.54 -0.51 0.00 0.00 176.95 177.01 3ias s VAL 27 N -2.75 -0.84 0.16 4.03 0.11 -1.15 -3.35 120.40 116.61 3ias s VAL 27 Ca 0.41 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 59.16 3ias s VAL 27 Cb -0.03 -0.87 -0.08 0.00 -1.53 0.00 0.00 36.38 33.87 3ias s VAL 27 CO 0.26 0.00 1.29 0.54 -3.33 0.00 0.00 175.10 173.86 3ias s VAL 28 N 2.86 3.40 -0.09 2.04 0.11 -0.61 -2.79 120.40 125.32 3ias s VAL 28 Ca 0.14 1.10 0.01 0.00 -2.93 0.00 0.00 61.98 60.31 3ias s VAL 28 Cb -0.09 -3.71 -0.02 0.00 -1.53 0.00 0.00 36.38 31.03 3ias s VAL 28 CO -0.24 0.14 -0.10 -0.76 -3.33 0.00 0.00 175.10 170.81 3ias s LEU 29 N 0.25 2.93 0.00 2.54 1.43 -0.50 -3.96 118.68 121.37 3ias s LEU 29 Ca 0.58 -0.17 -0.10 0.00 -1.03 0.00 0.00 54.13 53.41 3ias s LEU 29 Cb -0.35 -1.64 0.16 0.00 0.03 0.00 0.00 46.19 44.39 3ias s LEU 29 CO 0.35 0.28 0.42 -0.81 0.23 0.00 0.00 176.35 176.83 3ias n PRO 30 N 2.74 -2.82 0.22 1.29 -0.04 -1.26 -4.46 135.00 130.67 3ias n PRO 30 Ca -0.18 -0.69 -0.09 0.00 -0.04 0.00 0.00 63.50 62.50 3ias n PRO 30 Cb 0.53 -0.80 -0.04 0.00 -0.04 0.00 0.00 33.50 33.14 3ias n PRO 30 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 3ias h ARG 31 N 0.00 -0.55 0.00 0.54 9.65 -1.98 -3.30 114.38 118.74 3ias h ARG 31 Ca -0.18 0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.74 3ias h ARG 31 Cb 0.58 0.13 0.00 0.00 -1.39 0.00 0.00 29.97 29.28 3ias h ARG 31 CO 0.11 -0.37 0.00 0.39 2.80 0.00 0.00 179.97 182.90 3ias n GLU 32 N -3.80 0.00 0.18 0.20 -0.58 -1.26 -2.83 120.64 112.55 3ias n GLU 32 Ca -0.07 0.44 0.04 0.00 -0.42 0.00 0.00 57.16 57.15 3ias n GLU 32 Cb 0.23 -1.34 0.22 0.00 -0.57 0.00 0.00 31.44 29.98 3ias n GLU 32 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3ias h ARG 33 N 0.00 0.00 0.63 3.49 2.47 -1.97 -2.93 114.38 116.06 3ias h ARG 33 Ca 0.00 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.69 3ias h ARG 33 Cb 0.00 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.31 3ias h ARG 33 CO 0.00 0.00 -0.43 0.35 0.56 0.00 0.00 179.97 180.45 3ias h PHE 34 N 0.00 -1.17 0.00 3.04 3.57 -1.60 -1.32 116.94 119.47 3ias h PHE 34 Ca 0.00 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 3ias h PHE 34 Cb 1.01 0.43 0.00 0.00 2.79 0.00 0.00 35.95 40.18 3ias h PHE 34 CO 0.00 -0.63 0.00 1.17 -2.23 0.00 0.00 178.31 176.62 3ias n LYS 35 N -5.12 0.00 0.12 1.11 3.00 -1.11 -0.70 118.16 115.46 3ias n LYS 35 Ca -0.12 0.77 -0.14 0.00 -0.00 0.00 0.00 58.31 58.82 3ias n LYS 35 Cb 0.43 -1.23 -0.08 0.00 0.00 0.00 0.00 35.03 34.15 3ias n LYS 35 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.40 178.45 3ias h GLU 36 N 0.00 -0.23 -0.95 1.64 4.11 -1.80 -2.92 114.58 114.43 3ias h GLU 36 Ca 0.00 0.02 0.21 0.00 0.07 0.00 0.00 59.36 59.65 3ias h GLU 36 Cb 0.00 0.05 -0.12 0.00 0.50 0.00 0.00 28.75 29.19 3ias h GLU 36 CO 0.00 -0.09 0.52 0.93 0.07 0.00 0.00 179.01 180.44 3ias h GLU 37 N -0.31 0.57 -0.53 1.06 4.39 -0.88 0.99 114.58 119.88 3ias h GLU 37 Ca -0.02 -0.03 -0.10 0.00 0.34 0.00 0.00 59.36 59.54 3ias h GLU 37 Cb 0.24 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.74 3ias h GLU 37 CO 0.04 0.38 -0.08 1.98 -1.16 0.00 0.00 179.01 180.17 3ias h MET 38 N 0.59 0.97 -0.23 2.33 4.05 -0.72 -2.35 114.93 119.56 3ias h MET 38 Ca 0.58 -0.33 0.06 0.00 -0.28 0.00 0.00 59.70 59.72 3ias h MET 38 Cb 1.01 -0.07 -0.06 0.00 -0.80 0.00 0.00 31.60 31.68 3ias h MET 38 CO -0.45 1.00 -0.13 0.00 0.23 0.00 0.00 176.91 177.57 3ias h ALA 39 N 1.03 0.06 -1.07 0.39 0.00 -0.72 0.77 119.26 119.71 3ias h ALA 39 Ca 0.14 0.09 0.32 0.00 0.00 0.00 0.00 54.91 55.46 3ias h ALA 39 Cb 0.62 0.30 -0.13 0.00 0.00 0.00 0.00 17.79 18.59 3ias h ALA 39 CO 0.04 -0.54 0.65 1.25 0.00 0.00 0.00 179.25 180.65 3ias h HIS 40 N -0.11 0.79 0.64 0.00 6.17 -1.04 -1.26 115.15 120.34 3ias h HIS 40 Ca 0.13 0.03 -0.03 0.00 0.71 0.00 0.00 60.37 61.21 3ias h HIS 40 Cb 0.30 -0.22 0.01 0.00 2.52 0.00 0.00 27.41 30.02 3ias h HIS 40 CO -0.30 -0.08 -0.31 1.88 0.71 0.00 0.00 177.93 179.83 3ias h TYR 41 N 0.33 -0.80 -0.39 5.26 -1.99 -0.33 -1.72 116.97 117.34 3ias h TYR 41 Ca 0.70 -0.02 0.07 0.00 2.00 0.00 0.00 58.73 61.48 3ias h TYR 41 Cb 1.74 0.26 -0.06 0.00 2.00 0.00 0.00 36.73 40.67 3ias h TYR 41 CO -0.01 -0.49 0.02 -0.22 -0.00 0.00 0.00 178.16 177.47 3ias h LYS 42 N -0.88 0.13 -1.01 4.88 3.64 -1.02 0.35 116.57 122.66 3ias h LYS 42 Ca -0.09 -0.01 0.29 0.00 -1.27 0.00 0.00 60.65 59.58 3ias h LYS 42 Cb 0.66 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.42 3ias h LYS 42 CO 0.14 0.08 0.79 0.00 -2.27 0.00 0.00 179.45 178.20 3ias h ALA 43 N 1.32 2.91 0.00 5.00 0.00 -1.08 0.31 119.26 127.73 3ias h ALA 43 Ca 0.19 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3ias h ALA 43 Cb 0.26 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3ias h ALA 43 CO -0.30 -1.31 0.00 -0.12 0.00 0.00 0.00 179.25 177.52 3ias n MET 44 N -4.03 0.17 0.00 0.00 0.00 0.12 -4.83 117.12 108.56 3ias n MET 44 Ca 0.21 0.04 0.00 0.00 -0.00 0.00 0.00 57.70 57.96 3ias n MET 44 Cb 1.13 -1.50 0.00 0.00 0.00 0.00 0.00 33.22 32.85 3ias n MET 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3ias n GLY 45 N 1.10 1.30 3.55 -5.12 0.00 0.11 -5.05 105.19 101.08 3ias n GLY 45 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 3ias n GLY 45 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ias s PHE 46 N -1.92 2.72 0.00 1.61 2.99 -0.97 -4.55 117.98 117.85 3ias s PHE 46 Ca 0.00 -1.22 0.00 0.00 0.00 0.00 0.00 56.93 55.71 3ias s PHE 46 Cb 0.00 -4.66 0.00 0.00 0.00 0.00 0.00 43.02 38.36 3ias s PHE 46 CO 0.00 -1.83 0.81 0.09 -0.00 0.00 0.00 175.22 174.29 3ias n ASN 47 N 8.34 0.00 -4.41 1.36 3.02 -0.15 -4.56 115.26 118.87 3ias n ASN 47 Ca 0.38 0.81 -0.36 0.00 -0.03 0.00 0.00 54.58 55.37 3ias n ASN 47 Cb 0.49 -0.31 -0.13 0.00 -0.61 0.00 0.00 39.78 39.22 3ias n ASN 47 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3ias s PHE 48 N -2.23 3.05 -0.81 3.10 5.36 -0.61 -4.92 117.98 120.92 3ias s PHE 48 Ca 0.00 -0.58 -0.20 0.00 -0.96 0.00 0.00 56.93 55.19 3ias s PHE 48 Cb 0.00 -2.20 0.11 0.00 -0.34 0.00 0.00 43.02 40.59 3ias s PHE 48 CO 0.00 -0.42 1.03 -1.17 -1.46 0.00 0.00 175.22 173.20 3ias s LEU 49 N 1.57 4.90 0.00 6.12 2.96 -1.26 -1.65 118.68 131.32 3ias s LEU 49 Ca 0.06 -1.66 0.00 0.00 -0.22 0.00 0.00 54.13 52.31 3ias s LEU 49 Cb -0.15 -2.39 0.00 0.00 0.50 0.00 0.00 46.19 44.15 3ias s LEU 49 CO 0.02 -1.18 0.37 0.00 -1.32 0.00 0.00 176.35 174.23 3ias n ALA 50 N 6.86 0.00 -2.53 5.97 0.00 -0.65 -4.83 120.51 125.33 3ias n ALA 50 Ca 0.12 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.32 3ias n ALA 50 Cb 0.47 0.01 -0.09 0.00 0.00 0.00 0.00 19.45 19.84 3ias n ALA 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3ias s ASP 51 N -2.04 3.91 -0.04 0.00 1.11 -1.26 -4.98 116.67 113.36 3ias s ASP 51 Ca 0.00 -0.96 -0.04 0.00 0.18 0.00 0.00 52.55 51.74 3ias s ASP 51 Cb 0.00 -0.46 0.02 0.00 1.07 0.00 0.00 42.92 43.54 3ias s ASP 51 CO 0.00 -0.04 0.11 -0.51 1.18 0.00 0.00 175.17 175.92 3ias s ILE 52 N -2.48 -0.01 -0.13 0.77 2.07 -1.26 -1.76 121.20 118.40 3ias s ILE 52 Ca 0.31 0.03 -0.05 0.00 -1.41 0.00 0.00 60.65 59.53 3ias s ILE 52 Cb -0.04 -0.17 0.06 0.00 0.13 0.00 0.00 42.46 42.44 3ias s ILE 52 CO 0.17 0.01 0.28 0.54 -1.91 0.00 0.00 174.94 174.03 3ias s VAL 53 N 0.23 -0.27 0.24 4.00 0.11 -0.92 -4.95 120.40 118.84 3ias s VAL 53 Ca -0.01 0.22 -0.15 0.00 -2.93 0.00 0.00 61.98 59.10 3ias s VAL 53 Cb -0.02 -0.44 -0.08 0.00 -1.53 0.00 0.00 36.38 34.30 3ias s VAL 53 CO -0.01 0.09 0.66 -0.83 -3.33 0.00 0.00 175.10 171.68 3ias s GLY 54 N 1.95 2.43 0.01 6.54 0.00 -1.26 -1.85 107.32 115.13 3ias s GLY 54 Ca -0.03 -0.01 0.04 0.00 0.00 0.00 0.00 44.72 44.72 3ias s GLY 54 CO -0.09 0.24 -0.14 1.08 0.00 0.00 0.00 173.10 174.19 3ias s LEU 55 N -2.46 2.08 -0.25 0.66 1.02 0.19 -4.99 118.68 114.93 3ias s LEU 55 Ca 0.46 -0.32 0.03 0.00 0.02 0.00 0.00 54.13 54.32 3ias s LEU 55 Cb -0.13 -0.66 0.05 0.00 0.02 0.00 0.00 46.19 45.47 3ias s LEU 55 CO 0.19 0.12 -0.12 -0.62 0.02 0.00 0.00 176.35 175.95 3ias s ASP 56 N -0.62 4.31 -0.13 2.29 2.15 -1.26 -1.70 116.67 121.71 3ias s ASP 56 Ca 0.04 -1.30 0.07 0.00 0.43 0.00 0.00 52.55 51.79 3ias s ASP 56 Cb -0.06 -1.55 0.41 0.00 -0.30 0.00 0.00 42.92 41.41 3ias s ASP 56 CO 0.00 -0.17 1.15 -1.22 -0.17 0.00 0.00 175.17 174.76 3ias n TYR 57 N 4.46 1.08 -0.27 -5.34 4.01 -0.78 -4.50 117.16 115.83 3ias n TYR 57 Ca -0.15 -0.42 -0.05 0.00 -0.16 0.00 0.00 57.90 57.12 3ias n TYR 57 Cb 0.43 -0.33 0.06 0.00 -0.31 0.00 0.00 39.34 39.19 3ias n TYR 57 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 3ias h LEU 58 N 1.93 0.86 -3.34 7.72 5.85 -1.95 -2.78 115.31 123.60 3ias h LEU 58 Ca 0.02 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.71 3ias h LEU 58 Cb 1.29 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 42.11 3ias h LEU 58 CO 0.27 0.64 0.00 0.41 -0.34 0.00 0.00 178.44 179.42 3ias n THR 59 N -4.55 2.27 -2.81 1.05 -1.04 -1.26 -4.95 114.28 102.98 3ias n THR 59 Ca 0.07 -1.30 -0.40 0.00 -2.04 0.00 0.00 64.05 60.38 3ias n THR 59 Cb 0.03 -0.05 -0.05 0.00 -1.82 0.00 0.00 70.33 68.43 3ias n THR 59 CO 0.00 0.00 0.00 -0.47 -0.64 0.00 0.00 175.07 173.96 3ias s TYR 60 N -2.27 3.87 0.00 -1.42 5.04 -1.05 -4.65 117.35 116.87 3ias s TYR 60 Ca 0.53 1.77 0.00 0.00 -2.44 0.00 0.00 57.07 56.93 3ias s TYR 60 Cb 0.37 -2.96 0.00 0.00 0.35 0.00 0.00 41.96 39.72 3ias s TYR 60 CO 0.21 0.34 0.93 -0.35 -1.34 0.00 0.00 175.55 175.33 3ias n PRO 61 N 2.24 0.00 -2.25 4.97 -0.04 -1.26 -4.56 135.00 134.09 3ias n PRO 61 Ca -0.01 0.55 -0.42 0.00 -0.04 0.00 0.00 63.50 63.58 3ias n PRO 61 Cb 0.49 -1.43 -0.03 0.00 -0.04 0.00 0.00 33.50 32.49 3ias n PRO 61 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3ias s ASP 62 N -2.25 6.87 0.81 3.54 1.01 -1.26 -4.98 116.67 120.41 3ias s ASP 62 Ca 0.00 2.04 -0.15 0.00 0.71 0.00 0.00 52.55 55.16 3ias s ASP 62 Cb 0.00 -2.56 0.01 0.00 1.01 0.00 0.00 42.92 41.38 3ias s ASP 62 CO 0.00 -0.72 0.64 -0.81 0.21 0.00 0.00 175.17 174.49 3ias n PRO 63 N 5.60 0.11 -4.13 8.23 -0.04 -1.26 -5.05 135.00 138.46 3ias n PRO 63 Ca 0.13 0.09 -0.13 0.00 -0.04 0.00 0.00 63.50 63.56 3ias n PRO 63 Cb 0.44 -1.98 -0.11 0.00 -0.04 0.00 0.00 33.50 31.82 3ias n PRO 63 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3ias s ARG 64 N -3.32 0.71 0.00 0.54 1.81 -1.26 -5.10 118.95 112.33 3ias s ARG 64 Ca 0.65 -1.06 0.00 0.00 -1.72 0.00 0.00 55.73 53.60 3ias s ARG 64 Cb -0.29 -0.32 0.00 0.00 -0.45 0.00 0.00 34.95 33.88 3ias s ARG 64 CO 0.59 0.04 0.67 -2.30 -0.68 0.00 0.00 175.30 173.62 3ias n PRO 65 N 0.72 0.00 -4.34 3.54 -0.02 -1.26 -4.66 135.00 128.98 3ias n PRO 65 Ca -0.17 0.67 -0.20 0.00 -2.02 0.00 0.00 63.50 61.78 3ias n PRO 65 Cb 0.57 -1.06 -0.10 0.00 -0.02 0.00 0.00 33.50 32.89 3ias n PRO 65 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3ias s GLU 66 N -2.48 1.31 0.01 -0.52 8.01 -1.26 -5.07 118.70 118.70 3ias s GLU 66 Ca 0.00 -1.51 -0.04 0.00 0.01 0.00 0.00 54.97 53.43 3ias s GLU 66 Cb 0.00 -1.21 -0.02 0.00 -4.31 0.00 0.00 34.13 28.59 3ias s GLU 66 CO 0.00 0.22 1.07 -0.09 0.01 0.00 0.00 175.26 176.47 3ias h ARG 67 N 2.85 -0.09 -7.24 1.61 2.43 -1.83 -3.44 114.38 108.67 3ias h ARG 67 Ca -0.40 0.01 -0.48 0.00 -0.81 0.00 0.00 59.98 58.29 3ias h ARG 67 Cb 1.22 0.02 0.06 0.00 -0.42 0.00 0.00 29.97 30.85 3ias h ARG 67 CO 0.57 -0.06 0.27 -0.06 -1.51 0.00 0.00 179.97 179.18 3ias s PHE 68 N -3.33 3.32 -0.25 2.20 0.40 -1.19 -1.86 117.98 117.27 3ias s PHE 68 Ca -0.02 0.83 -0.26 0.00 -0.60 0.00 0.00 56.93 56.89 3ias s PHE 68 Cb 0.01 -2.82 0.08 0.00 0.51 0.00 0.00 43.02 40.80 3ias s PHE 68 CO 0.07 -0.90 0.80 0.00 0.70 0.00 0.00 175.22 175.88 3ias s ALA 69 N -3.11 -1.83 -0.07 5.36 0.00 -0.69 -1.02 121.76 120.41 3ias s ALA 69 Ca 0.55 1.91 0.06 0.00 0.00 0.00 0.00 51.96 54.48 3ias s ALA 69 Cb -0.11 -1.11 -0.01 0.00 0.00 0.00 0.00 23.12 21.89 3ias s ALA 69 CO 0.48 -0.32 -0.24 0.08 0.00 0.00 0.00 175.76 175.76 3ias s VAL 70 N 0.15 2.03 0.01 0.00 1.01 -0.93 -0.63 120.40 122.03 3ias s VAL 70 Ca -0.00 -1.04 0.02 0.00 0.00 0.00 0.00 61.98 60.96 3ias s VAL 70 Cb -0.04 -1.72 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 3ias s VAL 70 CO 0.00 0.56 0.00 -0.69 0.00 0.00 0.00 175.10 174.97 3ias s VAL 71 N -0.03 4.14 0.24 2.92 1.01 -0.77 -2.41 120.40 125.50 3ias s VAL 71 Ca -0.07 -0.65 0.07 0.00 0.00 0.00 0.00 61.98 61.33 3ias s VAL 71 Cb -0.15 -2.86 -0.05 0.00 0.00 0.00 0.00 36.38 33.32 3ias s VAL 71 CO 0.05 0.35 -0.11 -0.31 0.00 0.00 0.00 175.10 175.08 3ias s TYR 72 N -1.11 1.86 -0.38 5.22 1.51 -0.53 -2.16 117.35 121.76 3ias s TYR 72 Ca 0.20 -0.62 0.01 0.00 -1.01 0.00 0.00 57.07 55.65 3ias s TYR 72 Cb -0.12 -0.96 0.13 0.00 -0.11 0.00 0.00 41.96 40.91 3ias s TYR 72 CO 0.11 0.34 0.20 -2.00 -1.11 0.00 0.00 175.55 173.10 3ias s GLU 73 N -3.68 0.87 0.14 -0.62 2.12 -0.73 -1.54 118.70 115.27 3ias s GLU 73 Ca 0.26 -1.54 -0.19 0.00 0.36 0.00 0.00 54.97 53.86 3ias s GLU 73 Cb 0.01 -1.83 -0.07 0.00 0.26 0.00 0.00 34.13 32.50 3ias s GLU 73 CO 0.10 -1.15 0.64 -0.51 -0.54 0.00 0.00 175.26 173.80 3ias s LEU 74 N 0.90 4.44 0.08 2.70 1.43 -0.97 -1.63 118.68 125.63 3ias s LEU 74 Ca 0.16 1.32 -0.09 0.00 -1.03 0.00 0.00 54.13 54.49 3ias s LEU 74 Cb -0.23 -3.22 0.00 0.00 0.03 0.00 0.00 46.19 42.77 3ias s LEU 74 CO -0.05 0.16 0.20 -0.69 0.23 0.00 0.00 176.35 176.20 3ias s VAL 75 N -1.31 0.13 -0.41 -1.59 1.01 -0.66 -2.62 120.40 114.94 3ias s VAL 75 Ca 0.36 -1.10 0.01 0.00 0.00 0.00 0.00 61.98 61.25 3ias s VAL 75 Cb -0.18 -1.25 0.11 0.00 0.00 0.00 0.00 36.38 35.06 3ias s VAL 75 CO 0.21 -0.61 0.16 -0.44 0.00 0.00 0.00 175.10 174.42 3ias s SER 76 N -2.71 4.89 0.05 3.32 0.01 -1.22 -0.98 113.70 117.06 3ias s SER 76 Ca 0.03 -2.32 -0.34 0.00 1.31 0.00 0.00 55.95 54.63 3ias s SER 76 Cb 0.04 -1.71 -0.13 0.00 0.21 0.00 0.00 66.02 64.42 3ias s SER 76 CO -0.10 -0.41 1.69 0.18 0.41 0.00 0.00 173.24 175.02 3ias n LEU 77 N 4.11 3.15 0.00 2.44 4.77 -1.26 -3.07 117.00 127.13 3ias n LEU 77 Ca 0.03 1.04 0.11 0.00 -0.03 0.00 0.00 56.01 57.16 3ias n LEU 77 Cb 0.40 -1.39 0.58 0.00 -2.33 0.00 0.00 43.42 40.68 3ias n LEU 77 CO 0.28 -0.24 0.87 -2.65 -1.33 0.00 0.00 177.39 174.33 3ias n PRO 78 N 4.69 0.33 0.00 3.23 -0.02 -1.26 -2.84 135.00 139.12 3ias n PRO 78 Ca 0.19 0.07 0.13 0.00 -2.02 0.00 0.00 63.50 61.87 3ias n PRO 78 Cb 0.28 -1.50 0.35 0.00 -0.02 0.00 0.00 33.50 32.61 3ias n PRO 78 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ias n GLY 79 N 0.68 0.38 0.00 -1.23 0.00 -1.26 -4.77 105.19 98.99 3ias n GLY 79 Ca 0.11 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.59 3ias n GLY 79 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 3ias n TRP 80 N 0.62 0.00 0.04 1.61 -0.00 -1.13 -5.06 117.44 113.52 3ias n TRP 80 Ca 0.17 0.00 -0.03 0.00 -0.00 0.00 0.00 57.50 57.64 3ias n TRP 80 Cb 0.45 0.00 -0.01 0.00 -0.00 0.00 0.00 31.31 31.75 3ias n TRP 80 CO 0.00 0.00 0.00 1.57 -0.00 0.00 0.00 177.69 179.26 3ias h LYS 81 N 0.00 -0.20 -1.96 5.87 2.10 -1.92 -3.40 116.57 117.06 3ias h LYS 81 Ca 0.00 0.01 -0.51 0.00 -2.00 0.00 0.00 60.65 58.15 3ias h LYS 81 Cb 0.00 0.04 -0.41 0.00 -0.90 0.00 0.00 32.23 30.97 3ias h LYS 81 CO 0.00 -0.13 -0.98 -0.40 -2.00 0.00 0.00 179.45 175.93 3ias n ASP 82 N -4.66 2.36 -4.72 7.07 5.75 -1.26 -5.08 116.55 116.01 3ias n ASP 82 Ca -0.03 -3.25 -0.38 0.00 -0.01 0.00 0.00 54.79 51.12 3ias n ASP 82 Cb 0.08 -0.58 -0.06 0.00 -1.03 0.00 0.00 41.12 39.53 3ias n ASP 82 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 3ias s GLY 83 N -2.92 2.43 -0.04 6.12 0.00 -1.26 -5.00 107.32 106.65 3ias s GLY 83 Ca 0.42 -0.15 -0.01 0.00 0.00 0.00 0.00 44.72 44.98 3ias s GLY 83 CO -0.09 0.81 -0.03 -0.55 0.00 0.00 0.00 173.10 173.24 3ias h ASP 84 N 6.67 0.00 0.00 1.64 5.19 -1.82 -3.40 116.42 124.71 3ias h ASP 84 Ca -0.41 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.00 3ias h ASP 84 Cb 1.18 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.69 3ias h ASP 84 CO 0.75 0.21 0.00 0.61 -3.12 0.00 0.00 179.24 177.69 3ias n GLY 85 N 1.83 -0.48 3.55 2.75 0.00 -1.17 -4.70 105.19 106.98 3ias n GLY 85 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 3ias n GLY 85 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ias s SER 86 N -0.03 5.65 0.14 1.61 1.04 -1.26 -4.84 113.70 116.00 3ias s SER 86 Ca 0.00 -0.34 0.03 0.00 0.48 0.00 0.00 55.95 56.13 3ias s SER 86 Cb 0.00 -2.55 -0.04 0.00 0.10 0.00 0.00 66.02 63.53 3ias s SER 86 CO 0.00 -2.19 0.19 -0.60 0.98 0.00 0.00 173.24 171.61 3ias s ARG 87 N 6.40 3.14 -0.09 4.02 3.52 -1.26 -3.41 118.95 131.27 3ias s ARG 87 Ca 0.56 -0.70 -0.32 0.00 -0.13 0.00 0.00 55.73 55.14 3ias s ARG 87 Cb -0.08 -2.81 0.12 0.00 -1.56 0.00 0.00 34.95 30.62 3ias s ARG 87 CO 0.10 0.52 1.14 -0.59 -0.81 0.00 0.00 175.30 175.67 3ias s PHE 88 N -1.67 -0.15 0.22 5.12 -0.71 -1.08 -4.91 117.98 114.80 3ias s PHE 88 Ca 0.32 0.06 0.06 0.00 -1.04 0.00 0.00 56.93 56.33 3ias s PHE 88 Cb -0.11 0.54 -0.04 0.00 -1.21 0.00 0.00 43.02 42.20 3ias s PHE 88 CO 0.25 -0.33 0.18 -0.06 -1.34 0.00 0.00 175.22 173.92 3ias s PHE 89 N -2.63 3.13 -0.01 3.49 0.40 -0.83 -2.28 117.98 119.26 3ias s PHE 89 Ca 0.10 -0.08 0.00 0.00 -0.60 0.00 0.00 56.93 56.35 3ias s PHE 89 Cb 0.00 -1.44 0.01 0.00 0.51 0.00 0.00 43.02 42.10 3ias s PHE 89 CO -0.05 0.52 0.00 0.54 0.70 0.00 0.00 175.22 176.93 3ias s VAL 90 N -2.00 0.04 0.25 -0.44 0.11 -0.59 -2.93 120.40 114.84 3ias s VAL 90 Ca 0.32 0.03 0.12 0.00 -2.93 0.00 0.00 61.98 59.52 3ias s VAL 90 Cb -0.09 -0.07 -0.05 0.00 -1.53 0.00 0.00 36.38 34.64 3ias s VAL 90 CO 0.24 0.04 -0.20 -0.60 -3.33 0.00 0.00 175.10 171.25 3ias s ARG 91 N 0.27 1.66 -0.26 1.54 3.52 -1.12 -1.45 118.95 123.11 3ias s ARG 91 Ca -0.02 -1.66 -0.03 0.00 -0.13 0.00 0.00 55.73 53.88 3ias s ARG 91 Cb -0.04 -1.82 0.14 0.00 -1.56 0.00 0.00 34.95 31.67 3ias s ARG 91 CO -0.01 0.36 0.47 0.14 -0.81 0.00 0.00 175.30 175.45 3ias s VAL 92 N -2.19 -0.76 -0.33 7.11 -7.23 -1.01 -1.41 120.40 114.58 3ias s VAL 92 Ca 0.27 -0.00 -0.29 0.00 -1.81 0.00 0.00 61.98 60.14 3ias s VAL 92 Cb -0.06 -0.86 0.01 0.00 0.56 0.00 0.00 36.38 36.03 3ias s VAL 92 CO 0.13 -0.04 1.14 -0.31 -0.31 0.00 0.00 175.10 175.71 3ias s TYR 93 N 2.68 2.99 -0.36 2.82 1.51 -1.26 -2.18 117.35 123.55 3ias s TYR 93 Ca 0.11 1.06 -0.12 0.00 -1.01 0.00 0.00 57.07 57.12 3ias s TYR 93 Cb -0.14 -3.83 0.01 0.00 -0.11 0.00 0.00 41.96 37.89 3ias s TYR 93 CO -0.17 -1.07 0.21 0.08 -1.11 0.00 0.00 175.55 173.49 3ias s VAL 94 N 3.92 4.80 0.10 0.71 1.01 -0.19 -4.80 120.40 125.96 3ias s VAL 94 Ca 0.49 -0.61 -0.27 0.00 0.00 0.00 0.00 61.98 61.58 3ias s VAL 94 Cb -0.13 -3.59 -0.15 0.00 0.00 0.00 0.00 36.38 32.51 3ias s VAL 94 CO 0.19 -0.13 0.61 -2.65 0.00 0.00 0.00 175.10 173.12 3ias n PRO 95 N 5.04 0.00 0.31 2.72 -0.02 -1.26 -3.18 135.00 138.61 3ias n PRO 95 Ca -0.12 0.00 0.19 0.00 -2.02 0.00 0.00 63.50 61.55 3ias n PRO 95 Cb 0.48 -0.99 1.03 0.00 -0.02 0.00 0.00 33.50 33.99 3ias n PRO 95 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3ias h GLU 96 N 1.46 0.00 0.00 -0.52 4.81 -1.93 -2.43 114.58 115.98 3ias h GLU 96 Ca -0.31 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.92 3ias h GLU 96 Cb 1.20 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.58 3ias h GLU 96 CO 0.50 0.02 -1.24 -1.91 -0.73 0.00 0.00 179.01 175.65 3ias n GLU 97 N -3.37 1.22 -3.61 1.92 2.13 -1.26 -4.68 120.64 112.98 3ias n GLU 97 Ca -0.03 -0.08 -0.27 0.00 0.66 0.00 0.00 57.16 57.45 3ias n GLU 97 Cb 0.12 -1.29 -0.10 0.00 0.27 0.00 0.00 31.44 30.44 3ias n GLU 97 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 3ias n ASP 98 N -1.72 3.08 0.00 4.31 2.03 -0.91 -4.93 116.55 118.40 3ias n ASP 98 Ca -0.00 -3.26 0.00 0.00 0.52 0.00 0.00 54.79 52.05 3ias n ASP 98 Cb 0.32 -0.70 0.00 0.00 -0.72 0.00 0.00 41.12 40.02 3ias n ASP 98 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 3ias n PRO 99 N 1.44 0.16 -1.55 -0.67 -0.04 -1.24 -4.23 135.00 128.86 3ias n PRO 99 Ca 0.25 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.39 3ias n PRO 99 Cb 0.39 -1.00 0.06 0.00 -0.04 0.00 0.00 33.50 32.91 3ias n PRO 99 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3ias s ARG 100 N -2.00 2.66 0.00 0.54 0.52 -1.26 -1.21 118.95 118.20 3ias s ARG 100 Ca 0.00 1.20 0.00 0.00 -0.52 0.00 0.00 55.73 56.41 3ias s ARG 100 Cb 0.00 -1.94 0.00 0.00 0.52 0.00 0.00 34.95 33.53 3ias s ARG 100 CO 0.00 -1.34 0.00 -0.11 0.02 0.00 0.00 175.30 173.87 3ias n LEU 101 N -2.96 0.00 -4.75 2.53 7.94 -1.22 -4.89 117.00 113.64 3ias n LEU 101 Ca 0.09 0.00 -0.41 0.00 -1.11 0.00 0.00 56.01 54.58 3ias n LEU 101 Cb 0.53 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.45 3ias n LEU 101 CO 0.51 0.00 0.96 -2.16 -1.11 0.00 0.00 177.39 175.60 3ias s PRO 102 N -0.41 4.40 1.05 1.96 0.04 -1.26 -0.49 135.00 140.29 3ias s PRO 102 Ca 0.00 2.10 -0.13 0.00 0.04 0.00 0.00 61.00 63.02 3ias s PRO 102 Cb 0.00 -3.13 0.22 0.00 0.04 0.00 0.00 34.50 31.62 3ias s PRO 102 CO 0.00 -0.17 1.08 0.95 0.04 0.00 0.00 177.00 178.90 3ias s THR 103 N -0.62 1.99 0.00 1.26 -4.23 -1.14 -4.78 115.64 108.12 3ias s THR 103 Ca 0.52 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 61.03 3ias s THR 103 Cb -0.38 -2.40 0.00 0.00 1.34 0.00 0.00 72.50 71.06 3ias s THR 103 CO 0.45 0.00 0.77 0.52 -0.54 0.00 0.00 174.62 175.82 3ias n VAL 104 N -4.39 0.59 -0.25 2.29 0.31 -1.26 -4.67 118.33 110.95 3ias n VAL 104 Ca 0.05 -0.65 0.24 0.00 -0.01 0.00 0.00 64.34 63.97 3ias n VAL 104 Cb 0.57 0.76 0.59 0.00 -0.91 0.00 0.00 33.84 34.85 3ias n VAL 104 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 3ias h THR 105 N 0.77 0.58 -0.55 2.52 2.02 -1.89 -0.73 112.91 115.64 3ias h THR 105 Ca 0.00 -0.09 0.09 0.00 0.77 0.00 0.00 66.41 67.19 3ias h THR 105 Cb 0.56 0.31 -0.11 0.00 -1.74 0.00 0.00 68.15 67.17 3ias h THR 105 CO 0.00 0.05 -0.37 0.44 0.37 0.00 0.00 175.52 176.00 3ias h ASP 106 N 0.25 -1.28 0.14 4.18 3.32 -1.95 -3.24 116.42 117.84 3ias h ASP 106 Ca 0.50 0.23 -0.36 0.00 0.02 0.00 0.00 57.03 57.42 3ias h ASP 106 Cb 1.50 0.60 -0.06 0.00 0.22 0.00 0.00 39.33 41.60 3ias h ASP 106 CO -0.14 -0.32 -2.19 0.18 -1.72 0.00 0.00 179.24 175.05 3ias n LEU 107 N -5.42 1.41 -4.31 1.55 4.77 -0.67 -4.93 117.00 109.40 3ias n LEU 107 Ca 0.03 0.10 -0.31 0.00 -0.03 0.00 0.00 56.01 55.79 3ias n LEU 107 Cb 0.35 -0.21 -0.16 0.00 -2.33 0.00 0.00 43.42 41.07 3ias n LEU 107 CO 0.01 0.65 -0.56 0.26 -1.33 0.00 0.00 177.39 176.42 3ias s TRP 108 N -2.53 2.39 -1.17 -1.77 0.51 -0.37 -4.99 118.94 111.00 3ias s TRP 108 Ca -0.17 -0.53 0.25 0.00 -2.12 0.00 0.00 56.10 53.54 3ias s TRP 108 Cb 0.07 -1.55 0.58 0.00 -0.81 0.00 0.00 33.47 31.76 3ias s TRP 108 CO 0.76 -0.09 1.46 0.41 -0.51 0.00 0.00 176.95 178.98 3ias n GLY 109 N 2.62 -1.11 0.21 0.98 0.00 -1.26 -3.72 105.19 102.91 3ias n GLY 109 Ca -0.17 -0.36 -0.08 0.00 0.00 0.00 0.00 46.02 45.41 3ias n GLY 109 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3ias h SER 110 N 0.27 0.57 0.16 1.61 0.02 -1.93 -2.96 113.55 111.30 3ias h SER 110 Ca 0.00 -0.29 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 3ias h SER 110 Cb 0.50 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.88 3ias h SER 110 CO 0.00 0.98 0.00 0.00 -1.14 0.00 0.00 176.83 176.67 3ias n ALA 111 N -2.51 1.38 0.10 3.77 0.00 -1.25 -3.34 120.51 118.66 3ias n ALA 111 Ca -0.03 -0.03 -0.06 0.00 0.00 0.00 0.00 53.44 53.33 3ias n ALA 111 Cb 0.58 -1.10 -0.03 0.00 0.00 0.00 0.00 19.45 18.89 3ias n ALA 111 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 3ias h ASN 112 N 0.00 -0.44 -0.20 0.00 -1.24 -1.75 0.31 115.58 112.26 3ias h ASN 112 Ca 0.00 0.03 -0.03 0.00 0.71 0.00 0.00 56.30 57.01 3ias h ASN 112 Cb 0.08 0.14 -0.01 0.00 0.73 0.00 0.00 38.32 39.27 3ias h ASN 112 CO 0.00 -0.22 -0.00 -0.26 -1.29 0.00 0.00 177.43 175.66 3ias h PHE 113 N -0.33 0.38 -0.68 0.67 -1.00 -1.80 -3.08 116.94 111.09 3ias h PHE 113 Ca -0.02 -0.07 -0.01 0.00 2.81 0.00 0.00 57.97 60.69 3ias h PHE 113 Cb 0.28 -0.10 -0.03 0.00 3.61 0.00 0.00 35.95 39.71 3ias h PHE 113 CO -0.11 0.55 0.40 -0.07 -1.61 0.00 0.00 178.31 177.46 3ias h LEU 114 N 0.10 0.83 -1.24 1.54 3.38 -1.60 -0.58 115.31 117.74 3ias h LEU 114 Ca 0.05 -0.07 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 3ias h LEU 114 Cb 0.40 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3ias h LEU 114 CO 0.01 0.66 -0.35 -0.33 0.09 0.00 0.00 178.44 178.52 3ias h GLU 115 N 0.93 0.05 -0.34 1.13 5.08 -1.02 -2.47 114.58 117.93 3ias h GLU 115 Ca 0.24 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.55 3ias h GLU 115 Cb -0.01 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 3ias h GLU 115 CO -0.04 0.40 0.07 0.00 -1.00 0.00 0.00 179.01 178.44 3ias h ARG 116 N 0.05 0.55 0.03 2.33 3.08 -1.11 -1.75 114.38 117.56 3ias h ARG 116 Ca 0.00 -0.14 0.01 0.00 0.07 0.00 0.00 59.98 59.92 3ias h ARG 116 Cb 0.64 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.61 3ias h ARG 116 CO 0.05 0.62 -0.06 1.49 -1.07 0.00 0.00 179.97 180.99 3ias h GLU 117 N 0.40 -0.11 0.00 0.04 4.81 -0.95 0.18 114.58 118.94 3ias h GLU 117 Ca 0.11 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.34 3ias h GLU 117 Cb 0.32 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.72 3ias h GLU 117 CO 0.00 -0.08 -0.03 0.28 -0.73 0.00 0.00 179.01 178.46 3ias h VAL 118 N -0.12 0.19 0.17 0.32 2.07 -1.37 0.20 116.25 117.71 3ias h VAL 118 Ca 0.02 -0.25 -0.30 0.00 0.82 0.00 0.00 66.70 66.99 3ias h VAL 118 Cb 0.13 1.20 0.03 0.00 -1.52 0.00 0.00 31.29 31.13 3ias h VAL 118 CO -0.04 0.03 -1.26 0.22 0.02 0.00 0.00 177.57 176.53 3ias h TYR 119 N 0.00 0.95 0.22 1.57 3.20 -0.69 -3.15 116.97 119.07 3ias h TYR 119 Ca -0.00 -0.64 -0.01 0.00 3.14 0.00 0.00 58.73 61.22 3ias h TYR 119 Cb 0.20 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.41 3ias h TYR 119 CO 0.00 1.48 -0.11 0.22 -1.64 0.00 0.00 178.16 178.12 3ias h ASP 120 N 0.15 -0.25 0.05 -2.11 1.82 0.23 -3.35 116.42 112.96 3ias h ASP 120 Ca -0.21 -0.06 -0.07 0.00 -0.39 0.00 0.00 57.03 56.30 3ias h ASP 120 Cb 1.96 0.07 0.01 0.00 0.68 0.00 0.00 39.33 42.04 3ias h ASP 120 CO 0.24 -0.10 -0.32 -0.07 -1.61 0.00 0.00 179.24 177.38 3ias h LEU 121 N -0.40 0.19-10.11 2.28 3.38 -1.25 -3.40 115.31 106.00 3ias h LEU 121 Ca -0.03 -0.96 -0.47 0.00 0.09 0.00 0.00 57.88 56.50 3ias h LEU 121 Cb 0.30 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 3ias h LEU 121 CO 0.05 1.14 -0.44 -0.36 0.09 0.00 0.00 178.44 178.92 3ias s PHE 122 N -2.38 3.18 -1.87 1.13 0.40 -1.19 -1.89 117.98 115.37 3ias s PHE 122 Ca -0.17 -0.14 0.00 0.00 -0.60 0.00 0.00 56.93 56.02 3ias s PHE 122 Cb -0.01 -1.66 0.00 0.00 0.51 0.00 0.00 43.02 41.86 3ias s PHE 122 CO 0.75 0.32 0.66 0.41 0.70 0.00 0.00 175.22 178.05 3ias n GLY 123 N -1.39 -0.47 3.67 4.36 0.00 -1.26 -4.17 105.19 105.94 3ias n GLY 123 Ca -0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.54 3ias n GLY 123 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ias s ILE 124 N -1.87 4.10 0.62 -0.61 1.01 -1.26 -4.87 121.20 118.33 3ias s ILE 124 Ca 0.00 1.39 -0.10 0.00 0.00 0.00 0.00 60.65 61.94 3ias s ILE 124 Cb 0.00 -3.90 -0.03 0.00 0.01 0.00 0.00 42.46 38.55 3ias s ILE 124 CO 0.00 -0.06 1.01 -0.69 0.00 0.00 0.00 174.94 175.19 3ias s VAL 125 N 2.97 4.46 -0.20 2.92 1.01 -0.35 -3.95 120.40 127.25 3ias s VAL 125 Ca 0.59 0.68 -0.02 0.00 0.00 0.00 0.00 61.98 63.22 3ias s VAL 125 Cb -0.25 -3.78 0.06 0.00 0.00 0.00 0.00 36.38 32.41 3ias s VAL 125 CO 0.20 -0.98 0.03 -0.36 0.00 0.00 0.00 175.10 173.99 3ias s PHE 126 N -3.15 1.18 -0.51 5.22 0.40 -1.26 -3.43 117.98 116.44 3ias s PHE 126 Ca 0.55 -0.97 -0.28 0.00 -0.60 0.00 0.00 56.93 55.62 3ias s PHE 126 Cb -0.11 -1.10 -0.09 0.00 0.51 0.00 0.00 43.02 42.23 3ias s PHE 126 CO 0.52 -0.64 2.41 0.39 0.70 0.00 0.00 175.22 178.60 3ias n GLU 127 N 5.01 1.03 -0.94 0.44 -0.58 0.36 -2.52 120.64 123.44 3ias n GLU 127 Ca -0.09 0.10 0.00 0.00 -0.42 0.00 0.00 57.16 56.75 3ias n GLU 127 Cb 0.47 -3.04 0.00 0.00 -0.57 0.00 0.00 31.44 28.30 3ias n GLU 127 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3ias n GLY 128 N 6.11 1.23 3.72 0.62 0.00 -1.26 -2.89 105.19 112.72 3ias n GLY 128 Ca 0.41 -0.40 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 3ias n GLY 128 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3ias s HIS 129 N -2.04 3.64 0.17 1.61 5.04 -1.05 -4.89 115.29 117.77 3ias s HIS 129 Ca 0.00 1.47 -0.11 0.00 -1.54 0.00 0.00 55.06 54.88 3ias s HIS 129 Cb 0.00 -2.93 0.19 0.00 0.04 0.00 0.00 32.58 29.88 3ias s HIS 129 CO 0.00 0.09 1.08 -2.30 -2.34 0.00 0.00 174.74 171.26 3ias n PRO 130 N 3.63 -0.15 -3.36 2.88 -0.02 -1.26 -3.96 135.00 132.76 3ias n PRO 130 Ca 0.01 1.07 -0.10 0.00 -2.02 0.00 0.00 63.50 62.47 3ias n PRO 130 Cb 0.51 -1.59 -0.08 0.00 -0.02 0.00 0.00 33.50 32.32 3ias n PRO 130 CO 0.00 0.00 0.00 0.16 1.98 0.00 0.00 175.50 177.64 3ias s ASP 131 N -5.24 0.35 -1.28 2.55 -4.77 -1.26 -5.07 116.67 101.96 3ias s ASP 131 Ca -0.10 0.14 -0.18 0.00 -3.30 0.00 0.00 52.55 49.11 3ias s ASP 131 Cb 0.15 1.06 0.07 0.00 -1.09 0.00 0.00 42.92 43.11 3ias s ASP 131 CO 0.50 -0.31 1.71 -0.76 0.70 0.00 0.00 175.17 177.02 3ias s LEU 132 N 2.53 3.84 -0.05 2.11 1.43 -1.25 -4.94 118.68 122.35 3ias s LEU 132 Ca 0.12 -2.39 0.05 0.00 -1.03 0.00 0.00 54.13 50.88 3ias s LEU 132 Cb -0.15 -2.58 -0.02 0.00 0.03 0.00 0.00 46.19 43.47 3ias s LEU 132 CO -0.17 -1.19 -0.20 -0.13 0.23 0.00 0.00 176.35 174.90 3ias s ARG 133 N 4.22 2.49 -0.28 1.70 0.52 -1.26 -5.08 118.95 121.27 3ias s ARG 133 Ca 0.53 -0.81 -0.39 0.00 -0.52 0.00 0.00 55.73 54.54 3ias s ARG 133 Cb 0.04 -2.26 -0.18 0.00 0.52 0.00 0.00 34.95 33.07 3ias s ARG 133 CO 0.07 0.51 1.24 1.17 0.02 0.00 0.00 175.30 178.30 3ias n LYS 134 N 2.61 0.00 -0.09 3.54 4.81 -1.26 -4.90 118.16 122.87 3ias n LYS 134 Ca -0.17 0.00 -0.23 0.00 -0.87 0.00 0.00 58.31 57.04 3ias n LYS 134 Cb 0.52 -1.32 -0.12 0.00 0.02 0.00 0.00 35.03 34.13 3ias n LYS 134 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 3ias n ILE 135 N 2.70 1.59 -0.07 3.15 5.41 -1.26 -4.84 119.36 126.04 3ias n ILE 135 Ca 0.24 -0.36 -0.09 0.00 1.00 0.00 0.00 62.75 63.53 3ias n ILE 135 Cb -0.01 -1.82 -0.07 0.00 -0.71 0.00 0.00 39.64 37.03 3ias n ILE 135 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 3ias n LEU 136 N -3.96 2.29 -4.72 1.39 4.77 -1.26 -5.00 117.00 110.51 3ias n LEU 136 Ca -0.40 -0.06 -0.39 0.00 -0.03 0.00 0.00 56.01 55.12 3ias n LEU 136 Cb 0.87 -0.33 -0.05 0.00 -2.33 0.00 0.00 43.42 41.59 3ias n LEU 136 CO 0.22 0.64 0.37 0.42 -1.33 0.00 0.00 177.39 177.72 3ias s THR 137 N -2.29 5.03 0.36 -5.08 -4.23 -1.26 -5.00 115.64 103.16 3ias s THR 137 Ca -0.17 1.40 -0.13 0.00 -1.18 0.00 0.00 61.69 61.61 3ias s THR 137 Cb 0.05 -4.02 -0.11 0.00 1.34 0.00 0.00 72.50 69.76 3ias s THR 137 CO 0.37 0.28 -0.07 -0.81 -0.54 0.00 0.00 174.62 173.85 3ias n PRO 138 N 3.61 0.00 -0.17 3.99 -0.04 -1.26 -4.78 135.00 136.36 3ias n PRO 138 Ca -0.02 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.41 3ias n PRO 138 Cb 0.51 -0.73 0.03 0.00 -0.04 0.00 0.00 33.50 33.28 3ias n PRO 138 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 3ias h GLU 139 N 0.02 -0.05 -0.75 0.54 4.57 -1.97 -2.14 114.58 114.80 3ias h GLU 139 Ca -0.30 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.89 3ias h GLU 139 Cb 1.05 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.66 3ias h GLU 139 CO 0.31 -0.04 0.00 -0.40 -1.18 0.00 0.00 179.01 177.70 3ias n ASP 140 N -5.40 2.27 -4.58 1.04 5.75 -1.26 -4.82 116.55 109.55 3ias n ASP 140 Ca 0.05 -2.24 -0.42 0.00 -0.01 0.00 0.00 54.79 52.17 3ias n ASP 140 Cb 0.30 -0.48 -0.02 0.00 -1.03 0.00 0.00 41.12 39.89 3ias n ASP 140 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 3ias s LEU 141 N -0.90 3.47 0.02 -2.12 2.96 -0.81 -4.98 118.68 116.32 3ias s LEU 141 Ca 0.17 0.33 -0.30 0.00 -0.22 0.00 0.00 54.13 54.11 3ias s LEU 141 Cb 0.12 -3.21 -0.04 0.00 0.50 0.00 0.00 46.19 43.56 3ias s LEU 141 CO 0.06 -1.56 1.06 -0.70 -1.32 0.00 0.00 176.35 173.89 3ias s GLU 142 N 5.16 4.51 0.53 1.98 2.12 -1.26 -4.83 118.70 126.92 3ias s GLU 142 Ca 0.51 1.55 0.00 0.00 0.36 0.00 0.00 54.97 57.38 3ias s GLU 142 Cb -0.10 -3.42 0.00 0.00 0.26 0.00 0.00 34.13 30.87 3ias s GLU 142 CO 0.27 -0.13 0.00 0.41 -0.54 0.00 0.00 175.26 175.27 3ias n GLY 143 N 3.02 -0.72 2.67 -1.50 0.00 -1.26 -4.92 105.19 102.47 3ias n GLY 143 Ca 0.07 -1.75 -0.23 0.00 0.00 0.00 0.00 46.02 44.12 3ias n GLY 143 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3ias s HIS 144 N 0.00 0.02 0.05 1.61 3.76 -1.26 -4.97 115.29 114.50 3ias s HIS 144 Ca 0.00 -0.04 -0.27 0.00 -0.15 0.00 0.00 55.06 54.61 3ias s HIS 144 Cb 0.00 -0.55 -0.17 0.00 1.11 0.00 0.00 32.58 32.97 3ias s HIS 144 CO 0.00 -0.49 1.50 -1.00 -0.85 0.00 0.00 174.74 173.90 3ias h PRO 145 N 8.39 -0.35 0.00 8.40 0.13 -1.67 -3.29 132.00 143.61 3ias h PRO 145 Ca -0.15 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.00 3ias h PRO 145 Cb 1.15 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.36 3ias h PRO 145 CO 0.26 -0.13 0.00 -0.11 -0.23 0.00 0.00 178.00 177.79 3ias n LEU 146 N -5.18 0.06 -4.80 1.56 -0.00 -0.79 -4.57 117.00 103.29 3ias n LEU 146 Ca -0.10 0.53 -0.38 0.00 -0.00 0.00 0.00 56.01 56.06 3ias n LEU 146 Cb 0.21 -0.54 -0.06 0.00 -0.00 0.00 0.00 43.42 43.04 3ias n LEU 146 CO 0.34 -0.55 0.40 0.00 -0.00 0.00 0.00 177.39 177.57 3ias s ARG 147 N -3.06 4.38 0.57 1.96 1.70 -1.24 -4.89 118.95 118.36 3ias s ARG 147 Ca -0.00 0.95 0.33 0.00 -0.47 0.00 0.00 55.73 56.54 3ias s ARG 147 Cb 0.01 -3.17 1.45 0.00 -0.57 0.00 0.00 34.95 32.66 3ias s ARG 147 CO 0.02 0.56 1.77 0.87 -1.08 0.00 0.00 175.30 177.44 3ias h LYS 148 N 4.20 0.00 -0.77 3.89 1.79 -1.86 0.14 116.57 123.96 3ias h LYS 148 Ca -0.48 0.00 -0.15 0.00 -2.18 0.00 0.00 60.65 57.84 3ias h LYS 148 Cb 1.21 0.00 -0.09 0.00 -1.58 0.00 0.00 32.23 31.77 3ias h LYS 148 CO 0.65 0.00 0.19 -0.40 -1.08 0.00 0.00 179.45 178.81 3ias n ASP 149 N -3.90 4.52 -4.17 0.86 5.75 -1.26 -4.79 116.55 113.55 3ias n ASP 149 Ca 0.20 -2.97 -0.36 0.00 -0.01 0.00 0.00 54.79 51.65 3ias n ASP 149 Cb 1.10 -0.70 -0.13 0.00 -1.03 0.00 0.00 41.12 40.36 3ias n ASP 149 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 3ias s TYR 150 N -2.57 3.36 -0.02 2.11 5.04 0.47 -5.07 117.35 120.67 3ias s TYR 150 Ca 0.46 -1.97 -0.40 0.00 -2.44 0.00 0.00 57.07 52.72 3ias s TYR 150 Cb 0.37 -2.44 -0.20 0.00 0.35 0.00 0.00 41.96 40.04 3ias s TYR 150 CO 0.12 -0.84 1.08 -2.30 -1.34 0.00 0.00 175.55 172.27 3ias n PRO 151 N 4.63 0.00 0.30 4.97 -0.02 -1.26 -4.80 135.00 138.82 3ias n PRO 151 Ca -0.10 0.00 0.20 0.00 -2.02 0.00 0.00 63.50 61.58 3ias n PRO 151 Cb 0.43 -1.49 1.04 0.00 -0.02 0.00 0.00 33.50 33.46 3ias n PRO 151 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3ias h LEU 152 N 3.06 0.00 -2.78 2.45 5.85 -1.95 -3.47 115.31 118.47 3ias h LEU 152 Ca -0.50 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.18 3ias h LEU 152 Cb 1.42 0.00 0.03 0.00 0.37 0.00 0.00 40.66 42.48 3ias h LEU 152 CO 0.66 0.00 -0.14 0.61 -0.34 0.00 0.00 178.44 179.22 3ias n GLY 153 N -0.91 -0.29 3.78 3.75 0.00 -1.26 -5.04 105.19 105.22 3ias n GLY 153 Ca -0.02 0.04 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 3ias n GLY 153 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ias s GLU 154 N -3.23 2.96 -0.09 1.61 2.02 -1.26 -5.10 118.70 115.61 3ias s GLU 154 Ca 0.08 -0.62 -0.03 0.00 0.02 0.00 0.00 54.97 54.42 3ias s GLU 154 Cb -0.01 -2.78 -0.04 0.00 0.10 0.00 0.00 34.13 31.41 3ias s GLU 154 CO 0.28 0.59 0.04 0.99 0.02 0.00 0.00 175.26 177.18 3ias s THR 155 N -1.33 4.63 0.35 3.63 2.01 -1.26 -5.05 115.64 118.63 3ias s THR 155 Ca 0.27 -0.15 -0.28 0.00 0.31 0.00 0.00 61.69 61.83 3ias s THR 155 Cb -0.12 -2.98 -0.11 0.00 0.01 0.00 0.00 72.50 69.30 3ias s THR 155 CO 0.20 0.59 1.46 -2.84 -0.69 0.00 0.00 174.62 173.34 3ias s PRO 156 N -1.00 4.16 0.42 4.92 0.02 -1.26 -4.77 135.00 137.49 3ias s PRO 156 Ca 0.15 2.50 -0.22 0.00 0.02 0.00 0.00 61.00 63.44 3ias s PRO 156 Cb -0.12 -3.00 -0.09 0.00 0.02 0.00 0.00 34.50 31.31 3ias s PRO 156 CO 0.04 -0.48 1.02 0.95 -0.33 0.00 0.00 177.00 178.19 3ias s THR 157 N -0.95 3.92 -0.04 0.99 -4.23 -1.05 -4.84 115.64 109.44 3ias s THR 157 Ca 0.53 1.34 0.00 0.00 -1.18 0.00 0.00 61.69 62.39 3ias s THR 157 Cb -0.45 -3.63 -0.03 0.00 1.34 0.00 0.00 72.50 69.73 3ias s THR 157 CO 0.59 -0.12 0.00 -0.76 -0.54 0.00 0.00 174.62 173.79 3ias s LEU 158 N -2.95 3.54 0.38 4.79 1.43 -1.26 -2.59 118.68 122.02 3ias s LEU 158 Ca 0.61 0.06 0.06 0.00 -1.03 0.00 0.00 54.13 53.82 3ias s LEU 158 Cb -0.17 -1.93 -0.02 0.00 0.03 0.00 0.00 46.19 44.09 3ias s LEU 158 CO 0.22 0.32 0.21 -0.36 0.23 0.00 0.00 176.35 176.97 3ias s PHE 159 N -1.00 1.78 0.00 0.29 0.40 -0.72 -5.04 117.98 113.70 3ias s PHE 159 Ca 0.17 -1.50 0.00 0.00 -0.60 0.00 0.00 56.93 55.00 3ias s PHE 159 Cb -0.11 -0.94 0.00 0.00 0.51 0.00 0.00 43.02 42.47 3ias s PHE 159 CO 0.07 -0.60 0.07 0.54 0.70 0.00 0.00 175.22 176.00 3ias n ARG 160 N -0.81 0.00 -1.66 0.44 1.74 -1.26 -4.00 116.66 111.12 3ias n ARG 160 Ca 0.00 0.04 -0.40 0.00 -0.77 0.00 0.00 57.85 56.72 3ias n ARG 160 Cb 0.63 -0.57 -0.01 0.00 -1.02 0.00 0.00 32.46 31.49 3ias n ARG 160 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3ias n GLU 161 N -0.11 3.66 -1.68 5.56 -0.58 -1.26 -4.42 120.64 121.81 3ias n GLU 161 Ca 0.00 -2.69 -0.19 0.00 -0.42 0.00 0.00 57.16 53.86 3ias n GLU 161 Cb 0.00 -2.90 -0.07 0.00 -0.57 0.00 0.00 31.44 27.90 3ias n GLU 161 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3ias n GLY 162 N 3.26 1.49 3.63 0.62 0.00 -1.26 -4.95 105.19 107.99 3ias n GLY 162 Ca 0.65 -0.10 -0.43 0.00 0.00 0.00 0.00 46.02 46.14 3ias n GLY 162 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ias s ARG 163 N -3.83 4.04 0.38 1.61 0.52 -1.26 -5.02 118.95 115.40 3ias s ARG 163 Ca 0.00 1.01 0.07 0.00 -0.52 0.00 0.00 55.73 56.29 3ias s ARG 163 Cb 0.00 -3.74 -0.07 0.00 0.52 0.00 0.00 34.95 31.65 3ias s ARG 163 CO 0.00 -0.91 0.00 1.52 0.02 0.00 0.00 175.30 175.93 3ias s TYR 164 N 3.64 2.39 -0.25 -0.53 -0.85 -1.26 -1.75 117.35 118.75 3ias s TYR 164 Ca 0.45 -0.69 -0.04 0.00 -0.52 0.00 0.00 57.07 56.27 3ias s TYR 164 Cb -0.12 -1.62 0.09 0.00 0.38 0.00 0.00 41.96 40.70 3ias s TYR 164 CO 0.16 0.39 0.16 0.42 -1.52 0.00 0.00 175.55 175.16 3ias s ILE 165 N -2.80 -0.16 -0.61 -3.49 1.01 -1.07 -4.98 121.20 109.10 3ias s ILE 165 Ca 0.35 -0.46 -0.28 0.00 0.00 0.00 0.00 60.65 60.25 3ias s ILE 165 Cb 0.08 -0.83 0.03 0.00 0.01 0.00 0.00 42.46 41.75 3ias s ILE 165 CO 0.17 -0.49 1.26 -0.63 0.00 0.00 0.00 174.94 175.25 3ias s ILE 166 N 2.18 3.90 0.26 2.92 1.01 -1.26 -2.53 121.20 127.69 3ias s ILE 166 Ca 0.07 0.75 -0.01 0.00 0.00 0.00 0.00 60.65 61.46 3ias s ILE 166 Cb -0.16 -4.71 0.25 0.00 0.01 0.00 0.00 42.46 37.86 3ias s ILE 166 CO -0.25 -1.42 1.70 -0.65 0.00 0.00 0.00 174.94 174.33 3ias h PRO 167 N 9.99 0.37 -0.99 2.79 0.11 -1.97 0.10 132.00 142.40 3ias h PRO 167 Ca -0.26 -0.02 0.26 0.00 0.11 0.00 0.00 66.00 66.09 3ias h PRO 167 Cb 1.06 -0.08 -0.06 0.00 0.11 0.00 0.00 31.00 32.03 3ias h PRO 167 CO 1.21 0.25 0.68 0.00 -0.21 0.00 0.00 178.00 179.92 3ias h ALA 168 N 1.64 2.54 -0.02 -0.75 0.00 -1.98 0.11 119.26 120.80 3ias h ALA 168 Ca 0.48 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.40 3ias h ALA 168 Cb 0.83 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.65 3ias h ALA 168 CO -0.49 -0.86 -0.48 0.39 0.00 0.00 0.00 179.25 177.81 3ias n GLU 169 N -4.43 1.20 -0.10 0.00 -0.58 -0.01 -4.36 120.64 112.36 3ias n GLU 169 Ca 0.22 -0.99 -0.13 0.00 -0.42 0.00 0.00 57.16 55.84 3ias n GLU 169 Cb 0.92 -1.48 -0.15 0.00 -0.57 0.00 0.00 31.44 30.16 3ias n GLU 169 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 3ias n PHE 170 N -0.03 0.13 -1.52 -0.32 7.35 0.25 -4.99 117.46 118.32 3ias n PHE 170 Ca 0.09 0.04 -0.49 0.00 -0.76 0.00 0.00 57.45 56.34 3ias n PHE 170 Cb 0.47 -1.02 -0.04 0.00 0.35 0.00 0.00 39.48 39.24 3ias n PHE 170 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 3ias n ARG 171 N -2.96 0.76 0.04 -4.13 1.74 -0.40 -4.86 116.66 106.84 3ias n ARG 171 Ca -0.36 0.27 0.11 0.00 -0.77 0.00 0.00 57.85 57.10 3ias n ARG 171 Cb 1.09 -1.60 -0.06 0.00 -1.02 0.00 0.00 32.46 30.88 3ias n ARG 171 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3ias n ALA 172 N 0.76 2.96 -1.70 7.54 0.00 -1.26 -4.96 120.51 123.84 3ias n ALA 172 Ca 0.15 -0.40 -0.34 0.00 0.00 0.00 0.00 53.44 52.85 3ias n ALA 172 Cb 0.25 -0.93 0.01 0.00 0.00 0.00 0.00 19.45 18.78 3ias n ALA 172 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ias s ALA 173 N -3.36 2.65 -0.14 0.00 0.00 -1.26 -5.03 121.76 114.63 3ias s ALA 173 Ca -0.02 0.71 -0.03 0.00 0.00 0.00 0.00 51.96 52.61 3ias s ALA 173 Cb 0.13 -3.33 -0.03 0.00 0.00 0.00 0.00 23.12 19.89 3ias s ALA 173 CO 0.84 -0.86 -0.02 -0.51 0.00 0.00 0.00 175.76 175.21 3ias s LEU 174 N -4.10 3.41 -1.28 0.00 1.43 -1.26 -5.03 118.68 111.86 3ias s LEU 174 Ca 0.70 -0.02 -0.05 0.00 -1.03 0.00 0.00 54.13 53.72 3ias s LEU 174 Cb -0.22 -1.81 0.15 0.00 0.03 0.00 0.00 46.19 44.34 3ias s LEU 174 CO 0.31 0.23 2.22 1.07 0.23 0.00 0.00 176.35 180.41 3ias n THR 175 N 3.11 5.21 0.00 5.49 5.66 -1.26 -4.91 114.28 127.58 3ias n THR 175 Ca -0.18 -4.57 0.00 0.00 -3.05 0.00 0.00 64.05 56.26 3ias n THR 175 Cb 0.53 -2.06 0.00 0.00 -1.55 0.00 0.00 70.33 67.25 3ias n THR 175 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3ias n GLY 176 N 1.67 -0.06 0.00 1.09 0.00 -1.26 -1.80 105.19 104.83 3ias n GLY 176 Ca 0.56 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.67 3ias n GLY 176 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3ias n LYS 177 N 0.00 0.20 -3.05 1.61 4.81 -1.26 -4.78 118.16 115.69 3ias n LYS 177 Ca 0.00 0.13 -0.40 0.00 -0.87 0.00 0.00 58.31 57.18 3ias n LYS 177 Cb 0.00 -1.50 -0.05 0.00 0.02 0.00 0.00 35.03 33.50 3ias n LYS 177 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 3ias s ASP 178 N -2.67 7.11 0.49 3.14 -1.08 -0.75 -4.97 116.67 117.95 3ias s ASP 178 Ca 0.15 1.33 0.24 0.00 -0.52 0.00 0.00 52.55 53.75 3ias s ASP 178 Cb 0.12 -2.43 1.26 0.00 -1.46 0.00 0.00 42.92 40.41 3ias s ASP 178 CO 0.29 0.01 2.00 1.55 0.52 0.00 0.00 175.17 179.54 3ias h PRO 179 N 5.87 0.00 0.00 4.34 0.13 -1.93 -3.44 132.00 136.97 3ias h PRO 179 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 3ias h PRO 179 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3ias h PRO 179 CO 0.71 0.17 0.00 0.41 -0.23 0.00 0.00 178.00 179.06 3ias n GLY 180 N -0.58 0.50 0.08 1.56 0.00 -1.26 -3.19 105.19 102.30 3ias n GLY 180 Ca -0.02 -2.13 0.12 0.00 0.00 0.00 0.00 46.02 43.99 3ias n GLY 180 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3ias h LEU 181 N 0.00 0.00 0.00 0.99 5.85 -1.95 -3.45 115.31 116.75 3ias h LEU 181 Ca 0.00 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.55 3ias h LEU 181 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 3ias h LEU 181 CO 0.00 0.08 0.00 0.35 -0.34 0.00 0.00 178.44 178.53 3ias n THR 182 N -2.25 0.00 -0.08 1.05 -2.24 -1.26 -4.98 114.28 104.53 3ias n THR 182 Ca 0.03 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.79 3ias n THR 182 Cb 0.46 -1.47 0.24 0.00 -2.10 0.00 0.00 70.33 67.47 3ias n THR 182 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 3ias h PHE 183 N -0.39 0.72 -2.60 4.78 0.05 -1.89 -3.47 116.94 114.14 3ias h PHE 183 Ca 0.00 -0.06 -0.03 0.00 3.82 0.00 0.00 57.97 61.70 3ias h PHE 183 Cb 0.00 -0.21 0.00 0.00 2.00 0.00 0.00 35.95 37.74 3ias h PHE 183 CO 0.00 0.62 0.14 2.48 -0.18 0.00 0.00 178.31 181.37 3ias n TYR 184 N -4.29 -1.73 -3.98 -0.55 0.18 -1.26 -4.88 117.16 100.66 3ias n TYR 184 Ca 0.03 -1.07 -0.11 0.00 1.88 0.00 0.00 57.90 58.63 3ias n TYR 184 Cb 0.22 0.51 -0.12 0.00 -0.38 0.00 0.00 39.34 39.57 3ias n TYR 184 CO 0.00 0.00 0.00 -1.59 -2.08 0.00 0.00 176.86 173.19 3ias s LYS 185 N -2.08 0.28 0.00 -3.48 -2.85 -1.19 -4.78 119.74 105.63 3ias s LYS 185 Ca 0.10 -0.45 0.00 0.00 -1.00 0.00 0.00 55.97 54.62 3ias s LYS 185 Cb -0.03 -0.02 0.00 0.00 -2.06 0.00 0.00 37.83 35.72 3ias s LYS 185 CO 0.07 -0.01 0.00 0.41 0.10 0.00 0.00 175.35 175.92 3ias n GLY 186 N 2.05 3.32 7.00 0.59 0.00 -1.26 -4.88 105.19 112.00 3ias n GLY 186 Ca -0.20 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.43 3ias n GLY 186 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ias n GLY 187 N 0.00 1.52 0.69 -0.02 0.00 -1.26 -2.81 105.19 103.31 3ias n GLY 187 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.54 3ias n GLY 187 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3ias n SER 188 N -2.06 1.23 -1.22 1.61 7.64 -1.26 -0.91 113.62 118.65 3ias n SER 188 Ca 0.00 -1.39 0.04 0.00 1.01 0.00 0.00 58.87 58.53 3ias n SER 188 Cb 0.00 -0.35 0.04 0.00 -1.01 0.00 0.00 64.21 62.90 3ias n SER 188 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 3ias n ARG 189 N 0.35 0.23 0.00 1.43 1.85 -1.12 -4.41 116.66 114.98 3ias n ARG 189 Ca 0.00 -2.04 0.06 0.00 -1.00 0.00 0.00 57.85 54.87 3ias n ARG 189 Cb 0.24 -0.31 0.02 0.00 -1.05 0.00 0.00 32.46 31.36 3ias n ARG 189 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 3ias n LYS 190 N 0.18 1.54 0.00 2.89 4.81 -0.09 -4.68 118.16 122.82 3ias n LYS 190 Ca 0.07 -0.89 0.00 0.00 -0.87 0.00 0.00 58.31 56.62 3ias n LYS 190 Cb 1.02 -1.19 0.00 0.00 0.02 0.00 0.00 35.03 34.88 3ias n LYS 190 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3ias n GLY 191 N 0.91 4.78 3.26 3.14 0.00 -1.25 -5.08 105.19 110.94 3ias n GLY 191 Ca 0.06 -0.80 -0.18 0.00 0.00 0.00 0.00 46.02 45.11 3ias n GLY 191 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3ias s TYR 192 N -0.95 1.45 -0.30 1.61 5.04 -1.26 -4.51 117.35 118.43 3ias s TYR 192 Ca 0.00 -0.57 -0.07 0.00 -2.44 0.00 0.00 57.07 53.99 3ias s TYR 192 Cb 0.00 -0.74 0.17 0.00 0.35 0.00 0.00 41.96 41.74 3ias s TYR 192 CO 0.00 0.17 0.72 0.50 -1.34 0.00 0.00 175.55 175.60 3ias s ARG 193 N -2.89 0.49 0.99 4.97 6.06 -1.26 -5.15 118.95 122.16 3ias s ARG 193 Ca 0.12 1.03 -0.14 0.00 -2.50 0.00 0.00 55.73 54.24 3ias s ARG 193 Cb -0.04 0.60 0.18 0.00 0.06 0.00 0.00 34.95 35.75 3ias s ARG 193 CO 0.03 -0.37 1.14 0.45 -2.50 0.00 0.00 175.30 174.05 3ias s SER 194 N 2.83 2.83 -0.41 -2.12 0.15 -1.26 -5.03 113.70 110.69 3ias s SER 194 Ca 0.07 0.89 0.03 0.00 0.70 0.00 0.00 55.95 57.64 3ias s SER 194 Cb -0.12 -1.38 0.11 0.00 -1.71 0.00 0.00 66.02 62.92 3ias s SER 194 CO -0.19 -2.97 0.14 -0.76 1.20 0.00 0.00 173.24 170.67 3ias s LEU 195 N -6.27 4.68 0.00 3.45 2.01 -1.26 -5.30 118.68 116.00 3ias s LEU 195 Ca 0.66 -2.44 0.00 0.00 0.01 0.00 0.00 54.13 52.36 3ias s LEU 195 Cb -0.14 -1.66 0.00 0.00 0.01 0.00 0.00 46.19 44.40 3ias s LEU 195 CO 0.55 -0.35 0.00 -2.67 1.01 0.00 0.00 176.35 174.89