#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ilf n PRO 2 N 0.00 -0.19 -0.04 0.03 -0.02 -1.26 -4.95 135.00 128.57 1ilf n PRO 2 Ca 0.00 -0.00 -0.07 0.00 -2.02 0.00 0.00 63.50 61.41 1ilf n PRO 2 Cb 0.00 -2.02 -0.14 0.00 -0.02 0.00 0.00 33.50 31.33 1ilf n PRO 2 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 1ilf n ARG 3 N -2.22 0.65 -1.79 -0.52 0.00 -1.26 -4.93 116.66 106.59 1ilf n ARG 3 Ca 0.09 0.17 -0.41 0.00 -0.00 0.00 0.00 57.85 57.69 1ilf n ARG 3 Cb 0.52 -1.70 -0.02 0.00 -0.00 0.00 0.00 32.46 31.27 1ilf n ARG 3 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 1ilf s VAL 4 N -2.65 2.09 0.36 8.89 -7.23 -1.26 -3.43 120.40 117.17 1ilf s VAL 4 Ca -0.06 0.08 -0.15 0.00 -1.81 0.00 0.00 61.98 60.03 1ilf s VAL 4 Cb 0.08 -3.05 -0.09 0.00 0.56 0.00 0.00 36.38 33.88 1ilf s VAL 4 CO 0.83 0.01 0.78 0.68 -0.31 0.00 0.00 175.10 177.09 1ilf s VAL 5 N -0.06 4.64 0.50 1.32 -7.23 0.10 -4.93 120.40 114.75 1ilf s VAL 5 Ca 0.63 1.00 0.44 0.00 -1.81 0.00 0.00 61.98 62.24 1ilf s VAL 5 Cb -0.47 -3.63 0.65 0.00 0.56 0.00 0.00 36.38 33.49 1ilf s VAL 5 CO 0.48 -0.27 1.47 -2.65 -0.31 0.00 0.00 175.10 173.83 1ilf n PRO 6 N -0.57 -0.01 -3.47 4.82 -0.02 -1.26 -3.01 135.00 131.48 1ilf n PRO 6 Ca 0.04 1.06 -0.27 0.00 -2.02 0.00 0.00 63.50 62.31 1ilf n PRO 6 Cb 0.53 -2.36 -0.12 0.00 -0.02 0.00 0.00 33.50 31.53 1ilf n PRO 6 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1ilf s ASP 7 N -3.96 2.85 0.16 2.55 1.01 -1.26 -4.99 116.67 113.03 1ilf s ASP 7 Ca -0.05 -1.70 -0.13 0.00 0.71 0.00 0.00 52.55 51.38 1ilf s ASP 7 Cb 0.26 -0.19 0.05 0.00 1.01 0.00 0.00 42.92 44.05 1ilf s ASP 7 CO 0.83 -0.35 1.70 1.56 0.21 0.00 0.00 175.17 179.12 1ilf h GLN 8 N 7.59 0.82 0.00 8.23 4.20 -1.78 -0.71 115.11 133.46 1ilf h GLN 8 Ca -0.04 -0.16 -0.02 0.00 0.06 0.00 0.00 58.65 58.48 1ilf h GLN 8 Cb 1.00 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 28.65 1ilf h GLN 8 CO 0.32 0.73 -0.10 0.00 -0.67 0.00 0.00 178.83 179.11 1ilf h ARG 9 N 0.74 0.00 -0.02 1.46 -0.00 -1.93 -0.97 114.38 113.65 1ilf h ARG 9 Ca 0.18 0.00 -0.01 0.00 -0.50 0.00 0.00 59.98 59.64 1ilf h ARG 9 Cb 0.23 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 30.20 1ilf h ARG 9 CO -0.01 0.10 -0.06 0.77 0.00 0.00 0.00 179.97 180.77 1ilf h SER 10 N 0.00 0.03 0.00 7.04 0.02 -1.53 0.57 113.55 119.69 1ilf h SER 10 Ca -0.00 -0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 1ilf h SER 10 Cb 0.31 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 62.84 1ilf h SER 10 CO 0.01 0.09 -0.22 0.11 -1.14 0.00 0.00 176.83 175.68 1ilf h LYS 11 N 0.03 0.00 -0.13 3.45 1.79 -1.14 0.90 116.57 121.47 1ilf h LYS 11 Ca 0.01 0.00 0.04 0.00 -2.18 0.00 0.00 60.65 58.52 1ilf h LYS 11 Cb 0.12 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.77 1ilf h LYS 11 CO 0.01 0.25 0.36 0.35 -1.08 0.00 0.00 179.45 179.34 1ilf h PHE 12 N -1.00 0.00 0.00 -1.35 3.57 -1.33 0.89 116.94 117.73 1ilf h PHE 12 Ca -0.03 0.00 -0.29 0.00 3.53 0.00 0.00 57.97 61.18 1ilf h PHE 12 Cb 0.40 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 39.08 1ilf h PHE 12 CO 0.00 0.00 -2.28 -0.85 -2.23 0.00 0.00 178.31 172.95 1ilf n GLU 13 N -3.18 0.75 -0.03 1.11 0.28 0.20 -4.59 120.64 115.19 1ilf n GLU 13 Ca 0.01 -0.04 -0.03 0.00 -0.16 0.00 0.00 57.16 56.94 1ilf n GLU 13 Cb 0.45 -1.51 -0.04 0.00 1.43 0.00 0.00 31.44 31.77 1ilf n GLU 13 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 1ilf n ASN 14 N -2.64 3.67 -4.75 -1.84 5.15 0.31 -5.02 115.26 110.13 1ilf n ASN 14 Ca -0.27 -0.00 -0.41 0.00 -0.60 0.00 0.00 54.58 53.30 1ilf n ASN 14 Cb 1.03 0.60 -0.02 0.00 -0.53 0.00 0.00 39.78 40.86 1ilf n ASN 14 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1ilf s GLU 15 N -2.13 4.21 0.00 1.20 2.02 0.30 -4.95 118.70 119.35 1ilf s GLU 15 Ca -0.03 2.41 0.00 0.00 0.02 0.00 0.00 54.97 57.37 1ilf s GLU 15 Cb 0.02 -3.06 0.00 0.00 0.10 0.00 0.00 34.13 31.18 1ilf s GLU 15 CO 0.22 -0.47 0.23 -0.85 0.02 0.00 0.00 175.26 174.41 1ilf n GLU 16 N 1.85 0.00 -0.31 1.61 0.00 -1.26 -1.18 120.64 121.35 1ilf n GLU 16 Ca 0.06 0.00 0.26 0.00 0.00 0.00 0.00 57.16 57.48 1ilf n GLU 16 Cb 0.39 -0.68 0.58 0.00 0.00 0.00 0.00 31.44 31.73 1ilf n GLU 16 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.13 177.48 1ilf h PHE 17 N 0.00 0.46 -0.31 -1.84 3.04 -1.96 1.21 116.94 117.54 1ilf h PHE 17 Ca 0.00 0.02 -0.07 0.00 3.98 0.00 0.00 57.97 61.90 1ilf h PHE 17 Cb 0.00 -0.13 -0.02 0.00 2.56 0.00 0.00 35.95 38.36 1ilf h PHE 17 CO 0.00 0.04 -0.09 0.35 -2.02 0.00 0.00 178.31 176.59 1ilf h PHE 18 N 0.27 0.54 0.00 0.41 3.04 -1.90 0.21 116.94 119.51 1ilf h PHE 18 Ca 0.58 -0.08 -0.02 0.00 3.98 0.00 0.00 57.97 62.43 1ilf h PHE 18 Cb 1.71 -0.15 -0.00 0.00 2.56 0.00 0.00 35.95 40.07 1ilf h PHE 18 CO -0.00 0.60 -0.27 0.00 -2.02 0.00 0.00 178.31 176.61 1ilf h ARG 19 N 0.48 0.00 -1.34 1.11 3.08 0.25 0.49 114.38 118.45 1ilf h ARG 19 Ca 0.09 0.00 0.40 0.00 0.07 0.00 0.00 59.98 60.54 1ilf h ARG 19 Cb 0.45 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 30.41 1ilf h ARG 19 CO 0.02 0.25 0.92 0.87 -1.07 0.00 0.00 179.97 180.96 1ilf h LYS 20 N -1.00 0.11 0.08 0.04 1.57 0.89 1.03 116.57 119.29 1ilf h LYS 20 Ca -0.04 -0.01 -0.35 0.00 -1.87 0.00 0.00 60.65 58.39 1ilf h LYS 20 Cb 0.43 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.69 1ilf h LYS 20 CO -0.02 0.07 -1.94 1.28 -0.57 0.00 0.00 179.45 178.27 1ilf n LEU 21 N -4.40 2.11 0.23 2.94 4.77 0.72 -3.93 117.00 119.44 1ilf n LEU 21 Ca 0.33 0.25 0.11 0.00 -0.03 0.00 0.00 56.01 56.67 1ilf n LEU 21 Cb 1.37 -0.72 0.43 0.00 -2.33 0.00 0.00 43.42 42.17 1ilf n LEU 21 CO 0.31 0.72 1.10 0.77 -1.33 0.00 0.00 177.39 178.97 1ilf h SER 22 N 0.05 0.00 -3.34 -1.43 4.64 0.62 -1.90 113.55 112.19 1ilf h SER 22 Ca -0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 1ilf h SER 22 Cb 2.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.12 1ilf h SER 22 CO 0.08 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.58 1ilf n ARG 23 N -2.87 1.38 -3.83 4.77 5.12 -0.62 -3.63 116.66 116.98 1ilf n ARG 23 Ca 0.03 0.00 -0.35 0.00 -1.93 0.00 0.00 57.85 55.60 1ilf n ARG 23 Cb 0.81 0.00 -0.09 0.00 -1.16 0.00 0.00 32.46 32.02 1ilf n ARG 23 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1ilf s GLU 24 N -0.90 4.04 -0.07 5.56 2.02 -1.26 -2.02 118.70 126.06 1ilf s GLU 24 Ca 0.00 -0.30 -0.14 0.00 0.02 0.00 0.00 54.97 54.54 1ilf s GLU 24 Cb 0.00 -3.36 0.03 0.00 0.10 0.00 0.00 34.13 30.90 1ilf s GLU 24 CO 0.00 0.19 0.35 0.00 0.02 0.00 0.00 175.26 175.82 1ilf n GLU 26 N 2.02 0.30 -4.27 0.00 0.00 -1.26 -1.61 120.64 115.83 1ilf n GLU 26 Ca -0.17 0.11 -0.15 0.00 0.00 0.00 0.00 57.16 56.95 1ilf n GLU 26 Cb 0.57 -1.21 -0.10 0.00 0.00 0.00 0.00 31.44 30.69 1ilf n GLU 26 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.13 178.09 1ilf s ILE 27 N -1.21 0.89 0.00 3.84 -4.36 -0.50 -1.59 121.20 118.27 1ilf s ILE 27 Ca 0.62 -2.01 -0.18 0.00 -0.26 0.00 0.00 60.65 58.82 1ilf s ILE 27 Cb -0.79 -2.10 0.03 0.00 1.25 0.00 0.00 42.46 40.85 1ilf s ILE 27 CO 0.58 -0.51 0.40 -0.54 0.24 0.00 0.00 174.94 175.12 1ilf s LYS 28 N -3.86 0.82 -0.18 0.37 1.02 0.16 -1.81 119.74 116.26 1ilf s LYS 28 Ca 0.23 -0.19 -0.28 0.00 0.02 0.00 0.00 55.97 55.76 1ilf s LYS 28 Cb 0.05 0.37 -0.00 0.00 -0.52 0.00 0.00 37.83 37.73 1ilf s LYS 28 CO 0.04 -0.25 0.95 -0.47 -0.92 0.00 0.00 175.35 174.70 1ilf s TYR 29 N -1.72 3.40 0.00 3.18 5.04 -0.80 0.52 117.35 126.97 1ilf s TYR 29 Ca -0.10 1.40 0.04 0.00 -2.44 0.00 0.00 57.07 55.97 1ilf s TYR 29 Cb -0.03 -3.15 0.06 0.00 0.35 0.00 0.00 41.96 39.19 1ilf s TYR 29 CO 0.03 -0.34 0.91 0.25 -1.34 0.00 0.00 175.55 175.06 1ilf n THR 30 N 4.97 0.00 -0.03 4.34 -2.24 -1.26 -4.87 114.28 115.19 1ilf n THR 30 Ca 0.08 -0.15 -0.00 0.00 -2.27 0.00 0.00 64.05 61.71 1ilf n THR 30 Cb 0.48 0.46 -0.00 0.00 -2.10 0.00 0.00 70.33 69.17 1ilf n THR 30 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1ilf h GLY 31 N 0.15 -0.01 -0.13 3.38 0.00 -1.89 -3.43 103.07 101.14 1ilf h GLY 31 Ca -0.36 0.01 0.00 0.00 0.00 0.00 0.00 47.33 46.97 1ilf h GLY 31 CO -0.15 -0.01 -0.06 1.97 0.00 0.00 0.00 176.54 178.29 1ilf n PHE 32 N -4.26 0.00 0.99 5.60 -1.74 -1.26 -4.71 117.46 112.08 1ilf n PHE 32 Ca -0.00 -0.34 0.12 0.00 -0.56 0.00 0.00 57.45 56.67 1ilf n PHE 32 Cb 0.01 -0.05 0.33 0.00 1.52 0.00 0.00 39.48 41.29 1ilf n PHE 32 CO 0.00 0.00 0.00 2.89 -0.56 0.00 0.00 176.76 179.09 1ilf n ARG 33 N -0.41 0.01 0.11 3.97 -4.01 -1.26 -4.09 116.66 110.98 1ilf n ARG 33 Ca 0.02 0.00 0.04 0.00 -1.04 0.00 0.00 57.85 56.88 1ilf n ARG 33 Cb 0.45 -1.50 0.23 0.00 -3.04 0.00 0.00 32.46 28.59 1ilf n ARG 33 CO 0.00 0.00 0.00 -3.47 -3.04 0.00 0.00 177.63 171.12 1ilf n ASP 34 N -1.51 0.22 0.00 2.89 2.03 -1.26 -2.22 116.55 116.69 1ilf n ASP 34 Ca 0.06 0.45 0.00 0.00 0.52 0.00 0.00 54.79 55.82 1ilf n ASP 34 Cb 0.34 -0.40 0.00 0.00 -0.72 0.00 0.00 41.12 40.33 1ilf n ASP 34 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1ilf n ARG 35 N -1.79 0.00 -2.55 -0.67 3.00 -1.26 -4.90 116.66 108.49 1ilf n ARG 35 Ca -0.01 0.00 -0.39 0.00 -0.01 0.00 0.00 57.85 57.44 1ilf n ARG 35 Cb 0.31 0.00 0.02 0.00 0.00 0.00 0.00 32.46 32.79 1ilf n ARG 35 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 1ilf n PRO 36 N -2.45 4.82 -0.14 5.56 -0.04 -1.24 -4.84 135.00 136.68 1ilf n PRO 36 Ca 0.00 -4.51 -0.05 0.00 -0.04 0.00 0.00 63.50 58.90 1ilf n PRO 36 Cb 0.00 -2.42 0.01 0.00 -0.04 0.00 0.00 33.50 31.05 1ilf n PRO 36 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1ilf h HIS 37 N 3.89 -0.63 -0.61 0.54 2.76 -1.74 0.47 115.15 119.82 1ilf h HIS 37 Ca 0.50 0.05 0.18 0.00 -2.20 0.00 0.00 60.37 58.90 1ilf h HIS 37 Cb 0.30 0.35 -0.02 0.00 1.55 0.00 0.00 27.41 29.58 1ilf h HIS 37 CO 1.26 -0.32 0.48 1.49 -1.30 0.00 0.00 177.93 179.54 1ilf h GLU 38 N -0.15 0.00 0.17 5.26 4.81 -1.88 0.29 114.58 123.08 1ilf h GLU 38 Ca 0.21 0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 59.10 1ilf h GLU 38 Cb 0.48 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.87 1ilf h GLU 38 CO -0.54 0.00 -1.69 1.49 -0.73 0.00 0.00 179.01 177.54 1ilf h GLU 39 N 0.00 0.35 -0.15 1.92 4.57 -1.21 -3.26 114.58 116.80 1ilf h GLU 39 Ca 0.29 -0.60 0.04 0.00 -1.18 0.00 0.00 59.36 57.92 1ilf h GLU 39 Cb 1.25 0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 30.05 1ilf h GLU 39 CO -0.00 1.25 0.27 0.00 -1.18 0.00 0.00 179.01 179.34 1ilf h ARG 40 N 0.10 0.00 -0.98 1.92 -0.00 0.34 0.27 114.38 116.03 1ilf h ARG 40 Ca -0.32 0.00 0.07 0.00 -0.50 0.00 0.00 59.98 59.24 1ilf h ARG 40 Cb 2.08 0.00 -0.07 0.00 0.00 0.00 0.00 29.97 31.98 1ilf h ARG 40 CO 0.17 0.00 0.63 -0.56 0.00 0.00 0.00 179.97 180.21 1ilf h GLN 41 N 0.00 1.08 0.07 0.04 -0.00 -1.13 1.14 115.11 116.31 1ilf h GLN 41 Ca 0.07 -0.06 -0.29 0.00 -0.00 0.00 0.00 58.65 58.37 1ilf h GLN 41 Cb 0.61 -0.24 -0.02 0.00 -0.00 0.00 0.00 27.48 27.82 1ilf h GLN 41 CO -0.00 0.71 -1.52 1.15 -0.00 0.00 0.00 178.83 179.17 1ilf h THR 42 N 1.11 1.13 -0.39 1.86 2.02 -0.74 -2.41 112.91 115.49 1ilf h THR 42 Ca 0.43 -2.84 -0.03 0.00 0.77 0.00 0.00 66.41 64.75 1ilf h THR 42 Cb 0.23 2.68 -0.02 0.00 -1.74 0.00 0.00 68.15 69.29 1ilf h THR 42 CO -0.18 0.77 0.13 0.03 0.37 0.00 0.00 175.52 176.64 1ilf h ARG 43 N 0.04 0.57 0.01 6.66 2.47 0.11 0.86 114.38 125.09 1ilf h ARG 43 Ca -0.23 -0.08 -0.00 0.00 -1.26 0.00 0.00 59.98 58.41 1ilf h ARG 43 Cb 1.98 -0.10 0.00 0.00 -1.65 0.00 0.00 29.97 30.20 1ilf h ARG 43 CO 0.13 0.50 -0.00 0.35 0.56 0.00 0.00 179.97 181.50 1ilf h PHE 44 N 0.56 -0.01 0.00 3.04 3.57 0.12 0.12 116.94 124.34 1ilf h PHE 44 Ca 0.13 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.63 1ilf h PHE 44 Cb 0.16 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.91 1ilf h PHE 44 CO 0.01 0.81 -0.04 0.37 -2.23 0.00 0.00 178.31 177.22 1ilf h GLN 45 N -0.88 0.00 0.00 1.11 4.15 -1.20 0.82 115.11 119.11 1ilf h GLN 45 Ca -0.00 0.00 -0.13 0.00 0.77 0.00 0.00 58.65 59.29 1ilf h GLN 45 Cb 0.82 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.49 1ilf h GLN 45 CO 0.00 0.04 -1.04 -0.91 -1.93 0.00 0.00 178.83 174.99 1ilf h ASN 46 N 0.00 0.00 0.18 -0.69 -0.26 0.73 -3.22 115.58 112.32 1ilf h ASN 46 Ca -0.00 0.00 -0.06 0.00 -0.56 0.00 0.00 56.30 55.68 1ilf h ASN 46 Cb 0.09 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.34 1ilf h ASN 46 CO 0.01 0.51 -0.25 0.00 -1.06 0.00 0.00 177.43 176.64 1ilf h ALA 47 N 1.49 1.45 0.00 -0.83 0.00 0.16 0.15 119.26 121.69 1ilf h ALA 47 Ca -0.09 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 1ilf h ALA 47 Cb 1.47 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.19 1ilf h ALA 47 CO 0.05 0.39 -0.03 0.00 0.00 0.00 0.00 179.25 179.67 1ilf h ARG 49 N 0.00 0.00 -0.39 0.00 0.11 -0.81 -3.03 114.38 110.26 1ilf h ARG 49 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1ilf h ARG 49 Cb 0.31 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.39 1ilf h ARG 49 CO 0.00 0.71 0.00 -0.25 0.10 0.00 0.00 179.97 180.53 1ilf n ASP 50 N -3.50 3.36 -2.82 0.08 8.00 -0.12 -4.22 116.55 117.33 1ilf n ASP 50 Ca -0.00 -1.98 -0.22 0.00 0.71 0.00 0.00 54.79 53.31 1ilf n ASP 50 Cb 0.74 -0.25 0.03 0.00 -0.02 0.00 0.00 41.12 41.62 1ilf n ASP 50 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ilf n GLY 51 N 1.49 -0.49 3.23 0.44 0.00 -0.18 -4.90 105.19 104.78 1ilf n GLY 51 Ca 0.19 0.08 -0.11 0.00 0.00 0.00 0.00 46.02 46.19 1ilf n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ilf s ARG 52 N -5.55 0.35 0.16 1.61 0.52 -0.53 0.51 118.95 116.03 1ilf s ARG 52 Ca 0.24 0.77 -0.05 0.00 -0.52 0.00 0.00 55.73 56.17 1ilf s ARG 52 Cb -0.11 -0.01 -0.02 0.00 0.52 0.00 0.00 34.95 35.33 1ilf s ARG 52 CO 0.30 -0.17 0.19 -1.54 0.02 0.00 0.00 175.30 174.09 1ilf s SER 53 N 1.53 0.15 -0.21 0.23 1.04 -1.06 -4.30 113.70 111.08 1ilf s SER 53 Ca -0.08 -1.07 -0.01 0.00 0.48 0.00 0.00 55.95 55.27 1ilf s SER 53 Cb -0.09 0.38 0.06 0.00 0.10 0.00 0.00 66.02 66.47 1ilf s SER 53 CO -0.12 -0.83 -0.01 -0.70 0.98 0.00 0.00 173.24 172.55 1ilf s GLU 54 N -4.02 1.14 0.04 4.02 2.12 -1.26 -1.95 118.70 118.79 1ilf s GLU 54 Ca 0.23 -0.69 0.08 0.00 0.36 0.00 0.00 54.97 54.95 1ilf s GLU 54 Cb 0.05 -2.32 -0.03 0.00 0.26 0.00 0.00 34.13 32.09 1ilf s GLU 54 CO 0.03 -0.61 -0.23 0.96 -0.54 0.00 0.00 175.26 174.87 1ilf s ILE 55 N 1.63 1.83 -0.17 -3.70 -0.00 -0.68 -3.71 121.20 116.41 1ilf s ILE 55 Ca -0.03 -1.27 -0.19 0.00 -0.00 0.00 0.00 60.65 59.16 1ilf s ILE 55 Cb -0.18 -1.58 -0.03 0.00 -0.00 0.00 0.00 42.46 40.67 1ilf s ILE 55 CO -0.07 0.26 0.54 0.00 -0.00 0.00 0.00 174.94 175.67 1ilf s ALA 56 N -0.80 3.51 -0.16 2.27 0.00 0.18 -1.59 121.76 125.18 1ilf s ALA 56 Ca 0.09 -0.28 -0.27 0.00 0.00 0.00 0.00 51.96 51.50 1ilf s ALA 56 Cb -0.09 -2.81 -0.01 0.00 0.00 0.00 0.00 23.12 20.20 1ilf s ALA 56 CO 0.02 -0.33 0.90 0.12 0.00 0.00 0.00 175.76 176.47 1ilf s PHE 57 N 1.37 3.44 -0.27 0.00 2.19 0.12 -0.66 117.98 124.17 1ilf s PHE 57 Ca 0.26 1.36 0.26 0.00 0.33 0.00 0.00 56.93 59.14 1ilf s PHE 57 Cb -0.16 -3.08 0.62 0.00 -1.31 0.00 0.00 43.02 39.09 1ilf s PHE 57 CO 0.11 -0.25 1.71 0.28 1.83 0.00 0.00 175.22 178.89 1ilf h VAL 58 N 5.19 0.05 -0.54 3.12 2.07 -1.60 0.15 116.25 124.69 1ilf h VAL 58 Ca -0.29 -0.92 0.11 0.00 0.82 0.00 0.00 66.70 66.42 1ilf h VAL 58 Cb 1.13 1.88 -0.11 0.00 -1.52 0.00 0.00 31.29 32.67 1ilf h VAL 58 CO 0.85 0.03 -0.25 0.00 0.02 0.00 0.00 177.57 178.22 1ilf h ALA 59 N 1.97 0.13 0.00 1.67 0.00 -1.86 -3.30 119.26 117.87 1ilf h ALA 59 Ca -0.00 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1ilf h ALA 59 Cb 0.88 0.61 0.00 0.00 0.00 0.00 0.00 17.79 19.28 1ilf h ALA 59 CO 0.00 -0.57 -0.31 0.25 0.00 0.00 0.00 179.25 178.62 1ilf n THR 60 N -5.42 0.00 -2.99 0.00 -2.24 -1.25 -5.03 114.28 97.35 1ilf n THR 60 Ca 0.05 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.70 1ilf n THR 60 Cb 0.33 0.69 0.06 0.00 -2.10 0.00 0.00 70.33 69.31 1ilf n THR 60 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ilf n GLY 61 N 0.00 -0.43 3.33 3.38 0.00 0.45 -5.03 105.19 106.90 1ilf n GLY 61 Ca 0.00 0.17 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 1ilf n GLY 61 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1ilf s THR 62 N -3.29 2.64 0.24 2.61 -1.32 -0.79 -4.88 115.64 110.84 1ilf s THR 62 Ca 0.17 -0.83 -0.30 0.00 -1.21 0.00 0.00 61.69 59.52 1ilf s THR 62 Cb -0.02 -2.05 -0.09 0.00 -1.51 0.00 0.00 72.50 68.83 1ilf s THR 62 CO 0.57 0.55 0.95 0.21 -2.21 0.00 0.00 174.62 174.69 1ilf s ASN 63 N 0.12 7.63 -0.06 8.08 2.47 -1.26 0.16 114.94 132.08 1ilf s ASN 63 Ca -0.09 1.96 -0.03 0.00 0.42 0.00 0.00 52.86 55.13 1ilf s ASN 63 Cb -0.15 -2.61 0.04 0.00 -1.45 0.00 0.00 41.25 37.08 1ilf s ASN 63 CO 0.06 0.14 0.12 -0.76 -3.72 0.00 0.00 177.10 172.93 1ilf s LEU 64 N -1.17 0.15 -0.32 3.21 1.43 -0.62 -4.93 118.68 116.43 1ilf s LEU 64 Ca 0.41 0.23 -0.08 0.00 -1.03 0.00 0.00 54.13 53.67 1ilf s LEU 64 Cb -0.26 0.14 0.02 0.00 0.03 0.00 0.00 46.19 46.11 1ilf s LEU 64 CO 0.32 -0.23 0.12 -0.44 0.23 0.00 0.00 176.35 176.36 1ilf s SER 65 N 2.05 5.35 0.14 2.29 0.01 -1.26 -1.68 113.70 120.60 1ilf s SER 65 Ca 0.02 -0.82 0.09 0.00 1.31 0.00 0.00 55.95 56.55 1ilf s SER 65 Cb -0.12 -1.93 -0.04 0.00 0.21 0.00 0.00 66.02 64.14 1ilf s SER 65 CO -0.05 -0.26 -0.15 -0.76 0.41 0.00 0.00 173.24 172.43 1ilf s LEU 66 N 1.51 2.79 -0.35 2.44 1.02 -0.82 -5.01 118.68 120.26 1ilf s LEU 66 Ca 0.02 -0.57 -0.01 0.00 0.02 0.00 0.00 54.13 53.58 1ilf s LEU 66 Cb -0.18 -1.58 0.08 0.00 0.02 0.00 0.00 46.19 44.54 1ilf s LEU 66 CO 0.04 0.15 0.09 -1.10 0.02 0.00 0.00 176.35 175.55 1ilf s GLN 67 N -2.39 2.14 -0.23 1.70 -0.21 -1.26 -2.56 119.66 116.85 1ilf s GLN 67 Ca 0.21 -1.56 -0.05 0.00 0.02 0.00 0.00 55.36 53.97 1ilf s GLN 67 Cb -0.10 -3.34 -0.02 0.00 1.00 0.00 0.00 33.01 30.55 1ilf s GLN 67 CO 0.12 -0.84 -0.00 -0.59 -2.12 0.00 0.00 175.29 171.85 1ilf s PHE 68 N 1.16 3.00 0.06 0.91 -0.12 0.18 -4.01 117.98 119.17 1ilf s PHE 68 Ca 0.02 -0.74 -0.26 0.00 -0.05 0.00 0.00 56.93 55.91 1ilf s PHE 68 Cb -0.21 -2.14 0.07 0.00 -0.63 0.00 0.00 43.02 40.10 1ilf s PHE 68 CO -0.03 -0.46 0.61 -0.06 -0.05 0.00 0.00 175.22 175.22 1ilf s PHE 69 N 1.48 -0.55 -0.24 3.49 0.08 -1.26 -4.18 117.98 116.79 1ilf s PHE 69 Ca 0.06 0.65 -0.33 0.00 0.12 0.00 0.00 56.93 57.42 1ilf s PHE 69 Cb -0.15 0.45 -0.10 0.00 -0.57 0.00 0.00 43.02 42.65 1ilf s PHE 69 CO -0.01 -0.71 2.09 -2.30 -0.10 0.00 0.00 175.22 174.19 1ilf n PRO 70 N 0.28 1.63 0.23 0.24 -0.02 -1.26 -4.79 135.00 131.31 1ilf n PRO 70 Ca -0.18 0.51 0.16 0.00 -2.02 0.00 0.00 63.50 61.97 1ilf n PRO 70 Cb 0.61 -2.69 0.72 0.00 -0.02 0.00 0.00 33.50 32.12 1ilf n PRO 70 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ilf h ALA 71 N 11.90 1.71 -0.70 3.55 0.00 -1.99 -0.70 119.26 133.03 1ilf h ALA 71 Ca -0.38 -0.01 -0.47 0.00 0.00 0.00 0.00 54.91 54.06 1ilf h ALA 71 Cb 1.29 0.01 -0.20 0.00 0.00 0.00 0.00 17.79 18.89 1ilf h ALA 71 CO 0.98 -0.54 0.60 0.43 0.00 0.00 0.00 179.25 180.72 1ilf n SER 72 N -3.15 6.80 -4.20 0.00 7.64 -1.26 -4.90 113.62 114.55 1ilf n SER 72 Ca 0.02 -3.36 -0.28 0.00 1.01 0.00 0.00 58.87 56.27 1ilf n SER 72 Cb 0.55 -1.01 -0.16 0.00 -1.01 0.00 0.00 64.21 62.58 1ilf n SER 72 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 1ilf s TRP 73 N -2.64 1.94 -0.05 1.43 0.52 -0.27 -5.02 118.94 114.84 1ilf s TRP 73 Ca 0.45 -0.47 0.12 0.00 0.02 0.00 0.00 56.10 56.21 1ilf s TRP 73 Cb 0.35 -1.27 -0.23 0.00 -1.15 0.00 0.00 33.47 31.17 1ilf s TRP 73 CO -0.00 -0.11 0.63 0.00 0.02 0.00 0.00 176.95 177.48 1ilf n GLN 74 N 2.83 0.64 -3.74 4.98 0.00 -1.26 -4.84 117.38 115.99 1ilf n GLN 74 Ca -0.17 0.29 -0.24 0.00 0.00 0.00 0.00 57.00 56.88 1ilf n GLN 74 Cb 0.53 -1.78 -0.17 0.00 0.00 0.00 0.00 30.24 28.81 1ilf n GLN 74 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 1ilf s GLY 75 N -5.15 0.51 -0.64 2.61 0.00 -1.26 -5.03 107.32 98.36 1ilf s GLY 75 Ca -0.06 -0.28 -0.05 0.00 0.00 0.00 0.00 44.72 44.33 1ilf s GLY 75 CO 0.82 1.29 2.86 1.18 0.00 0.00 0.00 173.10 179.25 1ilf n GLU 76 N 5.14 2.91 0.00 2.90 1.02 -1.26 -3.92 120.64 127.43 1ilf n GLU 76 Ca -0.07 -2.34 0.00 0.00 -0.02 0.00 0.00 57.16 54.73 1ilf n GLU 76 Cb 0.49 -2.27 0.00 0.00 -0.02 0.00 0.00 31.44 29.64 1ilf n GLU 76 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1ilf n GLN 77 N 1.54 0.00 0.00 3.49 3.00 -1.26 -5.01 117.38 119.14 1ilf n GLN 77 Ca 0.53 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.52 1ilf n GLN 77 Cb 0.53 -0.13 0.00 0.00 0.00 0.00 0.00 30.24 30.64 1ilf n GLN 77 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 1ilf n ARG 78 N -2.20 0.00 -2.24 -1.09 1.74 -1.25 -4.72 116.66 106.89 1ilf n ARG 78 Ca 0.00 0.12 -0.29 0.00 -0.77 0.00 0.00 57.85 56.91 1ilf n ARG 78 Cb 0.00 -0.65 0.02 0.00 -1.02 0.00 0.00 32.46 30.81 1ilf n ARG 78 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1ilf s GLN 79 N -0.30 3.35 0.36 5.56 -0.21 -1.26 -5.06 119.66 122.09 1ilf s GLN 79 Ca 0.00 0.37 -0.21 0.00 0.02 0.00 0.00 55.36 55.54 1ilf s GLN 79 Cb 0.00 -2.21 -0.10 0.00 1.00 0.00 0.00 33.01 31.70 1ilf s GLN 79 CO 0.00 -0.53 0.88 -0.08 -2.12 0.00 0.00 175.29 173.44 1ilf s THR 80 N -3.01 4.43 0.44 -0.19 -1.32 -1.26 -4.97 115.64 109.76 1ilf s THR 80 Ca 0.53 1.43 -0.21 0.00 -1.21 0.00 0.00 61.69 62.23 1ilf s THR 80 Cb -0.11 -3.73 -0.14 0.00 -1.51 0.00 0.00 72.50 67.01 1ilf s THR 80 CO 0.49 -0.12 0.20 -0.81 -2.21 0.00 0.00 174.62 172.17 1ilf n PRO 81 N -0.14 0.18 -3.77 7.08 -0.04 -1.26 -4.98 135.00 132.08 1ilf n PRO 81 Ca 0.04 0.07 -0.21 0.00 -0.04 0.00 0.00 63.50 63.36 1ilf n PRO 81 Cb 0.53 -1.19 -0.01 0.00 -0.04 0.00 0.00 33.50 32.78 1ilf n PRO 81 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1ilf s SER 82 N -1.01 6.24 0.00 3.54 0.01 -1.26 -4.97 113.70 116.25 1ilf s SER 82 Ca 0.61 0.08 0.17 0.00 1.31 0.00 0.00 55.95 58.12 1ilf s SER 82 Cb -0.59 -1.76 0.95 0.00 0.21 0.00 0.00 66.02 64.83 1ilf s SER 82 CO 0.61 -0.19 1.48 0.54 0.41 0.00 0.00 173.24 176.10 1ilf n ARG 83 N -1.52 0.38 0.20 12.44 1.74 -1.08 -1.38 116.66 127.44 1ilf n ARG 83 Ca -0.06 0.07 -0.15 0.00 -0.77 0.00 0.00 57.85 56.94 1ilf n ARG 83 Cb 0.57 -1.50 -0.08 0.00 -1.02 0.00 0.00 32.46 30.43 1ilf n ARG 83 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1ilf h GLU 84 N 0.00 -0.41 0.00 5.56 5.08 -1.98 -3.34 114.58 119.49 1ilf h GLU 84 Ca 0.00 0.03 -0.14 0.00 -1.00 0.00 0.00 59.36 58.25 1ilf h GLU 84 Cb 0.09 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 1ilf h GLU 84 CO 0.00 -0.27 -1.72 0.66 -1.00 0.00 0.00 179.01 176.68 1ilf n TYR 85 N -5.27 0.00 -3.70 4.33 4.02 -1.20 -4.75 117.16 110.59 1ilf n TYR 85 Ca -0.10 0.00 -0.28 0.00 -0.01 0.00 0.00 57.90 57.51 1ilf n TYR 85 Cb 0.19 -0.48 -0.16 0.00 -0.02 0.00 0.00 39.34 38.87 1ilf n TYR 85 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 1ilf s VAL 86 N -2.48 0.39 0.09 -0.72 -7.23 -0.48 0.56 120.40 110.53 1ilf s VAL 86 Ca -0.05 -0.57 0.08 0.00 -1.81 0.00 0.00 61.98 59.62 1ilf s VAL 86 Cb 0.05 -1.00 -0.04 0.00 0.56 0.00 0.00 36.38 35.96 1ilf s VAL 86 CO 0.49 -0.31 -0.15 -0.62 -0.31 0.00 0.00 175.10 174.20 1ilf s ASP 87 N 1.91 4.03 -0.14 4.85 -1.08 -1.16 -2.64 116.67 122.45 1ilf s ASP 87 Ca 0.01 -0.46 0.00 0.00 -0.52 0.00 0.00 52.55 51.59 1ilf s ASP 87 Cb -0.17 -0.67 -0.09 0.00 -1.46 0.00 0.00 42.92 40.54 1ilf s ASP 87 CO -0.12 0.20 -0.12 0.18 0.52 0.00 0.00 175.17 175.83 1ilf n LEU 88 N 1.02 2.83 -3.83 -1.34 7.99 -1.26 -3.78 117.00 118.62 1ilf n LEU 88 Ca -0.15 -0.05 -0.13 0.00 -0.01 0.00 0.00 56.01 55.66 1ilf n LEU 88 Cb 0.52 -0.47 -0.15 0.00 -0.11 0.00 0.00 43.42 43.22 1ilf n LEU 88 CO 0.29 0.69 -0.36 -0.70 -1.51 0.00 0.00 177.39 175.81 1ilf s GLU 89 N -2.27 -0.01 0.00 3.23 2.12 -1.26 -4.59 118.70 115.92 1ilf s GLU 89 Ca -0.18 0.07 0.00 0.00 0.36 0.00 0.00 54.97 55.22 1ilf s GLU 89 Cb 0.05 -0.09 0.00 0.00 0.26 0.00 0.00 34.13 34.35 1ilf s GLU 89 CO 0.31 -0.06 0.00 2.89 -0.54 0.00 0.00 175.26 177.85 1ilf n ARG 90 N 3.48 0.00 0.00 4.30 -4.01 -1.26 -5.10 116.66 114.07 1ilf n ARG 90 Ca -0.18 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.63 1ilf n ARG 90 Cb 0.56 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 29.98 1ilf n ARG 90 CO 0.00 0.00 0.00 0.39 -3.04 0.00 0.00 177.63 174.98 1ilf n GLU 91 N -0.36 0.00 -0.50 2.89 1.02 -1.26 -5.15 120.64 117.28 1ilf n GLU 91 Ca 0.00 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.84 1ilf n GLU 91 Cb 0.00 0.00 0.28 0.00 -0.02 0.00 0.00 31.44 31.70 1ilf n GLU 91 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ilf s ALA 92 N -1.80 -0.51 -0.39 0.62 0.00 -1.26 -4.91 121.76 113.51 1ilf s ALA 92 Ca 0.00 -0.82 0.08 0.00 0.00 0.00 0.00 51.96 51.22 1ilf s ALA 92 Cb 0.00 -2.94 0.58 0.00 0.00 0.00 0.00 23.12 20.76 1ilf s ALA 92 CO 0.00 -4.41 1.55 0.41 0.00 0.00 0.00 175.76 173.31 1ilf n GLY 93 N 0.96 3.12 3.58 0.00 0.00 -1.26 -4.91 105.19 106.68 1ilf n GLY 93 Ca 0.12 -0.75 -0.27 0.00 0.00 0.00 0.00 46.02 45.12 1ilf n GLY 93 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ilf s LYS 94 N -2.41 1.98 -0.20 1.61 -0.14 -1.26 -4.38 119.74 114.94 1ilf s LYS 94 Ca 0.42 -2.22 0.01 0.00 -1.36 0.00 0.00 55.97 52.83 1ilf s LYS 94 Cb 0.34 -0.89 0.03 0.00 -1.68 0.00 0.00 37.83 35.62 1ilf s LYS 94 CO 0.11 -0.42 -0.17 0.54 -0.76 0.00 0.00 175.35 174.65 1ilf s VAL 95 N -3.12 2.19 -0.05 3.17 0.11 -0.93 -4.78 120.40 116.99 1ilf s VAL 95 Ca 0.20 -1.06 0.02 0.00 -2.93 0.00 0.00 61.98 58.21 1ilf s VAL 95 Cb 0.03 -2.01 -0.03 0.00 -1.53 0.00 0.00 36.38 32.84 1ilf s VAL 95 CO 0.12 0.40 -0.09 -0.72 -3.33 0.00 0.00 175.10 171.48 1ilf s TYR 96 N 1.26 2.87 0.04 1.54 -0.85 -1.25 -1.89 117.35 119.06 1ilf s TYR 96 Ca 0.02 -0.03 -0.01 0.00 -0.52 0.00 0.00 57.07 56.53 1ilf s TYR 96 Cb -0.15 -1.67 -0.03 0.00 0.38 0.00 0.00 41.96 40.49 1ilf s TYR 96 CO -0.11 0.30 -0.03 -0.48 -1.52 0.00 0.00 175.55 173.72 1ilf s LEU 97 N -0.89 2.35 -0.13 -3.49 -0.00 -0.82 -2.98 118.68 112.71 1ilf s LEU 97 Ca 0.13 -0.75 0.03 0.00 -0.00 0.00 0.00 54.13 53.54 1ilf s LEU 97 Cb -0.11 0.17 0.01 0.00 -0.00 0.00 0.00 46.19 46.26 1ilf s LEU 97 CO 0.02 -0.45 -0.22 -0.54 -0.00 0.00 0.00 176.35 175.15 1ilf s LYS 98 N -2.71 3.03 -0.06 1.48 1.02 0.19 -2.15 119.74 120.54 1ilf s LYS 98 Ca -0.04 -0.86 0.05 0.00 0.02 0.00 0.00 55.97 55.13 1ilf s LYS 98 Cb -0.01 -2.41 -0.02 0.00 -0.52 0.00 0.00 37.83 34.87 1ilf s LYS 98 CO -0.06 0.02 -0.19 0.00 -0.92 0.00 0.00 175.35 174.20 1ilf s ALA 99 N 0.73 2.43 -0.33 5.17 0.00 -0.23 -4.51 121.76 125.01 1ilf s ALA 99 Ca -0.09 -1.02 -0.20 0.00 0.00 0.00 0.00 51.96 50.66 1ilf s ALA 99 Cb -0.16 -0.84 -0.00 0.00 0.00 0.00 0.00 23.12 22.12 1ilf s ALA 99 CO 0.00 0.48 0.60 -1.25 0.00 0.00 0.00 175.76 175.59 1ilf s PRO 100 N -0.43 3.76 0.25 0.00 0.04 -1.26 -1.86 135.00 135.51 1ilf s PRO 100 Ca 0.05 0.10 0.04 0.00 0.04 0.00 0.00 61.00 61.23 1ilf s PRO 100 Cb -0.12 -3.77 -0.05 0.00 0.04 0.00 0.00 34.50 30.59 1ilf s PRO 100 CO 0.02 -0.65 0.01 -1.64 0.04 0.00 0.00 177.00 174.78 1ilf s MET 101 N 2.60 1.42 -0.39 4.56 -1.94 -0.81 -4.86 119.30 119.88 1ilf s MET 101 Ca 0.23 -1.74 -0.07 0.00 -1.71 0.00 0.00 55.69 52.40 1ilf s MET 101 Cb -0.15 -0.70 0.07 0.00 2.01 0.00 0.00 34.83 36.07 1ilf s MET 101 CO 0.13 -0.11 0.21 0.42 -0.01 0.00 0.00 175.02 175.66 1ilf s ILE 102 N -3.37 3.94 0.07 2.53 -1.09 -1.26 -1.32 121.20 120.69 1ilf s ILE 102 Ca 0.31 -1.43 0.01 0.00 -2.23 0.00 0.00 60.65 57.31 1ilf s ILE 102 Cb 0.06 -3.40 -0.04 0.00 -1.58 0.00 0.00 42.46 37.50 1ilf s ILE 102 CO 0.11 -0.44 0.16 -0.76 -1.23 0.00 0.00 174.94 172.78 1ilf s LEU 103 N 1.37 4.15 0.00 2.97 1.43 -0.41 -4.81 118.68 123.38 1ilf s LEU 103 Ca 0.02 0.17 0.00 0.00 -1.03 0.00 0.00 54.13 53.29 1ilf s LEU 103 Cb -0.22 -2.78 0.00 0.00 0.03 0.00 0.00 46.19 43.22 1ilf s LEU 103 CO 0.01 0.17 0.00 0.59 0.23 0.00 0.00 176.35 177.35 1ilf n ASN 104 N 0.36 0.00 -3.91 2.29 3.02 -1.26 0.15 115.26 115.92 1ilf n ASN 104 Ca -0.06 0.00 -0.28 0.00 -0.03 0.00 0.00 54.58 54.20 1ilf n ASN 104 Cb 0.51 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.68 1ilf n ASN 104 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ilf n GLY 105 N -0.01 -0.43 3.53 7.41 0.00 -1.22 -4.70 105.19 109.77 1ilf n GLY 105 Ca 0.00 0.23 -0.15 0.00 0.00 0.00 0.00 46.02 46.10 1ilf n GLY 105 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ilf s VAL 106 N -3.84 0.00 -0.34 1.61 1.01 0.41 -0.72 120.40 118.53 1ilf s VAL 106 Ca 0.14 0.00 -0.21 0.00 0.00 0.00 0.00 61.98 61.90 1ilf s VAL 106 Cb -0.05 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.33 1ilf s VAL 106 CO 0.89 0.00 0.69 0.00 0.00 0.00 0.00 175.10 176.68 1ilf s VAL 108 N 2.81 2.88 -0.20 0.00 -7.23 -0.43 -0.67 120.40 117.55 1ilf s VAL 108 Ca 0.27 -2.06 -0.05 0.00 -1.81 0.00 0.00 61.98 58.34 1ilf s VAL 108 Cb -0.14 -2.69 0.07 0.00 0.56 0.00 0.00 36.38 34.18 1ilf s VAL 108 CO 0.14 -0.31 0.11 -0.63 -0.31 0.00 0.00 175.10 174.10 1ilf s ILE 109 N -2.45 -0.11 -0.26 -0.62 1.01 0.20 -1.92 121.20 117.05 1ilf s ILE 109 Ca 0.32 -0.29 -0.16 0.00 0.00 0.00 0.00 60.65 60.52 1ilf s ILE 109 Cb -0.04 -0.68 -0.03 0.00 0.01 0.00 0.00 42.46 41.72 1ilf s ILE 109 CO 0.18 -0.38 0.43 0.86 0.00 0.00 0.00 174.94 176.04 1ilf s TRP 110 N 2.15 3.27 -0.03 3.97 -0.00 -0.78 0.38 118.94 127.90 1ilf s TRP 110 Ca 0.04 0.52 0.05 0.00 -0.00 0.00 0.00 56.10 56.71 1ilf s TRP 110 Cb -0.16 -2.62 -0.01 0.00 -0.00 0.00 0.00 33.47 30.68 1ilf s TRP 110 CO -0.16 -0.22 -0.17 0.21 -0.00 0.00 0.00 176.95 176.61 1ilf s LYS 111 N 2.07 1.62 -0.16 5.86 2.36 0.75 -1.07 119.74 131.17 1ilf s LYS 111 Ca 0.18 -0.61 -0.32 0.00 -2.55 0.00 0.00 55.97 52.66 1ilf s LYS 111 Cb -0.16 -1.47 0.14 0.00 -1.05 0.00 0.00 37.83 35.29 1ilf s LYS 111 CO 0.09 0.30 1.12 0.20 1.55 0.00 0.00 175.35 178.62 1ilf s GLY 112 N -0.15 -0.27 0.17 5.54 0.00 -0.91 0.19 107.32 111.89 1ilf s GLY 112 Ca 0.01 1.74 0.10 0.00 0.00 0.00 0.00 44.72 46.57 1ilf s GLY 112 CO 0.01 0.68 -0.16 0.66 0.00 0.00 0.00 173.10 174.28 1ilf s TRP 113 N -2.09 2.50 0.03 1.90 1.48 0.66 -1.95 118.94 121.47 1ilf s TRP 113 Ca 0.06 -0.28 0.07 0.00 -1.06 0.00 0.00 56.10 54.90 1ilf s TRP 113 Cb -0.01 -1.25 -0.02 0.00 -1.16 0.00 0.00 33.47 31.03 1ilf s TRP 113 CO -0.05 0.48 -0.22 0.42 -4.06 0.00 0.00 176.95 173.53 1ilf s ILE 114 N -1.57 1.73 0.06 0.66 -1.09 -0.79 -1.44 121.20 118.76 1ilf s ILE 114 Ca 0.22 -1.17 -0.24 0.00 -2.23 0.00 0.00 60.65 57.23 1ilf s ILE 114 Cb -0.09 -1.49 -0.06 0.00 -1.58 0.00 0.00 42.46 39.24 1ilf s ILE 114 CO 0.12 0.28 0.72 1.51 -1.23 0.00 0.00 174.94 176.34 1ilf s ASP 115 N -1.06 7.19 0.00 3.58 1.47 -0.68 -2.20 116.67 124.97 1ilf s ASP 115 Ca 0.08 1.42 0.00 0.00 1.18 0.00 0.00 52.55 55.23 1ilf s ASP 115 Cb -0.09 -2.45 0.00 0.00 -0.34 0.00 0.00 42.92 40.05 1ilf s ASP 115 CO 0.01 0.09 0.69 0.18 0.68 0.00 0.00 175.17 176.83 1ilf n LEU 116 N 2.46 0.11 0.00 2.11 4.77 -1.26 -0.90 117.00 124.30 1ilf n LEU 116 Ca -0.05 -0.06 -0.01 0.00 -0.03 0.00 0.00 56.01 55.86 1ilf n LEU 116 Cb 0.50 -0.06 -0.00 0.00 -2.33 0.00 0.00 43.42 41.53 1ilf n LEU 116 CO 0.46 0.03 -0.10 1.57 -1.33 0.00 0.00 177.39 178.01 1ilf n HIS 117 N -0.40 0.00 1.01 -1.77 -0.00 -1.26 -4.77 115.22 108.02 1ilf n HIS 117 Ca 0.00 0.00 0.12 0.00 0.46 0.00 0.00 57.72 58.30 1ilf n HIS 117 Cb 0.03 -0.07 0.31 0.00 -0.12 0.00 0.00 29.99 30.13 1ilf n HIS 117 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 1ilf n ARG 118 N -3.10 0.03 -2.28 1.57 1.74 -1.25 -4.94 116.66 108.42 1ilf n ARG 118 Ca -0.02 -0.01 -0.14 0.00 -0.77 0.00 0.00 57.85 56.91 1ilf n ARG 118 Cb 0.08 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 30.01 1ilf n ARG 118 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1ilf n LEU 119 N -1.47 -1.65 -4.09 0.55 4.77 -0.08 -4.90 117.00 110.12 1ilf n LEU 119 Ca 0.06 -0.02 -0.18 0.00 -0.03 0.00 0.00 56.01 55.84 1ilf n LEU 119 Cb 0.34 -2.12 -0.13 0.00 -2.33 0.00 0.00 43.42 39.18 1ilf n LEU 119 CO 0.34 -0.13 -0.44 -1.81 -1.33 0.00 0.00 177.39 174.01 1ilf s ASP 120 N -2.39 1.35 0.00 -1.43 1.01 -1.24 -1.91 116.67 112.05 1ilf s ASP 120 Ca 0.01 -0.38 0.00 0.00 0.71 0.00 0.00 52.55 52.88 1ilf s ASP 120 Cb -0.00 -0.09 0.00 0.00 1.01 0.00 0.00 42.92 43.84 1ilf s ASP 120 CO 0.01 0.02 0.00 0.61 0.21 0.00 0.00 175.17 176.02 1ilf n GLY 121 N 2.11 3.67 2.95 0.21 0.00 -0.75 -1.69 105.19 111.69 1ilf n GLY 121 Ca -0.17 -0.15 -0.11 0.00 0.00 0.00 0.00 46.02 45.58 1ilf n GLY 121 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1ilf s MET 122 N 4.68 0.23 0.28 1.61 1.00 -0.52 -1.41 119.30 125.16 1ilf s MET 122 Ca 0.00 -0.35 0.02 0.00 0.00 0.00 0.00 55.69 55.36 1ilf s MET 122 Cb 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 34.83 34.79 1ilf s MET 122 CO 0.00 -0.00 0.06 0.41 0.00 0.00 0.00 175.02 175.49 1ilf n GLY 123 N 2.30 3.65 3.64 -0.03 0.00 -0.64 -0.25 105.19 113.86 1ilf n GLY 123 Ca -0.18 -2.13 -0.03 0.00 0.00 0.00 0.00 46.02 43.67 1ilf n GLY 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ilf s LEU 125 N -0.65 4.11 0.07 0.00 1.43 -0.72 -0.18 118.68 122.75 1ilf s LEU 125 Ca 0.07 -0.01 -0.12 0.00 -1.03 0.00 0.00 54.13 53.05 1ilf s LEU 125 Cb -0.02 -2.86 0.01 0.00 0.03 0.00 0.00 46.19 43.35 1ilf s LEU 125 CO -0.10 -0.28 0.26 -1.61 0.23 0.00 0.00 176.35 174.86 1ilf s GLU 126 N -4.12 0.84 -0.04 1.70 2.02 0.16 -4.26 118.70 115.00 1ilf s GLU 126 Ca 0.40 -0.70 0.03 0.00 0.02 0.00 0.00 54.97 54.72 1ilf s GLU 126 Cb -0.09 0.35 -0.03 0.00 0.10 0.00 0.00 34.13 34.46 1ilf s GLU 126 CO 0.31 -0.27 -0.13 0.12 0.02 0.00 0.00 175.26 175.31 1ilf s PHE 127 N -3.15 2.75 -0.53 1.61 2.19 -1.26 0.59 117.98 120.18 1ilf s PHE 127 Ca -0.01 -0.12 -0.22 0.00 0.33 0.00 0.00 56.93 56.91 1ilf s PHE 127 Cb 0.01 -1.63 0.05 0.00 -1.31 0.00 0.00 43.02 40.14 1ilf s PHE 127 CO -0.07 0.24 0.81 0.34 1.83 0.00 0.00 175.22 178.36 1ilf s ASP 128 N -0.86 6.29 0.34 6.13 -1.08 0.16 -4.88 116.67 122.77 1ilf s ASP 128 Ca 0.12 -0.57 0.20 0.00 -0.52 0.00 0.00 52.55 51.79 1ilf s ASP 128 Cb -0.11 -2.38 0.18 0.00 -1.46 0.00 0.00 42.92 39.16 1ilf s ASP 128 CO 0.02 -1.08 1.45 -0.33 0.52 0.00 0.00 175.17 175.74 1ilf h GLU 129 N 9.17 0.00 0.18 4.34 5.08 -1.98 -0.99 114.58 130.38 1ilf h GLU 129 Ca -0.27 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 57.80 1ilf h GLU 129 Cb 1.08 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.35 1ilf h GLU 129 CO 1.03 0.18 -1.42 1.05 -1.00 0.00 0.00 179.01 178.86 1ilf h GLU 130 N 0.00 0.38 0.09 2.33 4.11 -2.00 -3.32 114.58 116.18 1ilf h GLU 130 Ca -0.01 -0.65 -0.26 0.00 0.07 0.00 0.00 59.36 58.51 1ilf h GLU 130 Cb 1.16 0.24 -0.01 0.00 0.50 0.00 0.00 28.75 30.65 1ilf h GLU 130 CO 0.02 1.31 -1.23 -0.09 0.07 0.00 0.00 179.01 179.10 1ilf h ARG 131 N -0.08 0.18 -0.17 1.06 2.43 -1.98 -3.32 114.38 112.51 1ilf h ARG 131 Ca -0.27 -0.31 0.04 0.00 -0.81 0.00 0.00 59.98 58.63 1ilf h ARG 131 Cb 1.95 0.12 -0.07 0.00 -0.42 0.00 0.00 29.97 31.55 1ilf h ARG 131 CO 0.17 1.12 -0.47 0.00 -1.51 0.00 0.00 179.97 179.28 1ilf h ALA 132 N 0.70 -0.68 -0.72 2.80 0.00 -1.32 0.08 119.26 120.13 1ilf h ALA 132 Ca -0.12 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 54.85 1ilf h ALA 132 Cb 1.92 0.89 -0.05 0.00 0.00 0.00 0.00 17.79 20.56 1ilf h ALA 132 CO 0.17 -0.98 0.47 1.96 0.00 0.00 0.00 179.25 180.87 1ilf h GLN 133 N -0.51 0.69 -0.62 0.00 4.20 -1.70 -1.88 115.11 115.30 1ilf h GLN 133 Ca 0.07 -0.04 -0.08 0.00 0.06 0.00 0.00 58.65 58.65 1ilf h GLN 133 Cb 0.64 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.24 1ilf h GLN 133 CO -0.44 0.46 0.06 0.37 -0.67 0.00 0.00 178.83 178.61 1ilf h GLN 134 N 0.71 1.05 -0.97 1.46 4.15 -1.26 -2.04 115.11 118.22 1ilf h GLN 134 Ca 0.31 -0.30 0.22 0.00 0.77 0.00 0.00 58.65 59.65 1ilf h GLN 134 Cb 0.31 -0.11 -0.08 0.00 0.21 0.00 0.00 27.48 27.81 1ilf h GLN 134 CO -0.11 1.00 0.63 0.93 -1.93 0.00 0.00 178.83 179.35 1ilf h GLU 135 N 0.96 0.46 -0.16 1.69 5.08 -0.18 0.90 114.58 123.32 1ilf h GLU 135 Ca 0.18 -0.03 -0.19 0.00 -1.00 0.00 0.00 59.36 58.32 1ilf h GLU 135 Cb 0.48 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1ilf h GLU 135 CO 0.02 0.30 -0.67 -0.44 -1.00 0.00 0.00 179.01 177.22 1ilf h ASP 136 N 0.47 0.75 -0.11 1.42 5.19 -1.37 0.20 116.42 122.97 1ilf h ASP 136 Ca 0.53 -0.45 -0.02 0.00 -0.62 0.00 0.00 57.03 56.46 1ilf h ASP 136 Cb 1.22 -0.22 -0.00 0.00 0.18 0.00 0.00 39.33 40.51 1ilf h ASP 136 CO -0.25 1.21 -0.02 0.00 -3.12 0.00 0.00 179.24 177.06 1ilf h ALA 137 N 0.78 0.16 -0.28 3.45 0.00 0.11 0.29 119.26 123.77 1ilf h ALA 137 Ca -0.02 -0.22 -0.16 0.00 0.00 0.00 0.00 54.91 54.51 1ilf h ALA 137 Cb 1.26 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 1ilf h ALA 137 CO 0.13 -0.11 -0.45 -0.07 0.00 0.00 0.00 179.25 178.76 1ilf h LEU 138 N -0.10 0.88 -1.19 0.00 3.38 0.26 -2.87 115.31 115.68 1ilf h LEU 138 Ca 0.03 -0.52 -0.02 0.00 0.09 0.00 0.00 57.88 57.46 1ilf h LEU 138 Cb 0.43 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 1ilf h LEU 138 CO 0.01 1.23 -0.11 0.00 0.09 0.00 0.00 178.44 179.66 1ilf h ALA 139 N 0.68 1.01 -3.23 1.53 0.00 -0.61 -3.39 119.26 115.25 1ilf h ALA 139 Ca 0.02 -0.10 -0.57 0.00 0.00 0.00 0.00 54.91 54.26 1ilf h ALA 139 Cb 1.05 -0.02 -0.40 0.00 0.00 0.00 0.00 17.79 18.42 1ilf h ALA 139 CO 0.10 0.14 -0.76 -0.65 0.00 0.00 0.00 179.25 178.08 1ilf s GLN 140 N -3.63 0.80 0.00 0.00 -0.21 0.10 -4.97 119.66 111.75 1ilf s GLN 140 Ca 0.01 -0.94 0.24 0.00 0.02 0.00 0.00 55.36 54.70 1ilf s GLN 140 Cb 0.09 -2.09 0.24 0.00 1.00 0.00 0.00 33.01 32.26 1ilf s GLN 140 CO 0.60 -0.87 1.29 1.04 -2.12 0.00 0.00 175.29 175.22