#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 2.08 -0.04 1.08 0.08 -1.26 -2.51 117.98 117.41 3ila s PHE 13 Ca 0.00 -0.59 -0.29 0.00 0.12 0.00 0.00 56.93 56.17 3ila s PHE 13 Cb 0.00 -1.13 -0.03 0.00 -0.57 0.00 0.00 43.02 41.29 3ila s PHE 13 CO 0.00 0.42 0.95 -0.51 -0.10 0.00 0.00 175.22 175.98 3ila s LEU 14 N -3.48 4.33 0.38 -0.37 1.43 0.12 -4.65 118.68 116.43 3ila s LEU 14 Ca 0.29 1.56 0.08 0.00 -1.03 0.00 0.00 54.13 55.03 3ila s LEU 14 Cb 0.02 -3.50 -0.06 0.00 0.03 0.00 0.00 46.19 42.68 3ila s LEU 14 CO 0.13 -0.30 0.04 -0.13 0.23 0.00 0.00 176.35 176.32 3ila s ARG 15 N 1.29 2.04 0.75 1.70 0.52 -1.26 -0.54 118.95 123.45 3ila s ARG 15 Ca 0.49 -1.90 -0.11 0.00 -0.52 0.00 0.00 55.73 53.69 3ila s ARG 15 Cb -0.20 -1.83 0.05 0.00 0.52 0.00 0.00 34.95 33.49 3ila s ARG 15 CO 0.24 0.03 1.09 0.95 0.02 0.00 0.00 175.30 177.63 3ila s THR 16 N -2.60 3.34 0.00 0.02 -4.23 0.18 -3.28 115.64 109.07 3ila s THR 16 Ca 0.36 0.46 0.00 0.00 -1.18 0.00 0.00 61.69 61.33 3ila s THR 16 Cb 0.04 -2.96 0.00 0.00 1.34 0.00 0.00 72.50 70.92 3ila s THR 16 CO 0.19 -0.54 0.00 0.47 -0.54 0.00 0.00 174.62 174.20 3ila n ASP 17 N -3.34 -2.48 -4.75 3.99 9.92 0.40 -4.46 116.55 115.83 3ila n ASP 17 Ca 0.09 0.00 -0.40 0.00 -0.53 0.00 0.00 54.79 53.95 3ila n ASP 17 Cb 0.53 -1.95 -0.05 0.00 -0.64 0.00 0.00 41.12 39.01 3ila n ASP 17 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 3ila s ASP 18 N -2.19 7.36 -0.28 -2.24 1.11 -1.20 -4.82 116.67 114.41 3ila s ASP 18 Ca 0.00 2.13 -0.18 0.00 0.18 0.00 0.00 52.55 54.68 3ila s ASP 18 Cb 0.00 -2.61 -0.02 0.00 1.07 0.00 0.00 42.92 41.35 3ila s ASP 18 CO 0.00 -0.10 0.52 -1.61 1.18 0.00 0.00 175.17 175.16 3ila s GLU 19 N -1.00 3.98 0.18 8.23 2.02 -1.26 -2.06 118.70 128.79 3ila s GLU 19 Ca 0.45 0.24 0.07 0.00 0.02 0.00 0.00 54.97 55.75 3ila s GLU 19 Cb -0.30 -3.68 -0.04 0.00 0.10 0.00 0.00 34.13 30.21 3ila s GLU 19 CO 0.37 -0.42 -0.14 0.14 0.02 0.00 0.00 175.26 175.23 3ila s VAL 20 N 2.35 1.61 -0.13 2.63 -7.23 0.12 -4.35 120.40 115.40 3ila s VAL 20 Ca 0.21 -2.07 0.03 0.00 -1.81 0.00 0.00 61.98 58.34 3ila s VAL 20 Cb -0.16 -1.90 0.00 0.00 0.56 0.00 0.00 36.38 34.88 3ila s VAL 20 CO 0.10 -0.54 -0.21 0.68 -0.31 0.00 0.00 175.10 174.82 3ila s VAL 21 N -2.74 2.20 -0.43 1.32 -7.23 -0.73 0.36 120.40 113.16 3ila s VAL 21 Ca 0.18 -0.94 -0.28 0.00 -1.81 0.00 0.00 61.98 59.13 3ila s VAL 21 Cb -0.02 -1.88 0.03 0.00 0.56 0.00 0.00 36.38 35.07 3ila s VAL 21 CO 0.05 0.55 1.07 -0.76 -0.31 0.00 0.00 175.10 175.70 3ila s LEU 22 N 0.63 3.78 0.05 1.32 1.02 -1.26 -2.67 118.68 121.55 3ila s LEU 22 Ca -0.11 0.54 0.09 0.00 0.02 0.00 0.00 54.13 54.67 3ila s LEU 22 Cb -0.16 -3.47 -0.03 0.00 0.02 0.00 0.00 46.19 42.55 3ila s LEU 22 CO 0.02 -1.11 -0.26 -1.10 0.02 0.00 0.00 176.35 173.92 3ila s GLN 23 N 4.10 1.80 0.32 1.70 -0.21 -0.19 0.28 119.66 127.47 3ila s GLN 23 Ca 0.45 -1.11 0.06 0.00 0.02 0.00 0.00 55.36 54.77 3ila s GLN 23 Cb -0.09 -1.99 -0.03 0.00 1.00 0.00 0.00 33.01 31.90 3ila s GLN 23 CO 0.27 0.51 0.24 0.00 -2.12 0.00 0.00 175.29 174.18 3ila s SER 25 N -3.37 -0.07 0.03 0.00 0.01 -1.26 -0.10 113.70 108.95 3ila s SER 25 Ca 0.39 0.13 0.03 0.00 1.31 0.00 0.00 55.95 57.81 3ila s SER 25 Cb 0.03 0.13 -0.02 0.00 0.21 0.00 0.00 66.02 66.37 3ila s SER 25 CO 0.24 -0.03 -0.09 0.00 0.41 0.00 0.00 173.24 173.77 3ila s ALA 26 N 0.10 0.69 -0.22 1.44 0.00 -0.83 -4.99 121.76 117.94 3ila s ALA 26 Ca -0.01 -0.68 -0.17 0.00 0.00 0.00 0.00 51.96 51.10 3ila s ALA 26 Cb -0.01 -0.04 -0.03 0.00 0.00 0.00 0.00 23.12 23.04 3ila s ALA 26 CO -0.00 0.06 0.48 0.99 0.00 0.00 0.00 175.76 177.29 3ila s THR 27 N -1.02 5.12 -0.16 0.00 2.01 -1.26 -1.53 115.64 118.79 3ila s THR 27 Ca -0.05 0.85 -0.16 0.00 0.31 0.00 0.00 61.69 62.64 3ila s THR 27 Cb -0.08 -3.80 -0.06 0.00 0.01 0.00 0.00 72.50 68.57 3ila s THR 27 CO 0.01 0.17 -0.32 1.33 -0.69 0.00 0.00 174.62 175.11 3ila n VAL 28 N 4.70 1.47 0.00 3.82 0.24 -1.26 -5.01 118.33 122.28 3ila n VAL 28 Ca -0.06 0.11 0.00 0.00 -2.04 0.00 0.00 64.34 62.36 3ila n VAL 28 Cb 0.50 -2.24 0.00 0.00 -1.47 0.00 0.00 33.84 30.63 3ila n VAL 28 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3ila n LEU 29 N -4.35 0.45 -1.62 1.34 4.77 -1.26 -5.13 117.00 111.20 3ila n LEU 29 Ca -0.16 0.49 0.00 0.00 -0.03 0.00 0.00 56.01 56.30 3ila n LEU 29 Cb 0.51 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 3ila n LEU 29 CO 0.18 -0.41 -0.31 -1.84 -1.33 0.00 0.00 177.39 173.67 3ila n GLU 31 N -1.74 -3.29 -3.50 3.23 0.28 -1.26 -5.17 120.64 109.18 3ila n GLU 31 Ca 0.00 2.42 -0.42 0.00 -0.16 0.00 0.00 57.16 58.99 3ila n GLU 31 Cb 0.00 -2.88 -0.09 0.00 1.43 0.00 0.00 31.44 29.90 3ila n GLU 31 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 177.13 176.32 3ila s GLN 32 N -2.57 2.85 0.10 3.44 1.11 -1.26 -4.43 119.66 118.91 3ila s GLN 32 Ca 0.00 -1.24 -0.21 0.00 0.01 0.00 0.00 55.36 53.91 3ila s GLN 32 Cb 0.00 -3.92 -0.07 0.00 -1.01 0.00 0.00 33.01 28.01 3ila s GLN 32 CO 0.00 -0.88 0.64 -0.51 0.01 0.00 0.00 175.29 174.55 3ila s LEU 33 N 1.58 4.55 -0.26 2.90 2.01 -0.58 -4.91 118.68 123.96 3ila s LEU 33 Ca 0.03 1.39 -0.11 0.00 0.01 0.00 0.00 54.13 55.45 3ila s LEU 33 Cb -0.22 -3.03 -0.05 0.00 0.01 0.00 0.00 46.19 42.91 3ila s LEU 33 CO 0.06 0.25 0.19 -0.54 1.01 0.00 0.00 176.35 177.32 3ila s LYS 34 N -1.12 4.00 -0.12 1.70 1.02 -1.26 -1.96 119.74 122.00 3ila s LYS 34 Ca 0.31 -0.28 0.03 0.00 0.02 0.00 0.00 55.97 56.05 3ila s LYS 34 Cb -0.21 -3.61 0.01 0.00 -0.52 0.00 0.00 37.83 33.50 3ila s LYS 34 CO 0.21 -0.08 -0.22 -0.51 -0.92 0.00 0.00 175.35 173.83 3ila s LEU 35 N 1.48 2.06 -0.07 3.17 1.43 0.85 -1.78 118.68 125.82 3ila s LEU 35 Ca 0.08 -0.57 0.03 0.00 -1.03 0.00 0.00 54.13 52.64 3ila s LEU 35 Cb -0.15 -1.39 -0.02 0.00 0.03 0.00 0.00 46.19 44.66 3ila s LEU 35 CO 0.08 0.10 -0.14 0.00 0.23 0.00 0.00 176.35 176.62 3ila s LEU 37 N -0.45 4.40 0.10 0.00 2.96 0.14 -1.48 118.68 124.36 3ila s LEU 37 Ca 0.06 2.55 0.08 0.00 -0.22 0.00 0.00 54.13 56.60 3ila s LEU 37 Cb -0.12 -3.53 -0.03 0.00 0.50 0.00 0.00 46.19 43.00 3ila s LEU 37 CO 0.02 -1.01 -0.21 0.00 -1.32 0.00 0.00 176.35 173.82 3ila s ALA 38 N 4.19 1.84 0.01 5.97 0.00 -0.60 -4.42 121.76 128.76 3ila s ALA 38 Ca 0.84 -1.25 -0.14 0.00 0.00 0.00 0.00 51.96 51.41 3ila s ALA 38 Cb -0.40 -0.26 0.02 0.00 0.00 0.00 0.00 23.12 22.48 3ila s ALA 38 CO 0.38 0.38 0.29 0.00 0.00 0.00 0.00 175.76 176.80 3ila s ALA 39 N -1.13 -0.68 0.00 0.00 0.00 -1.09 -1.09 121.76 117.76 3ila s ALA 39 Ca 0.07 0.12 0.00 0.00 0.00 0.00 0.00 51.96 52.15 3ila s ALA 39 Cb -0.10 0.19 0.00 0.00 0.00 0.00 0.00 23.12 23.21 3ila s ALA 39 CO 0.04 -0.32 0.00 0.39 0.00 0.00 0.00 175.76 175.87 3ila n GLU 40 N 0.97 1.92 0.00 0.00 1.02 -1.26 -4.73 120.64 118.56 3ila n GLU 40 Ca -0.20 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.94 3ila n GLU 40 Cb 0.57 -0.92 0.00 0.00 -0.02 0.00 0.00 31.44 31.07 3ila n GLU 40 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 3ila n ARG 45 N -2.02 0.00 -1.78 3.49 -4.01 -1.26 -4.95 116.66 106.12 3ila n ARG 45 Ca 0.00 0.00 -0.33 0.00 -1.04 0.00 0.00 57.85 56.48 3ila n ARG 45 Cb 0.42 0.00 0.04 0.00 -3.04 0.00 0.00 32.46 29.89 3ila n ARG 45 CO 0.00 0.00 0.00 -0.51 -3.04 0.00 0.00 177.63 174.08 3ila s LEU 46 N -0.32 3.37 -0.00 2.89 1.43 -1.26 -1.83 118.68 122.96 3ila s LEU 46 Ca 0.00 1.92 -0.23 0.00 -1.03 0.00 0.00 54.13 54.79 3ila s LEU 46 Cb 0.00 -4.54 -0.05 0.00 0.03 0.00 0.00 46.19 41.63 3ila s LEU 46 CO 0.00 -1.54 0.70 0.00 0.23 0.00 0.00 176.35 175.74 3ila n PHE 48 N 3.06 -0.40 -3.87 0.00 1.16 -0.25 -4.48 117.46 112.68 3ila n PHE 48 Ca -0.03 -1.01 -0.27 0.00 -1.87 0.00 0.00 57.45 54.27 3ila n PHE 48 Cb 0.51 -0.17 -0.17 0.00 -1.61 0.00 0.00 39.48 38.04 3ila n PHE 48 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 3ila s LEU 49 N 0.00 1.29 -0.35 5.98 1.43 -1.26 -1.55 118.68 124.22 3ila s LEU 49 Ca 0.07 -0.47 -0.18 0.00 -1.03 0.00 0.00 54.13 52.52 3ila s LEU 49 Cb -0.01 -0.80 -0.00 0.00 0.03 0.00 0.00 46.19 45.41 3ila s LEU 49 CO 0.05 -0.17 0.52 -1.83 0.23 0.00 0.00 176.35 175.15 3ila s GLU 50 N 1.72 3.64 0.81 1.70 4.04 -0.55 -4.89 118.70 125.17 3ila s GLU 50 Ca 0.03 -0.13 -0.11 0.00 0.04 0.00 0.00 54.97 54.80 3ila s GLU 50 Cb -0.14 -3.80 0.08 0.00 0.02 0.00 0.00 34.13 30.28 3ila s GLU 50 CO -0.08 -0.64 1.09 -2.14 -1.84 0.00 0.00 175.26 171.65 3ila s PRO 51 N 2.42 2.00 0.11 -4.83 0.02 -1.26 -1.60 135.00 131.85 3ila s PRO 51 Ca 0.19 0.76 0.08 0.00 0.02 0.00 0.00 61.00 62.05 3ila s PRO 51 Cb -0.15 -1.90 -0.04 0.00 0.02 0.00 0.00 34.50 32.43 3ila s PRO 51 CO 0.13 -1.71 -0.11 0.95 -0.33 0.00 0.00 177.00 175.92 3ila s THR 52 N -3.07 3.26 -0.19 0.99 -4.23 -0.73 -4.81 115.64 106.86 3ila s THR 52 Ca 0.61 -1.33 -0.22 0.00 -1.18 0.00 0.00 61.69 59.57 3ila s THR 52 Cb -0.15 -2.53 -0.19 0.00 1.34 0.00 0.00 72.50 70.97 3ila s THR 52 CO 0.55 0.10 0.27 0.77 -0.54 0.00 0.00 174.62 175.77 3ila h SER 53 N 3.59 0.00 -4.39 3.99 4.64 -1.98 -3.43 113.55 115.97 3ila h SER 53 Ca -0.49 -0.54 0.00 0.00 -0.47 0.00 0.00 61.79 60.29 3ila h SER 53 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 3ila h SER 53 CO 0.51 1.35 0.00 -0.81 -0.87 0.00 0.00 176.83 177.01 3ila n PRO 60 N -4.48 0.00 -3.68 4.77 -0.04 -1.26 -5.01 135.00 125.29 3ila n PRO 60 Ca -0.26 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.10 3ila n PRO 60 Cb 0.61 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.96 3ila n PRO 60 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 3ila s ASP 61 N 0.00 -0.38 0.41 3.54 1.47 -1.26 -5.04 116.67 115.40 3ila s ASP 61 Ca 0.00 0.90 0.22 0.00 1.18 0.00 0.00 52.55 54.86 3ila s ASP 61 Cb 0.00 0.95 0.69 0.00 -0.34 0.00 0.00 42.92 44.22 3ila s ASP 61 CO 0.00 -0.21 1.73 0.17 0.68 0.00 0.00 175.17 177.54 3ila h LEU 62 N 7.52 0.00 -1.01 2.11 -0.00 -2.02 -3.26 115.31 118.66 3ila h LEU 62 Ca -0.29 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.58 3ila h LEU 62 Cb 1.16 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 41.77 3ila h LEU 62 CO 0.23 0.27 0.47 0.00 -0.00 0.00 0.00 178.44 179.41 3ila h ALA 63 N 1.73 1.25 0.00 0.17 0.00 -1.96 -1.32 119.26 119.13 3ila h ALA 63 Ca -0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3ila h ALA 63 Cb 0.90 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3ila h ALA 63 CO 0.03 0.62 -0.63 -0.84 0.00 0.00 0.00 179.25 178.44 3ila h ILE 64 N 1.17 0.00 0.00 0.00 -0.00 -1.85 -3.35 117.51 113.48 3ila h ILE 64 Ca 0.30 -0.93 0.00 0.00 -0.00 0.00 0.00 64.86 64.22 3ila h ILE 64 Cb 0.01 1.61 0.00 0.00 -0.00 0.00 0.00 36.82 38.44 3ila h ILE 64 CO -0.05 0.00 -0.82 0.00 -0.00 0.00 0.00 178.15 177.28 3ila s PHE 67 N 1.70 2.24 -0.17 0.00 0.08 0.16 -2.35 117.98 119.64 3ila s PHE 67 Ca 0.55 -0.38 -0.01 0.00 0.12 0.00 0.00 56.93 57.20 3ila s PHE 67 Cb -0.24 -1.18 -0.01 0.00 -0.57 0.00 0.00 43.02 41.02 3ila s PHE 67 CO 0.24 0.37 -0.10 0.95 -0.10 0.00 0.00 175.22 176.58 3ila s THR 68 N -1.29 3.09 -1.05 0.64 -4.23 0.18 0.16 115.64 113.15 3ila s THR 68 Ca 0.15 -0.62 -0.23 0.00 -1.18 0.00 0.00 61.69 59.81 3ila s THR 68 Cb -0.09 -2.34 -0.01 0.00 1.34 0.00 0.00 72.50 71.40 3ila s THR 68 CO 0.07 0.49 1.76 -0.76 -0.54 0.00 0.00 174.62 175.64 3ila s LEU 69 N 0.83 3.35 -0.01 4.79 1.43 -0.87 -0.54 118.68 127.65 3ila s LEU 69 Ca -0.03 -1.37 -0.22 0.00 -1.03 0.00 0.00 54.13 51.48 3ila s LEU 69 Cb -0.15 -2.57 -0.20 0.00 0.03 0.00 0.00 46.19 43.30 3ila s LEU 69 CO 0.01 -2.19 1.16 -0.08 0.23 0.00 0.00 176.35 175.48 3ila h GLU 70 N 9.97 0.27 -3.30 1.70 4.81 -1.48 1.17 114.58 127.73 3ila h GLU 70 Ca 0.20 -0.22 -0.17 0.00 -0.13 0.00 0.00 59.36 59.04 3ila h GLU 70 Cb 0.97 0.05 -0.25 0.00 0.63 0.00 0.00 28.75 30.15 3ila h GLU 70 CO 1.32 0.88 -0.48 -1.14 -0.73 0.00 0.00 179.01 178.85 3ila s GLN 71 N -3.59 0.30 -0.06 1.92 0.74 -1.25 -4.47 119.66 113.25 3ila s GLN 71 Ca -0.15 0.12 0.03 0.00 0.05 0.00 0.00 55.36 55.42 3ila s GLN 71 Cb 0.03 0.14 0.00 0.00 1.10 0.00 0.00 33.01 34.28 3ila s GLN 71 CO 0.76 -0.05 -0.16 0.45 -0.55 0.00 0.00 175.29 175.74 3ila s SER 72 N -0.25 2.08 0.04 6.67 0.15 -1.26 -1.24 113.70 119.90 3ila s SER 72 Ca -0.03 -0.35 0.01 0.00 0.70 0.00 0.00 55.95 56.27 3ila s SER 72 Cb -0.03 -0.78 -0.03 0.00 -1.71 0.00 0.00 66.02 63.48 3ila s SER 72 CO 0.01 0.10 -0.05 -0.76 1.20 0.00 0.00 173.24 173.74 3ila s LEU 73 N 0.33 2.34 0.76 3.45 1.43 -0.20 -4.98 118.68 121.81 3ila s LEU 73 Ca -0.10 -0.71 -0.11 0.00 -1.03 0.00 0.00 54.13 52.18 3ila s LEU 73 Cb -0.14 0.03 0.05 0.00 0.03 0.00 0.00 46.19 46.16 3ila s LEU 73 CO 0.04 -0.37 1.09 -0.94 0.23 0.00 0.00 176.35 176.40 3ila s SER 74 N -2.08 4.82 0.16 2.29 1.04 -1.26 0.86 113.70 119.54 3ila s SER 74 Ca -0.05 1.30 -0.17 0.00 0.48 0.00 0.00 55.95 57.51 3ila s SER 74 Cb -0.03 -2.07 0.08 0.00 0.10 0.00 0.00 66.02 64.10 3ila s SER 74 CO -0.03 -1.76 1.67 0.58 0.98 0.00 0.00 173.24 174.68 3ila h VAL 75 N -0.94 0.62 -0.32 5.02 2.07 -1.94 -0.51 116.25 120.24 3ila h VAL 75 Ca -0.46 -0.00 -0.13 0.00 0.82 0.00 0.00 66.70 66.93 3ila h VAL 75 Cb 1.26 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 3ila h VAL 75 CO 0.60 0.00 -0.33 0.03 0.02 0.00 0.00 177.57 177.89 3ila h ARG 76 N 0.00 0.70 -0.26 1.57 -0.00 -1.98 -1.08 114.38 113.33 3ila h ARG 76 Ca 0.18 -0.33 -0.09 0.00 -0.50 0.00 0.00 59.98 59.25 3ila h ARG 76 Cb 0.28 -0.01 -0.01 0.00 0.00 0.00 0.00 29.97 30.22 3ila h ARG 76 CO -0.39 0.93 -0.23 0.00 0.00 0.00 0.00 179.97 180.28 3ila h ALA 77 N 1.04 1.13 -0.12 0.04 0.00 -1.83 -1.62 119.26 117.91 3ila h ALA 77 Ca 0.06 -0.33 -0.14 0.00 0.00 0.00 0.00 54.91 54.50 3ila h ALA 77 Cb 0.84 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.52 3ila h ALA 77 CO 0.07 0.55 -0.48 1.25 0.00 0.00 0.00 179.25 180.63 3ila h LEU 78 N 0.43 0.62 -1.34 0.00 5.85 -0.99 -3.07 115.31 116.81 3ila h LEU 78 Ca 0.07 -0.63 -0.04 0.00 0.84 0.00 0.00 57.88 58.11 3ila h LEU 78 Cb 0.64 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 3ila h LEU 78 CO 0.05 1.15 -0.03 1.56 -0.34 0.00 0.00 178.44 180.83 3ila h GLN 79 N 0.14 0.41 -0.00 1.25 7.50 -1.01 -2.14 115.11 121.25 3ila h GLN 79 Ca -0.03 -0.08 -0.14 0.00 0.50 0.00 0.00 58.65 58.90 3ila h GLN 79 Cb 1.12 -0.06 0.01 0.00 0.05 0.00 0.00 27.48 28.60 3ila h GLN 79 CO 0.10 0.46 -0.56 1.49 -1.50 0.00 0.00 178.83 178.82 3ila h GLU 80 N 0.39 0.38 0.00 1.46 4.81 -1.39 -3.04 114.58 117.20 3ila h GLU 80 Ca 0.09 -0.41 -0.10 0.00 -0.13 0.00 0.00 59.36 58.81 3ila h GLU 80 Cb 0.31 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 3ila h GLU 80 CO 0.01 1.08 -0.46 0.00 -0.73 0.00 0.00 179.01 178.91 3ila h MET 81 N -0.15 0.00 0.00 1.92 -0.00 -1.43 -1.38 114.93 113.89 3ila h MET 81 Ca -0.07 0.00 -0.15 0.00 -0.00 0.00 0.00 59.70 59.48 3ila h MET 81 Cb 1.28 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 32.85 3ila h MET 81 CO 0.11 0.46 -0.74 -0.07 -0.00 0.00 0.00 176.91 176.67 3ila h LEU 82 N 0.00 0.00 -0.44 -0.10 3.38 -1.51 -3.13 115.31 113.51 3ila h LEU 82 Ca -0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 3ila h LEU 82 Cb 1.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 3ila h LEU 82 CO 0.06 0.74 -0.32 0.00 0.09 0.00 0.00 178.44 179.00 3ila h ALA 83 N 1.26 0.85 -2.49 1.53 0.00 -1.33 -3.38 119.26 115.71 3ila h ALA 83 Ca -0.01 -0.30 -0.77 0.00 0.00 0.00 0.00 54.91 53.84 3ila h ALA 83 Cb 1.33 -0.05 -0.24 0.00 0.00 0.00 0.00 17.79 18.82 3ila h ALA 83 CO 0.10 0.41 0.45 -0.80 0.00 0.00 0.00 179.25 179.40 3ila s ASN 84 N -6.32 6.93 -0.26 0.00 0.01 -0.56 -5.09 114.94 109.65 3ila s ASN 84 Ca 0.03 -2.87 0.00 0.00 -0.71 0.00 0.00 52.86 49.31 3ila s ASN 84 Cb 0.08 -2.26 0.07 0.00 0.41 0.00 0.00 41.25 39.55 3ila s ASN 84 CO 0.69 -0.59 0.01 0.42 -1.51 0.00 0.00 177.10 176.12 3ila s THR 85 N 0.33 1.28 0.00 1.60 -4.23 -1.26 -4.89 115.64 108.46 3ila s THR 85 Ca 0.27 -1.26 0.00 0.00 -1.18 0.00 0.00 61.69 59.51 3ila s THR 85 Cb -0.08 -1.72 0.00 0.00 1.34 0.00 0.00 72.50 72.03 3ila s THR 85 CO -0.08 -0.30 0.00 0.61 -0.54 0.00 0.00 174.62 174.31 3ila n GLY 97 N 4.73 0.59 2.82 3.99 0.00 -1.26 -5.20 105.19 110.86 3ila n GLY 97 Ca -0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.66 3ila n GLY 97 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3ila s HIS 98 N 0.64 2.79 -0.11 1.61 3.76 -1.26 -4.53 115.29 118.18 3ila s HIS 98 Ca 0.00 -2.95 -0.13 0.00 -0.15 0.00 0.00 55.06 51.83 3ila s HIS 98 Cb 0.00 -2.36 -0.05 0.00 1.11 0.00 0.00 32.58 31.29 3ila s HIS 98 CO 0.00 -0.70 0.31 1.03 -0.85 0.00 0.00 174.74 174.53 3ila s ARG 99 N -0.46 4.03 0.17 1.40 0.52 -1.26 -4.71 118.95 118.65 3ila s ARG 99 Ca 0.21 0.17 -0.31 0.00 -0.52 0.00 0.00 55.73 55.27 3ila s ARG 99 Cb -0.16 -3.33 -0.10 0.00 0.52 0.00 0.00 34.95 31.88 3ila s ARG 99 CO -0.07 0.45 1.54 0.99 0.02 0.00 0.00 175.30 178.23 3ila s THR 100 N -0.20 2.65 0.14 0.02 2.01 -1.26 -0.65 115.64 118.35 3ila s THR 100 Ca 0.19 0.47 -0.29 0.00 0.31 0.00 0.00 61.69 62.37 3ila s THR 100 Cb -0.14 -3.30 -0.07 0.00 0.01 0.00 0.00 72.50 69.00 3ila s THR 100 CO 0.07 0.04 0.94 -0.76 -0.69 0.00 0.00 174.62 174.22 3ila s LEU 101 N 0.93 4.54 0.04 4.42 1.02 0.30 -4.94 118.68 124.99 3ila s LEU 101 Ca 0.68 1.81 0.08 0.00 0.02 0.00 0.00 54.13 56.72 3ila s LEU 101 Cb -0.43 -3.56 -0.03 0.00 0.02 0.00 0.00 46.19 42.19 3ila s LEU 101 CO 0.33 0.01 -0.22 -0.76 0.02 0.00 0.00 176.35 175.73 3ila s LEU 102 N -0.34 2.41 0.24 1.79 1.43 -1.26 0.04 118.68 122.99 3ila s LEU 102 Ca 0.44 -0.50 -0.30 0.00 -1.03 0.00 0.00 54.13 52.74 3ila s LEU 102 Cb -0.24 -1.41 -0.10 0.00 0.03 0.00 0.00 46.19 44.47 3ila s LEU 102 CO 0.30 0.26 1.51 -0.31 0.23 0.00 0.00 176.35 178.34 3ila s TYR 103 N -0.87 2.96 0.00 0.29 2.02 -0.11 -2.43 117.35 119.21 3ila s TYR 103 Ca 0.13 0.87 0.00 0.00 -0.37 0.00 0.00 57.07 57.70 3ila s TYR 103 Cb -0.10 -3.91 0.00 0.00 -0.40 0.00 0.00 41.96 37.55 3ila s TYR 103 CO 0.04 -3.09 0.00 0.41 -1.57 0.00 0.00 175.55 171.33 3ila n GLY 104 N 2.55 2.89 3.75 0.71 0.00 -0.38 -2.15 105.19 112.55 3ila n GLY 104 Ca 0.09 -0.74 -0.34 0.00 0.00 0.00 0.00 46.02 45.03 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 -1.08 2.38 -0.10 1.61 3.76 -1.02 -4.53 115.29 116.31 3ila s HIS 105 Ca 0.00 1.57 -0.09 0.00 -0.15 0.00 0.00 55.06 56.39 3ila s HIS 105 Cb 0.00 -3.31 -0.04 0.00 1.11 0.00 0.00 32.58 30.33 3ila s HIS 105 CO 0.00 -2.07 0.20 0.00 -0.85 0.00 0.00 174.74 172.01 3ila s ALA 106 N -2.12 3.83 0.30 -1.40 0.00 0.25 -2.24 121.76 120.38 3ila s ALA 106 Ca 0.71 -0.55 0.09 0.00 0.00 0.00 0.00 51.96 52.20 3ila s ALA 106 Cb -0.25 -2.07 -0.04 0.00 0.00 0.00 0.00 23.12 20.76 3ila s ALA 106 CO 0.42 0.56 0.05 0.96 0.00 0.00 0.00 175.76 177.74 3ila s ILE 107 N -0.95 3.22 -0.24 0.00 -4.36 0.50 -1.03 121.20 118.35 3ila s ILE 107 Ca 0.16 -1.85 0.01 0.00 -0.26 0.00 0.00 60.65 58.72 3ila s ILE 107 Cb -0.13 -2.89 0.06 0.00 1.25 0.00 0.00 42.46 40.75 3ila s ILE 107 CO 0.06 -0.29 -0.07 -0.22 0.24 0.00 0.00 174.94 174.65 3ila s LEU 108 N -3.74 2.75 -0.42 0.37 2.96 -0.37 -1.87 118.68 118.36 3ila s LEU 108 Ca 0.34 -1.19 -0.16 0.00 -0.22 0.00 0.00 54.13 52.89 3ila s LEU 108 Cb -0.04 -1.28 0.02 0.00 0.50 0.00 0.00 46.19 45.39 3ila s LEU 108 CO 0.21 -0.21 0.38 -0.76 -1.32 0.00 0.00 176.35 174.65 3ila s LEU 109 N 1.32 4.99 -0.26 -0.68 1.43 -1.26 -1.17 118.68 123.05 3ila s LEU 109 Ca -0.06 -0.79 -0.12 0.00 -1.03 0.00 0.00 54.13 52.13 3ila s LEU 109 Cb -0.19 -2.29 -0.05 0.00 0.03 0.00 0.00 46.19 43.70 3ila s LEU 109 CO -0.06 -0.53 0.22 -0.60 0.23 0.00 0.00 176.35 175.61 3ila s ARG 110 N 1.94 4.00 -0.32 1.70 3.52 0.30 -1.60 118.95 128.49 3ila s ARG 110 Ca 0.09 -0.22 -0.28 0.00 -0.13 0.00 0.00 55.73 55.19 3ila s ARG 110 Cb -0.18 -3.62 -0.03 0.00 -1.56 0.00 0.00 34.95 29.56 3ila s ARG 110 CO 0.12 -0.13 1.90 -1.58 -0.81 0.00 0.00 175.30 174.80 3ila s HIS 111 N 1.61 1.65 0.41 5.12 5.65 0.14 0.51 115.29 130.38 3ila s HIS 111 Ca 0.09 0.63 0.07 0.00 0.25 0.00 0.00 55.06 56.11 3ila s HIS 111 Cb -0.15 -4.07 0.87 0.00 -1.18 0.00 0.00 32.58 28.04 3ila s HIS 111 CO 0.09 -3.15 2.05 0.00 -0.65 0.00 0.00 174.74 173.08 3ila h ALA 112 N 13.54 1.73 0.02 1.58 0.00 -1.76 0.14 119.26 134.51 3ila h ALA 112 Ca -0.35 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.53 3ila h ALA 112 Cb 1.18 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3ila h ALA 112 CO 1.03 0.25 -0.01 1.25 0.00 0.00 0.00 179.25 181.76 3ila h HIS 113 N 0.55 -0.03 0.00 0.00 -0.00 -1.80 -3.34 115.15 110.53 3ila h HIS 113 Ca 0.16 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.53 3ila h HIS 113 Cb -0.02 0.01 0.00 0.00 -0.00 0.00 0.00 27.41 27.40 3ila h HIS 113 CO -0.00 0.67 -0.34 -1.13 -0.00 0.00 0.00 177.93 177.13 3ila n SER 114 N -4.75 0.38 -0.01 3.26 3.41 -1.16 -4.92 113.62 109.84 3ila n SER 114 Ca -0.09 0.05 -0.00 0.00 -0.26 0.00 0.00 58.87 58.57 3ila n SER 114 Cb 0.35 -0.03 -0.00 0.00 -0.26 0.00 0.00 64.21 64.27 3ila n SER 114 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3ila n ARG 115 N -1.59 -1.80 -2.65 4.33 5.12 0.49 -4.98 116.66 115.57 3ila n ARG 115 Ca 0.06 0.45 -0.22 0.00 -1.93 0.00 0.00 57.85 56.21 3ila n ARG 115 Cb 0.35 -4.81 0.07 0.00 -1.16 0.00 0.00 32.46 26.91 3ila n ARG 115 CO 0.00 0.00 0.00 -1.64 -1.93 0.00 0.00 177.63 174.06 3ila s MET 116 N -1.81 2.15 -0.01 5.56 -1.94 -1.21 -4.83 119.30 117.21 3ila s MET 116 Ca 0.00 -1.00 0.07 0.00 -1.71 0.00 0.00 55.69 53.05 3ila s MET 116 Cb 0.00 -2.44 -0.02 0.00 2.01 0.00 0.00 34.83 34.38 3ila s MET 116 CO 0.00 -1.04 -0.22 0.71 -0.01 0.00 0.00 175.02 174.46 3ila s TYR 117 N -2.91 2.45 -0.02 -0.03 2.02 -0.03 0.23 117.35 119.05 3ila s TYR 117 Ca 0.62 -0.34 -0.30 0.00 -0.37 0.00 0.00 57.07 56.67 3ila s TYR 117 Cb -0.08 -1.51 -0.05 0.00 -0.40 0.00 0.00 41.96 39.91 3ila s TYR 117 CO 0.41 0.07 1.48 -1.17 -1.57 0.00 0.00 175.55 174.77 3ila s LEU 118 N -0.81 4.31 0.19 -1.29 2.96 -0.63 -0.24 118.68 123.16 3ila s LEU 118 Ca 0.11 2.14 0.01 0.00 -0.22 0.00 0.00 54.13 56.17 3ila s LEU 118 Cb -0.10 -3.55 -0.05 0.00 0.50 0.00 0.00 46.19 42.99 3ila s LEU 118 CO 0.00 -0.80 0.04 -0.94 -1.32 0.00 0.00 176.35 173.34 3ila s SER 119 N 2.32 1.02 -0.50 3.68 1.04 -0.83 -4.35 113.70 116.09 3ila s SER 119 Ca 0.66 -1.23 -0.14 0.00 0.48 0.00 0.00 55.95 55.72 3ila s SER 119 Cb -0.32 0.17 0.11 0.00 0.10 0.00 0.00 66.02 66.08 3ila s SER 119 CO 0.27 -0.64 0.43 0.00 0.98 0.00 0.00 173.24 174.27 3ila s LEU 121 N 1.56 3.01 0.31 0.00 1.43 -0.63 -4.83 118.68 119.52 3ila s LEU 121 Ca 0.04 1.72 0.16 0.00 -1.03 0.00 0.00 54.13 55.03 3ila s LEU 121 Cb -0.27 -4.46 0.17 0.00 0.03 0.00 0.00 46.19 41.66 3ila s LEU 121 CO 0.03 -1.88 1.50 0.71 0.23 0.00 0.00 176.35 176.94 3ila h THR 122 N -1.02 0.77 -2.93 5.49 1.35 -1.98 -3.40 112.91 111.19 3ila h THR 122 Ca -0.44 -2.01 -0.53 0.00 -0.55 0.00 0.00 66.41 62.87 3ila h THR 122 Cb 1.23 2.32 0.02 0.00 -1.73 0.00 0.00 68.15 69.99 3ila h THR 122 CO 0.53 0.43 0.79 0.42 -0.25 0.00 0.00 175.52 177.45 3ila s THR 123 N -3.06 3.32 1.19 6.82 -4.23 -1.26 -4.95 115.64 113.47 3ila s THR 123 Ca 0.04 0.88 -0.20 0.00 -1.18 0.00 0.00 61.69 61.23 3ila s THR 123 Cb 0.08 -3.57 0.30 0.00 1.34 0.00 0.00 72.50 70.65 3ila s THR 123 CO 0.73 0.04 1.02 -1.20 -0.54 0.00 0.00 174.62 174.67 3ila n SER 124 N 4.49 -2.22 0.11 3.99 7.64 -1.26 -2.36 113.62 124.00 3ila n SER 124 Ca 0.13 -1.11 0.02 0.00 1.01 0.00 0.00 58.87 58.91 3ila n SER 124 Cb 0.42 -0.96 0.11 0.00 -1.01 0.00 0.00 64.21 62.78 3ila n SER 124 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 3ila n LEU 131 N 0.00 0.11 -4.81 -3.43 -0.00 -1.26 -4.65 117.00 102.95 3ila n LEU 131 Ca 0.14 0.31 -0.31 0.00 -0.00 0.00 0.00 56.01 56.15 3ila n LEU 131 Cb 0.56 -0.20 0.06 0.00 -0.00 0.00 0.00 43.42 43.85 3ila n LEU 131 CO 0.39 -0.34 0.71 0.00 -0.00 0.00 0.00 177.39 178.14 3ila s ALA 132 N -2.86 2.54 0.03 1.96 0.00 -1.26 -4.81 121.76 117.36 3ila s ALA 132 Ca -0.00 0.01 0.07 0.00 0.00 0.00 0.00 51.96 52.04 3ila s ALA 132 Cb 0.01 -3.16 -0.02 0.00 0.00 0.00 0.00 23.12 19.95 3ila s ALA 132 CO 0.04 -1.39 -0.21 -0.06 0.00 0.00 0.00 175.76 174.14 3ila s PHE 133 N -3.07 1.89 0.20 0.00 0.08 0.10 -4.91 117.98 112.27 3ila s PHE 133 Ca 0.59 -0.38 -0.30 0.00 0.12 0.00 0.00 56.93 56.96 3ila s PHE 133 Cb -0.14 -1.14 -0.08 0.00 -0.57 0.00 0.00 43.02 41.08 3ila s PHE 133 CO 0.55 0.07 1.23 -0.51 -0.10 0.00 0.00 175.22 176.46 3ila s ASP 134 N -1.06 7.03 -0.20 1.36 1.01 -1.00 -0.00 116.67 123.81 3ila s ASP 134 Ca 0.08 2.30 -0.07 0.00 0.71 0.00 0.00 52.55 55.58 3ila s ASP 134 Cb -0.09 -2.61 -0.03 0.00 1.01 0.00 0.00 42.92 41.20 3ila s ASP 134 CO 0.01 -0.41 0.05 -0.69 0.21 0.00 0.00 175.17 174.34 3ila s VAL 135 N -0.10 4.43 0.30 -1.27 1.01 -1.26 -1.61 120.40 121.90 3ila s VAL 135 Ca 0.53 -0.15 -0.01 0.00 0.00 0.00 0.00 61.98 62.35 3ila s VAL 135 Cb -0.34 -3.01 0.01 0.00 0.00 0.00 0.00 36.38 33.03 3ila s VAL 135 CO 0.38 0.42 0.42 0.61 0.00 0.00 0.00 175.10 176.93 3ila n GLY 136 N 4.05 2.27 3.86 4.51 0.00 -1.18 -1.01 105.19 117.69 3ila n GLY 136 Ca -0.17 -1.59 -0.31 0.00 0.00 0.00 0.00 46.02 43.95 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 3.76 -0.05 0.99 1.43 -0.76 -1.96 118.68 122.09 3ila s LEU 137 Ca 0.25 1.33 -0.01 0.00 -1.03 0.00 0.00 54.13 54.68 3ila s LEU 137 Cb -0.01 -4.23 0.03 0.00 0.03 0.00 0.00 46.19 42.01 3ila s LEU 137 CO 0.18 -0.46 0.01 -1.58 0.23 0.00 0.00 176.35 174.73 3ila s GLN 138 N -3.87 0.41 0.19 1.70 0.74 0.66 -4.51 119.66 114.98 3ila s GLN 138 Ca 0.55 0.14 -0.10 0.00 0.05 0.00 0.00 55.36 56.00 3ila s GLN 138 Cb -0.10 -0.75 0.11 0.00 1.10 0.00 0.00 33.01 33.37 3ila s GLN 138 CO 0.30 -0.25 1.74 0.93 -0.55 0.00 0.00 175.29 177.46 3ila h GLU 139 N 8.02 1.05 -6.52 1.67 5.08 -1.95 -0.03 114.58 121.90 3ila h GLU 139 Ca -0.25 -0.21 -0.52 0.00 -1.00 0.00 0.00 59.36 57.38 3ila h GLU 139 Cb 1.13 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 30.20 3ila h GLU 139 CO 0.30 0.89 0.39 0.34 -1.00 0.00 0.00 179.01 179.93 3ila s ASP 140 N -6.28 7.41 0.00 1.42 -1.08 -1.26 -4.83 116.67 112.06 3ila s ASP 140 Ca -0.12 1.79 0.25 0.00 -0.52 0.00 0.00 52.55 53.95 3ila s ASP 140 Cb 0.14 -2.58 0.52 0.00 -1.46 0.00 0.00 42.92 39.53 3ila s ASP 140 CO 0.82 -0.16 1.42 0.00 0.52 0.00 0.00 175.17 177.77 3ila n ALA 141 N 3.16 3.15 -2.54 3.66 0.00 -1.26 -4.82 120.51 121.85 3ila n ALA 141 Ca 0.04 -0.50 -0.27 0.00 0.00 0.00 0.00 53.44 52.71 3ila n ALA 141 Cb 0.49 -1.01 -0.02 0.00 0.00 0.00 0.00 19.45 18.91 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 -2.42 5.04 0.00 0.00 -4.23 -1.26 -4.90 115.64 107.88 3ila s THR 142 Ca 0.24 -0.11 0.00 0.00 -1.18 0.00 0.00 61.69 60.64 3ila s THR 142 Cb 0.19 -3.79 0.00 0.00 1.34 0.00 0.00 72.50 70.24 3ila s THR 142 CO 0.51 -0.47 0.00 0.61 -0.54 0.00 0.00 174.62 174.73 3ila n GLY 143 N -1.39 1.94 0.19 3.99 0.00 -1.26 -4.76 105.19 103.89 3ila n GLY 143 Ca -0.03 -1.96 0.13 0.00 0.00 0.00 0.00 46.02 44.17 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 -0.02 1.61 5.08 -1.96 -3.31 114.58 115.98 3ila h GLU 144 Ca 0.00 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 3ila h GLU 144 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 3ila h GLU 144 CO 0.00 0.00 -0.21 0.00 -1.00 0.00 0.00 179.01 177.80 3ila h ALA 145 N 2.19 1.63 -0.01 3.43 0.00 -1.88 -2.87 119.26 121.75 3ila h ALA 145 Ca 0.00 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.62 3ila h ALA 145 Cb 0.71 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 3ila h ALA 145 CO 0.00 0.28 -0.44 0.00 0.00 0.00 0.00 179.25 179.09 3ila s TRP 147 N -4.03 3.64 -0.05 0.00 0.52 -1.08 -4.38 118.94 113.55 3ila s TRP 147 Ca -0.03 0.88 -0.00 0.00 0.02 0.00 0.00 56.10 56.97 3ila s TRP 147 Cb 0.14 -2.22 0.03 0.00 -1.15 0.00 0.00 33.47 30.27 3ila s TRP 147 CO 0.74 0.57 -0.01 -1.58 0.02 0.00 0.00 176.95 176.69 3ila s TRP 148 N -1.27 0.58 0.13 -1.98 0.52 -0.78 -2.62 118.94 113.51 3ila s TRP 148 Ca 0.29 -0.12 -0.24 0.00 0.02 0.00 0.00 56.10 56.06 3ila s TRP 148 Cb -0.15 -0.66 -0.07 0.00 -1.15 0.00 0.00 33.47 31.44 3ila s TRP 148 CO 0.16 -0.24 0.72 0.95 0.02 0.00 0.00 176.95 178.56 3ila s THR 149 N 1.45 4.50 -0.11 2.01 -4.23 0.73 -0.37 115.64 119.62 3ila s THR 149 Ca -0.03 1.56 -0.14 0.00 -1.18 0.00 0.00 61.69 61.89 3ila s THR 149 Cb -0.13 -4.07 -0.05 0.00 1.34 0.00 0.00 72.50 69.59 3ila s THR 149 CO -0.03 0.52 0.34 -0.04 -0.54 0.00 0.00 174.62 174.88 3ila s MET 150 N -1.05 4.13 0.01 3.99 1.00 -0.95 -0.97 119.30 125.46 3ila s MET 150 Ca 0.34 0.22 0.03 0.00 0.00 0.00 0.00 55.69 56.29 3ila s MET 150 Cb -0.22 -3.36 -0.01 0.00 0.00 0.00 0.00 34.83 31.24 3ila s MET 150 CO 0.24 0.37 -0.11 -1.01 0.00 0.00 0.00 175.02 174.52 3ila s HIS 151 N 0.01 0.95 0.26 -0.03 3.76 0.22 -1.25 115.29 119.20 3ila s HIS 151 Ca 0.20 -0.24 -0.30 0.00 -0.15 0.00 0.00 55.06 54.57 3ila s HIS 151 Cb -0.14 -0.59 -0.11 0.00 1.11 0.00 0.00 32.58 32.84 3ila s HIS 151 CO 0.07 -0.01 1.57 -2.14 -0.85 0.00 0.00 174.74 173.38 3ila s PRO 152 N -0.55 4.17 0.32 8.40 0.02 -1.26 0.04 135.00 146.12 3ila s PRO 152 Ca 0.02 2.50 0.17 0.00 0.02 0.00 0.00 61.00 63.71 3ila s PRO 152 Cb -0.05 -3.06 0.21 0.00 0.02 0.00 0.00 34.50 31.62 3ila s PRO 152 CO 0.00 -0.59 1.52 0.00 -0.33 0.00 0.00 177.00 177.59 3ila h ALA 153 N 5.26 0.76 0.00 -1.55 0.00 -1.88 -3.43 119.26 118.41 3ila h ALA 153 Ca -0.46 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.06 3ila h ALA 153 Cb 1.22 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3ila h ALA 153 CO 0.82 0.53 -0.01 -1.13 0.00 0.00 0.00 179.25 179.46 3ila n SER 154 N -3.25 0.06 -4.25 0.00 3.41 -1.26 -5.06 113.62 103.27 3ila n SER 154 Ca 0.02 0.00 -0.26 0.00 -0.26 0.00 0.00 58.87 58.37 3ila n SER 154 Cb 0.67 0.01 -0.14 0.00 -0.26 0.00 0.00 64.21 64.49 3ila n SER 154 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3ila s SER 158 N -0.07 2.51 -0.31 4.04 0.15 -1.26 -5.28 113.70 113.47 3ila s SER 158 Ca 0.00 -0.50 -0.29 0.00 0.70 0.00 0.00 55.95 55.87 3ila s SER 158 Cb 0.00 -0.22 -0.02 0.00 -1.71 0.00 0.00 66.02 64.07 3ila s SER 158 CO 0.00 0.18 1.68 -0.70 1.20 0.00 0.00 173.24 175.60 3ila s GLU 159 N -1.04 3.51 0.00 5.44 2.56 -1.26 -2.43 118.70 125.48 3ila s GLU 159 Ca 0.08 1.41 0.00 0.00 0.00 0.00 0.00 54.97 56.46 3ila s GLU 159 Cb -0.09 -4.12 0.00 0.00 2.00 0.00 0.00 34.13 31.92 3ila s GLU 159 CO 0.01 -1.64 0.00 0.41 -0.56 0.00 0.00 175.26 173.48 3ila n GLY 160 N 5.15 1.49 3.77 -1.50 0.00 -0.91 -4.99 105.19 108.20 3ila n GLY 160 Ca 0.21 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.93 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 0.00 1.70 0.40 1.61 2.02 -1.02 -4.60 118.70 118.81 3ila s GLU 161 Ca 0.00 0.70 -0.24 0.00 0.02 0.00 0.00 54.97 55.45 3ila s GLU 161 Cb 0.00 -1.87 -0.09 0.00 0.10 0.00 0.00 34.13 32.27 3ila s GLU 161 CO 0.00 -1.91 1.07 0.15 0.02 0.00 0.00 175.26 174.59 3ila s LYS 162 N -5.07 4.13 -0.35 1.61 1.02 -1.26 -0.93 119.74 118.89 3ila s LYS 162 Ca 0.62 1.56 -0.23 0.00 0.02 0.00 0.00 55.97 57.95 3ila s LYS 162 Cb -0.16 -2.55 0.01 0.00 -0.52 0.00 0.00 37.83 34.60 3ila s LYS 162 CO 0.55 -0.18 0.75 0.08 -0.92 0.00 0.00 175.35 175.63 3ila s VAL 163 N -1.62 4.78 0.54 3.17 1.01 0.11 -4.81 120.40 123.58 3ila s VAL 163 Ca 0.58 0.85 -0.16 0.00 0.00 0.00 0.00 61.98 63.25 3ila s VAL 163 Cb -0.23 -4.17 -0.06 0.00 0.00 0.00 0.00 36.38 31.91 3ila s VAL 163 CO 0.29 -0.38 1.01 -0.13 0.00 0.00 0.00 175.10 175.89 3ila s ARG 164 N 2.99 3.73 -0.07 2.72 0.52 -1.26 -0.71 118.95 126.87 3ila s ARG 164 Ca 0.30 1.03 -0.30 0.00 -0.52 0.00 0.00 55.73 56.25 3ila s ARG 164 Cb -0.14 -2.10 -0.05 0.00 0.52 0.00 0.00 34.95 33.19 3ila s ARG 164 CO 0.16 -0.46 1.60 0.08 0.02 0.00 0.00 175.30 176.70 3ila s VAL 165 N -2.58 3.68 0.00 3.52 1.01 -1.04 -2.79 120.40 122.20 3ila s VAL 165 Ca 0.60 0.82 0.00 0.00 0.00 0.00 0.00 61.98 63.40 3ila s VAL 165 Cb -0.12 -3.53 0.00 0.00 0.00 0.00 0.00 36.38 32.73 3ila s VAL 165 CO 0.34 -0.07 0.00 0.61 0.00 0.00 0.00 175.10 175.97 3ila n GLY 166 N 4.06 0.25 3.77 4.51 0.00 -1.26 -5.01 105.19 111.50 3ila n GLY 166 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.30 6.42 -0.01 1.61 1.11 -1.12 -4.97 116.67 117.41 3ila s ASP 167 Ca 0.00 2.64 -0.25 0.00 0.18 0.00 0.00 52.55 55.12 3ila s ASP 167 Cb 0.00 -2.64 -0.04 0.00 1.07 0.00 0.00 42.92 41.31 3ila s ASP 167 CO 0.00 -0.77 0.78 -1.81 1.18 0.00 0.00 175.17 174.55 3ila s ASP 168 N -0.71 7.16 0.15 0.27 1.01 -1.26 -4.46 116.67 118.82 3ila s ASP 168 Ca 0.55 1.39 0.05 0.00 0.71 0.00 0.00 52.55 55.25 3ila s ASP 168 Cb -0.38 -2.47 -0.04 0.00 1.01 0.00 0.00 42.92 41.04 3ila s ASP 168 CO 0.49 -0.10 -0.11 -0.76 0.21 0.00 0.00 175.17 174.91 3ila s LEU 169 N 0.51 2.51 -0.16 1.23 1.43 -0.45 -3.42 118.68 120.32 3ila s LEU 169 Ca 0.41 -0.98 -0.07 0.00 -1.03 0.00 0.00 54.13 52.46 3ila s LEU 169 Cb -0.19 -0.40 -0.04 0.00 0.03 0.00 0.00 46.19 45.59 3ila s LEU 169 CO 0.22 -0.29 0.07 -0.63 0.23 0.00 0.00 176.35 175.95 3ila s ILE 170 N -3.10 4.91 -0.33 -0.59 -1.09 0.11 -1.33 121.20 119.77 3ila s ILE 170 Ca 0.15 0.00 -0.03 0.00 -2.23 0.00 0.00 60.65 58.54 3ila s ILE 170 Cb 0.01 -3.19 0.06 0.00 -1.58 0.00 0.00 42.46 37.76 3ila s ILE 170 CO 0.01 0.50 0.07 -0.76 -1.23 0.00 0.00 174.94 173.53 3ila s LEU 171 N 0.03 4.30 -0.19 2.97 1.02 -1.26 -0.61 118.68 124.94 3ila s LEU 171 Ca 0.06 -1.39 -0.08 0.00 0.02 0.00 0.00 54.13 52.74 3ila s LEU 171 Cb -0.12 -1.78 -0.04 0.00 0.02 0.00 0.00 46.19 44.27 3ila s LEU 171 CO 0.01 -0.34 0.08 -0.69 0.02 0.00 0.00 176.35 175.43 3ila s VAL 172 N 1.27 4.95 0.08 -1.59 1.01 -0.14 -0.45 120.40 125.53 3ila s VAL 172 Ca -0.01 0.03 -0.31 0.00 0.00 0.00 0.00 61.98 61.68 3ila s VAL 172 Cb -0.20 -3.24 -0.07 0.00 0.00 0.00 0.00 36.38 32.86 3ila s VAL 172 CO -0.01 0.45 1.36 -0.55 0.00 0.00 0.00 175.10 176.35 3ila s SER 173 N 0.43 6.88 0.24 3.32 0.15 0.08 -0.19 113.70 124.60 3ila s SER 173 Ca 0.04 2.22 -0.01 0.00 0.70 0.00 0.00 55.95 58.91 3ila s SER 173 Cb -0.12 -2.58 0.26 0.00 -1.71 0.00 0.00 66.02 61.87 3ila s SER 173 CO -0.00 -0.64 1.63 0.58 1.20 0.00 0.00 173.24 176.01 3ila h VAL 174 N 4.47 1.29 0.03 4.45 2.07 -1.69 0.05 116.25 126.92 3ila h VAL 174 Ca -0.41 -1.48 -0.17 0.00 0.82 0.00 0.00 66.70 65.46 3ila h VAL 174 Cb 1.20 1.47 0.02 0.00 -1.52 0.00 0.00 31.29 32.46 3ila h VAL 174 CO 0.86 0.47 -0.70 0.77 0.02 0.00 0.00 177.57 179.00 3ila h SER 175 N 0.47 0.55 -0.00 0.57 4.64 -1.81 -3.37 113.55 114.60 3ila h SER 175 Ca 0.05 -0.80 0.00 0.00 -0.47 0.00 0.00 61.79 60.57 3ila h SER 175 Cb 0.83 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 3ila h SER 175 CO 0.07 1.29 -0.49 -1.54 -0.87 0.00 0.00 176.83 175.29 3ila n SER 176 N -4.16 0.88 -2.91 4.97 3.41 -1.25 -5.00 113.62 109.57 3ila n SER 176 Ca -0.11 -0.94 -0.22 0.00 -0.26 0.00 0.00 58.87 57.34 3ila n SER 176 Cb 0.73 0.82 0.02 0.00 -0.26 0.00 0.00 64.21 65.52 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 -0.92 -3.97 -4.48 4.33 1.02 0.00 -5.00 120.64 111.63 3ila n GLU 177 Ca 0.03 0.87 -0.30 0.00 -0.02 0.00 0.00 57.16 57.74 3ila n GLU 177 Cb 0.23 -5.66 -0.12 0.00 -0.02 0.00 0.00 31.44 25.86 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 -5.57 1.91 0.31 3.49 0.52 -1.24 -4.84 118.95 113.52 3ila s ARG 178 Ca 0.24 -1.09 -0.28 0.00 -0.52 0.00 0.00 55.73 54.08 3ila s ARG 178 Cb -0.11 -2.14 -0.09 0.00 0.52 0.00 0.00 34.95 33.12 3ila s ARG 178 CO 0.30 0.51 1.04 0.71 0.02 0.00 0.00 175.30 177.88 3ila s TYR 179 N -1.03 3.58 -0.27 -0.53 2.02 0.10 -0.74 117.35 120.48 3ila s TYR 179 Ca 0.16 1.73 -0.29 0.00 -0.37 0.00 0.00 57.07 58.31 3ila s TYR 179 Cb -0.11 -3.15 -0.02 0.00 -0.40 0.00 0.00 41.96 38.28 3ila s TYR 179 CO 0.08 -0.32 1.77 -1.17 -1.57 0.00 0.00 175.55 174.34 3ila s LEU 180 N -1.77 3.66 -0.05 -1.29 2.96 0.40 -1.89 118.68 120.69 3ila s LEU 180 Ca 0.48 1.49 0.05 0.00 -0.22 0.00 0.00 54.13 55.93 3ila s LEU 180 Cb -0.27 -3.53 -0.02 0.00 0.50 0.00 0.00 46.19 42.87 3ila s LEU 180 CO 0.34 -1.56 -0.18 -2.28 -1.32 0.00 0.00 176.35 171.36 3ila s HIS 181 N 6.34 2.60 -0.33 5.38 5.65 0.13 -3.95 115.29 131.11 3ila s HIS 181 Ca 0.79 -0.33 -0.15 0.00 0.25 0.00 0.00 55.06 55.62 3ila s HIS 181 Cb -0.25 -1.61 -0.02 0.00 -1.18 0.00 0.00 32.58 29.52 3ila s HIS 181 CO 0.33 0.06 0.35 -1.17 -0.65 0.00 0.00 174.74 173.66 3ila s LEU 182 N -0.55 4.34 0.17 8.88 2.96 -1.26 -0.45 118.68 132.78 3ila s LEU 182 Ca 0.08 -0.13 0.07 0.00 -0.22 0.00 0.00 54.13 53.92 3ila s LEU 182 Cb -0.11 -2.34 -0.04 0.00 0.50 0.00 0.00 46.19 44.20 3ila s LEU 182 CO 0.01 -0.29 0.04 -0.94 -1.32 0.00 0.00 176.35 173.84 3ila s SER 183 N 1.72 4.97 -0.01 3.68 1.04 0.91 -5.00 113.70 121.02 3ila s SER 183 Ca 0.12 -0.33 0.01 0.00 0.48 0.00 0.00 55.95 56.24 3ila s SER 183 Cb -0.16 -1.13 -0.00 0.00 0.10 0.00 0.00 66.02 64.83 3ila s SER 183 CO 0.11 0.08 -0.05 -0.89 0.98 0.00 0.00 173.24 173.48 3ila s THR 184 N -1.75 0.39 0.00 2.02 2.01 -1.26 -1.99 115.64 115.07 3ila s THR 184 Ca 0.28 -0.20 0.00 0.00 0.31 0.00 0.00 61.69 62.09 3ila s THR 184 Cb -0.09 -0.34 0.00 0.00 0.01 0.00 0.00 72.50 72.07 3ila s THR 184 CO 0.20 0.12 0.00 0.00 -0.69 0.00 0.00 174.62 174.25 3ila n ALA 185 N 3.05 1.21 0.00 7.40 0.00 -1.26 -5.05 120.51 125.86 3ila n ALA 185 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 3ila n ALA 185 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 3ila n ALA 185 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3ila n GLU 188 N -0.97 0.00 -2.49 0.00 -0.00 -1.26 -5.17 120.64 110.76 3ila n GLU 188 Ca 0.00 0.00 -0.39 0.00 -0.00 0.00 0.00 57.16 56.77 3ila n GLU 188 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 31.44 31.41 3ila n GLU 188 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 3ila s LEU 189 N 0.00 3.43 0.14 -1.84 1.43 -1.26 -4.90 118.68 115.68 3ila s LEU 189 Ca 0.00 -1.26 0.06 0.00 -1.03 0.00 0.00 54.13 51.90 3ila s LEU 189 Cb 0.00 -2.57 -0.04 0.00 0.03 0.00 0.00 46.19 43.61 3ila s LEU 189 CO 0.00 -1.70 -0.02 -1.10 0.23 0.00 0.00 176.35 173.76 3ila s GLN 190 N 5.32 2.41 -0.19 1.70 -1.52 -0.84 -4.47 119.66 122.07 3ila s GLN 190 Ca 0.49 -1.00 -0.02 0.00 -1.95 0.00 0.00 55.36 52.87 3ila s GLN 190 Cb -0.02 -2.41 -0.01 0.00 -0.22 0.00 0.00 33.01 30.36 3ila s GLN 190 CO -0.07 0.49 -0.08 0.54 -0.25 0.00 0.00 175.29 175.92 3ila s VAL 191 N -1.50 3.16 0.00 1.09 0.11 -1.26 -0.06 120.40 121.93 3ila s VAL 191 Ca 0.26 -0.58 0.00 0.00 -2.93 0.00 0.00 61.98 58.73 3ila s VAL 191 Cb -0.10 -2.40 0.00 0.00 -1.53 0.00 0.00 36.38 32.35 3ila s VAL 191 CO 0.18 0.46 0.00 -0.90 -3.33 0.00 0.00 175.10 171.51 3ila n ASP 192 N 4.42 0.79 -3.78 3.54 5.68 0.41 -4.40 116.55 123.21 3ila n ASP 192 Ca -0.18 -0.37 -0.30 0.00 -0.50 0.00 0.00 54.79 53.44 3ila n ASP 192 Cb 0.51 0.00 -0.15 0.00 -1.14 0.00 0.00 41.12 40.34 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 -2.00 1.74 0.05 2.12 0.00 1.00 0.22 121.76 124.88 3ila s ALA 193 Ca 0.00 -1.79 0.00 0.00 0.00 0.00 0.00 51.96 50.17 3ila s ALA 193 Cb 0.00 -1.67 -0.00 0.00 0.00 0.00 0.00 23.12 21.45 3ila s ALA 193 CO 0.00 -1.66 0.01 -1.13 0.00 0.00 0.00 175.76 172.97 3ila n SER 194 N 4.76 1.70 -0.66 0.00 3.41 -0.79 0.03 113.62 122.06 3ila n SER 194 Ca -0.01 -1.21 0.11 0.00 -0.26 0.00 0.00 58.87 57.49 3ila n SER 194 Cb 0.42 0.06 0.34 0.00 -0.26 0.00 0.00 64.21 64.77 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 -0.11 0.24 -3.46 7.33 3.72 -1.26 0.03 117.46 123.95 3ila n PHE 195 Ca -0.01 -0.12 -0.38 0.00 -0.05 0.00 0.00 57.45 56.89 3ila n PHE 195 Cb 0.06 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.52 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 -1.76 4.15 0.67 -1.08 -1.94 -1.26 -4.87 119.30 113.22 3ila s MET 196 Ca 0.33 0.09 -0.11 0.00 -1.71 0.00 0.00 55.69 54.29 3ila s MET 196 Cb 0.18 -3.53 -0.01 0.00 2.01 0.00 0.00 34.83 33.48 3ila s MET 196 CO 0.27 0.00 1.07 1.14 -0.01 0.00 0.00 175.02 177.49 3ila s GLN 197 N 1.20 3.18 -0.05 2.03 -2.07 -1.26 -4.55 119.66 118.14 3ila s GLN 197 Ca 0.16 0.60 -0.08 0.00 -1.82 0.00 0.00 55.36 54.22 3ila s GLN 197 Cb -0.14 -2.05 0.02 0.00 -1.09 0.00 0.00 33.01 29.75 3ila s GLN 197 CO 0.07 -0.84 0.20 0.99 -1.32 0.00 0.00 175.29 174.39 3ila s THR 198 N -3.27 0.03 -0.23 3.63 2.01 -1.25 -4.82 115.64 111.73 3ila s THR 198 Ca 0.57 -0.21 -0.19 0.00 0.31 0.00 0.00 61.69 62.16 3ila s THR 198 Cb -0.11 -0.36 -0.03 0.00 0.01 0.00 0.00 72.50 72.01 3ila s THR 198 CO 0.53 -0.12 0.56 -0.76 -0.69 0.00 0.00 174.62 174.14 3ila s LEU 199 N -0.39 4.10 -0.04 4.42 1.43 -1.26 -4.51 118.68 122.43 3ila s LEU 199 Ca -0.05 0.66 0.05 0.00 -1.03 0.00 0.00 54.13 53.76 3ila s LEU 199 Cb -0.03 -2.75 -0.02 0.00 0.03 0.00 0.00 46.19 43.41 3ila s LEU 199 CO 0.01 -0.27 -0.19 0.26 0.23 0.00 0.00 176.35 176.39 3ila s TRP 200 N 2.06 2.54 -0.15 0.29 0.52 -0.44 -4.48 118.94 119.28 3ila s TRP 200 Ca 0.24 -0.30 -0.07 0.00 0.02 0.00 0.00 56.10 55.99 3ila s TRP 200 Cb -0.16 -1.58 -0.04 0.00 -1.15 0.00 0.00 33.47 30.54 3ila s TRP 200 CO 0.09 0.07 0.10 -0.80 0.02 0.00 0.00 176.95 176.44 3ila s ASN 201 N -0.65 6.03 -0.72 2.95 -0.87 0.11 -1.35 114.94 120.45 3ila s ASN 201 Ca 0.10 0.29 -0.10 0.00 -1.57 0.00 0.00 52.86 51.57 3ila s ASN 201 Cb -0.11 -1.97 0.19 0.00 -0.02 0.00 0.00 41.25 39.34 3ila s ASN 201 CO 0.00 0.30 0.62 -0.04 -2.57 0.00 0.00 177.10 175.41 3ila s MET 202 N -0.39 3.15 -0.19 -0.60 -1.94 -1.26 -1.02 119.30 117.05 3ila s MET 202 Ca 0.11 -2.38 -0.18 0.00 -1.71 0.00 0.00 55.69 51.52 3ila s MET 202 Cb -0.12 -4.17 -0.03 0.00 2.01 0.00 0.00 34.83 32.52 3ila s MET 202 CO 0.01 -1.25 0.52 -0.80 -0.01 0.00 0.00 175.02 173.49 3ila s ASN 203 N 1.85 6.58 0.00 3.03 0.01 -1.09 -4.53 114.94 120.78 3ila s ASN 203 Ca 0.16 0.69 0.15 0.00 -0.71 0.00 0.00 52.86 53.15 3ila s ASN 203 Cb -0.16 -2.29 0.91 0.00 0.41 0.00 0.00 41.25 40.11 3ila s ASN 203 CO -0.06 -0.17 1.32 -2.65 -1.51 0.00 0.00 177.10 174.04