#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ila s PHE 13 N 0.00 1.34 0.11 2.61 0.08 -1.26 -2.06 117.98 118.81 3ila s PHE 13 Ca 0.00 -0.30 -0.30 0.00 0.12 0.00 0.00 56.93 56.45 3ila s PHE 13 Cb 0.00 -0.83 -0.06 0.00 -0.57 0.00 0.00 43.02 41.56 3ila s PHE 13 CO 0.00 0.01 0.99 -0.51 -0.10 0.00 0.00 175.22 175.62 3ila s LEU 14 N -0.76 4.49 0.34 -0.37 1.43 -1.05 -4.83 118.68 117.92 3ila s LEU 14 Ca 0.04 1.84 0.04 0.00 -1.03 0.00 0.00 54.13 55.02 3ila s LEU 14 Cb -0.07 -3.59 -0.06 0.00 0.03 0.00 0.00 46.19 42.50 3ila s LEU 14 CO 0.00 -0.11 0.06 -0.13 0.23 0.00 0.00 176.35 176.41 3ila s ARG 15 N 0.03 1.68 0.73 1.70 1.81 -1.26 -0.45 118.95 123.21 3ila s ARG 15 Ca 0.48 -1.95 -0.13 0.00 -1.72 0.00 0.00 55.73 52.42 3ila s ARG 15 Cb -0.24 -0.85 0.04 0.00 -0.45 0.00 0.00 34.95 33.45 3ila s ARG 15 CO 0.30 -0.22 1.11 0.95 -0.68 0.00 0.00 175.30 176.77 3ila s THR 16 N -3.29 3.10 -1.02 0.02 -4.23 -0.83 -3.45 115.64 105.95 3ila s THR 16 Ca 0.35 0.43 0.00 0.00 -1.18 0.00 0.00 61.69 61.29 3ila s THR 16 Cb 0.08 -2.90 0.00 0.00 1.34 0.00 0.00 72.50 71.02 3ila s THR 16 CO 0.15 -0.39 0.00 0.47 -0.54 0.00 0.00 174.62 174.31 3ila n ASP 17 N -3.06 -4.98 -4.67 3.99 8.00 0.20 -4.30 116.55 111.73 3ila n ASP 17 Ca 0.10 0.24 -0.41 0.00 0.71 0.00 0.00 54.79 55.43 3ila n ASP 17 Cb 0.52 -3.33 -0.04 0.00 -0.02 0.00 0.00 41.12 38.25 3ila n ASP 17 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 3ila s ASP 18 N -2.53 6.95 -0.73 -2.24 1.11 -1.22 -4.82 116.67 113.19 3ila s ASP 18 Ca 0.00 1.16 -0.27 0.00 0.18 0.00 0.00 52.55 53.62 3ila s ASP 18 Cb 0.00 -2.45 0.03 0.00 1.07 0.00 0.00 42.92 41.57 3ila s ASP 18 CO 0.00 -0.36 1.30 -1.61 1.18 0.00 0.00 175.17 175.68 3ila s GLU 19 N 1.97 3.17 0.27 8.23 2.02 -1.26 -2.63 118.70 130.47 3ila s GLU 19 Ca 0.38 -0.20 0.11 0.00 0.02 0.00 0.00 54.97 55.28 3ila s GLU 19 Cb -0.17 -4.19 -0.05 0.00 0.10 0.00 0.00 34.13 29.83 3ila s GLU 19 CO 0.13 -2.17 -0.19 0.14 0.02 0.00 0.00 175.26 173.19 3ila s VAL 20 N 5.87 2.39 -0.11 2.63 -7.23 0.27 -4.42 120.40 119.80 3ila s VAL 20 Ca 0.36 -2.38 0.02 0.00 -1.81 0.00 0.00 61.98 58.18 3ila s VAL 20 Cb -0.08 -2.26 -0.01 0.00 0.56 0.00 0.00 36.38 34.58 3ila s VAL 20 CO 0.15 -0.42 -0.18 0.68 -0.31 0.00 0.00 175.10 175.03 3ila s VAL 21 N -2.54 2.62 -0.18 1.32 -7.23 0.64 -0.28 120.40 114.74 3ila s VAL 21 Ca 0.29 -0.82 -0.25 0.00 -1.81 0.00 0.00 61.98 59.39 3ila s VAL 21 Cb -0.05 -2.06 -0.02 0.00 0.56 0.00 0.00 36.38 34.82 3ila s VAL 21 CO 0.14 0.54 0.80 -0.76 -0.31 0.00 0.00 175.10 175.51 3ila s LEU 22 N 0.27 4.16 0.01 1.32 1.02 -1.26 -1.76 118.68 122.45 3ila s LEU 22 Ca -0.13 1.12 0.01 0.00 0.02 0.00 0.00 54.13 55.15 3ila s LEU 22 Cb -0.16 -3.18 -0.01 0.00 0.02 0.00 0.00 46.19 42.85 3ila s LEU 22 CO 0.07 -0.39 -0.05 -1.10 0.02 0.00 0.00 176.35 174.90 3ila s GLN 23 N 2.15 0.39 0.08 1.70 -0.21 0.31 -0.40 119.66 123.67 3ila s GLN 23 Ca 0.37 -0.39 0.05 0.00 0.02 0.00 0.00 55.36 55.40 3ila s GLN 23 Cb -0.16 -0.26 -0.03 0.00 1.00 0.00 0.00 33.01 33.56 3ila s GLN 23 CO 0.12 0.06 -0.13 0.00 -2.12 0.00 0.00 175.29 173.21 3ila s SER 25 N -1.86 7.15 -0.04 0.00 1.04 -1.26 -1.74 113.70 116.98 3ila s SER 25 Ca -0.01 1.38 -0.04 0.00 0.48 0.00 0.00 55.95 57.76 3ila s SER 25 Cb -0.09 -2.46 0.01 0.00 0.10 0.00 0.00 66.02 63.58 3ila s SER 25 CO 0.02 -0.08 0.12 0.00 0.98 0.00 0.00 173.24 174.28 3ila s ALA 26 N 0.43 -0.28 -0.30 5.32 0.00 -0.06 -4.98 121.76 121.89 3ila s ALA 26 Ca 0.40 0.34 -0.11 0.00 0.00 0.00 0.00 51.96 52.60 3ila s ALA 26 Cb -0.19 -0.20 -0.03 0.00 0.00 0.00 0.00 23.12 22.69 3ila s ALA 26 CO 0.22 -0.06 0.18 0.95 0.00 0.00 0.00 175.76 177.05 3ila s THR 27 N 0.13 5.02 -0.38 0.00 -4.23 -1.26 0.76 115.64 115.69 3ila s THR 27 Ca -0.01 -0.11 0.11 0.00 -1.18 0.00 0.00 61.69 60.51 3ila s THR 27 Cb -0.01 -3.48 0.35 0.00 1.34 0.00 0.00 72.50 70.70 3ila s THR 27 CO -0.00 0.15 0.78 1.33 -0.54 0.00 0.00 174.62 176.34 3ila n VAL 28 N 5.04 -0.11 -5.21 2.29 0.24 -1.26 -4.89 118.33 114.43 3ila n VAL 28 Ca -0.14 -4.17 -0.32 0.00 -2.04 0.00 0.00 64.34 57.67 3ila n VAL 28 Cb 0.51 -0.02 -0.17 0.00 -1.47 0.00 0.00 33.84 32.69 3ila n VAL 28 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 3ila s LYS 30 N -2.13 2.85 0.05 7.34 2.20 -1.26 -5.02 119.74 123.77 3ila s LYS 30 Ca 0.37 -0.87 0.05 0.00 -0.36 0.00 0.00 55.97 55.16 3ila s LYS 30 Cb 0.35 -2.23 -0.02 0.00 -1.51 0.00 0.00 37.83 34.42 3ila s LYS 30 CO -0.07 0.24 -0.13 -1.21 -0.36 0.00 0.00 175.35 173.81 3ila s GLU 31 N 0.19 0.84 -0.47 4.03 2.02 -1.26 -5.11 118.70 118.94 3ila s GLU 31 Ca -0.14 -0.83 -0.29 0.00 0.02 0.00 0.00 54.97 53.74 3ila s GLU 31 Cb -0.17 -0.83 0.02 0.00 0.10 0.00 0.00 34.13 33.26 3ila s GLU 31 CO 0.07 0.19 1.27 1.14 0.02 0.00 0.00 175.26 177.95 3ila s GLN 32 N -1.40 3.62 -0.09 1.61 1.03 -1.26 -4.39 119.66 118.77 3ila s GLN 32 Ca -0.01 0.67 -0.01 0.00 0.04 0.00 0.00 55.36 56.05 3ila s GLN 32 Cb -0.09 -3.98 -0.03 0.00 0.03 0.00 0.00 33.01 28.94 3ila s GLN 32 CO 0.02 -1.52 -0.02 -0.51 -2.54 0.00 0.00 175.29 170.71 3ila s LEU 33 N 5.00 3.41 -0.75 2.60 1.43 0.23 -4.95 118.68 125.65 3ila s LEU 33 Ca 0.53 0.05 -0.15 0.00 -1.03 0.00 0.00 54.13 53.53 3ila s LEU 33 Cb -0.10 -1.78 0.18 0.00 0.03 0.00 0.00 46.19 44.53 3ila s LEU 33 CO 0.31 0.34 0.74 -1.59 0.23 0.00 0.00 176.35 176.38 3ila s LYS 34 N -0.64 3.41 0.09 1.70 0.00 -1.26 -0.89 119.74 122.16 3ila s LYS 34 Ca 0.10 -2.11 -0.24 0.00 0.00 0.00 0.00 55.97 53.72 3ila s LYS 34 Cb -0.12 -4.43 -0.07 0.00 0.00 0.00 0.00 37.83 33.21 3ila s LYS 34 CO 0.02 -1.37 0.72 -0.51 0.00 0.00 0.00 175.35 174.20 3ila s LEU 35 N 0.98 4.52 0.01 2.77 1.43 -0.71 -3.28 118.68 124.40 3ila s LEU 35 Ca 0.15 1.47 0.08 0.00 -1.03 0.00 0.00 54.13 54.80 3ila s LEU 35 Cb -0.15 -3.16 -0.02 0.00 0.03 0.00 0.00 46.19 42.88 3ila s LEU 35 CO -0.05 0.15 -0.26 0.00 0.23 0.00 0.00 176.35 176.43 3ila s LEU 37 N -0.86 4.36 0.01 0.00 2.96 0.46 -0.90 118.68 124.72 3ila s LEU 37 Ca 0.10 2.83 -0.06 0.00 -0.22 0.00 0.00 54.13 56.79 3ila s LEU 37 Cb -0.10 -3.62 -0.01 0.00 0.50 0.00 0.00 46.19 42.97 3ila s LEU 37 CO 0.00 -0.89 0.10 0.00 -1.32 0.00 0.00 176.35 174.24 3ila s ALA 38 N 0.55 -0.18 -0.06 5.97 0.00 0.52 -4.42 121.76 124.13 3ila s ALA 38 Ca 0.67 -0.32 -0.24 0.00 0.00 0.00 0.00 51.96 52.08 3ila s ALA 38 Cb -0.47 0.15 0.05 0.00 0.00 0.00 0.00 23.12 22.86 3ila s ALA 38 CO 0.40 -0.23 0.54 0.00 0.00 0.00 0.00 175.76 176.47 3ila s ALA 39 N -1.70 -1.38 0.09 0.00 0.00 -0.70 -0.69 121.76 117.38 3ila s ALA 39 Ca -0.13 1.03 -0.01 0.00 0.00 0.00 0.00 51.96 52.86 3ila s ALA 39 Cb -0.06 -0.12 -0.04 0.00 0.00 0.00 0.00 23.12 22.89 3ila s ALA 39 CO -0.00 -0.32 0.25 -1.21 0.00 0.00 0.00 175.76 174.48 3ila s GLU 40 N -1.00 3.47 0.29 0.00 2.02 -1.26 -4.64 118.70 117.58 3ila s GLU 40 Ca -0.10 -0.39 0.02 0.00 0.02 0.00 0.00 54.97 54.52 3ila s GLU 40 Cb -0.02 -2.99 0.43 0.00 0.10 0.00 0.00 34.13 31.64 3ila s GLU 40 CO 0.07 0.57 1.75 0.78 0.02 0.00 0.00 175.26 178.45 3ila h GLY 41 N 2.94 0.59 -6.55 -1.39 0.00 -1.97 -3.39 103.07 93.30 3ila h GLY 41 Ca -0.45 -0.44 -0.61 0.00 0.00 0.00 0.00 47.33 45.83 3ila h GLY 41 CO 0.75 0.40 -0.59 1.97 0.00 0.00 0.00 176.54 179.07 3ila n PHE 42 N -4.17 3.42 0.00 5.60 1.16 -1.26 -5.02 117.46 117.20 3ila n PHE 42 Ca 0.00 -4.21 0.00 0.00 -1.87 0.00 0.00 57.45 51.37 3ila n PHE 42 Cb 0.36 -0.58 0.00 0.00 -1.61 0.00 0.00 39.48 37.65 3ila n PHE 42 CO 0.00 0.00 0.00 2.89 -1.87 0.00 0.00 176.76 177.78 3ila n ARG 45 N 1.31 0.00 -2.20 3.97 -4.01 -1.26 -5.23 116.66 109.24 3ila n ARG 45 Ca 0.26 0.00 -0.41 0.00 -1.04 0.00 0.00 57.85 56.65 3ila n ARG 45 Cb 0.39 0.00 -0.03 0.00 -3.04 0.00 0.00 32.46 29.78 3ila n ARG 45 CO 0.00 0.00 0.00 -1.17 -3.04 0.00 0.00 177.63 173.42 3ila s LEU 46 N 0.00 4.42 0.49 2.89 2.96 -1.26 -3.00 118.68 125.17 3ila s LEU 46 Ca 0.00 2.42 -0.19 0.00 -0.22 0.00 0.00 54.13 56.15 3ila s LEU 46 Cb 0.00 -3.61 -0.09 0.00 0.50 0.00 0.00 46.19 42.99 3ila s LEU 46 CO 0.00 -0.53 0.99 0.00 -1.32 0.00 0.00 176.35 175.48 3ila s PHE 48 N -2.34 1.37 -0.06 0.00 -0.12 0.13 -4.24 117.98 112.72 3ila s PHE 48 Ca 0.62 -1.46 0.05 0.00 -0.05 0.00 0.00 56.93 56.08 3ila s PHE 48 Cb -0.11 -0.53 -0.02 0.00 -0.63 0.00 0.00 43.02 41.73 3ila s PHE 48 CO 0.23 -0.82 -0.19 -0.51 -0.05 0.00 0.00 175.22 173.88 3ila s LEU 49 N -3.25 2.45 -0.15 -1.99 1.43 -1.22 -0.36 118.68 115.59 3ila s LEU 49 Ca 0.38 -0.34 -0.01 0.00 -1.03 0.00 0.00 54.13 53.14 3ila s LEU 49 Cb 0.04 -1.48 -0.01 0.00 0.03 0.00 0.00 46.19 44.77 3ila s LEU 49 CO 0.20 0.29 -0.12 -1.83 0.23 0.00 0.00 176.35 175.12 3ila s GLU 50 N -0.44 3.36 0.53 1.70 1.03 -0.08 -4.87 118.70 119.93 3ila s GLU 50 Ca 0.05 -0.69 -0.17 0.00 0.03 0.00 0.00 54.97 54.20 3ila s GLU 50 Cb -0.12 -2.68 -0.07 0.00 -0.80 0.00 0.00 34.13 30.46 3ila s GLU 50 CO 0.02 0.13 1.00 -2.14 -1.33 0.00 0.00 175.26 172.94 3ila s PRO 51 N 0.57 3.80 -0.09 -4.83 0.02 -1.26 -1.14 135.00 132.07 3ila s PRO 51 Ca -0.08 1.02 -0.04 0.00 0.02 0.00 0.00 61.00 61.92 3ila s PRO 51 Cb -0.16 -2.11 -0.04 0.00 0.02 0.00 0.00 34.50 32.22 3ila s PRO 51 CO 0.03 -0.40 0.09 0.99 -0.33 0.00 0.00 177.00 177.39 3ila s THR 52 N -2.56 5.05 -0.89 0.99 2.01 -1.21 -4.52 115.64 114.52 3ila s THR 52 Ca 0.60 -0.02 -0.14 0.00 0.31 0.00 0.00 61.69 62.44 3ila s THR 52 Cb -0.11 -3.20 0.22 0.00 0.01 0.00 0.00 72.50 69.41 3ila s THR 52 CO 0.32 0.57 0.87 -2.16 -0.69 0.00 0.00 174.62 173.53 3ila s PRO 59 N -1.12 3.71 0.51 4.92 0.04 -1.26 -5.08 135.00 136.71 3ila s PRO 59 Ca 0.16 -2.51 0.30 0.00 0.04 0.00 0.00 61.00 58.99 3ila s PRO 59 Cb -0.12 -4.51 1.15 0.00 0.04 0.00 0.00 34.50 31.06 3ila s PRO 59 CO 0.05 -1.34 1.91 -1.35 0.04 0.00 0.00 177.00 176.31 3ila h PRO 60 N 7.71 0.00 -2.38 0.56 0.11 -1.95 -3.40 132.00 132.66 3ila h PRO 60 Ca 0.13 0.00 -0.39 0.00 0.11 0.00 0.00 66.00 65.85 3ila h PRO 60 Cb 1.01 0.00 -0.35 0.00 0.11 0.00 0.00 31.00 31.77 3ila h PRO 60 CO 0.84 0.08 -0.68 0.16 -0.21 0.00 0.00 178.00 178.19 3ila s ASP 61 N -5.90 2.20 0.26 -2.05 1.47 -1.26 -5.03 116.67 106.35 3ila s ASP 61 Ca 0.01 -0.86 0.13 0.00 1.18 0.00 0.00 52.55 53.01 3ila s ASP 61 Cb 0.09 0.24 0.24 0.00 -0.34 0.00 0.00 42.92 43.15 3ila s ASP 61 CO 0.58 -0.40 1.52 -0.07 0.68 0.00 0.00 175.17 177.49 3ila h LEU 62 N 8.31 0.00 -0.69 2.11 -0.00 -2.00 -3.30 115.31 119.74 3ila h LEU 62 Ca -0.16 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.71 3ila h LEU 62 Cb 1.06 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.69 3ila h LEU 62 CO 0.36 0.63 0.37 0.00 -0.00 0.00 0.00 178.44 179.80 3ila h ALA 63 N 1.37 0.89 0.00 1.53 0.00 -1.97 -2.25 119.26 118.83 3ila h ALA 63 Ca -0.01 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3ila h ALA 63 Cb 1.28 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.79 3ila h ALA 63 CO 0.08 0.42 0.00 0.44 0.00 0.00 0.00 179.25 180.19 3ila n ILE 64 N -4.49 0.41 -0.01 0.00 -6.64 -1.24 -3.92 119.36 103.46 3ila n ILE 64 Ca 0.06 -0.09 0.10 0.00 -1.77 0.00 0.00 62.75 61.05 3ila n ILE 64 Cb 0.10 -0.63 -0.17 0.00 -1.44 0.00 0.00 39.64 37.50 3ila n ILE 64 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 3ila s PHE 67 N -0.20 1.49 -0.11 0.00 0.08 0.61 -2.53 117.98 117.32 3ila s PHE 67 Ca 0.47 -0.49 -0.11 0.00 0.12 0.00 0.00 56.93 56.92 3ila s PHE 67 Cb -0.25 -1.06 -0.05 0.00 -0.57 0.00 0.00 43.02 41.09 3ila s PHE 67 CO 0.31 -0.22 0.24 0.95 -0.10 0.00 0.00 175.22 176.40 3ila s THR 68 N 0.41 5.33 -0.62 0.64 -4.23 0.57 -0.56 115.64 117.17 3ila s THR 68 Ca -0.10 0.44 -0.26 0.00 -1.18 0.00 0.00 61.69 60.59 3ila s THR 68 Cb -0.14 -3.54 0.04 0.00 1.34 0.00 0.00 72.50 70.20 3ila s THR 68 CO 0.03 0.53 1.14 -0.76 -0.54 0.00 0.00 174.62 175.01 3ila s LEU 69 N -0.48 3.62 -0.08 4.79 1.43 -1.08 -0.74 118.68 126.14 3ila s LEU 69 Ca 0.17 -0.26 -0.24 0.00 -1.03 0.00 0.00 54.13 52.76 3ila s LEU 69 Cb -0.13 -2.85 -0.29 0.00 0.03 0.00 0.00 46.19 42.95 3ila s LEU 69 CO 0.05 -1.52 0.87 -0.08 0.23 0.00 0.00 176.35 175.91 3ila h GLU 70 N 9.62 0.19 -3.71 1.70 4.81 -1.58 0.56 114.58 126.18 3ila h GLU 70 Ca -0.26 -0.31 -0.12 0.00 -0.13 0.00 0.00 59.36 58.54 3ila h GLU 70 Cb 1.06 0.11 -0.17 0.00 0.63 0.00 0.00 28.75 30.38 3ila h GLU 70 CO 1.19 1.13 -0.46 -0.65 -0.73 0.00 0.00 179.01 179.49 3ila s GLN 71 N -2.44 0.65 -0.35 1.92 -0.21 -1.25 -4.67 119.66 113.32 3ila s GLN 71 Ca -0.16 -0.73 0.01 0.00 0.02 0.00 0.00 55.36 54.50 3ila s GLN 71 Cb -0.00 0.26 0.14 0.00 1.00 0.00 0.00 33.01 34.41 3ila s GLN 71 CO 0.78 -0.18 0.26 0.45 -2.12 0.00 0.00 175.29 174.48 3ila s SER 72 N -2.18 2.33 0.24 5.90 0.15 -1.26 -1.73 113.70 117.15 3ila s SER 72 Ca -0.04 -1.79 0.10 0.00 0.70 0.00 0.00 55.95 54.92 3ila s SER 72 Cb -0.00 -0.00 -0.04 0.00 -1.71 0.00 0.00 66.02 64.26 3ila s SER 72 CO -0.05 -0.31 -0.10 -0.76 1.20 0.00 0.00 173.24 173.22 3ila s LEU 73 N 1.39 2.91 0.78 3.45 1.43 -0.32 -4.87 118.68 123.45 3ila s LEU 73 Ca 0.16 -0.74 -0.11 0.00 -1.03 0.00 0.00 54.13 52.40 3ila s LEU 73 Cb -0.19 -1.50 0.06 0.00 0.03 0.00 0.00 46.19 44.59 3ila s LEU 73 CO -0.07 0.05 1.09 -0.94 0.23 0.00 0.00 176.35 176.71 3ila s SER 74 N -3.31 4.66 0.21 2.29 1.04 -1.26 0.18 113.70 117.51 3ila s SER 74 Ca 0.28 1.37 -0.09 0.00 0.48 0.00 0.00 55.95 57.99 3ila s SER 74 Cb -0.07 -2.13 0.17 0.00 0.10 0.00 0.00 66.02 64.09 3ila s SER 74 CO 0.16 -1.87 1.86 0.58 0.98 0.00 0.00 173.24 174.95 3ila h VAL 75 N -1.02 1.22 -0.58 5.02 2.07 -1.95 0.10 116.25 121.12 3ila h VAL 75 Ca -0.46 -0.48 -0.09 0.00 0.82 0.00 0.00 66.70 66.49 3ila h VAL 75 Cb 1.26 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 3ila h VAL 75 CO 0.59 0.23 0.00 0.03 0.02 0.00 0.00 177.57 178.44 3ila h ARG 76 N 1.09 1.00 -0.12 1.57 -0.00 -1.98 -2.51 114.38 113.42 3ila h ARG 76 Ca 0.29 -0.30 -0.13 0.00 -0.50 0.00 0.00 59.98 59.34 3ila h ARG 76 Cb -0.05 -0.10 -0.01 0.00 0.00 0.00 0.00 29.97 29.81 3ila h ARG 76 CO -0.05 0.98 -0.48 0.00 0.00 0.00 0.00 179.97 180.42 3ila h ALA 77 N 1.07 0.96 -0.25 0.04 0.00 -1.79 -3.17 119.26 116.13 3ila h ALA 77 Ca 0.17 -0.46 -0.05 0.00 0.00 0.00 0.00 54.91 54.56 3ila h ALA 77 Cb 0.53 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3ila h ALA 77 CO 0.03 0.65 -0.04 1.25 0.00 0.00 0.00 179.25 181.13 3ila h LEU 78 N 0.26 0.47 -0.78 0.00 5.85 -0.68 -2.94 115.31 117.49 3ila h LEU 78 Ca 0.01 -0.35 0.00 0.00 0.84 0.00 0.00 57.88 58.39 3ila h LEU 78 Cb 0.94 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.80 3ila h LEU 78 CO 0.08 0.71 0.49 1.56 -0.34 0.00 0.00 178.44 180.94 3ila h GLN 79 N 0.22 1.04 -0.36 1.25 4.20 -1.45 -1.83 115.11 118.17 3ila h GLN 79 Ca 0.06 -0.08 -0.12 0.00 0.06 0.00 0.00 58.65 58.58 3ila h GLN 79 Cb 0.49 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 28.03 3ila h GLN 79 CO 0.02 0.71 -0.25 0.93 -0.67 0.00 0.00 178.83 179.57 3ila h GLU 80 N 1.06 0.74 -0.52 1.46 5.08 -1.61 -2.51 114.58 118.27 3ila h GLU 80 Ca 0.28 -0.31 -0.05 0.00 -1.00 0.00 0.00 59.36 58.29 3ila h GLU 80 Cb -0.08 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 3ila h GLU 80 CO -0.06 0.92 0.15 0.00 -1.00 0.00 0.00 179.01 179.02 3ila h MET 81 N 0.64 0.82 -0.09 2.33 -0.00 -1.27 -1.75 114.93 115.61 3ila h MET 81 Ca 0.08 -0.19 -0.08 0.00 -0.00 0.00 0.00 59.70 59.51 3ila h MET 81 Cb 0.76 -0.11 -0.01 0.00 -0.00 0.00 0.00 31.60 32.24 3ila h MET 81 CO 0.06 0.77 -0.32 -0.07 -0.00 0.00 0.00 176.91 177.35 3ila h LEU 82 N 0.72 0.18 -0.52 -0.10 3.38 -1.29 -2.84 115.31 114.84 3ila h LEU 82 Ca 0.17 -0.06 -0.17 0.00 0.09 0.00 0.00 57.88 57.91 3ila h LEU 82 Cb 0.30 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 3ila h LEU 82 CO -0.00 0.50 -0.68 0.00 0.09 0.00 0.00 178.44 178.35 3ila h ALA 83 N 1.51 0.72 -3.00 1.53 0.00 -1.23 -3.49 119.26 115.31 3ila h ALA 83 Ca 0.02 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.34 3ila h ALA 83 Cb 0.65 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3ila h ALA 83 CO 0.05 0.76 0.00 0.09 0.00 0.00 0.00 179.25 180.15 3ila n ASN 84 N -3.84 0.00 -4.62 0.00 3.02 -0.68 -5.11 115.26 104.04 3ila n ASN 84 Ca -0.03 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.11 3ila n ASN 84 Cb 0.67 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.79 3ila n ASN 84 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3ila s GLY 97 N -1.27 1.76 0.00 7.41 0.00 -1.26 -4.98 107.32 108.98 3ila s GLY 97 Ca 0.00 -0.37 -0.00 0.00 0.00 0.00 0.00 44.72 44.34 3ila s GLY 97 CO 0.00 1.63 -0.00 -2.39 0.00 0.00 0.00 173.10 172.34 3ila n HIS 98 N 5.95 0.00 -2.88 1.90 -0.00 -1.26 -4.91 115.22 114.02 3ila n HIS 98 Ca 0.02 0.00 -0.41 0.00 -0.00 0.00 0.00 57.72 57.33 3ila n HIS 98 Cb 0.48 -0.00 -0.04 0.00 -0.00 0.00 0.00 29.99 30.43 3ila n HIS 98 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.34 176.84 3ila s ARG 99 N -1.05 4.41 0.15 -1.40 3.52 -1.26 -4.84 118.95 118.47 3ila s ARG 99 Ca -0.00 1.10 -0.30 0.00 -0.13 0.00 0.00 55.73 56.39 3ila s ARG 99 Cb 0.00 -3.51 -0.07 0.00 -1.56 0.00 0.00 34.95 29.81 3ila s ARG 99 CO 0.00 -0.15 1.09 0.99 -0.81 0.00 0.00 175.30 176.43 3ila s THR 100 N 1.47 4.00 0.18 4.11 2.01 -1.26 -1.97 115.64 124.18 3ila s THR 100 Ca 0.42 1.66 -0.30 0.00 0.31 0.00 0.00 61.69 63.78 3ila s THR 100 Cb -0.18 -4.06 -0.08 0.00 0.01 0.00 0.00 72.50 68.19 3ila s THR 100 CO 0.18 0.26 1.26 -0.76 -0.69 0.00 0.00 174.62 174.87 3ila s LEU 101 N -0.10 4.42 0.16 4.42 1.02 0.41 -4.96 118.68 124.05 3ila s LEU 101 Ca 0.50 2.31 0.09 0.00 0.02 0.00 0.00 54.13 57.05 3ila s LEU 101 Cb -0.28 -3.61 -0.04 0.00 0.02 0.00 0.00 46.19 42.28 3ila s LEU 101 CO 0.33 -0.47 -0.16 -0.76 0.02 0.00 0.00 176.35 175.32 3ila s LEU 102 N -0.03 2.75 0.15 1.79 1.43 -1.26 -0.39 118.68 123.13 3ila s LEU 102 Ca 0.56 -0.64 -0.31 0.00 -1.03 0.00 0.00 54.13 52.71 3ila s LEU 102 Cb -0.34 -1.50 -0.08 0.00 0.03 0.00 0.00 46.19 44.29 3ila s LEU 102 CO 0.37 0.13 1.34 -0.31 0.23 0.00 0.00 176.35 178.10 3ila s TYR 103 N -1.51 3.26 0.00 0.29 2.02 0.27 -2.41 117.35 119.27 3ila s TYR 103 Ca 0.22 1.11 0.00 0.00 -0.37 0.00 0.00 57.07 58.03 3ila s TYR 103 Cb -0.09 -3.62 0.00 0.00 -0.40 0.00 0.00 41.96 37.84 3ila s TYR 103 CO 0.12 -2.05 0.00 0.41 -1.57 0.00 0.00 175.55 172.46 3ila n GLY 104 N 2.89 3.08 3.76 0.71 0.00 -0.69 -0.21 105.19 114.73 3ila n GLY 104 Ca 0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.75 3ila n GLY 104 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3ila s HIS 105 N -2.75 2.53 -0.18 1.61 3.76 -1.01 -4.52 115.29 114.73 3ila s HIS 105 Ca 0.00 1.52 -0.11 0.00 -0.15 0.00 0.00 55.06 56.32 3ila s HIS 105 Cb 0.00 -3.40 -0.05 0.00 1.11 0.00 0.00 32.58 30.24 3ila s HIS 105 CO 0.00 -1.93 0.19 0.00 -0.85 0.00 0.00 174.74 172.15 3ila s ALA 106 N -1.66 3.67 0.09 -1.40 0.00 0.49 -1.99 121.76 120.96 3ila s ALA 106 Ca 0.75 -0.60 0.07 0.00 0.00 0.00 0.00 51.96 52.18 3ila s ALA 106 Cb -0.28 -2.24 -0.04 0.00 0.00 0.00 0.00 23.12 20.57 3ila s ALA 106 CO 0.31 0.16 -0.14 0.96 0.00 0.00 0.00 175.76 177.04 3ila s ILE 107 N 0.32 3.08 -0.27 0.00 -4.36 0.12 -1.17 121.20 118.92 3ila s ILE 107 Ca 0.11 -1.30 -0.06 0.00 -0.26 0.00 0.00 60.65 59.14 3ila s ILE 107 Cb -0.12 -2.40 0.00 0.00 1.25 0.00 0.00 42.46 41.20 3ila s ILE 107 CO 0.00 0.17 0.04 -0.22 0.24 0.00 0.00 174.94 175.18 3ila s LEU 108 N -1.97 3.54 -0.44 0.37 2.96 -0.70 -2.09 118.68 120.34 3ila s LEU 108 Ca 0.18 -0.59 -0.10 0.00 -0.22 0.00 0.00 54.13 53.40 3ila s LEU 108 Cb -0.11 -1.84 0.09 0.00 0.50 0.00 0.00 46.19 44.83 3ila s LEU 108 CO 0.10 -0.13 0.30 -0.76 -1.32 0.00 0.00 176.35 174.54 3ila s LEU 109 N 1.49 5.32 -0.18 -0.68 1.43 -1.26 -1.33 118.68 123.49 3ila s LEU 109 Ca 0.03 -1.56 -0.21 0.00 -1.03 0.00 0.00 54.13 51.37 3ila s LEU 109 Cb -0.16 -2.02 -0.03 0.00 0.03 0.00 0.00 46.19 44.01 3ila s LEU 109 CO 0.01 -0.58 0.64 -0.60 0.23 0.00 0.00 176.35 176.04 3ila s ARG 110 N 1.44 4.25 -0.39 1.70 3.52 0.08 -1.48 118.95 128.08 3ila s ARG 110 Ca 0.04 0.65 -0.28 0.00 -0.13 0.00 0.00 55.73 56.01 3ila s ARG 110 Cb -0.24 -3.55 -0.01 0.00 -1.56 0.00 0.00 34.95 29.59 3ila s ARG 110 CO 0.02 -0.18 1.71 -1.58 -0.81 0.00 0.00 175.30 174.46 3ila s HIS 111 N 1.70 1.93 0.27 5.12 5.65 0.31 -0.32 115.29 129.96 3ila s HIS 111 Ca 0.30 0.65 0.00 0.00 0.25 0.00 0.00 55.06 56.26 3ila s HIS 111 Cb -0.16 -4.17 0.60 0.00 -1.18 0.00 0.00 32.58 27.67 3ila s HIS 111 CO 0.11 -2.62 1.72 0.00 -0.65 0.00 0.00 174.74 173.30 3ila h ALA 112 N 12.61 1.28 0.02 1.58 0.00 -1.78 0.12 119.26 133.09 3ila h ALA 112 Ca -0.31 0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 3ila h ALA 112 Cb 1.15 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3ila h ALA 112 CO 1.07 -0.25 -0.01 1.12 0.00 0.00 0.00 179.25 181.19 3ila h HIS 113 N 0.46 -0.02 0.00 0.00 2.07 -1.81 -3.33 115.15 112.51 3ila h HIS 113 Ca 0.49 -0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.01 3ila h HIS 113 Cb 0.84 0.01 0.00 0.00 2.57 0.00 0.00 27.41 30.83 3ila h HIS 113 CO -0.14 0.70 -0.22 0.66 -3.07 0.00 0.00 177.93 175.85 3ila h SER 114 N -0.78 0.00 0.00 3.10 4.64 -1.88 -3.47 113.55 115.16 3ila h SER 114 Ca -0.00 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 3ila h SER 114 Cb 0.73 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.82 3ila h SER 114 CO 0.00 0.03 0.00 -2.11 -0.87 0.00 0.00 176.83 173.89 3ila n ARG 115 N -2.30 -1.23 -2.68 4.77 -4.01 0.40 -5.00 116.66 106.62 3ila n ARG 115 Ca 0.05 0.31 -0.21 0.00 -1.04 0.00 0.00 57.85 56.95 3ila n ARG 115 Cb 0.45 -4.25 0.09 0.00 -3.04 0.00 0.00 32.46 25.71 3ila n ARG 115 CO 0.00 0.00 0.00 -1.33 -3.04 0.00 0.00 177.63 173.26 3ila n MET 116 N -0.52 0.20 -5.28 2.89 2.81 -1.23 -4.80 117.12 111.19 3ila n MET 116 Ca 0.00 -2.80 -0.31 0.00 -1.81 0.00 0.00 57.70 52.78 3ila n MET 116 Cb 0.31 -0.47 -0.16 0.00 -0.71 0.00 0.00 33.22 32.18 3ila n MET 116 CO 0.00 0.00 0.00 0.71 1.51 0.00 0.00 175.97 178.19 3ila s TYR 117 N -2.78 2.33 0.21 2.03 2.02 0.03 0.11 117.35 121.29 3ila s TYR 117 Ca 0.62 -0.44 -0.30 0.00 -0.37 0.00 0.00 57.07 56.58 3ila s TYR 117 Cb -0.04 -1.49 -0.09 0.00 -0.40 0.00 0.00 41.96 39.94 3ila s TYR 117 CO 0.41 -0.03 1.36 -1.17 -1.57 0.00 0.00 175.55 174.55 3ila s LEU 118 N -0.65 4.40 0.28 -1.29 2.96 -0.55 -0.45 118.68 123.39 3ila s LEU 118 Ca 0.10 2.49 -0.06 0.00 -0.22 0.00 0.00 54.13 56.44 3ila s LEU 118 Cb -0.10 -3.61 -0.01 0.00 0.50 0.00 0.00 46.19 42.97 3ila s LEU 118 CO -0.01 -0.60 0.41 -0.94 -1.32 0.00 0.00 176.35 173.89 3ila s SER 119 N 0.42 0.42 -0.41 3.68 1.04 0.01 -4.42 113.70 114.44 3ila s SER 119 Ca 0.58 -1.27 -0.13 0.00 0.48 0.00 0.00 55.95 55.61 3ila s SER 119 Cb -0.38 0.58 0.04 0.00 0.10 0.00 0.00 66.02 66.36 3ila s SER 119 CO 0.39 -1.15 0.29 0.00 0.98 0.00 0.00 173.24 173.74 3ila s LEU 121 N 1.60 3.40 0.00 0.00 1.43 0.59 -4.88 118.68 120.82 3ila s LEU 121 Ca 0.04 1.60 0.28 0.00 -1.03 0.00 0.00 54.13 55.02 3ila s LEU 121 Cb -0.21 -4.50 1.14 0.00 0.03 0.00 0.00 46.19 42.65 3ila s LEU 121 CO 0.07 -0.95 1.80 0.41 0.23 0.00 0.00 176.35 177.91 3ila n THR 122 N -2.27 0.00 -3.05 5.49 -1.04 -1.26 -3.91 114.28 108.24 3ila n THR 122 Ca 0.07 -0.11 -0.17 0.00 -2.04 0.00 0.00 64.05 61.80 3ila n THR 122 Cb 0.54 0.10 0.01 0.00 -1.82 0.00 0.00 70.33 69.16 3ila n THR 122 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 3ila s THR 123 N -2.34 3.10 0.00 12.58 -4.23 -1.26 -4.93 115.64 118.55 3ila s THR 123 Ca 0.31 -0.99 0.00 0.00 -1.18 0.00 0.00 61.69 59.83 3ila s THR 123 Cb 0.20 -3.04 0.00 0.00 1.34 0.00 0.00 72.50 71.00 3ila s THR 123 CO 0.45 -0.02 0.00 -1.20 -0.54 0.00 0.00 174.62 173.31 3ila n SER 124 N -1.84 0.00 -0.30 3.99 7.64 -1.26 -0.26 113.62 121.59 3ila n SER 124 Ca 0.07 0.00 0.34 0.00 1.01 0.00 0.00 58.87 60.30 3ila n SER 124 Cb 0.59 0.00 0.74 0.00 -1.01 0.00 0.00 64.21 64.53 3ila n SER 124 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 3ila h LEU 131 N 0.00 0.00 -9.38 -3.43 6.46 -2.04 -3.46 115.31 103.47 3ila h LEU 131 Ca 0.00 0.00 -0.54 0.00 -0.12 0.00 0.00 57.88 57.22 3ila h LEU 131 Cb 0.00 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 39.93 3ila h LEU 131 CO 0.00 0.00 0.83 0.00 -0.62 0.00 0.00 178.44 178.65 3ila s ALA 132 N -4.92 3.58 0.21 1.25 0.00 -1.26 -4.99 121.76 115.63 3ila s ALA 132 Ca -0.05 0.89 -0.22 0.00 0.00 0.00 0.00 51.96 52.58 3ila s ALA 132 Cb 0.22 -3.60 -0.08 0.00 0.00 0.00 0.00 23.12 19.67 3ila s ALA 132 CO 0.79 -0.91 0.76 -0.06 0.00 0.00 0.00 175.76 176.34 3ila s PHE 133 N 2.37 3.74 0.68 0.00 0.08 -0.65 -4.85 117.98 119.35 3ila s PHE 133 Ca 0.64 1.51 -0.16 0.00 0.12 0.00 0.00 56.93 59.04 3ila s PHE 133 Cb -0.32 -2.70 0.01 0.00 -0.57 0.00 0.00 43.02 39.44 3ila s PHE 133 CO 0.27 0.39 1.21 -0.51 -0.10 0.00 0.00 175.22 176.47 3ila s ASP 134 N -1.47 4.60 -0.17 1.36 1.01 0.64 -0.67 116.67 121.97 3ila s ASP 134 Ca 0.41 2.36 0.01 0.00 0.71 0.00 0.00 52.55 56.05 3ila s ASP 134 Cb -0.19 -2.59 0.02 0.00 1.01 0.00 0.00 42.92 41.17 3ila s ASP 134 CO 0.23 -1.99 -0.19 -0.69 0.21 0.00 0.00 175.17 172.74 3ila s VAL 135 N -1.84 1.98 0.00 -1.27 1.01 -1.26 -0.30 120.40 118.72 3ila s VAL 135 Ca 0.75 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 61.84 3ila s VAL 135 Cb -0.30 -1.79 0.00 0.00 0.00 0.00 0.00 36.38 34.30 3ila s VAL 135 CO 0.41 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.65 3ila n GLY 136 N 4.57 4.34 3.70 4.51 0.00 -1.13 -1.81 105.19 119.37 3ila n GLY 136 Ca -0.20 -1.05 -0.32 0.00 0.00 0.00 0.00 46.02 44.45 3ila n GLY 136 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ila s LEU 137 N 0.00 3.56 0.03 0.99 1.43 -1.16 -0.81 118.68 122.72 3ila s LEU 137 Ca 0.00 -0.05 0.02 0.00 -1.03 0.00 0.00 54.13 53.08 3ila s LEU 137 Cb 0.00 -2.14 -0.02 0.00 0.03 0.00 0.00 46.19 44.06 3ila s LEU 137 CO 0.00 0.24 -0.08 -1.10 0.23 0.00 0.00 176.35 175.64 3ila s GLN 138 N -1.87 0.53 0.07 1.70 -1.52 0.41 -4.38 119.66 114.60 3ila s GLN 138 Ca 0.23 -0.66 0.05 0.00 -1.95 0.00 0.00 55.36 53.02 3ila s GLN 138 Cb -0.12 -0.34 -0.23 0.00 -0.22 0.00 0.00 33.01 32.10 3ila s GLN 138 CO 0.14 0.07 1.11 0.93 -0.25 0.00 0.00 175.29 177.29 3ila h GLU 139 N 4.77 0.07 -6.55 2.91 5.08 -1.95 0.13 114.58 119.03 3ila h GLU 139 Ca -0.35 -0.12 -0.52 0.00 -1.00 0.00 0.00 59.36 57.37 3ila h GLU 139 Cb 1.20 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.48 3ila h GLU 139 CO 0.42 0.96 0.39 0.34 -1.00 0.00 0.00 179.01 180.12 3ila s ASP 140 N -6.71 7.43 -0.05 1.42 2.15 -1.26 -4.86 116.67 114.79 3ila s ASP 140 Ca -0.02 1.82 0.12 0.00 0.43 0.00 0.00 52.55 54.90 3ila s ASP 140 Cb 0.09 -2.59 -0.23 0.00 -0.30 0.00 0.00 42.92 39.89 3ila s ASP 140 CO 0.83 -0.14 0.64 0.00 -0.17 0.00 0.00 175.17 176.33 3ila n ALA 141 N 2.97 1.46 -1.73 3.66 0.00 -1.26 -4.87 120.51 120.74 3ila n ALA 141 Ca 0.03 -0.77 -0.33 0.00 0.00 0.00 0.00 53.44 52.37 3ila n ALA 141 Cb 0.49 -0.83 -0.01 0.00 0.00 0.00 0.00 19.45 19.10 3ila n ALA 141 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3ila s THR 142 N -2.59 3.83 0.00 0.00 -4.23 -1.26 -4.84 115.64 106.55 3ila s THR 142 Ca -0.06 0.98 0.00 0.00 -1.18 0.00 0.00 61.69 61.43 3ila s THR 142 Cb 0.08 -3.43 0.00 0.00 1.34 0.00 0.00 72.50 70.49 3ila s THR 142 CO 0.82 -0.40 0.00 0.61 -0.54 0.00 0.00 174.62 175.11 3ila n GLY 143 N -0.70 1.62 0.13 3.99 0.00 -1.26 -4.84 105.19 104.13 3ila n GLY 143 Ca 0.09 -1.67 0.13 0.00 0.00 0.00 0.00 46.02 44.56 3ila n GLY 143 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3ila h GLU 144 N 0.00 0.00 -0.85 1.61 5.08 -1.96 -3.31 114.58 115.15 3ila h GLU 144 Ca 0.00 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.39 3ila h GLU 144 Cb 0.00 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.20 3ila h GLU 144 CO 0.00 0.00 0.56 0.00 -1.00 0.00 0.00 179.01 178.57 3ila h ALA 145 N 2.33 1.45 -0.18 3.43 0.00 -1.90 -2.35 119.26 122.05 3ila h ALA 145 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3ila h ALA 145 Cb 0.53 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3ila h ALA 145 CO 0.00 0.47 0.00 0.00 0.00 0.00 0.00 179.25 179.72 3ila s TRP 147 N -1.76 2.63 -0.05 0.00 0.52 -0.88 -4.31 118.94 115.08 3ila s TRP 147 Ca 0.15 -0.37 0.01 0.00 0.02 0.00 0.00 56.10 55.92 3ila s TRP 147 Cb 0.08 -1.64 0.02 0.00 -1.15 0.00 0.00 33.47 30.78 3ila s TRP 147 CO 0.11 0.02 -0.07 -1.58 0.02 0.00 0.00 176.95 175.46 3ila s TRP 148 N -0.44 0.91 -0.01 -1.98 0.52 -0.89 -2.15 118.94 114.89 3ila s TRP 148 Ca 0.05 -0.27 -0.15 0.00 0.02 0.00 0.00 56.10 55.74 3ila s TRP 148 Cb -0.12 -0.74 -0.06 0.00 -1.15 0.00 0.00 33.47 31.40 3ila s TRP 148 CO 0.02 -0.20 0.42 0.95 0.02 0.00 0.00 176.95 178.16 3ila s THR 149 N 0.77 5.02 0.01 2.01 -4.23 0.50 0.13 115.64 119.85 3ila s THR 149 Ca -0.12 0.87 -0.13 0.00 -1.18 0.00 0.00 61.69 61.13 3ila s THR 149 Cb -0.14 -3.73 -0.06 0.00 1.34 0.00 0.00 72.50 69.91 3ila s THR 149 CO 0.01 0.56 0.38 -0.04 -0.54 0.00 0.00 174.62 174.99 3ila s MET 150 N -0.93 3.85 0.02 3.99 -1.94 -0.84 -0.79 119.30 122.66 3ila s MET 150 Ca 0.24 0.32 -0.05 0.00 -1.71 0.00 0.00 55.69 54.50 3ila s MET 150 Cb -0.17 -3.18 -0.01 0.00 2.01 0.00 0.00 34.83 33.49 3ila s MET 150 CO 0.13 0.67 0.08 -1.01 -0.01 0.00 0.00 175.02 174.89 3ila s HIS 151 N -1.14 0.16 0.57 -0.03 3.76 -0.02 -1.71 115.29 116.89 3ila s HIS 151 Ca 0.25 -0.38 -0.09 0.00 -0.15 0.00 0.00 55.06 54.68 3ila s HIS 151 Cb -0.16 -0.12 0.15 0.00 1.11 0.00 0.00 32.58 33.56 3ila s HIS 151 CO 0.13 -0.30 0.36 -2.30 -0.85 0.00 0.00 174.74 171.79 3ila n PRO 152 N 1.19 -2.93 0.02 8.40 -0.02 -1.26 -0.92 135.00 139.48 3ila n PRO 152 Ca -0.21 -0.60 -0.11 0.00 -2.02 0.00 0.00 63.50 60.56 3ila n PRO 152 Cb 0.57 -0.73 -0.08 0.00 -0.02 0.00 0.00 33.50 33.23 3ila n PRO 152 CO 0.00 0.00 0.00 0.07 1.98 0.00 0.00 175.50 177.55 3ila h ARG 157 N 0.00 -0.14 -5.05 -0.52 -0.00 -1.95 -3.44 114.38 103.29 3ila h ARG 157 Ca -0.16 0.01 -0.33 0.00 -0.00 0.00 0.00 59.98 59.50 3ila h ARG 157 Cb 0.52 0.03 -0.17 0.00 -0.00 0.00 0.00 29.97 30.36 3ila h ARG 157 CO 0.10 0.36 -0.73 -1.54 -0.00 0.00 0.00 179.97 178.15 3ila s SER 158 N -5.61 1.63 0.12 0.08 1.04 -1.26 -5.12 113.70 104.58 3ila s SER 158 Ca -0.13 -0.89 -0.31 0.00 0.48 0.00 0.00 55.95 55.10 3ila s SER 158 Cb 0.00 -0.00 -0.08 0.00 0.10 0.00 0.00 66.02 66.03 3ila s SER 158 CO 0.50 -0.28 1.44 -1.83 0.98 0.00 0.00 173.24 174.05 3ila s GLU 159 N -3.14 4.29 0.00 4.02 1.03 -1.26 -2.65 118.70 120.99 3ila s GLU 159 Ca 0.10 2.15 0.00 0.00 0.03 0.00 0.00 54.97 57.25 3ila s GLU 159 Cb -0.01 -3.24 0.00 0.00 -0.80 0.00 0.00 34.13 30.08 3ila s GLU 159 CO 0.00 -0.49 0.00 0.41 -1.33 0.00 0.00 175.26 173.86 3ila n GLY 160 N 3.57 2.73 3.77 -3.83 0.00 0.71 -4.96 105.19 107.18 3ila n GLY 160 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 3ila n GLY 160 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ila s GLU 161 N -0.36 2.49 0.27 1.61 2.02 -1.08 -4.52 118.70 119.12 3ila s GLU 161 Ca 0.00 1.29 -0.29 0.00 0.02 0.00 0.00 54.97 55.99 3ila s GLU 161 Cb 0.00 -1.92 -0.10 0.00 0.10 0.00 0.00 34.13 32.22 3ila s GLU 161 CO 0.00 -1.48 1.26 0.15 0.02 0.00 0.00 175.26 175.22 3ila s LYS 162 N -4.50 4.43 -0.03 1.61 1.02 -1.26 -0.56 119.74 120.45 3ila s LYS 162 Ca 0.64 2.07 -0.30 0.00 0.02 0.00 0.00 55.97 58.40 3ila s LYS 162 Cb -0.19 -3.14 -0.03 0.00 -0.52 0.00 0.00 37.83 33.94 3ila s LYS 162 CO 0.49 -0.13 1.13 0.08 -0.92 0.00 0.00 175.35 176.00 3ila s VAL 163 N -0.65 4.41 -0.16 3.17 1.01 0.48 -4.83 120.40 123.82 3ila s VAL 163 Ca 0.51 1.72 -0.08 0.00 0.00 0.00 0.00 61.98 64.13 3ila s VAL 163 Cb -0.37 -4.10 -0.04 0.00 0.00 0.00 0.00 36.38 31.86 3ila s VAL 163 CO 0.45 0.05 0.12 -0.13 0.00 0.00 0.00 175.10 175.59 3ila s ARG 164 N 1.71 3.80 0.04 2.72 0.52 -1.26 -2.54 118.95 123.94 3ila s ARG 164 Ca 0.54 -0.20 -0.30 0.00 -0.52 0.00 0.00 55.73 55.26 3ila s ARG 164 Cb -0.24 -3.28 -0.09 0.00 0.52 0.00 0.00 34.95 31.86 3ila s ARG 164 CO 0.24 0.53 1.92 0.08 0.02 0.00 0.00 175.30 178.08 3ila s VAL 165 N -0.30 3.00 0.00 3.52 1.01 -0.87 -2.09 120.40 124.67 3ila s VAL 165 Ca 0.11 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.18 3ila s VAL 165 Cb -0.12 -3.06 0.00 0.00 0.00 0.00 0.00 36.38 33.21 3ila s VAL 165 CO 0.01 -0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.71 3ila n GLY 166 N 4.46 2.70 3.77 4.51 0.00 -1.26 -4.95 105.19 114.42 3ila n GLY 166 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 3ila n GLY 166 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ila s ASP 167 N -1.04 6.31 0.44 1.61 1.11 -0.89 -4.91 116.67 119.31 3ila s ASP 167 Ca 0.00 2.52 -0.25 0.00 0.18 0.00 0.00 52.55 55.00 3ila s ASP 167 Cb 0.00 -2.63 -0.08 0.00 1.07 0.00 0.00 42.92 41.29 3ila s ASP 167 CO 0.00 -0.83 1.28 -1.81 1.18 0.00 0.00 175.17 174.98 3ila s ASP 168 N -0.94 6.13 0.10 0.27 1.01 -1.26 -4.55 116.67 117.44 3ila s ASP 168 Ca 0.58 2.59 0.06 0.00 0.71 0.00 0.00 52.55 56.49 3ila s ASP 168 Cb -0.35 -2.63 -0.03 0.00 1.01 0.00 0.00 42.92 40.92 3ila s ASP 168 CO 0.44 -0.97 -0.14 -0.76 0.21 0.00 0.00 175.17 173.95 3ila s LEU 169 N -2.71 2.36 -0.26 1.23 1.43 0.56 -4.83 118.68 116.46 3ila s LEU 169 Ca 0.60 -0.75 -0.03 0.00 -1.03 0.00 0.00 54.13 52.92 3ila s LEU 169 Cb -0.36 -0.52 0.02 0.00 0.03 0.00 0.00 46.19 45.35 3ila s LEU 169 CO 0.46 -0.13 -0.02 -0.63 0.23 0.00 0.00 176.35 176.25 3ila s ILE 170 N -1.89 3.23 -0.32 -0.59 -1.09 -0.09 -1.56 121.20 118.89 3ila s ILE 170 Ca 0.05 -0.87 -0.12 0.00 -2.23 0.00 0.00 60.65 57.49 3ila s ILE 170 Cb -0.06 -2.63 -0.02 0.00 -1.58 0.00 0.00 42.46 38.17 3ila s ILE 170 CO 0.03 0.19 0.20 -0.76 -1.23 0.00 0.00 174.94 173.37 3ila s LEU 171 N 1.39 4.27 -0.17 2.97 1.02 -1.26 -0.84 118.68 126.07 3ila s LEU 171 Ca 0.01 -0.34 -0.03 0.00 0.02 0.00 0.00 54.13 53.80 3ila s LEU 171 Cb -0.16 -2.10 -0.02 0.00 0.02 0.00 0.00 46.19 43.93 3ila s LEU 171 CO -0.02 -0.17 -0.05 -0.69 0.02 0.00 0.00 176.35 175.43 3ila s VAL 172 N 1.70 3.68 0.02 -1.59 1.01 0.03 -1.75 120.40 123.50 3ila s VAL 172 Ca 0.06 -0.42 -0.30 0.00 0.00 0.00 0.00 61.98 61.32 3ila s VAL 172 Cb -0.17 -2.62 -0.07 0.00 0.00 0.00 0.00 36.38 33.52 3ila s VAL 172 CO 0.09 0.47 1.63 -0.55 0.00 0.00 0.00 175.10 176.75 3ila s SER 173 N 0.65 6.66 0.25 3.32 0.15 -0.47 -0.37 113.70 123.89 3ila s SER 173 Ca -0.03 2.35 -0.04 0.00 0.70 0.00 0.00 55.95 58.93 3ila s SER 173 Cb -0.15 -2.55 0.30 0.00 -1.71 0.00 0.00 66.02 61.91 3ila s SER 173 CO 0.02 -0.88 1.82 0.58 1.20 0.00 0.00 173.24 175.99 3ila h VAL 174 N 5.11 1.24 0.02 4.45 2.07 -1.62 0.28 116.25 127.80 3ila h VAL 174 Ca -0.41 -0.77 -0.00 0.00 0.82 0.00 0.00 66.70 66.34 3ila h VAL 174 Cb 1.19 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 3ila h VAL 174 CO 0.93 0.31 -0.01 0.77 0.02 0.00 0.00 177.57 179.59 3ila h SER 175 N 1.00 -0.03 0.00 0.57 4.64 -1.80 -3.38 113.55 114.55 3ila h SER 175 Ca 0.23 -0.66 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 3ila h SER 175 Cb 0.21 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 3ila h SER 175 CO -0.02 0.68 -1.25 -1.54 -0.87 0.00 0.00 176.83 173.82 3ila n SER 176 N -4.77 0.79 -1.94 4.97 3.41 -1.23 -5.00 113.62 109.86 3ila n SER 176 Ca -0.09 -0.57 -0.16 0.00 -0.26 0.00 0.00 58.87 57.79 3ila n SER 176 Cb 0.34 1.34 -0.00 0.00 -0.26 0.00 0.00 64.21 65.62 3ila n SER 176 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3ila n GLU 177 N -1.71 -1.68 -4.34 4.33 1.02 0.98 -5.00 120.64 114.25 3ila n GLU 177 Ca 0.01 0.78 -0.31 0.00 -0.02 0.00 0.00 57.16 57.62 3ila n GLU 177 Cb 0.37 -5.19 -0.10 0.00 -0.02 0.00 0.00 31.44 26.50 3ila n GLU 177 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3ila s ARG 178 N -4.91 2.30 0.26 3.49 0.52 -1.25 -4.80 118.95 114.55 3ila s ARG 178 Ca 0.04 -0.91 -0.27 0.00 -0.52 0.00 0.00 55.73 54.06 3ila s ARG 178 Cb -0.02 -2.38 -0.09 0.00 0.52 0.00 0.00 34.95 32.99 3ila s ARG 178 CO 0.04 0.54 0.91 0.71 0.02 0.00 0.00 175.30 177.52 3ila s TYR 179 N -1.13 3.86 -0.13 -0.53 2.02 0.11 -1.37 117.35 120.18 3ila s TYR 179 Ca 0.20 1.80 -0.29 0.00 -0.37 0.00 0.00 57.07 58.41 3ila s TYR 179 Cb -0.11 -2.91 -0.05 0.00 -0.40 0.00 0.00 41.96 38.49 3ila s TYR 179 CO 0.11 0.38 1.89 -1.17 -1.57 0.00 0.00 175.55 175.19 3ila s LEU 180 N -1.52 3.96 -0.05 -1.29 2.96 -0.71 -2.10 118.68 119.94 3ila s LEU 180 Ca 0.43 2.04 0.06 0.00 -0.22 0.00 0.00 54.13 56.45 3ila s LEU 180 Cb -0.23 -3.53 -0.01 0.00 0.50 0.00 0.00 46.19 42.93 3ila s LEU 180 CO 0.28 -1.37 -0.24 -2.28 -1.32 0.00 0.00 176.35 171.42 3ila s HIS 181 N 5.76 2.28 -0.10 5.38 5.65 0.11 -3.82 115.29 130.57 3ila s HIS 181 Ca 0.85 -0.61 -0.25 0.00 0.25 0.00 0.00 55.06 55.30 3ila s HIS 181 Cb -0.33 -1.49 -0.03 0.00 -1.18 0.00 0.00 32.58 29.55 3ila s HIS 181 CO 0.35 -0.16 0.77 -1.17 -0.65 0.00 0.00 174.74 173.88 3ila s LEU 182 N -0.25 4.27 -0.06 8.88 2.96 -1.26 -1.75 118.68 131.46 3ila s LEU 182 Ca -0.00 1.22 0.02 0.00 -0.22 0.00 0.00 54.13 55.15 3ila s LEU 182 Cb -0.12 -3.18 0.02 0.00 0.50 0.00 0.00 46.19 43.40 3ila s LEU 182 CO 0.02 -0.23 -0.10 -0.94 -1.32 0.00 0.00 176.35 173.78 3ila s SER 183 N 0.96 1.62 0.17 3.68 1.04 0.00 -4.99 113.70 116.17 3ila s SER 183 Ca 0.39 -0.26 -0.07 0.00 0.48 0.00 0.00 55.95 56.50 3ila s SER 183 Cb -0.18 -0.74 0.04 0.00 0.10 0.00 0.00 66.02 65.25 3ila s SER 183 CO 0.17 -0.00 1.49 0.74 0.98 0.00 0.00 173.24 176.61 3ila h THR 184 N 6.03 1.29 -6.91 2.02 2.02 -1.83 0.15 112.91 115.69 3ila h THR 184 Ca -0.32 -1.69 -0.56 0.00 0.77 0.00 0.00 66.41 64.60 3ila h THR 184 Cb 1.17 1.61 -0.01 0.00 -1.74 0.00 0.00 68.15 69.19 3ila h THR 184 CO 0.47 0.54 -1.02 0.00 0.37 0.00 0.00 175.52 175.88 3ila n ALA 185 N -2.54 -2.64 -3.42 6.16 0.00 -1.26 -2.48 120.51 114.34 3ila n ALA 185 Ca -0.03 -0.49 -0.21 0.00 0.00 0.00 0.00 53.44 52.71 3ila n ALA 185 Cb 0.59 -1.91 0.05 0.00 0.00 0.00 0.00 19.45 18.18 3ila n ALA 185 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3ila n SER 186 N -2.20 -6.17 0.00 0.00 3.41 -1.26 -3.14 113.62 104.26 3ila n SER 186 Ca -0.17 -0.80 0.00 0.00 -0.26 0.00 0.00 58.87 57.64 3ila n SER 186 Cb 0.59 -4.41 0.00 0.00 -0.26 0.00 0.00 64.21 60.13 3ila n SER 186 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ila n GLY 187 N -1.46 1.57 3.54 5.00 0.00 -1.04 -4.93 105.19 107.89 3ila n GLY 187 Ca -0.08 -0.09 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 3ila n GLY 187 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ila s GLU 188 N 0.00 3.25 -0.53 1.61 -6.30 -1.10 -4.95 118.70 110.68 3ila s GLU 188 Ca 0.00 -0.47 -0.26 0.00 -2.50 0.00 0.00 54.97 51.74 3ila s GLU 188 Cb 0.00 -4.37 -0.06 0.00 0.00 0.00 0.00 34.13 29.70 3ila s GLU 188 CO 0.00 -2.11 2.31 -0.51 0.02 0.00 0.00 175.26 174.97 3ila s LEU 189 N 5.37 3.37 0.31 2.70 1.43 -1.24 -4.19 118.68 126.42 3ila s LEU 189 Ca 0.35 0.90 0.10 0.00 -1.03 0.00 0.00 54.13 54.44 3ila s LEU 189 Cb -0.08 -2.51 -0.05 0.00 0.03 0.00 0.00 46.19 43.58 3ila s LEU 189 CO 0.10 -2.84 -0.01 -1.10 0.23 0.00 0.00 176.35 172.73 3ila s GLN 190 N 8.07 2.11 -0.07 1.70 -1.52 0.53 -3.41 119.66 127.07 3ila s GLN 190 Ca 0.92 -1.63 0.03 0.00 -1.95 0.00 0.00 55.36 52.73 3ila s GLN 190 Cb -0.16 -2.00 0.00 0.00 -0.22 0.00 0.00 33.01 30.64 3ila s GLN 190 CO 0.24 0.23 -0.18 0.54 -0.25 0.00 0.00 175.29 175.88 3ila s VAL 191 N -2.45 1.55 0.23 1.09 0.11 -1.26 -0.82 120.40 118.85 3ila s VAL 191 Ca 0.33 -0.74 0.05 0.00 -2.93 0.00 0.00 61.98 58.70 3ila s VAL 191 Cb -0.03 -1.36 -0.02 0.00 -1.53 0.00 0.00 36.38 33.44 3ila s VAL 191 CO 0.19 0.45 0.19 -0.90 -3.33 0.00 0.00 175.10 171.70 3ila n ASP 192 N 3.52 -0.44 -4.21 3.54 5.68 -0.71 -4.00 116.55 119.93 3ila n ASP 192 Ca -0.20 -2.49 -0.36 0.00 -0.50 0.00 0.00 54.79 51.24 3ila n ASP 192 Cb 0.52 1.13 -0.13 0.00 -1.14 0.00 0.00 41.12 41.50 3ila n ASP 192 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3ila s ALA 193 N -2.92 2.92 0.26 2.12 0.00 0.15 0.09 121.76 124.38 3ila s ALA 193 Ca 0.27 -1.79 0.05 0.00 0.00 0.00 0.00 51.96 50.48 3ila s ALA 193 Cb 0.01 -2.08 -0.02 0.00 0.00 0.00 0.00 23.12 21.03 3ila s ALA 193 CO 0.19 -1.32 0.17 -1.13 0.00 0.00 0.00 175.76 173.67 3ila n SER 194 N 4.69 0.06 -0.01 0.00 3.41 -0.89 -1.63 113.62 119.25 3ila n SER 194 Ca -0.12 -2.57 0.14 0.00 -0.26 0.00 0.00 58.87 56.06 3ila n SER 194 Cb 0.44 1.04 0.66 0.00 -0.26 0.00 0.00 64.21 66.09 3ila n SER 194 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3ila n PHE 195 N -0.53 0.00 -3.13 7.33 3.72 -1.26 -0.71 117.46 122.88 3ila n PHE 195 Ca 0.02 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 57.03 3ila n PHE 195 Cb 0.43 -0.35 -0.05 0.00 -0.94 0.00 0.00 39.48 38.57 3ila n PHE 195 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 176.76 175.07 3ila s MET 196 N -2.75 4.39 0.12 -1.08 -1.94 -1.26 -4.88 119.30 111.90 3ila s MET 196 Ca 0.22 0.78 -0.00 0.00 -1.71 0.00 0.00 55.69 54.98 3ila s MET 196 Cb 0.20 -3.40 -0.04 0.00 2.01 0.00 0.00 34.83 33.59 3ila s MET 196 CO 0.50 0.19 0.28 1.14 -0.01 0.00 0.00 175.02 177.13 3ila s GLN 197 N 0.38 3.48 0.03 2.03 -2.07 -1.26 -4.54 119.66 117.71 3ila s GLN 197 Ca 0.34 -0.42 0.01 0.00 -1.82 0.00 0.00 55.36 53.47 3ila s GLN 197 Cb -0.18 -2.96 -0.02 0.00 -1.09 0.00 0.00 33.01 28.76 3ila s GLN 197 CO 0.17 0.53 -0.06 0.95 -1.32 0.00 0.00 175.29 175.56 3ila s THR 198 N -1.66 0.38 -0.04 3.63 -4.23 -1.25 -4.91 115.64 107.56 3ila s THR 198 Ca 0.36 -1.00 -0.22 0.00 -1.18 0.00 0.00 61.69 59.66 3ila s THR 198 Cb -0.12 -0.47 -0.05 0.00 1.34 0.00 0.00 72.50 73.20 3ila s THR 198 CO 0.28 -0.42 0.63 -0.76 -0.54 0.00 0.00 174.62 173.81 3ila s LEU 199 N -1.51 4.36 0.04 4.79 1.43 -1.26 -4.69 118.68 121.83 3ila s LEU 199 Ca -0.12 1.13 0.09 0.00 -1.03 0.00 0.00 54.13 54.20 3ila s LEU 199 Cb -0.10 -2.97 -0.03 0.00 0.03 0.00 0.00 46.19 43.13 3ila s LEU 199 CO -0.00 -0.01 -0.25 0.26 0.23 0.00 0.00 176.35 176.58 3ila s TRP 200 N 0.34 2.20 -0.14 0.29 0.52 -0.60 -4.39 118.94 117.15 3ila s TRP 200 Ca 0.33 -0.41 0.02 0.00 0.02 0.00 0.00 56.10 56.06 3ila s TRP 200 Cb -0.18 -1.33 0.00 0.00 -1.15 0.00 0.00 33.47 30.82 3ila s TRP 200 CO 0.17 0.10 -0.20 -0.80 0.02 0.00 0.00 176.95 176.25 3ila s ASN 201 N -1.16 3.32 -0.48 2.95 0.01 0.12 -0.33 114.94 119.38 3ila s ASN 201 Ca 0.11 -0.55 -0.13 0.00 -0.71 0.00 0.00 52.86 51.57 3ila s ASN 201 Cb -0.10 -1.49 0.09 0.00 0.41 0.00 0.00 41.25 40.17 3ila s ASN 201 CO 0.02 0.09 0.38 -0.04 -1.51 0.00 0.00 177.10 176.04 3ila s MET 202 N 0.78 2.83 -0.09 -0.60 -1.94 -1.26 -0.53 119.30 118.49 3ila s MET 202 Ca -0.07 -1.51 0.01 0.00 -1.71 0.00 0.00 55.69 52.41 3ila s MET 202 Cb -0.16 -4.06 -0.02 0.00 2.01 0.00 0.00 34.83 32.59 3ila s MET 202 CO -0.00 -1.10 -0.10 -0.80 -0.01 0.00 0.00 175.02 173.01 3ila s ASN 203 N 2.73 4.37 0.00 3.03 0.01 -0.72 -4.23 114.94 120.13 3ila s ASN 203 Ca 0.04 -0.15 0.13 0.00 -0.71 0.00 0.00 52.86 52.17 3ila s ASN 203 Cb -0.26 -1.29 0.80 0.00 0.41 0.00 0.00 41.25 40.91 3ila s ASN 203 CO 0.04 0.28 1.22 -2.65 -1.51 0.00 0.00 177.10 174.48