#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 0.97 0.19 0.03 -0.02 -1.26 -4.85 135.00 130.07 1ilf n PRO 2 Ca 0.00 0.25 -0.15 0.00 -2.02 0.00 0.00 63.50 61.58 1ilf n PRO 2 Cb 0.00 -2.42 -0.08 0.00 -0.02 0.00 0.00 33.50 30.98 1ilf n PRO 2 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1ilf h ARG 3 N 12.58 -0.42 -5.19 -0.52 2.43 -2.01 -3.41 114.38 117.84 1ilf h ARG 3 Ca -0.25 0.03 -0.67 0.00 -0.81 0.00 0.00 59.98 58.28 1ilf h ARG 3 Cb 1.32 0.10 -0.31 0.00 -0.42 0.00 0.00 29.97 30.66 1ilf h ARG 3 CO 1.05 -0.23 -0.81 0.14 -1.51 0.00 0.00 179.97 178.61 1ilf s VAL 4 N -5.81 2.63 0.37 0.20 -7.23 -1.26 -2.76 120.40 106.54 1ilf s VAL 4 Ca -0.15 -0.78 -0.15 0.00 -1.81 0.00 0.00 61.98 59.09 1ilf s VAL 4 Cb 0.04 -2.11 -0.09 0.00 0.56 0.00 0.00 36.38 34.79 1ilf s VAL 4 CO 0.62 0.52 0.79 0.68 -0.31 0.00 0.00 175.10 177.40 1ilf s VAL 5 N 0.83 4.65 0.11 1.32 -7.23 -0.93 -4.96 120.40 114.19 1ilf s VAL 5 Ca -0.05 0.98 -0.09 0.00 -1.81 0.00 0.00 61.98 61.01 1ilf s VAL 5 Cb -0.15 -3.64 0.10 0.00 0.56 0.00 0.00 36.38 33.25 1ilf s VAL 5 CO -0.01 -0.30 0.74 -2.65 -0.31 0.00 0.00 175.10 172.58 1ilf n PRO 6 N -0.65 -0.12 -3.78 4.82 -0.02 -1.26 -2.23 135.00 131.76 1ilf n PRO 6 Ca 0.04 0.73 -0.29 0.00 -2.02 0.00 0.00 63.50 61.96 1ilf n PRO 6 Cb 0.53 -1.09 -0.13 0.00 -0.02 0.00 0.00 33.50 32.80 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 -5.18 3.86 0.28 2.55 1.11 -1.26 -4.94 116.67 113.08 1ilf s ASP 7 Ca -0.06 -3.04 -0.03 0.00 0.18 0.00 0.00 52.55 49.59 1ilf s ASP 7 Cb 0.09 -1.26 0.38 0.00 1.07 0.00 0.00 42.92 43.20 1ilf s ASP 7 CO 0.34 -0.21 1.94 0.06 1.18 0.00 0.00 175.17 178.48 1ilf h GLN 8 N 6.27 1.16 0.00 8.23 -0.00 -1.74 0.86 115.11 129.89 1ilf h GLN 8 Ca 0.04 -0.08 -0.05 0.00 -0.00 0.00 0.00 58.65 58.55 1ilf h GLN 8 Cb 0.88 -0.25 -0.01 0.00 -0.00 0.00 0.00 27.48 28.10 1ilf h GLN 8 CO 0.57 0.78 -0.25 0.00 -0.00 0.00 0.00 178.83 179.93 1ilf h ARG 9 N 1.18 0.00 -0.53 0.06 -0.00 -1.92 -2.14 114.38 111.03 1ilf h ARG 9 Ca 0.32 0.00 -0.05 0.00 -0.50 0.00 0.00 59.98 59.75 1ilf h ARG 9 Cb -0.11 0.00 -0.02 0.00 0.00 0.00 0.00 29.97 29.84 1ilf h ARG 9 CO -0.07 0.25 0.14 0.77 0.00 0.00 0.00 179.97 181.07 1ilf h SER 10 N 0.00 0.75 0.13 7.04 0.02 -1.23 0.49 113.55 120.75 1ilf h SER 10 Ca -0.00 -0.12 -0.26 0.00 -0.84 0.00 0.00 61.79 60.56 1ilf h SER 10 Cb 0.77 -0.19 0.01 0.00 0.14 0.00 0.00 62.40 63.12 1ilf h SER 10 CO 0.03 0.72 -1.30 0.11 -1.14 0.00 0.00 176.83 175.26 1ilf h LYS 11 N 0.78 0.28 0.00 3.45 6.56 -1.30 0.14 116.57 126.49 1ilf h LYS 11 Ca 0.17 -0.48 -0.00 0.00 -1.06 0.00 0.00 60.65 59.28 1ilf h LYS 11 Cb 0.27 0.18 -0.00 0.00 -0.57 0.00 0.00 32.23 32.11 1ilf h LYS 11 CO -0.00 1.23 -0.02 0.35 -2.06 0.00 0.00 179.45 178.95 1ilf h PHE 12 N -0.27 0.00 0.00 -1.35 3.04 -1.33 0.49 116.94 117.51 1ilf h PHE 12 Ca -0.27 0.00 -0.36 0.00 3.98 0.00 0.00 57.97 61.32 1ilf h PHE 12 Cb 1.78 0.00 -0.07 0.00 2.56 0.00 0.00 35.95 40.22 1ilf h PHE 12 CO 0.14 0.02 -2.38 -0.85 -2.02 0.00 0.00 178.31 173.22 1ilf n GLU 13 N -3.14 0.69 -0.10 1.11 0.28 0.17 -4.30 120.64 115.36 1ilf n GLU 13 Ca -0.01 -0.01 -0.10 0.00 -0.16 0.00 0.00 57.16 56.89 1ilf n GLU 13 Cb 0.25 -1.52 -0.16 0.00 1.43 0.00 0.00 31.44 31.44 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 -2.75 0.08 -4.75 -1.84 4.05 0.51 -4.91 115.26 105.64 1ilf n ASN 14 Ca -0.32 0.00 -0.41 0.00 0.45 0.00 0.00 54.58 54.29 1ilf n ASN 14 Cb 1.15 1.00 -0.02 0.00 1.23 0.00 0.00 39.78 43.14 1ilf n ASN 14 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 1ilf s GLU 15 N -2.49 4.23 0.01 1.20 0.41 0.17 -4.91 118.70 117.31 1ilf s GLU 15 Ca -0.10 2.39 -0.14 0.00 -0.41 0.00 0.00 54.97 56.71 1ilf s GLU 15 Cb 0.06 -3.07 -0.08 0.00 -1.78 0.00 0.00 34.13 29.26 1ilf s GLU 15 CO 0.82 -0.46 0.96 1.05 -0.49 0.00 0.00 175.26 177.14 1ilf h GLU 16 N 4.64 -0.49 -0.79 1.61 4.11 -1.93 0.34 114.58 122.06 1ilf h GLU 16 Ca -0.47 0.03 0.05 0.00 0.07 0.00 0.00 59.36 59.04 1ilf h GLU 16 Cb 1.22 0.11 -0.05 0.00 0.50 0.00 0.00 28.75 30.53 1ilf h GLU 16 CO 0.76 -0.33 0.49 0.35 0.07 0.00 0.00 179.01 180.35 1ilf h PHE 17 N -0.64 0.91 0.00 2.06 3.04 -1.97 0.70 116.94 121.05 1ilf h PHE 17 Ca -0.05 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 61.91 1ilf h PHE 17 Cb 0.39 -0.30 -0.00 0.00 2.56 0.00 0.00 35.95 38.60 1ilf h PHE 17 CO 0.09 0.49 -0.05 0.35 -2.02 0.00 0.00 178.31 177.16 1ilf h PHE 18 N 0.92 0.00 0.00 0.41 3.04 -1.87 0.49 116.94 119.93 1ilf h PHE 18 Ca 0.33 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.28 1ilf h PHE 18 Cb 0.10 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.61 1ilf h PHE 18 CO -0.04 0.05 -0.12 0.00 -2.02 0.00 0.00 178.31 176.19 1ilf h ARG 19 N 0.00 0.00 -0.41 1.11 3.08 0.31 0.47 114.38 118.95 1ilf h ARG 19 Ca -0.00 0.00 0.12 0.00 0.07 0.00 0.00 59.98 60.17 1ilf h ARG 19 Cb 0.11 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 1ilf h ARG 19 CO 0.01 0.00 0.50 1.57 -1.07 0.00 0.00 179.97 180.97 1ilf h LYS 20 N -0.74 0.00 0.15 0.04 2.10 0.30 0.69 116.57 119.11 1ilf h LYS 20 Ca 0.00 0.00 -0.36 0.00 -2.00 0.00 0.00 60.65 58.29 1ilf h LYS 20 Cb 0.12 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.44 1ilf h LYS 20 CO 0.00 0.00 -1.90 -0.07 -2.00 0.00 0.00 179.45 175.48 1ilf h LEU 21 N 0.00 0.49 -0.57 7.07 -0.00 -0.11 -3.30 115.31 118.90 1ilf h LEU 21 Ca 0.19 -0.95 0.00 0.00 -0.00 0.00 0.00 57.88 57.12 1ilf h LEU 21 Cb 1.19 -0.16 0.00 0.00 -0.00 0.00 0.00 40.66 41.69 1ilf h LEU 21 CO -0.00 1.83 0.11 -0.24 -0.00 0.00 0.00 178.44 180.14 1ilf n SER 22 N -3.53 0.22 -1.86 -0.43 2.88 0.23 -2.30 113.62 108.83 1ilf n SER 22 Ca -0.29 0.53 0.00 0.00 -1.33 0.00 0.00 58.87 57.78 1ilf n SER 22 Cb 1.06 -0.54 0.00 0.00 -0.75 0.00 0.00 64.21 63.97 1ilf n SER 22 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1ilf n ARG 23 N -1.77 1.07 -4.23 -1.46 1.74 -0.30 -3.80 116.66 107.91 1ilf n ARG 23 Ca -0.01 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.72 1ilf n ARG 23 Cb 0.12 0.00 -0.09 0.00 -1.02 0.00 0.00 32.46 31.48 1ilf n ARG 23 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 1ilf s GLU 24 N -1.70 3.24 0.00 5.56 -1.05 -1.26 -2.06 118.70 121.43 1ilf s GLU 24 Ca 0.00 -0.35 0.00 0.00 -0.15 0.00 0.00 54.97 54.47 1ilf s GLU 24 Cb 0.00 -2.93 0.00 0.00 -0.44 0.00 0.00 34.13 30.76 1ilf s GLU 24 CO 0.00 0.64 0.00 0.00 0.95 0.00 0.00 175.26 176.85 1ilf s GLU 26 N -0.84 4.22 0.34 0.00 2.02 -1.26 -0.27 118.70 122.90 1ilf s GLU 26 Ca 0.00 0.22 0.08 0.00 0.02 0.00 0.00 54.97 55.29 1ilf s GLU 26 Cb 0.00 -3.50 -0.03 0.00 0.10 0.00 0.00 34.13 30.70 1ilf s GLU 26 CO 0.00 0.05 0.22 0.96 0.02 0.00 0.00 175.26 176.51 1ilf s ILE 27 N 1.02 3.29 -0.03 -1.63 -4.36 0.23 -1.71 121.20 118.01 1ilf s ILE 27 Ca 0.20 -1.53 -0.19 0.00 -0.26 0.00 0.00 60.65 58.87 1ilf s ILE 27 Cb -0.14 -3.08 0.03 0.00 1.25 0.00 0.00 42.46 40.52 1ilf s ILE 27 CO 0.07 -0.18 0.40 -1.59 0.24 0.00 0.00 174.94 173.89 1ilf s LYS 28 N -3.92 0.75 -0.16 0.37 0.00 -0.48 -1.17 119.74 115.14 1ilf s LYS 28 Ca 0.39 -0.06 -0.28 0.00 0.00 0.00 0.00 55.97 56.03 1ilf s LYS 28 Cb -0.04 0.34 -0.01 0.00 0.00 0.00 0.00 37.83 38.12 1ilf s LYS 28 CO 0.25 -0.21 0.95 -0.47 0.00 0.00 0.00 175.35 175.86 1ilf s TYR 29 N -1.24 3.43 0.00 1.78 5.04 -0.56 0.49 117.35 126.29 1ilf s TYR 29 Ca -0.12 1.43 0.03 0.00 -2.44 0.00 0.00 57.07 55.96 1ilf s TYR 29 Cb -0.04 -3.14 0.05 0.00 0.35 0.00 0.00 41.96 39.18 1ilf s TYR 29 CO 0.05 -0.30 0.87 0.25 -1.34 0.00 0.00 175.55 175.09 1ilf n THR 30 N 4.83 0.00 -0.02 4.34 -2.24 -1.26 -4.86 114.28 115.06 1ilf n THR 30 Ca 0.08 -0.11 -0.01 0.00 -2.27 0.00 0.00 64.05 61.74 1ilf n THR 30 Cb 0.48 0.41 -0.00 0.00 -2.10 0.00 0.00 70.33 69.11 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 0.11 -0.06 0.00 3.38 0.00 -1.89 -3.43 103.07 101.19 1ilf h GLY 31 Ca -0.32 0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.03 1ilf h GLY 31 CO -0.14 -0.02 0.00 1.97 0.00 0.00 0.00 176.54 178.35 1ilf n PHE 32 N -4.42 0.00 0.77 5.60 -1.74 -1.26 -4.74 117.46 111.67 1ilf n PHE 32 Ca -0.01 -0.15 0.11 0.00 -0.56 0.00 0.00 57.45 56.84 1ilf n PHE 32 Cb 0.02 -0.02 0.48 0.00 1.52 0.00 0.00 39.48 41.48 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 -0.15 0.00 0.02 3.97 -4.01 -1.26 -3.65 116.66 111.58 1ilf n ARG 33 Ca 0.00 0.12 0.01 0.00 -1.04 0.00 0.00 57.85 56.94 1ilf n ARG 33 Cb 0.30 -1.50 0.05 0.00 -3.04 0.00 0.00 32.46 28.26 1ilf n ARG 33 CO 0.00 0.00 0.00 -0.25 -3.04 0.00 0.00 177.63 174.34 1ilf n ASP 34 N -1.51 0.05 0.02 2.89 8.00 -1.26 -2.28 116.55 122.45 1ilf n ASP 34 Ca 0.05 0.32 0.00 0.00 0.71 0.00 0.00 54.79 55.87 1ilf n ASP 34 Cb 0.26 -0.31 0.00 0.00 -0.02 0.00 0.00 41.12 41.05 1ilf n ASP 34 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1ilf n ARG 35 N -1.39 0.00 -2.24 -1.24 3.00 -1.24 -4.91 116.66 108.64 1ilf n ARG 35 Ca -0.00 0.00 -0.40 0.00 -0.01 0.00 0.00 57.85 57.44 1ilf n ARG 35 Cb 0.24 -0.07 0.03 0.00 0.00 0.00 0.00 32.46 32.65 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 -2.72 4.00 -0.18 5.56 -0.04 -1.24 -4.84 135.00 135.54 1ilf n PRO 36 Ca 0.00 -4.03 -0.11 0.00 -0.04 0.00 0.00 63.50 59.32 1ilf n PRO 36 Cb 0.00 -2.36 -0.08 0.00 -0.04 0.00 0.00 33.50 31.02 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 3.57 -1.43 -0.53 0.54 2.76 -1.75 1.38 115.15 119.68 1ilf h HIS 37 Ca 0.56 0.08 0.15 0.00 -2.20 0.00 0.00 60.37 58.96 1ilf h HIS 37 Cb 0.17 0.69 -0.02 0.00 1.55 0.00 0.00 27.41 29.79 1ilf h HIS 37 CO 1.26 -0.37 0.54 0.93 -1.30 0.00 0.00 177.93 178.98 1ilf h GLU 38 N -0.23 0.00 0.14 5.26 5.08 -1.89 0.66 114.58 123.60 1ilf h GLU 38 Ca 0.08 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.11 1ilf h GLU 38 Cb 0.44 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.69 1ilf h GLU 38 CO -0.57 0.00 -1.64 1.49 -1.00 0.00 0.00 179.01 177.30 1ilf h GLU 39 N 0.00 0.29 -0.12 2.33 4.81 -0.53 -3.25 114.58 118.12 1ilf h GLU 39 Ca 0.25 -0.50 0.03 0.00 -0.13 0.00 0.00 59.36 59.02 1ilf h GLU 39 Cb 1.32 0.19 -0.00 0.00 0.63 0.00 0.00 28.75 30.88 1ilf h GLU 39 CO -0.00 1.17 0.20 0.00 -0.73 0.00 0.00 179.01 179.65 1ilf h ARG 40 N 0.08 0.00 -0.87 1.92 -0.00 0.75 0.16 114.38 116.42 1ilf h ARG 40 Ca -0.29 0.00 0.03 0.00 -0.50 0.00 0.00 59.98 59.22 1ilf h ARG 40 Cb 2.05 0.00 -0.05 0.00 0.00 0.00 0.00 29.97 31.97 1ilf h ARG 40 CO 0.16 0.00 0.56 -0.56 0.00 0.00 0.00 179.97 180.13 1ilf h GLN 41 N 0.00 1.08 0.05 0.04 -0.00 -1.24 1.14 115.11 116.18 1ilf h GLN 41 Ca 0.06 -0.06 -0.28 0.00 -0.00 0.00 0.00 58.65 58.36 1ilf h GLN 41 Cb 0.46 -0.24 -0.03 0.00 -0.00 0.00 0.00 27.48 27.67 1ilf h GLN 41 CO -0.00 0.71 -1.46 1.15 -0.00 0.00 0.00 178.83 179.23 1ilf h THR 42 N 1.11 1.19 -0.06 1.86 2.02 -1.00 -2.54 112.91 115.49 1ilf h THR 42 Ca 0.34 -2.92 -0.04 0.00 0.77 0.00 0.00 66.41 64.56 1ilf h THR 42 Cb -0.03 2.67 -0.01 0.00 -1.74 0.00 0.00 68.15 69.05 1ilf h THR 42 CO -0.11 0.76 -0.16 0.03 0.37 0.00 0.00 175.52 176.41 1ilf h ARG 43 N 0.03 0.09 0.04 6.66 -0.00 -0.13 0.91 114.38 121.98 1ilf h ARG 43 Ca -0.20 -0.02 -0.00 0.00 -0.50 0.00 0.00 59.98 59.26 1ilf h ARG 43 Cb 1.95 -0.01 0.00 0.00 0.00 0.00 0.00 29.97 31.91 1ilf h ARG 43 CO 0.13 0.26 -0.02 0.35 0.00 0.00 0.00 179.97 180.69 1ilf h PHE 44 N 0.09 -0.04 -0.02 3.04 3.57 0.13 -0.03 116.94 123.67 1ilf h PHE 44 Ca 0.02 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.52 1ilf h PHE 44 Cb 0.34 0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.10 1ilf h PHE 44 CO 0.00 0.51 0.02 1.96 -2.23 0.00 0.00 178.31 178.57 1ilf h GLN 45 N -0.96 0.00 0.00 1.11 4.20 -1.27 0.12 115.11 118.30 1ilf h GLN 45 Ca -0.00 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.48 1ilf h GLN 45 Cb 0.57 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.32 1ilf h GLN 45 CO 0.01 0.00 -1.14 -0.97 -0.67 0.00 0.00 178.83 176.05 1ilf h ASN 46 N 0.00 0.00 0.19 1.46 -1.24 0.82 -3.15 115.58 113.66 1ilf h ASN 46 Ca 0.01 0.00 -0.07 0.00 0.71 0.00 0.00 56.30 56.95 1ilf h ASN 46 Cb 0.05 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.09 1ilf h ASN 46 CO -0.00 0.98 -0.27 0.00 -1.29 0.00 0.00 177.43 176.84 1ilf h ALA 47 N 1.02 1.39 0.00 1.57 0.00 0.12 0.11 119.26 123.47 1ilf h ALA 47 Ca -0.07 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.54 1ilf h ALA 47 Cb 1.81 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.52 1ilf h ALA 47 CO 0.12 0.43 -0.01 0.00 0.00 0.00 0.00 179.25 179.78 1ilf h ARG 49 N 0.00 0.00 -0.33 0.00 0.11 -0.86 -2.83 114.38 110.48 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 0.20 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.28 1ilf h ARG 49 CO 0.00 0.40 0.00 -0.25 0.10 0.00 0.00 179.97 180.22 1ilf n ASP 50 N -3.55 3.19 -2.45 0.08 8.00 0.29 -4.07 116.55 118.04 1ilf n ASP 50 Ca -0.00 -1.92 -0.18 0.00 0.71 0.00 0.00 54.79 53.39 1ilf n ASP 50 Cb 0.52 -0.21 0.02 0.00 -0.02 0.00 0.00 41.12 41.44 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 1.24 -0.32 3.23 0.44 0.00 -0.63 -4.92 105.19 104.24 1ilf n GLY 51 Ca 0.16 -0.05 -0.11 0.00 0.00 0.00 0.00 46.02 46.03 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 -5.39 0.35 0.17 1.61 0.52 -0.86 0.53 118.95 115.87 1ilf s ARG 52 Ca 0.21 0.78 -0.06 0.00 -0.52 0.00 0.00 55.73 56.14 1ilf s ARG 52 Cb -0.09 -0.00 -0.02 0.00 0.52 0.00 0.00 34.95 35.35 1ilf s ARG 52 CO 0.26 -0.17 0.20 -1.54 0.02 0.00 0.00 175.30 174.07 1ilf s SER 53 N 1.54 0.13 -0.32 0.23 1.04 -0.55 -4.22 113.70 111.55 1ilf s SER 53 Ca -0.08 -1.06 0.01 0.00 0.48 0.00 0.00 55.95 55.30 1ilf s SER 53 Cb -0.09 0.40 0.10 0.00 0.10 0.00 0.00 66.02 66.52 1ilf s SER 53 CO -0.12 -0.85 0.06 -0.70 0.98 0.00 0.00 173.24 172.61 1ilf s GLU 54 N -4.03 1.12 0.04 4.02 2.12 -1.26 -1.71 118.70 118.99 1ilf s GLU 54 Ca 0.23 -1.41 0.04 0.00 0.36 0.00 0.00 54.97 54.20 1ilf s GLU 54 Cb 0.05 -2.56 -0.04 0.00 0.26 0.00 0.00 34.13 31.84 1ilf s GLU 54 CO 0.03 -0.93 -0.05 0.42 -0.54 0.00 0.00 175.26 174.19 1ilf s ILE 55 N 1.29 3.72 0.21 -3.70 -1.09 -0.16 -3.91 121.20 117.56 1ilf s ILE 55 Ca 0.09 -0.88 -0.01 0.00 -2.23 0.00 0.00 60.65 57.62 1ilf s ILE 55 Cb -0.18 -2.67 -0.04 0.00 -1.58 0.00 0.00 42.46 37.98 1ilf s ILE 55 CO -0.16 0.30 0.41 0.00 -1.23 0.00 0.00 174.94 174.26 1ilf s ALA 56 N -1.10 3.80 -0.20 9.38 0.00 0.18 -0.10 121.76 133.73 1ilf s ALA 56 Ca 0.20 -0.78 -0.04 0.00 0.00 0.00 0.00 51.96 51.33 1ilf s ALA 56 Cb -0.11 -2.04 -0.02 0.00 0.00 0.00 0.00 23.12 20.95 1ilf s ALA 56 CO 0.11 0.42 -0.04 0.12 0.00 0.00 0.00 175.76 176.37 1ilf s PHE 57 N -1.89 2.97 0.09 0.00 5.36 0.13 -1.38 117.98 123.28 1ilf s PHE 57 Ca 0.39 -0.67 0.12 0.00 -0.96 0.00 0.00 56.93 55.81 1ilf s PHE 57 Cb -0.11 -2.05 0.12 0.00 -0.34 0.00 0.00 43.02 40.64 1ilf s PHE 57 CO 0.29 -0.35 1.46 0.28 -1.46 0.00 0.00 175.22 175.44 1ilf h VAL 58 N 5.51 1.32 -0.80 3.12 2.07 -1.63 0.60 116.25 126.43 1ilf h VAL 58 Ca -0.37 -2.56 0.18 0.00 0.82 0.00 0.00 66.70 64.78 1ilf h VAL 58 Cb 1.18 2.45 -0.11 0.00 -1.52 0.00 0.00 31.29 33.28 1ilf h VAL 58 CO 0.60 0.69 0.27 0.00 0.02 0.00 0.00 177.57 179.15 1ilf h ALA 59 N 1.30 1.14 0.00 1.67 0.00 -1.95 -3.23 119.26 118.19 1ilf h ALA 59 Ca -0.01 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1ilf h ALA 59 Cb 1.39 0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.37 1ilf h ALA 59 CO 0.09 -0.32 -0.31 0.25 0.00 0.00 0.00 179.25 178.97 1ilf n THR 60 N -5.10 0.00 -2.58 0.00 -2.24 -1.24 -5.00 114.28 98.12 1ilf n THR 60 Ca 0.17 -0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.74 1ilf n THR 60 Cb 0.52 0.69 0.00 0.00 -2.10 0.00 0.00 70.33 69.45 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 -0.49 3.70 3.38 0.00 0.20 -4.96 105.19 107.01 1ilf n GLY 61 Ca 0.00 0.03 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 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 -3.08 5.22 0.49 2.61 -1.32 -0.80 -4.76 115.64 114.00 1ilf s THR 62 Ca 0.09 0.74 -0.18 0.00 -1.21 0.00 0.00 61.69 61.13 1ilf s THR 62 Cb -0.04 -3.73 -0.09 0.00 -1.51 0.00 0.00 72.50 67.13 1ilf s THR 62 CO 0.12 0.30 0.98 0.21 -2.21 0.00 0.00 174.62 174.01 1ilf s ASN 63 N 0.80 6.69 -0.09 8.08 2.47 -1.26 0.23 114.94 131.86 1ilf s ASN 63 Ca 0.20 1.62 -0.04 0.00 0.42 0.00 0.00 52.86 55.07 1ilf s ASN 63 Cb -0.14 -2.52 0.05 0.00 -1.45 0.00 0.00 41.25 37.18 1ilf s ASN 63 CO 0.08 -0.54 0.18 -0.76 -3.72 0.00 0.00 177.10 172.33 1ilf s LEU 64 N -3.81 0.20 -0.45 3.21 1.43 0.86 -4.89 118.68 115.24 1ilf s LEU 64 Ca 0.60 0.37 -0.10 0.00 -1.03 0.00 0.00 54.13 53.97 1ilf s LEU 64 Cb -0.10 0.40 0.09 0.00 0.03 0.00 0.00 46.19 46.61 1ilf s LEU 64 CO 0.26 -0.21 0.32 -0.44 0.23 0.00 0.00 176.35 176.51 1ilf s SER 65 N 1.85 5.76 0.13 2.29 0.01 -1.26 -0.99 113.70 121.48 1ilf s SER 65 Ca -0.02 -1.64 0.08 0.00 1.31 0.00 0.00 55.95 55.68 1ilf s SER 65 Cb -0.12 -2.03 -0.04 0.00 0.21 0.00 0.00 66.02 64.04 1ilf s SER 65 CO -0.06 -0.62 -0.12 -1.48 0.41 0.00 0.00 173.24 171.36 1ilf s LEU 66 N 1.44 2.92 -0.31 2.44 -0.00 -0.70 -5.01 118.68 119.47 1ilf s LEU 66 Ca 0.04 -0.49 0.03 0.00 -0.00 0.00 0.00 54.13 53.70 1ilf s LEU 66 Cb -0.25 -1.70 0.08 0.00 -0.00 0.00 0.00 46.19 44.33 1ilf s LEU 66 CO 0.02 0.16 -0.01 -1.10 -0.00 0.00 0.00 176.35 175.42 1ilf s GLN 67 N -2.36 1.90 -0.20 1.48 1.11 -1.26 -1.48 119.66 118.84 1ilf s GLN 67 Ca 0.21 -1.61 -0.09 0.00 0.01 0.00 0.00 55.36 53.88 1ilf s GLN 67 Cb -0.10 -3.10 -0.04 0.00 -1.01 0.00 0.00 33.01 28.75 1ilf s GLN 67 CO 0.13 -0.77 0.10 -0.59 0.01 0.00 0.00 175.29 174.17 1ilf s PHE 68 N 1.02 3.31 -0.26 0.91 -0.12 0.19 -4.17 117.98 118.86 1ilf s PHE 68 Ca 0.01 0.17 -0.23 0.00 -0.05 0.00 0.00 56.93 56.83 1ilf s PHE 68 Cb -0.20 -2.14 0.07 0.00 -0.63 0.00 0.00 43.02 40.13 1ilf s PHE 68 CO -0.06 0.17 0.69 -0.06 -0.05 0.00 0.00 175.22 175.92 1ilf s PHE 69 N 0.49 -0.79 -0.60 3.49 0.08 -1.26 -4.15 117.98 115.24 1ilf s PHE 69 Ca 0.05 1.89 -0.31 0.00 0.12 0.00 0.00 56.93 58.68 1ilf s PHE 69 Cb -0.12 0.30 -0.13 0.00 -0.57 0.00 0.00 43.02 42.49 1ilf s PHE 69 CO 0.00 -0.38 2.42 -2.30 -0.10 0.00 0.00 175.22 174.86 1ilf n PRO 70 N 2.87 0.70 -0.13 0.24 -0.02 -1.26 -4.72 135.00 132.67 1ilf n PRO 70 Ca -0.15 0.10 0.24 0.00 -2.02 0.00 0.00 63.50 61.67 1ilf n PRO 70 Cb 0.56 -2.45 0.36 0.00 -0.02 0.00 0.00 33.50 31.95 1ilf n PRO 70 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ilf n ALA 71 N 11.94 0.84 -1.69 3.55 0.00 -1.26 -1.81 120.51 132.07 1ilf n ALA 71 Ca 0.48 0.29 -0.34 0.00 0.00 0.00 0.00 53.44 53.86 1ilf n ALA 71 Cb 0.26 -0.50 -0.03 0.00 0.00 0.00 0.00 19.45 19.18 1ilf n ALA 71 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ilf n SER 72 N -3.11 7.53 -4.78 0.00 2.88 -1.26 -4.93 113.62 109.95 1ilf n SER 72 Ca 0.20 -3.03 -0.36 0.00 -1.33 0.00 0.00 58.87 54.35 1ilf n SER 72 Cb 1.45 -1.36 -0.07 0.00 -0.75 0.00 0.00 64.21 63.47 1ilf n SER 72 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1ilf s TRP 73 N -0.66 3.51 -0.23 0.66 1.48 -0.75 -4.98 118.94 117.97 1ilf s TRP 73 Ca 0.59 0.53 0.11 0.00 -1.06 0.00 0.00 56.10 56.26 1ilf s TRP 73 Cb 0.25 -2.16 0.44 0.00 -1.16 0.00 0.00 33.47 30.83 1ilf s TRP 73 CO -0.12 0.44 1.21 1.04 -4.06 0.00 0.00 176.95 175.46 1ilf n GLN 74 N 2.93 2.14 0.00 3.25 1.13 -1.26 -4.86 117.38 120.71 1ilf n GLN 74 Ca -0.16 -3.51 0.00 0.00 -1.94 0.00 0.00 57.00 51.39 1ilf n GLN 74 Cb 0.53 -1.74 0.00 0.00 0.11 0.00 0.00 30.24 29.14 1ilf n GLN 74 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1ilf n GLY 75 N -0.89 1.25 2.52 1.08 0.00 -1.26 -5.03 105.19 102.86 1ilf n GLY 75 Ca 0.26 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.97 1ilf n GLY 75 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ilf n GLU 76 N -0.13 2.47 0.01 1.61 -0.58 -1.26 -4.48 120.64 118.28 1ilf n GLU 76 Ca 0.00 -2.75 -0.20 0.00 -0.42 0.00 0.00 57.16 53.79 1ilf n GLU 76 Cb 0.00 -2.13 -0.14 0.00 -0.57 0.00 0.00 31.44 28.60 1ilf n GLU 76 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 1ilf h GLN 77 N 2.65 0.23 -0.91 3.49 4.20 -1.98 -3.34 115.11 119.45 1ilf h GLN 77 Ca 0.47 -0.39 0.02 0.00 0.06 0.00 0.00 58.65 58.81 1ilf h GLN 77 Cb 0.53 0.15 -0.05 0.00 0.30 0.00 0.00 27.48 28.41 1ilf h GLN 77 CO 1.15 1.19 0.59 0.00 -0.67 0.00 0.00 178.83 181.09 1ilf h ARG 78 N -0.47 1.15 -7.21 1.46 2.47 -2.03 -3.43 114.38 106.32 1ilf h ARG 78 Ca -0.18 -0.07 -0.50 0.00 -1.26 0.00 0.00 59.98 57.98 1ilf h ARG 78 Cb 1.57 -0.26 0.05 0.00 -1.65 0.00 0.00 29.97 29.69 1ilf h ARG 78 CO 0.09 0.76 0.28 -0.65 0.56 0.00 0.00 179.97 181.01 1ilf s GLN 79 N -6.11 3.35 0.33 0.04 -0.21 -1.25 -5.06 119.66 110.75 1ilf s GLN 79 Ca -0.13 0.41 -0.22 0.00 0.02 0.00 0.00 55.36 55.45 1ilf s GLN 79 Cb 0.17 -2.19 -0.10 0.00 1.00 0.00 0.00 33.01 31.89 1ilf s GLN 79 CO 0.80 -0.56 0.87 0.99 -2.12 0.00 0.00 175.29 175.28 1ilf s THR 80 N -3.05 4.40 1.04 -0.19 2.01 -1.26 -4.96 115.64 113.64 1ilf s THR 80 Ca 0.53 1.49 -0.18 0.00 0.31 0.00 0.00 61.69 63.84 1ilf s THR 80 Cb -0.11 -3.80 0.07 0.00 0.01 0.00 0.00 72.50 68.67 1ilf s THR 80 CO 0.49 -0.03 -0.17 -0.81 -0.69 0.00 0.00 174.62 173.42 1ilf n PRO 81 N 0.11 -1.52 -4.11 4.92 -0.04 -1.26 -5.04 135.00 128.07 1ilf n PRO 81 Ca 0.03 -0.44 -0.24 0.00 -0.04 0.00 0.00 63.50 62.81 1ilf n PRO 81 Cb 0.52 -1.47 -0.07 0.00 -0.04 0.00 0.00 33.50 32.43 1ilf n PRO 81 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1ilf s SER 82 N -1.71 4.46 -0.03 3.54 0.15 -1.26 -5.01 113.70 113.84 1ilf s SER 82 Ca 0.44 -1.04 0.04 0.00 0.70 0.00 0.00 55.95 56.10 1ilf s SER 82 Cb -0.05 -0.51 0.18 0.00 -1.71 0.00 0.00 66.02 63.94 1ilf s SER 82 CO 0.53 -0.52 0.94 0.54 1.20 0.00 0.00 173.24 175.93 1ilf n ARG 83 N -1.23 1.74 0.04 5.44 5.12 -1.19 -2.37 116.66 124.21 1ilf n ARG 83 Ca -0.01 -0.72 -0.19 0.00 -1.93 0.00 0.00 57.85 55.00 1ilf n ARG 83 Cb 0.64 -1.47 -0.10 0.00 -1.16 0.00 0.00 32.46 30.38 1ilf n ARG 83 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 1ilf h GLU 84 N 1.00 0.67 0.00 5.56 5.08 -1.99 -3.40 114.58 121.51 1ilf h GLU 84 Ca 0.00 -0.72 -0.07 0.00 -1.00 0.00 0.00 59.36 57.57 1ilf h GLU 84 Cb 0.61 0.20 -0.01 0.00 0.50 0.00 0.00 28.75 30.05 1ilf h GLU 84 CO 0.07 1.30 -1.24 0.66 -1.00 0.00 0.00 179.01 178.80 1ilf n TYR 85 N -3.84 0.00 -3.92 4.33 4.02 -1.24 -4.92 117.16 111.59 1ilf n TYR 85 Ca -0.10 0.00 -0.35 0.00 -0.01 0.00 0.00 57.90 57.44 1ilf n TYR 85 Cb 0.87 -0.16 -0.14 0.00 -0.02 0.00 0.00 39.34 39.90 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 -2.08 2.89 0.05 -0.72 -7.23 -1.00 0.61 120.40 112.93 1ilf s VAL 86 Ca -0.06 -1.55 -0.02 0.00 -1.81 0.00 0.00 61.98 58.54 1ilf s VAL 86 Cb 0.02 -2.74 -0.04 0.00 0.56 0.00 0.00 36.38 34.18 1ilf s VAL 86 CO 0.08 -0.20 0.23 -0.62 -0.31 0.00 0.00 175.10 174.28 1ilf s ASP 87 N 1.29 6.39 -0.10 4.85 -1.08 -0.99 -3.14 116.67 123.88 1ilf s ASP 87 Ca -0.03 0.35 0.20 0.00 -0.52 0.00 0.00 52.55 52.55 1ilf s ASP 87 Cb -0.20 -2.00 0.43 0.00 -1.46 0.00 0.00 42.92 39.70 1ilf s ASP 87 CO -0.02 0.18 1.18 0.18 0.52 0.00 0.00 175.17 177.21 1ilf n LEU 88 N 0.48 1.77 -4.70 -1.34 4.32 -1.26 -4.08 117.00 112.18 1ilf n LEU 88 Ca -0.06 -2.82 -0.36 0.00 -0.02 0.00 0.00 56.01 52.75 1ilf n LEU 88 Cb 0.52 -0.14 -0.08 0.00 -1.62 0.00 0.00 43.42 42.09 1ilf n LEU 88 CO 0.49 0.91 -0.15 -0.70 -1.22 0.00 0.00 177.39 176.72 1ilf s GLU 89 N -1.50 4.15 -0.52 3.23 2.12 -1.26 -4.97 118.70 119.94 1ilf s GLU 89 Ca 0.35 -0.19 -0.15 0.00 0.36 0.00 0.00 54.97 55.35 1ilf s GLU 89 Cb 0.38 -3.47 -0.14 0.00 0.26 0.00 0.00 34.13 31.16 1ilf s GLU 89 CO -0.12 0.18 1.73 2.89 -0.54 0.00 0.00 175.26 179.41 1ilf n ARG 90 N 3.88 1.09 -0.38 4.30 0.00 -1.26 -4.53 116.66 119.76 1ilf n ARG 90 Ca -0.15 -1.30 0.04 0.00 -0.00 0.00 0.00 57.85 56.44 1ilf n ARG 90 Cb 0.52 -2.52 0.19 0.00 -0.00 0.00 0.00 32.46 30.65 1ilf n ARG 90 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1ilf n GLU 91 N 5.97 2.64 0.00 2.89 1.02 -1.26 -4.52 120.64 127.38 1ilf n GLU 91 Ca 0.38 -1.49 0.00 0.00 -0.02 0.00 0.00 57.16 56.03 1ilf n GLU 91 Cb 0.25 -1.72 0.00 0.00 -0.02 0.00 0.00 31.44 29.94 1ilf n GLU 91 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ilf n ALA 92 N 0.38 0.00 0.00 0.62 0.00 -1.26 -5.00 120.51 115.25 1ilf n ALA 92 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1ilf n ALA 92 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 1ilf n ALA 92 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ilf n GLY 93 N 0.00 0.78 3.63 0.00 0.00 -1.26 -5.13 105.19 103.20 1ilf n GLY 93 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 0.00 2.03 -0.16 1.61 -0.14 -1.26 -4.31 119.74 117.51 1ilf s LYS 94 Ca 0.00 -2.26 0.01 0.00 -1.36 0.00 0.00 55.97 52.37 1ilf s LYS 94 Cb 0.00 -1.10 0.02 0.00 -1.68 0.00 0.00 37.83 35.06 1ilf s LYS 94 CO 0.00 -0.38 -0.18 0.54 -0.76 0.00 0.00 175.35 174.57 1ilf s VAL 95 N -3.03 1.88 -0.04 3.17 0.11 -0.92 -4.64 120.40 116.93 1ilf s VAL 95 Ca 0.17 -0.84 0.01 0.00 -2.93 0.00 0.00 61.98 58.40 1ilf s VAL 95 Cb 0.03 -1.70 -0.03 0.00 -1.53 0.00 0.00 36.38 33.15 1ilf s VAL 95 CO 0.10 0.51 -0.06 -0.72 -3.33 0.00 0.00 175.10 171.60 1ilf s TYR 96 N 1.21 2.94 0.04 1.54 -0.85 -1.26 -1.52 117.35 119.45 1ilf s TYR 96 Ca 0.01 0.01 -0.01 0.00 -0.52 0.00 0.00 57.07 56.56 1ilf s TYR 96 Cb -0.14 -1.68 -0.03 0.00 0.38 0.00 0.00 41.96 40.49 1ilf s TYR 96 CO -0.09 0.35 -0.02 -0.48 -1.52 0.00 0.00 175.55 173.80 1ilf s LEU 97 N -1.02 2.36 -0.11 -3.49 -0.00 -0.88 -2.35 118.68 113.19 1ilf s LEU 97 Ca 0.14 -0.81 0.01 0.00 -0.00 0.00 0.00 54.13 53.47 1ilf s LEU 97 Cb -0.11 0.20 0.02 0.00 -0.00 0.00 0.00 46.19 46.30 1ilf s LEU 97 CO 0.04 -0.50 -0.15 -0.75 -0.00 0.00 0.00 176.35 174.99 1ilf s LYS 98 N -3.07 2.18 -0.05 1.48 2.20 0.20 -1.72 119.74 120.96 1ilf s LYS 98 Ca -0.01 -0.54 0.05 0.00 -0.36 0.00 0.00 55.97 55.11 1ilf s LYS 98 Cb 0.02 -1.88 -0.00 0.00 -1.51 0.00 0.00 37.83 34.45 1ilf s LYS 98 CO -0.07 -0.09 -0.20 0.00 -0.36 0.00 0.00 175.35 174.64 1ilf s ALA 99 N 1.06 1.76 -0.26 3.13 0.00 0.55 -4.34 121.76 123.65 1ilf s ALA 99 Ca -0.05 -0.81 -0.18 0.00 0.00 0.00 0.00 51.96 50.92 1ilf s ALA 99 Cb -0.15 -0.58 -0.02 0.00 0.00 0.00 0.00 23.12 22.37 1ilf s ALA 99 CO -0.03 0.31 0.54 -1.25 0.00 0.00 0.00 175.76 175.34 1ilf s PRO 100 N 0.03 4.07 0.27 0.00 0.04 -1.26 -1.20 135.00 136.96 1ilf s PRO 100 Ca -0.05 0.37 0.02 0.00 0.04 0.00 0.00 61.00 61.37 1ilf s PRO 100 Cb -0.13 -3.65 -0.04 0.00 0.04 0.00 0.00 34.50 30.71 1ilf s PRO 100 CO 0.03 -0.37 0.13 0.00 0.04 0.00 0.00 177.00 176.83 1ilf s MET 101 N 2.36 1.47 -0.43 4.56 0.23 -0.59 -4.83 119.30 122.07 1ilf s MET 101 Ca 0.22 -1.81 -0.12 0.00 -1.03 0.00 0.00 55.69 52.95 1ilf s MET 101 Cb -0.16 -0.11 0.06 0.00 -1.53 0.00 0.00 34.83 33.10 1ilf s MET 101 CO 0.09 -0.38 0.30 0.42 -2.03 0.00 0.00 175.02 173.42 1ilf s ILE 102 N -3.74 4.69 0.07 3.16 -1.09 -1.26 -1.06 121.20 121.97 1ilf s ILE 102 Ca 0.37 -1.15 -0.00 0.00 -2.23 0.00 0.00 60.65 57.64 1ilf s ILE 102 Cb 0.06 -3.79 -0.04 0.00 -1.58 0.00 0.00 42.46 37.11 1ilf s ILE 102 CO 0.15 -0.48 0.22 -0.76 -1.23 0.00 0.00 174.94 172.85 1ilf s LEU 103 N 1.54 4.35 0.00 2.97 1.43 -0.13 -4.80 118.68 124.04 1ilf s LEU 103 Ca 0.03 0.28 0.00 0.00 -1.03 0.00 0.00 54.13 53.41 1ilf s LEU 103 Cb -0.23 -2.98 0.00 0.00 0.03 0.00 0.00 46.19 43.02 1ilf s LEU 103 CO 0.05 0.15 0.00 0.59 0.23 0.00 0.00 176.35 177.37 1ilf n ASN 104 N 0.21 0.00 -4.18 2.29 4.13 -1.26 0.13 115.26 116.59 1ilf n ASN 104 Ca -0.05 0.00 -0.33 0.00 1.68 0.00 0.00 54.58 55.88 1ilf n ASN 104 Cb 0.51 0.00 -0.06 0.00 -1.54 0.00 0.00 39.78 38.70 1ilf n ASN 104 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1ilf n GLY 105 N 0.02 -0.32 3.59 7.41 0.00 -1.26 -4.92 105.19 109.71 1ilf n GLY 105 Ca 0.00 0.22 -0.13 0.00 0.00 0.00 0.00 46.02 46.11 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 -4.10 0.00 -0.30 1.61 1.01 0.35 -2.19 120.40 116.78 1ilf s VAL 106 Ca 0.12 0.00 -0.27 0.00 0.00 0.00 0.00 61.98 61.82 1ilf s VAL 106 Cb -0.06 -1.00 0.01 0.00 0.00 0.00 0.00 36.38 35.33 1ilf s VAL 106 CO 0.97 0.00 0.99 0.00 0.00 0.00 0.00 175.10 177.06 1ilf s VAL 108 N 3.39 1.54 -0.19 0.00 -7.23 -0.23 -1.54 120.40 116.14 1ilf s VAL 108 Ca 0.41 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.54 1ilf s VAL 108 Cb -0.13 -2.79 0.09 0.00 0.56 0.00 0.00 36.38 34.10 1ilf s VAL 108 CO 0.13 0.00 0.21 -0.63 -0.31 0.00 0.00 175.10 174.50 1ilf s ILE 109 N -2.96 -0.30 -0.16 -0.62 1.01 0.23 -1.54 121.20 116.85 1ilf s ILE 109 Ca 0.31 -0.09 -0.11 0.00 0.00 0.00 0.00 60.65 60.77 1ilf s ILE 109 Cb 0.08 -0.65 -0.05 0.00 0.01 0.00 0.00 42.46 41.86 1ilf s ILE 109 CO 0.15 -0.19 0.19 0.86 0.00 0.00 0.00 174.94 175.95 1ilf s TRP 110 N 2.31 3.48 -0.09 3.97 -0.00 -0.34 -0.66 118.94 127.62 1ilf s TRP 110 Ca 0.06 0.48 -0.14 0.00 -0.00 0.00 0.00 56.10 56.50 1ilf s TRP 110 Cb -0.16 -2.16 0.03 0.00 -0.00 0.00 0.00 33.47 31.18 1ilf s TRP 110 CO -0.11 0.40 0.36 -1.59 -0.00 0.00 0.00 176.95 176.01 1ilf s LYS 111 N -0.01 0.55 -0.09 5.86 0.00 -0.71 -0.33 119.74 125.00 1ilf s LYS 111 Ca 0.13 0.24 -0.33 0.00 0.00 0.00 0.00 55.97 56.01 1ilf s LYS 111 Cb -0.12 0.26 0.13 0.00 0.00 0.00 0.00 37.83 38.10 1ilf s LYS 111 CO 0.02 -0.11 1.28 0.20 0.00 0.00 0.00 175.35 176.74 1ilf s GLY 112 N -0.43 -0.37 0.08 0.59 0.00 -0.70 -0.95 107.32 105.54 1ilf s GLY 112 Ca -0.06 1.08 0.05 0.00 0.00 0.00 0.00 44.72 45.79 1ilf s GLY 112 CO 0.02 0.29 -0.04 0.66 0.00 0.00 0.00 173.10 174.03 1ilf s TRP 113 N -2.37 2.90 0.07 1.90 1.48 -0.37 -2.06 118.94 120.49 1ilf s TRP 113 Ca 0.13 -0.06 0.10 0.00 -1.06 0.00 0.00 56.10 55.20 1ilf s TRP 113 Cb 0.03 -1.52 -0.03 0.00 -1.16 0.00 0.00 33.47 30.79 1ilf s TRP 113 CO -0.04 0.45 -0.26 0.42 -4.06 0.00 0.00 176.95 173.46 1ilf s ILE 114 N -1.24 2.23 -0.00 0.66 -1.09 -0.57 -1.73 121.20 119.45 1ilf s ILE 114 Ca 0.23 -1.47 -0.24 0.00 -2.23 0.00 0.00 60.65 56.94 1ilf s ILE 114 Cb -0.11 -1.91 -0.05 0.00 -1.58 0.00 0.00 42.46 38.81 1ilf s ILE 114 CO 0.15 0.29 0.74 1.51 -1.23 0.00 0.00 174.94 176.40 1ilf s ASP 115 N -1.47 7.12 0.00 3.58 1.47 -0.61 -2.16 116.67 124.60 1ilf s ASP 115 Ca 0.13 1.34 0.00 0.00 1.18 0.00 0.00 52.55 55.19 1ilf s ASP 115 Cb -0.10 -2.44 0.00 0.00 -0.34 0.00 0.00 42.92 40.04 1ilf s ASP 115 CO 0.03 -0.04 0.61 0.18 0.68 0.00 0.00 175.17 176.63 1ilf n LEU 116 N 3.21 0.27 0.00 2.11 4.77 -1.26 -0.88 117.00 125.22 1ilf n LEU 116 Ca -0.02 -0.13 -0.01 0.00 -0.03 0.00 0.00 56.01 55.82 1ilf n LEU 116 Cb 0.51 -0.13 -0.00 0.00 -2.33 0.00 0.00 43.42 41.46 1ilf n LEU 116 CO 0.47 0.07 -0.09 1.57 -1.33 0.00 0.00 177.39 178.08 1ilf n HIS 117 N -0.27 0.00 0.19 -1.77 -0.00 -1.26 -4.81 115.22 107.30 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 0.07 -0.07 0.04 0.00 -0.12 0.00 0.00 29.99 29.91 1ilf n HIS 117 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1ilf h ARG 118 N -0.13 0.00 -0.07 1.57 3.08 -2.00 -3.48 114.38 113.34 1ilf h ARG 118 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 1ilf h ARG 118 Cb 0.13 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 1ilf h ARG 118 CO 0.00 0.00 -0.02 1.28 -1.07 0.00 0.00 179.97 180.16 1ilf n LEU 119 N -2.61 -0.33 -4.41 3.04 4.77 -0.06 -4.86 117.00 112.54 1ilf n LEU 119 Ca 0.01 0.02 -0.30 0.00 -0.03 0.00 0.00 56.01 55.70 1ilf n LEU 119 Cb 0.53 -0.62 -0.13 0.00 -2.33 0.00 0.00 43.42 40.87 1ilf n LEU 119 CO 0.39 -0.04 -0.52 -0.62 -1.33 0.00 0.00 177.39 175.27 1ilf s ASP 120 N -2.98 3.56 0.00 -1.43 -1.08 -1.25 -1.49 116.67 111.99 1ilf s ASP 120 Ca 0.00 -0.49 0.00 0.00 -0.52 0.00 0.00 52.55 51.54 1ilf s ASP 120 Cb 0.00 -0.48 0.00 0.00 -1.46 0.00 0.00 42.92 40.98 1ilf s ASP 120 CO 0.00 0.25 0.00 0.61 0.52 0.00 0.00 175.17 176.55 1ilf n GLY 121 N 1.61 3.75 2.93 2.66 0.00 -0.32 -1.58 105.19 114.24 1ilf n GLY 121 Ca -0.16 -0.16 -0.16 0.00 0.00 0.00 0.00 46.02 45.54 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 4.98 0.40 0.45 1.61 1.00 -0.71 -0.60 119.30 126.43 1ilf s MET 122 Ca 0.00 -0.13 0.03 0.00 0.00 0.00 0.00 55.69 55.59 1ilf s MET 122 Cb 0.00 -0.41 -0.02 0.00 0.00 0.00 0.00 34.83 34.40 1ilf s MET 122 CO 0.00 0.06 0.07 0.20 0.00 0.00 0.00 175.02 175.35 1ilf s GLY 123 N 0.10 2.75 -0.27 -0.03 0.00 0.62 -1.24 107.32 109.27 1ilf s GLY 123 Ca -0.01 -0.97 -0.26 0.00 0.00 0.00 0.00 44.72 43.49 1ilf s GLY 123 CO -0.00 -1.99 1.07 0.00 0.00 0.00 0.00 173.10 172.18 1ilf s LEU 125 N 0.02 4.26 0.08 0.00 1.43 -0.87 -1.73 118.68 121.86 1ilf s LEU 125 Ca 0.03 0.24 -0.13 0.00 -1.03 0.00 0.00 54.13 53.24 1ilf s LEU 125 Cb -0.04 -3.02 0.02 0.00 0.03 0.00 0.00 46.19 43.17 1ilf s LEU 125 CO -0.06 -0.07 0.30 -0.70 0.23 0.00 0.00 176.35 176.06 1ilf s GLU 126 N -3.67 0.89 0.03 1.70 2.56 0.17 -4.19 118.70 116.18 1ilf s GLU 126 Ca 0.36 -0.67 0.03 0.00 0.00 0.00 0.00 54.97 54.69 1ilf s GLU 126 Cb -0.10 0.38 -0.04 0.00 2.00 0.00 0.00 34.13 36.37 1ilf s GLU 126 CO 0.30 -0.30 -0.01 0.12 -0.56 0.00 0.00 175.26 174.80 1ilf s PHE 127 N -3.23 3.01 -0.44 5.30 2.19 -1.26 0.74 117.98 124.29 1ilf s PHE 127 Ca -0.00 0.03 -0.22 0.00 0.33 0.00 0.00 56.93 57.06 1ilf s PHE 127 Cb 0.01 -1.62 0.02 0.00 -1.31 0.00 0.00 43.02 40.13 1ilf s PHE 127 CO -0.08 0.45 0.73 0.34 1.83 0.00 0.00 175.22 178.49 1ilf s ASP 128 N -1.76 6.38 -0.01 6.13 -1.08 -0.59 -4.87 116.67 120.87 1ilf s ASP 128 Ca 0.21 -0.19 0.14 0.00 -0.52 0.00 0.00 52.55 52.19 1ilf s ASP 128 Cb -0.11 -2.36 -0.20 0.00 -1.46 0.00 0.00 42.92 38.79 1ilf s ASP 128 CO 0.12 -0.85 0.71 -0.62 0.52 0.00 0.00 175.17 175.05 1ilf n GLU 129 N 6.52 0.63 0.06 4.34 1.02 -1.26 -2.62 120.64 129.33 1ilf n GLU 129 Ca 0.01 0.27 -0.12 0.00 -0.02 0.00 0.00 57.16 57.30 1ilf n GLU 129 Cb 0.48 -1.80 -0.08 0.00 -0.02 0.00 0.00 31.44 30.02 1ilf n GLU 129 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1ilf h GLU 130 N 0.00 -0.20 -0.02 3.49 4.39 -2.01 -3.29 114.58 116.94 1ilf h GLU 130 Ca -0.25 0.01 -0.19 0.00 0.34 0.00 0.00 59.36 59.28 1ilf h GLU 130 Cb 1.87 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 30.56 1ilf h GLU 130 CO 0.07 0.21 -0.81 -0.09 -1.16 0.00 0.00 179.01 177.23 1ilf h ARG 131 N -0.72 0.25 -0.85 2.33 2.43 -1.99 -3.30 114.38 112.52 1ilf h ARG 131 Ca -0.02 -0.24 0.20 0.00 -0.81 0.00 0.00 59.98 59.11 1ilf h ARG 131 Cb 0.51 0.06 -0.15 0.00 -0.42 0.00 0.00 29.97 29.97 1ilf h ARG 131 CO 0.04 0.93 -0.02 0.00 -1.51 0.00 0.00 179.97 179.41 1ilf h ALA 132 N 0.99 0.88 -0.14 2.80 0.00 -1.58 0.54 119.26 122.74 1ilf h ALA 132 Ca -0.04 0.29 -0.10 0.00 0.00 0.00 0.00 54.91 55.06 1ilf h ALA 132 Cb 1.41 0.51 -0.01 0.00 0.00 0.00 0.00 17.79 19.70 1ilf h ALA 132 CO 0.13 -0.46 -0.37 -0.56 0.00 0.00 0.00 179.25 177.99 1ilf h GLN 133 N 0.06 0.30 -0.22 0.00 3.07 -1.63 -2.92 115.11 113.76 1ilf h GLN 133 Ca 0.47 -0.13 -0.12 0.00 0.09 0.00 0.00 58.65 58.96 1ilf h GLN 133 Cb 0.87 -0.01 -0.01 0.00 0.08 0.00 0.00 27.48 28.41 1ilf h GLN 133 CO -0.79 0.63 -0.37 1.96 0.09 0.00 0.00 178.83 180.36 1ilf h GLN 134 N 0.26 0.50 -0.98 0.06 4.20 -0.15 -2.57 115.11 116.42 1ilf h GLN 134 Ca 0.03 -0.23 0.18 0.00 0.06 0.00 0.00 58.65 58.68 1ilf h GLN 134 Cb 0.77 -0.01 -0.09 0.00 0.30 0.00 0.00 27.48 28.45 1ilf h GLN 134 CO 0.06 0.79 0.61 0.93 -0.67 0.00 0.00 178.83 180.56 1ilf h GLU 135 N 0.42 0.71 -0.39 1.46 5.08 -0.74 0.73 114.58 121.84 1ilf h GLU 135 Ca 0.04 -0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 58.23 1ilf h GLU 135 Cb 0.84 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 1ilf h GLU 135 CO 0.07 0.47 -0.30 -0.44 -1.00 0.00 0.00 179.01 177.81 1ilf h ASP 136 N 0.73 0.88 -0.06 1.42 3.32 -1.53 0.44 116.42 121.62 1ilf h ASP 136 Ca 0.53 -0.36 -0.01 0.00 0.02 0.00 0.00 57.03 57.22 1ilf h ASP 136 Cb 0.87 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 40.18 1ilf h ASP 136 CO -0.30 1.11 -0.01 0.00 -1.72 0.00 0.00 179.24 178.31 1ilf h ALA 137 N 0.95 0.08 -0.27 3.45 0.00 0.33 0.12 119.26 123.92 1ilf h ALA 137 Ca 0.08 -0.19 -0.17 0.00 0.00 0.00 0.00 54.91 54.62 1ilf h ALA 137 Cb 0.85 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 1ilf h ALA 137 CO 0.07 -0.22 -0.52 -0.07 0.00 0.00 0.00 179.25 178.51 1ilf h LEU 138 N -0.21 0.87 -1.21 0.00 3.38 0.17 -2.80 115.31 115.52 1ilf h LEU 138 Ca 0.02 -0.45 -0.01 0.00 0.09 0.00 0.00 57.88 57.53 1ilf h LEU 138 Cb 0.38 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 1ilf h LEU 138 CO 0.00 1.23 -0.03 0.00 0.09 0.00 0.00 178.44 179.74 1ilf h ALA 139 N 0.79 1.00 -3.23 1.53 0.00 -0.11 -3.39 119.26 115.85 1ilf h ALA 139 Ca 0.02 -0.02 -0.57 0.00 0.00 0.00 0.00 54.91 54.34 1ilf h ALA 139 Cb 1.11 -0.00 -0.40 0.00 0.00 0.00 0.00 17.79 18.50 1ilf h ALA 139 CO 0.11 0.03 -0.76 -0.65 0.00 0.00 0.00 179.25 177.98 1ilf s GLN 140 N -3.60 0.79 0.00 0.00 -1.52 0.41 -5.03 119.66 110.72 1ilf s GLN 140 Ca 0.02 -0.93 0.00 0.00 -1.95 0.00 0.00 55.36 52.50 1ilf s GLN 140 Cb 0.08 -2.09 0.00 0.00 -0.22 0.00 0.00 33.01 30.79 1ilf s GLN 140 CO 0.57 -0.88 0.24 1.04 -0.25 0.00 0.00 175.29 176.02