#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 -0.69 -1.06 0.03 -0.02 -1.26 -4.86 135.00 127.14 1ilf n PRO 2 Ca 0.00 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.35 1ilf n PRO 2 Cb 0.00 0.00 0.24 0.00 -0.02 0.00 0.00 33.50 33.72 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 -1.34 3.05 -2.41 -0.52 0.00 -1.26 -4.97 116.66 109.20 1ilf n ARG 3 Ca 0.00 -2.89 -0.41 0.00 -0.00 0.00 0.00 57.85 54.55 1ilf n ARG 3 Cb 0.00 -2.15 -0.04 0.00 -0.00 0.00 0.00 32.46 30.27 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 -2.96 3.50 0.25 8.89 -7.23 -1.26 -4.09 120.40 117.50 1ilf s VAL 4 Ca 0.53 1.38 -0.10 0.00 -1.81 0.00 0.00 61.98 61.99 1ilf s VAL 4 Cb 0.43 -3.88 -0.07 0.00 0.56 0.00 0.00 36.38 33.42 1ilf s VAL 4 CO 0.12 0.28 0.57 0.68 -0.31 0.00 0.00 175.10 176.44 1ilf s VAL 5 N -0.64 4.91 0.30 1.32 -7.23 -1.12 -4.95 120.40 112.98 1ilf s VAL 5 Ca 0.48 0.47 0.18 0.00 -1.81 0.00 0.00 61.98 61.31 1ilf s VAL 5 Cb -0.33 -3.63 0.30 0.00 0.56 0.00 0.00 36.38 33.28 1ilf s VAL 5 CO 0.40 -0.13 1.20 -2.65 -0.31 0.00 0.00 175.10 173.61 1ilf n PRO 6 N -0.29 -0.04 -3.52 4.82 -0.02 -1.26 -2.78 135.00 131.91 1ilf n PRO 6 Ca 0.01 1.02 -0.29 0.00 -2.02 0.00 0.00 63.50 62.22 1ilf n PRO 6 Cb 0.53 -1.88 -0.13 0.00 -0.02 0.00 0.00 33.50 32.00 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 -4.56 3.22 0.19 2.55 1.01 -1.26 -4.99 116.67 112.83 1ilf s ASP 7 Ca -0.06 -2.01 -0.12 0.00 0.71 0.00 0.00 52.55 51.07 1ilf s ASP 7 Cb 0.25 -0.48 0.11 0.00 1.01 0.00 0.00 42.92 43.81 1ilf s ASP 7 CO 0.60 -0.34 1.84 1.56 0.21 0.00 0.00 175.17 179.04 1ilf h GLN 8 N 7.35 0.86 0.00 8.23 7.50 -1.81 -0.02 115.11 137.22 1ilf h GLN 8 Ca -0.01 -0.07 -0.03 0.00 0.50 0.00 0.00 58.65 59.03 1ilf h GLN 8 Cb 0.98 -0.19 -0.00 0.00 0.05 0.00 0.00 27.48 28.32 1ilf h GLN 8 CO 0.33 0.60 -0.16 0.07 -1.50 0.00 0.00 178.83 178.18 1ilf h ARG 9 N 0.87 0.00 -0.35 1.46 0.11 -1.94 -1.33 114.38 113.20 1ilf h ARG 9 Ca 0.23 0.00 -0.06 0.00 0.10 0.00 0.00 59.98 60.26 1ilf h ARG 9 Cb -0.05 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.01 1ilf h ARG 9 CO -0.05 0.16 -0.02 0.77 0.10 0.00 0.00 179.97 180.93 1ilf h SER 10 N 0.00 0.52 0.12 0.08 0.02 -1.40 0.50 113.55 113.39 1ilf h SER 10 Ca -0.00 -0.11 -0.26 0.00 -0.84 0.00 0.00 61.79 60.59 1ilf h SER 10 Cb 0.47 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.87 1ilf h SER 10 CO 0.02 0.60 -1.27 0.11 -1.14 0.00 0.00 176.83 175.15 1ilf h LYS 11 N 0.52 0.26 0.00 3.45 1.79 -1.15 0.13 116.57 121.57 1ilf h LYS 11 Ca 0.11 -0.45 -0.00 0.00 -2.18 0.00 0.00 60.65 58.13 1ilf h LYS 11 Cb 0.37 0.17 -0.00 0.00 -1.58 0.00 0.00 32.23 31.19 1ilf h LYS 11 CO 0.01 1.21 -0.02 0.35 -1.08 0.00 0.00 179.45 179.93 1ilf h PHE 12 N -0.31 0.00 0.00 -1.35 3.04 -1.18 0.50 116.94 117.63 1ilf h PHE 12 Ca -0.27 0.00 -0.34 0.00 3.98 0.00 0.00 57.97 61.34 1ilf h PHE 12 Cb 1.74 0.00 -0.06 0.00 2.56 0.00 0.00 35.95 40.19 1ilf h PHE 12 CO 0.14 0.02 -2.36 -0.85 -2.02 0.00 0.00 178.31 173.24 1ilf n GLU 13 N -3.15 0.69 -0.10 1.11 -0.00 0.17 -4.18 120.64 115.18 1ilf n GLU 13 Ca -0.01 -0.02 -0.12 0.00 -0.00 0.00 0.00 57.16 57.01 1ilf n GLU 13 Cb 0.23 -1.52 -0.15 0.00 -0.00 0.00 0.00 31.44 29.99 1ilf n GLU 13 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 1ilf n ASN 14 N -2.71 0.46 -4.75 -1.84 5.15 0.44 -4.90 115.26 107.10 1ilf n ASN 14 Ca -0.31 -0.02 -0.41 0.00 -0.60 0.00 0.00 54.58 53.24 1ilf n ASN 14 Cb 1.11 0.66 -0.02 0.00 -0.53 0.00 0.00 39.78 41.01 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 -2.50 4.23 0.01 1.20 0.41 0.17 -4.90 118.70 117.33 1ilf s GLU 15 Ca -0.15 2.38 -0.26 0.00 -0.41 0.00 0.00 54.97 56.53 1ilf s GLU 15 Cb 0.07 -3.07 -0.16 0.00 -1.78 0.00 0.00 34.13 29.19 1ilf s GLU 15 CO 0.78 -0.45 1.21 1.05 -0.49 0.00 0.00 175.26 177.36 1ilf h GLU 16 N 4.60 -0.61 -0.68 1.61 4.11 -1.93 0.52 114.58 122.20 1ilf h GLU 16 Ca -0.47 0.04 -0.07 0.00 0.07 0.00 0.00 59.36 58.93 1ilf h GLU 16 Cb 1.22 0.14 -0.03 0.00 0.50 0.00 0.00 28.75 30.58 1ilf h GLU 16 CO 0.75 -0.30 0.14 0.35 0.07 0.00 0.00 179.01 180.02 1ilf h PHE 17 N -0.94 1.16 0.00 2.06 3.04 -1.96 0.61 116.94 120.92 1ilf h PHE 17 Ca -0.06 -0.15 -0.03 0.00 3.98 0.00 0.00 57.97 61.71 1ilf h PHE 17 Cb 0.59 -0.32 -0.00 0.00 2.56 0.00 0.00 35.95 38.77 1ilf h PHE 17 CO 0.01 0.96 -0.13 0.35 -2.02 0.00 0.00 178.31 177.47 1ilf h PHE 18 N 1.04 0.00 0.00 0.41 3.04 -1.86 0.80 116.94 120.37 1ilf h PHE 18 Ca 0.21 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.16 1ilf h PHE 18 Cb 0.40 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.91 1ilf h PHE 18 CO 0.03 0.13 -0.16 0.00 -2.02 0.00 0.00 178.31 176.30 1ilf h ARG 19 N 0.00 0.00 -0.74 1.11 3.08 0.18 0.40 114.38 118.41 1ilf h ARG 19 Ca -0.00 0.00 0.21 0.00 0.07 0.00 0.00 59.98 60.26 1ilf h ARG 19 Cb 0.38 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.41 1ilf h ARG 19 CO 0.02 0.00 0.65 1.57 -1.07 0.00 0.00 179.97 181.13 1ilf h LYS 20 N -0.71 0.00 0.13 0.04 2.10 0.14 0.66 116.57 118.93 1ilf h LYS 20 Ca 0.00 0.00 -0.35 0.00 -2.00 0.00 0.00 60.65 58.30 1ilf h LYS 20 Cb 0.16 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.48 1ilf h LYS 20 CO 0.00 0.00 -1.87 -0.07 -2.00 0.00 0.00 179.45 175.51 1ilf h LEU 21 N 0.00 0.42 -0.83 7.07 3.38 -0.95 -3.31 115.31 121.09 1ilf h LEU 21 Ca 0.35 -0.82 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1ilf h LEU 21 Cb 1.64 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 42.25 1ilf h LEU 21 CO -0.00 1.72 0.10 -0.24 0.09 0.00 0.00 178.44 180.11 1ilf n SER 22 N -3.46 0.32 -1.72 -0.43 2.88 0.22 -1.99 113.62 109.44 1ilf n SER 22 Ca -0.27 0.60 0.00 0.00 -1.33 0.00 0.00 58.87 57.87 1ilf n SER 22 Cb 1.06 -0.62 0.00 0.00 -0.75 0.00 0.00 64.21 63.89 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 -1.94 1.23 -4.71 -1.46 5.12 -0.35 -3.95 116.66 110.61 1ilf n ARG 23 Ca -0.01 0.00 -0.33 0.00 -1.93 0.00 0.00 57.85 55.58 1ilf n ARG 23 Cb 0.12 0.00 -0.13 0.00 -1.16 0.00 0.00 32.46 31.29 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 -1.31 3.00 0.00 5.56 2.02 -1.26 -1.98 118.70 124.73 1ilf s GLU 24 Ca 0.00 -0.62 0.00 0.00 0.02 0.00 0.00 54.97 54.37 1ilf s GLU 24 Cb 0.00 -2.59 0.00 0.00 0.10 0.00 0.00 34.13 31.64 1ilf s GLU 24 CO 0.00 0.46 0.00 0.00 0.02 0.00 0.00 175.26 175.74 1ilf s GLU 26 N -0.35 4.34 0.38 0.00 -1.05 -1.26 -1.47 118.70 119.28 1ilf s GLU 26 Ca 0.00 0.57 0.08 0.00 -0.15 0.00 0.00 54.97 55.47 1ilf s GLU 26 Cb 0.00 -3.47 -0.06 0.00 -0.44 0.00 0.00 34.13 30.16 1ilf s GLU 26 CO 0.00 0.06 0.06 0.96 0.95 0.00 0.00 175.26 177.30 1ilf s ILE 27 N 0.90 2.35 0.18 1.83 -4.36 -0.84 -1.73 121.20 119.52 1ilf s ILE 27 Ca 0.29 -1.90 -0.18 0.00 -0.26 0.00 0.00 60.65 58.61 1ilf s ILE 27 Cb -0.16 -2.91 0.03 0.00 1.25 0.00 0.00 42.46 40.68 1ilf s ILE 27 CO 0.12 -0.08 0.50 -1.59 0.24 0.00 0.00 174.94 174.13 1ilf s LYS 28 N -3.77 1.30 -0.18 0.37 -2.85 -0.61 -1.85 119.74 112.14 1ilf s LYS 28 Ca 0.37 -0.80 -0.24 0.00 -1.00 0.00 0.00 55.97 54.30 1ilf s LYS 28 Cb 0.04 0.51 -0.01 0.00 -2.06 0.00 0.00 37.83 36.31 1ilf s LYS 28 CO 0.20 -0.54 0.80 -0.47 0.10 0.00 0.00 175.35 175.43 1ilf s TYR 29 N -3.85 3.40 0.00 1.78 5.04 -0.39 0.53 117.35 123.87 1ilf s TYR 29 Ca 0.07 1.18 0.03 0.00 -2.44 0.00 0.00 57.07 55.92 1ilf s TYR 29 Cb -0.00 -2.98 0.05 0.00 0.35 0.00 0.00 41.96 39.38 1ilf s TYR 29 CO -0.06 -0.25 0.81 0.25 -1.34 0.00 0.00 175.55 174.96 1ilf n THR 30 N 4.80 0.00 0.02 4.34 -2.24 -1.26 -4.85 114.28 115.10 1ilf n THR 30 Ca 0.04 -0.12 -0.02 0.00 -2.27 0.00 0.00 64.05 61.67 1ilf n THR 30 Cb 0.49 0.35 -0.01 0.00 -2.10 0.00 0.00 70.33 69.06 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 0.12 -0.14 0.00 3.38 0.00 -1.89 -3.43 103.07 101.10 1ilf h GLY 31 Ca -0.18 0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.20 1ilf h GLY 31 CO -0.07 -0.05 0.00 1.97 0.00 0.00 0.00 176.54 178.39 1ilf n PHE 32 N -4.06 0.00 0.66 5.60 -1.74 -1.26 -4.75 117.46 111.91 1ilf n PHE 32 Ca -0.02 -0.08 0.09 0.00 -0.56 0.00 0.00 57.45 56.89 1ilf n PHE 32 Cb 0.05 -0.01 0.42 0.00 1.52 0.00 0.00 39.48 41.46 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 -0.08 0.01 0.03 3.97 -4.01 -1.26 -3.59 116.66 111.73 1ilf n ARG 33 Ca 0.00 0.17 0.01 0.00 -1.04 0.00 0.00 57.85 56.99 1ilf n ARG 33 Cb 0.22 -1.51 0.06 0.00 -3.04 0.00 0.00 32.46 28.18 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 -1.53 0.06 0.01 2.89 -0.08 -1.26 -2.52 116.55 114.12 1ilf n ASP 34 Ca 0.05 0.33 0.00 0.00 -1.51 0.00 0.00 54.79 53.65 1ilf n ASP 34 Cb 0.23 -0.31 0.00 0.00 2.34 0.00 0.00 41.12 43.37 1ilf n ASP 34 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1ilf n ARG 35 N -1.42 0.00 -2.39 -0.67 3.00 -1.24 -4.92 116.66 109.03 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 -0.05 0.02 0.00 0.00 0.00 0.00 32.46 32.68 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 -2.64 4.32 -0.20 5.56 -0.04 -1.24 -4.85 135.00 135.90 1ilf n PRO 36 Ca 0.00 -4.26 -0.13 0.00 -0.04 0.00 0.00 63.50 59.07 1ilf n PRO 36 Cb 0.00 -2.38 -0.10 0.00 -0.04 0.00 0.00 33.50 30.98 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 3.67 -1.75 -0.82 0.54 2.76 -1.79 0.68 115.15 118.45 1ilf h HIS 37 Ca 0.53 0.09 0.24 0.00 -2.20 0.00 0.00 60.37 59.03 1ilf h HIS 37 Cb 0.24 0.83 -0.03 0.00 1.55 0.00 0.00 27.41 30.00 1ilf h HIS 37 CO 1.24 -0.47 0.70 0.93 -1.30 0.00 0.00 177.93 179.04 1ilf h GLU 38 N -0.31 0.00 0.17 5.26 5.08 -1.89 0.77 114.58 123.66 1ilf h GLU 38 Ca 0.09 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.11 1ilf h GLU 38 Cb 0.56 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.81 1ilf h GLU 38 CO -0.67 0.00 -1.69 1.49 -1.00 0.00 0.00 179.01 177.14 1ilf h GLU 39 N 0.00 0.36 -0.24 2.33 4.81 -0.88 -3.25 114.58 117.71 1ilf h GLU 39 Ca 0.39 -0.62 0.07 0.00 -0.13 0.00 0.00 59.36 59.07 1ilf h GLU 39 Cb 1.78 0.23 -0.01 0.00 0.63 0.00 0.00 28.75 31.38 1ilf h GLU 39 CO -0.00 1.26 0.37 0.00 -0.73 0.00 0.00 179.01 179.91 1ilf h ARG 40 N 0.10 0.00 -0.65 1.92 -0.00 0.61 0.28 114.38 116.65 1ilf h ARG 40 Ca -0.32 0.00 0.03 0.00 -0.50 0.00 0.00 59.98 59.19 1ilf h ARG 40 Cb 2.08 0.00 -0.04 0.00 0.00 0.00 0.00 29.97 32.01 1ilf h ARG 40 CO 0.18 0.00 0.40 -0.56 0.00 0.00 0.00 179.97 179.99 1ilf h GLN 41 N 0.00 0.76 0.04 0.04 3.07 -1.21 1.02 115.11 118.83 1ilf h GLN 41 Ca 0.12 -0.05 -0.25 0.00 0.09 0.00 0.00 58.65 58.56 1ilf h GLN 41 Cb 0.85 -0.17 -0.02 0.00 0.08 0.00 0.00 27.48 28.22 1ilf h GLN 41 CO -0.00 0.51 -1.26 1.15 0.09 0.00 0.00 178.83 179.32 1ilf h THR 42 N 0.79 1.43 -0.38 1.86 2.02 -0.74 -2.56 112.91 115.32 1ilf h THR 42 Ca 0.26 -3.13 -0.06 0.00 0.77 0.00 0.00 66.41 64.25 1ilf h THR 42 Cb 0.02 2.78 -0.02 0.00 -1.74 0.00 0.00 68.15 69.19 1ilf h THR 42 CO -0.10 0.85 -0.02 0.03 0.37 0.00 0.00 175.52 176.65 1ilf h ARG 43 N 0.03 0.62 0.25 6.66 2.47 -0.25 0.86 114.38 125.02 1ilf h ARG 43 Ca -0.12 -0.15 -0.01 0.00 -1.26 0.00 0.00 59.98 58.44 1ilf h ARG 43 Cb 1.89 -0.08 0.00 0.00 -1.65 0.00 0.00 29.97 30.13 1ilf h ARG 43 CO 0.14 0.66 -0.12 0.35 0.56 0.00 0.00 179.97 181.55 1ilf h PHE 44 N 0.58 -0.31 -0.01 3.04 3.57 0.10 0.18 116.94 124.09 1ilf h PHE 44 Ca 0.12 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.61 1ilf h PHE 44 Cb 0.40 0.10 -0.00 0.00 2.79 0.00 0.00 35.95 39.25 1ilf h PHE 44 CO 0.02 0.05 0.01 0.37 -2.23 0.00 0.00 178.31 176.52 1ilf h GLN 45 N -0.91 0.00 0.00 1.11 -0.00 -1.34 0.28 115.11 114.25 1ilf h GLN 45 Ca -0.03 0.00 -0.07 0.00 -0.00 0.00 0.00 58.65 58.54 1ilf h GLN 45 Cb 0.50 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 27.97 1ilf h GLN 45 CO 0.06 0.00 -0.36 -0.97 0.00 0.00 0.00 178.83 177.56 1ilf h ASN 46 N 0.00 0.00 0.80 -0.69 -0.73 0.81 -2.96 115.58 112.82 1ilf h ASN 46 Ca 0.00 0.00 -0.13 0.00 1.87 0.00 0.00 56.30 58.05 1ilf h ASN 46 Cb 0.02 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 38.59 1ilf h ASN 46 CO -0.00 0.34 -0.61 0.00 -0.37 0.00 0.00 177.43 176.78 1ilf h ALA 47 N 1.66 0.85 0.00 1.57 0.00 0.26 -2.13 119.26 121.48 1ilf h ALA 47 Ca -0.01 -0.56 -0.01 0.00 0.00 0.00 0.00 54.91 54.34 1ilf h ALA 47 Cb 1.26 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 1ilf h ALA 47 CO 0.04 0.77 -0.03 0.00 0.00 0.00 0.00 179.25 180.03 1ilf h ARG 49 N 0.00 0.00 -0.36 0.00 2.43 -1.40 -2.71 114.38 112.34 1ilf h ARG 49 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1ilf h ARG 49 Cb 0.43 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 1ilf h ARG 49 CO 0.00 0.03 0.00 -0.25 -1.51 0.00 0.00 179.97 178.25 1ilf n ASP 50 N -3.12 3.32 -2.84 -3.80 8.00 -0.10 -4.07 116.55 113.93 1ilf n ASP 50 Ca 0.02 -2.27 -0.20 0.00 0.71 0.00 0.00 54.79 53.04 1ilf n ASP 50 Cb 0.41 -0.34 0.01 0.00 -0.02 0.00 0.00 41.12 41.18 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 0.35 -0.51 3.20 0.44 0.00 -0.76 -4.92 105.19 103.00 1ilf n GLY 51 Ca 0.15 0.07 -0.11 0.00 0.00 0.00 0.00 46.02 46.13 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 -5.49 0.33 0.16 1.61 0.52 -0.50 0.52 118.95 116.10 1ilf s ARG 52 Ca 0.20 0.75 -0.06 0.00 -0.52 0.00 0.00 55.73 56.11 1ilf s ARG 52 Cb -0.09 -0.01 -0.02 0.00 0.52 0.00 0.00 34.95 35.34 1ilf s ARG 52 CO 0.24 -0.18 0.20 0.45 0.02 0.00 0.00 175.30 176.04 1ilf s SER 53 N 1.57 0.13 -0.26 0.23 0.15 -1.02 -4.11 113.70 110.40 1ilf s SER 53 Ca -0.08 -1.05 0.02 0.00 0.70 0.00 0.00 55.95 55.54 1ilf s SER 53 Cb -0.09 0.39 0.06 0.00 -1.71 0.00 0.00 66.02 64.67 1ilf s SER 53 CO -0.12 -0.85 -0.08 -0.70 1.20 0.00 0.00 173.24 172.70 1ilf s GLU 54 N -4.02 1.94 0.05 5.44 2.12 -1.26 -2.09 118.70 120.87 1ilf s GLU 54 Ca 0.22 -1.24 0.04 0.00 0.36 0.00 0.00 54.97 54.36 1ilf s GLU 54 Cb 0.05 -2.78 -0.04 0.00 0.26 0.00 0.00 34.13 31.62 1ilf s GLU 54 CO 0.03 -0.61 -0.06 0.42 -0.54 0.00 0.00 175.26 174.50 1ilf s ILE 55 N 1.21 3.68 0.14 -3.70 -1.09 0.06 -4.17 121.20 117.33 1ilf s ILE 55 Ca -0.06 -0.93 0.03 0.00 -2.23 0.00 0.00 60.65 57.45 1ilf s ILE 55 Cb -0.19 -2.67 -0.04 0.00 -1.58 0.00 0.00 42.46 37.98 1ilf s ILE 55 CO -0.06 0.27 0.24 0.00 -1.23 0.00 0.00 174.94 174.15 1ilf s ALA 56 N -1.12 3.87 -0.20 9.38 0.00 0.19 -0.67 121.76 133.20 1ilf s ALA 56 Ca 0.20 -1.06 -0.04 0.00 0.00 0.00 0.00 51.96 51.06 1ilf s ALA 56 Cb -0.11 -1.68 -0.02 0.00 0.00 0.00 0.00 23.12 21.31 1ilf s ALA 56 CO 0.11 0.56 -0.04 0.12 0.00 0.00 0.00 175.76 176.52 1ilf s PHE 57 N -1.72 2.98 -0.04 0.00 5.36 0.01 -1.58 117.98 122.99 1ilf s PHE 57 Ca 0.34 -0.67 0.16 0.00 -0.96 0.00 0.00 56.93 55.80 1ilf s PHE 57 Cb -0.11 -2.06 0.29 0.00 -0.34 0.00 0.00 43.02 40.80 1ilf s PHE 57 CO 0.27 -0.35 1.55 0.28 -1.46 0.00 0.00 175.22 175.51 1ilf h VAL 58 N 5.51 0.88 0.05 3.12 2.07 -1.66 0.18 116.25 126.40 1ilf h VAL 58 Ca -0.37 -2.00 0.03 0.00 0.82 0.00 0.00 66.70 65.19 1ilf h VAL 58 Cb 1.18 2.26 -0.05 0.00 -1.52 0.00 0.00 31.29 33.16 1ilf h VAL 58 CO 0.60 0.46 -0.36 0.00 0.02 0.00 0.00 177.57 178.29 1ilf h ALA 59 N 1.53 -0.57 0.00 1.67 0.00 -1.95 -3.29 119.26 116.65 1ilf h ALA 59 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1ilf h ALA 59 Cb 1.22 0.61 0.00 0.00 0.00 0.00 0.00 17.79 19.62 1ilf h ALA 59 CO 0.06 -0.89 -0.10 0.25 0.00 0.00 0.00 179.25 178.57 1ilf n THR 60 N -5.43 1.07 -2.80 0.00 -2.24 -1.25 -4.99 114.28 98.63 1ilf n THR 60 Ca -0.06 -1.23 -0.21 0.00 -2.27 0.00 0.00 64.05 60.28 1ilf n THR 60 Cb 0.35 0.24 0.02 0.00 -2.10 0.00 0.00 70.33 68.83 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 -0.75 -0.51 3.68 3.38 0.00 0.60 -4.95 105.19 106.64 1ilf n GLY 61 Ca 0.07 0.08 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 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 -3.09 5.11 0.34 2.61 -1.32 -1.03 -4.80 115.64 113.46 1ilf s THR 62 Ca 0.19 1.00 -0.25 0.00 -1.21 0.00 0.00 61.69 61.42 1ilf s THR 62 Cb -0.09 -3.86 -0.10 0.00 -1.51 0.00 0.00 72.50 66.94 1ilf s THR 62 CO 0.24 0.20 0.95 0.21 -2.21 0.00 0.00 174.62 174.01 1ilf s ASN 63 N 1.04 7.28 -0.06 8.08 3.84 -1.26 -0.81 114.94 133.04 1ilf s ASN 63 Ca 0.26 1.83 -0.03 0.00 0.21 0.00 0.00 52.86 55.13 1ilf s ASN 63 Cb -0.15 -2.58 0.04 0.00 -0.55 0.00 0.00 41.25 38.01 1ilf s ASN 63 CO 0.10 -0.11 0.12 -0.76 -2.79 0.00 0.00 177.10 173.65 1ilf s LEU 64 N -2.19 0.19 -0.32 3.21 1.43 0.15 -4.94 118.68 116.20 1ilf s LEU 64 Ca 0.52 0.23 -0.08 0.00 -1.03 0.00 0.00 54.13 53.77 1ilf s LEU 64 Cb -0.18 0.13 0.02 0.00 0.03 0.00 0.00 46.19 46.19 1ilf s LEU 64 CO 0.23 -0.22 0.12 -0.44 0.23 0.00 0.00 176.35 176.26 1ilf s SER 65 N 2.01 5.33 0.14 2.29 0.01 -1.26 -0.76 113.70 121.47 1ilf s SER 65 Ca 0.01 -0.87 0.10 0.00 1.31 0.00 0.00 55.95 56.50 1ilf s SER 65 Cb -0.12 -1.91 -0.04 0.00 0.21 0.00 0.00 66.02 64.16 1ilf s SER 65 CO -0.05 -0.27 -0.23 -0.76 0.41 0.00 0.00 173.24 172.34 1ilf s LEU 66 N 1.49 2.35 -0.36 2.44 1.02 -0.89 -5.03 118.68 119.70 1ilf s LEU 66 Ca 0.01 -0.77 -0.03 0.00 0.02 0.00 0.00 54.13 53.37 1ilf s LEU 66 Cb -0.18 -1.05 0.08 0.00 0.02 0.00 0.00 46.19 45.06 1ilf s LEU 66 CO 0.04 0.10 0.12 0.00 0.02 0.00 0.00 176.35 176.63 1ilf s GLN 67 N -2.22 2.23 -0.20 1.70 -2.07 -1.26 -2.44 119.66 115.40 1ilf s GLN 67 Ca 0.13 -1.55 -0.07 0.00 -1.82 0.00 0.00 55.36 52.06 1ilf s GLN 67 Cb -0.09 -3.44 -0.04 0.00 -1.09 0.00 0.00 33.01 28.36 1ilf s GLN 67 CO 0.06 -0.87 0.05 -0.59 -1.32 0.00 0.00 175.29 172.62 1ilf s PHE 68 N 1.22 3.17 0.06 9.60 -0.12 0.18 -4.36 117.98 127.73 1ilf s PHE 68 Ca 0.02 -0.11 -0.25 0.00 -0.05 0.00 0.00 56.93 56.54 1ilf s PHE 68 Cb -0.21 -2.10 0.06 0.00 -0.63 0.00 0.00 43.02 40.14 1ilf s PHE 68 CO -0.02 -0.01 0.60 -0.06 -0.05 0.00 0.00 175.22 175.68 1ilf s PHE 69 N 0.70 -0.54 -0.23 3.49 0.08 -1.26 -4.22 117.98 116.00 1ilf s PHE 69 Ca 0.02 0.62 -0.32 0.00 0.12 0.00 0.00 56.93 57.37 1ilf s PHE 69 Cb -0.13 0.44 -0.09 0.00 -0.57 0.00 0.00 43.02 42.67 1ilf s PHE 69 CO 0.02 -0.71 2.13 -2.30 -0.10 0.00 0.00 175.22 174.26 1ilf n PRO 70 N 0.27 1.71 0.31 0.24 -0.02 -1.26 -4.80 135.00 131.44 1ilf n PRO 70 Ca -0.18 0.52 0.18 0.00 -2.02 0.00 0.00 63.50 62.00 1ilf n PRO 70 Cb 0.61 -2.81 0.93 0.00 -0.02 0.00 0.00 33.50 32.22 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 12.60 1.33 -0.51 3.55 0.00 -1.98 0.47 119.26 134.71 1ilf h ALA 71 Ca -0.38 -0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.35 1ilf h ALA 71 Cb 1.28 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 18.97 1ilf h ALA 71 CO 0.98 -0.25 0.22 0.43 0.00 0.00 0.00 179.25 180.63 1ilf n SER 72 N -3.08 3.74 -4.41 0.00 7.64 -1.26 -4.88 113.62 111.37 1ilf n SER 72 Ca -0.01 -2.83 -0.32 0.00 1.01 0.00 0.00 58.87 56.72 1ilf n SER 72 Cb 0.30 -0.67 -0.14 0.00 -1.01 0.00 0.00 64.21 62.69 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 -2.11 2.59 0.03 1.43 0.52 0.15 -5.02 118.94 116.54 1ilf s TRP 73 Ca 0.36 -0.31 0.10 0.00 0.02 0.00 0.00 56.10 56.27 1ilf s TRP 73 Cb 0.29 -1.61 -0.22 0.00 -1.15 0.00 0.00 33.47 30.78 1ilf s TRP 73 CO 0.08 0.07 0.97 1.96 0.02 0.00 0.00 176.95 180.06 1ilf h GLN 74 N 5.54 0.00 0.00 4.98 4.20 -1.90 -3.48 115.11 124.46 1ilf h GLN 74 Ca -0.43 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.28 1ilf h GLN 74 Cb 1.15 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.93 1ilf h GLN 74 CO 0.50 0.74 0.00 0.41 -0.67 0.00 0.00 178.83 179.80 1ilf n GLY 75 N 1.45 -0.27 2.72 3.46 0.00 -1.26 -5.07 105.19 106.22 1ilf n GLY 75 Ca -0.08 0.52 -0.30 0.00 0.00 0.00 0.00 46.02 46.15 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 0.00 3.51 -0.32 1.61 -0.58 -1.26 -4.82 120.64 118.78 1ilf n GLU 76 Ca 0.00 -4.52 -0.01 0.00 -0.42 0.00 0.00 57.16 52.22 1ilf n GLU 76 Cb 0.00 -2.28 0.12 0.00 -0.57 0.00 0.00 31.44 28.72 1ilf n GLU 76 CO 0.00 0.00 0.00 -0.56 -0.48 0.00 0.00 177.13 176.09 1ilf h GLN 77 N 2.97 1.04 -0.33 3.49 3.07 -1.99 -2.51 115.11 120.86 1ilf h GLN 77 Ca 0.31 -0.06 0.07 0.00 0.09 0.00 0.00 58.65 59.05 1ilf h GLN 77 Cb 0.58 -0.24 -0.07 0.00 0.08 0.00 0.00 27.48 27.84 1ilf h GLN 77 CO 0.96 0.69 -0.11 0.00 0.09 0.00 0.00 178.83 180.46 1ilf h ARG 78 N 1.08 -0.03 -7.11 0.06 2.47 -2.01 -3.42 114.38 105.41 1ilf h ARG 78 Ca 0.36 0.00 -0.50 0.00 -1.26 0.00 0.00 59.98 58.59 1ilf h ARG 78 Cb 0.05 0.01 0.05 0.00 -1.65 0.00 0.00 29.97 28.43 1ilf h ARG 78 CO -0.13 -0.02 0.23 -0.65 0.56 0.00 0.00 179.97 179.96 1ilf s GLN 79 N -6.20 3.50 0.32 0.04 -0.21 -0.94 -5.06 119.66 111.10 1ilf s GLN 79 Ca -0.14 0.38 -0.20 0.00 0.02 0.00 0.00 55.36 55.42 1ilf s GLN 79 Cb 0.13 -2.26 -0.09 0.00 1.00 0.00 0.00 33.01 31.79 1ilf s GLN 79 CO 0.70 -0.39 0.83 -0.08 -2.12 0.00 0.00 175.29 174.23 1ilf s THR 80 N -2.93 4.47 1.03 -0.19 -1.32 -1.26 -4.91 115.64 110.53 1ilf s THR 80 Ca 0.51 1.37 -0.23 0.00 -1.21 0.00 0.00 61.69 62.13 1ilf s THR 80 Cb -0.11 -3.77 -0.06 0.00 -1.51 0.00 0.00 72.50 67.06 1ilf s THR 80 CO 0.48 -0.03 -0.82 -0.81 -2.21 0.00 0.00 174.62 171.24 1ilf n PRO 81 N 0.09 -0.74 -4.19 7.08 -0.04 -1.26 -5.02 135.00 130.93 1ilf n PRO 81 Ca 0.02 -0.21 -0.24 0.00 -0.04 0.00 0.00 63.50 63.04 1ilf n PRO 81 Cb 0.52 -1.29 -0.07 0.00 -0.04 0.00 0.00 33.50 32.62 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 -1.37 4.50 0.00 3.54 0.15 -1.26 -5.00 113.70 114.26 1ilf s SER 82 Ca 0.42 -0.85 0.00 0.00 0.70 0.00 0.00 55.95 56.22 1ilf s SER 82 Cb 0.01 -0.66 0.00 0.00 -1.71 0.00 0.00 66.02 63.66 1ilf s SER 82 CO 0.61 -0.27 0.91 0.54 1.20 0.00 0.00 173.24 176.23 1ilf n ARG 83 N -1.08 0.96 -0.07 5.44 1.74 -1.15 -2.09 116.66 120.41 1ilf n ARG 83 Ca -0.03 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 56.91 1ilf n ARG 83 Cb 0.62 -1.05 -0.06 0.00 -1.02 0.00 0.00 32.46 30.95 1ilf n ARG 83 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 1ilf h GLU 84 N 0.00 0.57 0.00 5.56 4.22 -1.99 -3.38 114.58 119.56 1ilf h GLU 84 Ca 0.00 -0.32 -0.11 0.00 0.08 0.00 0.00 59.36 59.01 1ilf h GLU 84 Cb 0.05 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 1ilf h GLU 84 CO 0.00 0.92 -1.39 0.66 -2.18 0.00 0.00 179.01 177.03 1ilf n TYR 85 N -4.35 0.00 -4.04 0.92 4.02 -1.23 -4.90 117.16 107.59 1ilf n TYR 85 Ca -0.05 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.52 1ilf n TYR 85 Cb 0.46 -0.26 -0.15 0.00 -0.02 0.00 0.00 39.34 39.37 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 -2.13 2.29 -0.13 -0.72 -7.23 -0.89 0.52 120.40 112.11 1ilf s VAL 86 Ca -0.09 -1.74 -0.03 0.00 -1.81 0.00 0.00 61.98 58.31 1ilf s VAL 86 Cb 0.03 -2.41 -0.03 0.00 0.56 0.00 0.00 36.38 34.53 1ilf s VAL 86 CO 0.15 -0.14 -0.02 -0.62 -0.31 0.00 0.00 175.10 174.15 1ilf s ASP 87 N 1.10 4.95 -0.09 4.85 -1.08 -1.11 -2.91 116.67 122.37 1ilf s ASP 87 Ca -0.05 -0.04 0.12 0.00 -0.52 0.00 0.00 52.55 52.06 1ilf s ASP 87 Cb -0.20 -1.66 -0.18 0.00 -1.46 0.00 0.00 42.92 39.43 1ilf s ASP 87 CO -0.05 0.24 0.12 0.18 0.52 0.00 0.00 175.17 176.18 1ilf n LEU 88 N 3.07 0.00 -3.82 -1.34 7.99 -1.26 -3.73 117.00 117.91 1ilf n LEU 88 Ca -0.18 0.00 -0.20 0.00 -0.01 0.00 0.00 56.01 55.63 1ilf n LEU 88 Cb 0.53 0.22 -0.17 0.00 -0.11 0.00 0.00 43.42 43.89 1ilf n LEU 88 CO 0.31 0.22 -0.38 -0.70 -1.51 0.00 0.00 177.39 175.33 1ilf s GLU 89 N -2.51 0.52 0.00 3.23 2.12 -1.26 -4.83 118.70 115.97 1ilf s GLU 89 Ca -0.06 0.05 0.00 0.00 0.36 0.00 0.00 54.97 55.32 1ilf s GLU 89 Cb 0.05 -0.72 0.00 0.00 0.26 0.00 0.00 34.13 33.73 1ilf s GLU 89 CO 0.54 -0.17 0.00 2.89 -0.54 0.00 0.00 175.26 177.98 1ilf n ARG 90 N 4.43 0.00 0.00 4.30 -4.01 -1.26 -5.07 116.66 115.05 1ilf n ARG 90 Ca -0.20 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.61 1ilf n ARG 90 Cb 0.50 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 29.92 1ilf n ARG 90 CO 0.00 0.00 0.00 -1.91 -3.04 0.00 0.00 177.63 172.68 1ilf n GLU 91 N -0.96 0.00 0.00 2.89 2.13 -1.26 -5.14 120.64 118.30 1ilf n GLU 91 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1ilf n GLU 91 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1ilf n GLU 91 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1ilf n ALA 92 N -3.00 0.00 0.00 4.31 0.00 -1.26 -5.05 120.51 115.51 1ilf n ALA 92 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ilf n ALA 92 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 2.90 3.45 0.00 0.00 -1.26 -5.11 105.19 105.18 1ilf n GLY 93 Ca 0.00 -0.46 -0.24 0.00 0.00 0.00 0.00 46.02 45.32 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 1.85 -0.04 1.61 3.01 -1.26 -4.15 119.74 120.76 1ilf s LYS 94 Ca 0.00 -2.11 0.05 0.00 -1.01 0.00 0.00 55.97 52.90 1ilf s LYS 94 Cb 0.00 -0.42 -0.01 0.00 -1.01 0.00 0.00 37.83 36.40 1ilf s LYS 94 CO 0.00 -0.49 -0.19 0.54 0.51 0.00 0.00 175.35 175.72 1ilf s VAL 95 N -3.31 1.56 0.12 3.17 0.11 -0.95 -4.87 120.40 116.23 1ilf s VAL 95 Ca 0.28 -0.79 0.10 0.00 -2.93 0.00 0.00 61.98 58.64 1ilf s VAL 95 Cb 0.03 -1.33 -0.04 0.00 -1.53 0.00 0.00 36.38 33.51 1ilf s VAL 95 CO 0.17 0.44 -0.26 -0.72 -3.33 0.00 0.00 175.10 171.40 1ilf s TYR 96 N -0.06 2.20 0.13 1.54 -0.85 -1.24 -0.72 117.35 118.35 1ilf s TYR 96 Ca -0.02 -0.39 -0.01 0.00 -0.52 0.00 0.00 57.07 56.12 1ilf s TYR 96 Cb -0.11 -1.20 -0.04 0.00 0.38 0.00 0.00 41.96 40.98 1ilf s TYR 96 CO 0.02 0.30 0.06 -0.48 -1.52 0.00 0.00 175.55 173.93 1ilf s LEU 97 N -1.96 1.75 -0.07 -3.49 -0.00 -0.64 -2.76 118.68 111.50 1ilf s LEU 97 Ca 0.12 -1.20 0.00 0.00 -0.00 0.00 0.00 54.13 53.05 1ilf s LEU 97 Cb -0.10 0.32 0.02 0.00 -0.00 0.00 0.00 46.19 46.43 1ilf s LEU 97 CO 0.05 -0.73 -0.05 -0.75 -0.00 0.00 0.00 176.35 174.87 1ilf s LYS 98 N -4.05 1.04 -0.02 1.48 2.20 0.18 -2.21 119.74 118.37 1ilf s LYS 98 Ca 0.24 -0.12 0.06 0.00 -0.36 0.00 0.00 55.97 55.79 1ilf s LYS 98 Cb 0.07 -1.12 -0.01 0.00 -1.51 0.00 0.00 37.83 35.26 1ilf s LYS 98 CO 0.02 -0.17 -0.19 0.00 -0.36 0.00 0.00 175.35 174.65 1ilf s ALA 99 N 1.34 1.57 -0.33 3.13 0.00 -0.55 -4.43 121.76 122.49 1ilf s ALA 99 Ca -0.04 -0.81 -0.19 0.00 0.00 0.00 0.00 51.96 50.92 1ilf s ALA 99 Cb -0.14 -0.40 -0.00 0.00 0.00 0.00 0.00 23.12 22.58 1ilf s ALA 99 CO -0.03 0.38 0.59 -1.25 0.00 0.00 0.00 175.76 175.45 1ilf s PRO 100 N -0.42 3.75 0.40 0.00 0.04 -1.26 -1.67 135.00 135.83 1ilf s PRO 100 Ca 0.07 0.07 0.05 0.00 0.04 0.00 0.00 61.00 61.22 1ilf s PRO 100 Cb -0.07 -3.78 -0.06 0.00 0.04 0.00 0.00 34.50 30.63 1ilf s PRO 100 CO -0.01 -0.63 0.03 -1.64 0.04 0.00 0.00 177.00 174.79 1ilf s MET 101 N 2.55 1.91 -0.35 4.56 -1.94 0.71 -4.88 119.30 121.85 1ilf s MET 101 Ca 0.23 -2.11 -0.03 0.00 -1.71 0.00 0.00 55.69 52.07 1ilf s MET 101 Cb -0.15 -1.31 0.07 0.00 2.01 0.00 0.00 34.83 35.46 1ilf s MET 101 CO 0.13 -0.18 0.11 0.42 -0.01 0.00 0.00 175.02 175.49 1ilf s ILE 102 N -2.95 3.26 0.10 2.53 -1.09 -1.26 -1.34 121.20 120.45 1ilf s ILE 102 Ca 0.30 -1.62 0.04 0.00 -2.23 0.00 0.00 60.65 57.14 1ilf s ILE 102 Cb 0.08 -3.03 -0.04 0.00 -1.58 0.00 0.00 42.46 37.89 1ilf s ILE 102 CO 0.14 -0.37 0.04 -0.76 -1.23 0.00 0.00 174.94 172.76 1ilf s LEU 103 N 1.23 3.59 0.00 2.97 1.43 -0.46 -4.86 118.68 122.58 1ilf s LEU 103 Ca 0.01 -0.14 0.00 0.00 -1.03 0.00 0.00 54.13 52.97 1ilf s LEU 103 Cb -0.21 -2.29 0.00 0.00 0.03 0.00 0.00 46.19 43.72 1ilf s LEU 103 CO -0.02 0.16 0.00 0.59 0.23 0.00 0.00 176.35 177.31 1ilf n ASN 104 N 0.41 0.00 -4.19 2.29 3.02 -1.26 0.14 115.26 115.67 1ilf n ASN 104 Ca -0.10 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.11 1ilf n ASN 104 Cb 0.52 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.63 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 -0.31 3.64 7.41 0.00 -1.26 -4.90 105.19 109.79 1ilf n GLY 105 Ca 0.00 0.21 -0.10 0.00 0.00 0.00 0.00 46.02 46.13 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 -4.12 0.00 -0.30 1.61 1.01 0.38 -2.81 120.40 116.17 1ilf s VAL 106 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 61.98 61.83 1ilf s VAL 106 Cb -0.08 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.31 1ilf s VAL 106 CO 0.95 0.00 1.28 0.00 0.00 0.00 0.00 175.10 177.32 1ilf s VAL 108 N 4.25 2.79 -0.14 0.00 -7.23 -0.45 -2.15 120.40 117.47 1ilf s VAL 108 Ca 0.55 -1.77 -0.01 0.00 -1.81 0.00 0.00 61.98 58.94 1ilf s VAL 108 Cb -0.16 -2.35 0.04 0.00 0.56 0.00 0.00 36.38 34.47 1ilf s VAL 108 CO 0.22 -0.07 -0.01 -0.63 -0.31 0.00 0.00 175.10 174.30 1ilf s ILE 109 N -1.57 0.72 -0.18 -0.62 -1.09 0.18 -0.21 121.20 118.43 1ilf s ILE 109 Ca 0.22 -0.38 -0.16 0.00 -2.23 0.00 0.00 60.65 58.10 1ilf s ILE 109 Cb -0.09 -0.99 -0.04 0.00 -1.58 0.00 0.00 42.46 39.77 1ilf s ILE 109 CO 0.12 0.08 0.40 0.86 -1.23 0.00 0.00 174.94 175.16 1ilf s TRP 110 N 1.80 3.41 -0.01 3.97 -0.00 -0.67 0.13 118.94 127.57 1ilf s TRP 110 Ca 0.02 0.66 0.03 0.00 -0.00 0.00 0.00 56.10 56.80 1ilf s TRP 110 Cb -0.15 -2.50 -0.00 0.00 -0.00 0.00 0.00 33.47 30.82 1ilf s TRP 110 CO -0.07 0.05 -0.09 0.21 -0.00 0.00 0.00 176.95 177.06 1ilf s LYS 111 N 1.08 0.80 0.00 5.86 2.36 -0.07 -1.49 119.74 128.28 1ilf s LYS 111 Ca 0.20 -0.30 0.00 0.00 -2.55 0.00 0.00 55.97 53.32 1ilf s LYS 111 Cb -0.14 -0.77 0.00 0.00 -1.05 0.00 0.00 37.83 35.87 1ilf s LYS 111 CO 0.08 0.15 0.00 0.41 1.55 0.00 0.00 175.35 177.54 1ilf n GLY 112 N 3.06 0.58 3.49 5.54 0.00 -0.94 -0.22 105.19 116.70 1ilf n GLY 112 Ca -0.16 -0.73 -0.27 0.00 0.00 0.00 0.00 46.02 44.87 1ilf n GLY 112 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1ilf s TRP 113 N -2.00 2.44 -0.02 1.61 1.48 0.33 -1.63 118.94 121.15 1ilf s TRP 113 Ca 0.00 -0.30 0.05 0.00 -1.06 0.00 0.00 56.10 54.79 1ilf s TRP 113 Cb 0.00 -1.19 -0.01 0.00 -1.16 0.00 0.00 33.47 31.11 1ilf s TRP 113 CO 0.00 0.52 -0.17 0.42 -4.06 0.00 0.00 176.95 173.66 1ilf s ILE 114 N -1.74 1.37 0.08 0.66 -1.09 0.10 -1.71 121.20 118.87 1ilf s ILE 114 Ca 0.23 -0.73 -0.23 0.00 -2.23 0.00 0.00 60.65 57.69 1ilf s ILE 114 Cb -0.08 -1.15 -0.06 0.00 -1.58 0.00 0.00 42.46 39.58 1ilf s ILE 114 CO 0.12 0.39 0.71 1.51 -1.23 0.00 0.00 174.94 176.44 1ilf s ASP 115 N -0.29 7.21 0.00 3.58 -4.77 -0.74 -2.24 116.67 119.42 1ilf s ASP 115 Ca 0.04 1.43 0.00 0.00 -3.30 0.00 0.00 52.55 50.72 1ilf s ASP 115 Cb -0.08 -2.44 0.00 0.00 -1.09 0.00 0.00 42.92 39.31 1ilf s ASP 115 CO 0.00 0.14 0.70 0.18 0.70 0.00 0.00 175.17 176.89 1ilf n LEU 116 N 2.20 0.22 0.01 2.11 4.77 -1.26 -0.94 117.00 124.11 1ilf n LEU 116 Ca -0.06 -0.11 -0.01 0.00 -0.03 0.00 0.00 56.01 55.80 1ilf n LEU 116 Cb 0.50 -0.11 -0.00 0.00 -2.33 0.00 0.00 43.42 41.47 1ilf n LEU 116 CO 0.45 0.06 -0.09 1.41 -1.33 0.00 0.00 177.39 177.89 1ilf n HIS 117 N -0.34 0.00 0.87 -1.77 8.25 -1.26 -4.78 115.22 116.19 1ilf n HIS 117 Ca 0.00 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.58 1ilf n HIS 117 Cb 0.06 -0.07 0.26 0.00 1.12 0.00 0.00 29.99 31.36 1ilf n HIS 117 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1ilf n ARG 118 N -3.15 0.09 -2.51 -0.41 1.74 -1.26 -4.94 116.66 106.23 1ilf n ARG 118 Ca -0.02 0.03 -0.15 0.00 -0.77 0.00 0.00 57.85 56.94 1ilf n ARG 118 Cb 0.07 -1.56 0.01 0.00 -1.02 0.00 0.00 32.46 29.96 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 -1.69 -1.96 -4.06 0.55 4.77 -0.12 -4.85 117.00 109.64 1ilf n LEU 119 Ca 0.05 -0.10 -0.13 0.00 -0.03 0.00 0.00 56.01 55.80 1ilf n LEU 119 Cb 0.37 -2.16 -0.12 0.00 -2.33 0.00 0.00 43.42 39.18 1ilf n LEU 119 CO 0.35 -0.00 -0.40 -1.81 -1.33 0.00 0.00 177.39 174.19 1ilf s ASP 120 N -2.58 0.85 0.00 -1.43 1.11 -1.25 -1.26 116.67 112.12 1ilf s ASP 120 Ca 0.10 -0.51 0.00 0.00 0.18 0.00 0.00 52.55 52.31 1ilf s ASP 120 Cb -0.04 0.03 0.00 0.00 1.07 0.00 0.00 42.92 43.97 1ilf s ASP 120 CO 0.12 -0.18 0.00 0.61 1.18 0.00 0.00 175.17 176.90 1ilf n GLY 121 N 1.58 2.98 2.84 0.21 0.00 -0.77 -1.79 105.19 110.24 1ilf n GLY 121 Ca -0.22 0.05 -0.13 0.00 0.00 0.00 0.00 46.02 45.71 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 4.05 0.02 0.40 1.61 -1.94 -0.69 -1.98 119.30 120.77 1ilf s MET 122 Ca 0.00 0.05 0.03 0.00 -1.71 0.00 0.00 55.69 54.06 1ilf s MET 122 Cb 0.00 -0.10 -0.04 0.00 2.01 0.00 0.00 34.83 36.70 1ilf s MET 122 CO 0.00 -0.05 0.08 0.20 -0.01 0.00 0.00 175.02 175.24 1ilf s GLY 123 N 0.33 2.54 -0.26 -0.03 0.00 -0.54 -0.51 107.32 108.83 1ilf s GLY 123 Ca -0.03 -1.36 -0.27 0.00 0.00 0.00 0.00 44.72 43.06 1ilf s GLY 123 CO -0.01 -1.91 1.26 0.00 0.00 0.00 0.00 173.10 172.45 1ilf s LEU 125 N -0.51 4.19 -0.19 0.00 1.43 -0.84 -0.89 118.68 121.87 1ilf s LEU 125 Ca 0.05 0.57 -0.05 0.00 -1.03 0.00 0.00 54.13 53.67 1ilf s LEU 125 Cb -0.03 -3.34 0.09 0.00 0.03 0.00 0.00 46.19 42.95 1ilf s LEU 125 CO -0.08 -0.06 0.37 -1.61 0.23 0.00 0.00 176.35 175.20 1ilf s GLU 126 N -3.16 0.28 0.20 1.70 2.02 0.12 -4.22 118.70 115.64 1ilf s GLU 126 Ca 0.41 0.85 -0.30 0.00 0.02 0.00 0.00 54.97 55.95 1ilf s GLU 126 Cb -0.11 0.04 -0.08 0.00 0.10 0.00 0.00 34.13 34.08 1ilf s GLU 126 CO 0.28 -0.35 0.95 0.12 0.02 0.00 0.00 175.26 176.28 1ilf s PHE 127 N 2.55 3.92 -0.57 1.61 2.19 -1.26 0.49 117.98 126.91 1ilf s PHE 127 Ca 0.02 1.87 -0.22 0.00 0.33 0.00 0.00 56.93 58.94 1ilf s PHE 127 Cb -0.13 -3.02 0.06 0.00 -1.31 0.00 0.00 43.02 38.62 1ilf s PHE 127 CO -0.12 0.33 0.84 0.34 1.83 0.00 0.00 175.22 178.44 1ilf s ASP 128 N -0.82 6.25 0.21 6.13 2.15 -0.91 -4.88 116.67 124.79 1ilf s ASP 128 Ca 0.43 -0.78 0.23 0.00 0.43 0.00 0.00 52.55 52.86 1ilf s ASP 128 Cb -0.26 -2.38 0.92 0.00 -0.30 0.00 0.00 42.92 40.90 1ilf s ASP 128 CO 0.32 -1.18 1.70 1.21 -0.17 0.00 0.00 175.17 177.05 1ilf n GLU 129 N 7.07 0.18 -0.07 4.34 2.13 -1.26 -1.12 120.64 131.90 1ilf n GLU 129 Ca -0.03 0.35 -0.13 0.00 0.66 0.00 0.00 57.16 58.00 1ilf n GLU 129 Cb 0.46 -1.80 -0.11 0.00 0.27 0.00 0.00 31.44 30.26 1ilf n GLU 129 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1ilf h GLU 130 N 0.00 0.00 -0.06 5.31 5.08 -1.99 -3.16 114.58 119.76 1ilf h GLU 130 Ca 0.00 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.20 1ilf h GLU 130 Cb 0.43 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 1ilf h GLU 130 CO 0.00 0.83 -0.67 -0.09 -1.00 0.00 0.00 179.01 178.09 1ilf h ARG 131 N -1.00 0.25 0.00 2.33 9.65 -1.97 -2.90 114.38 120.73 1ilf h ARG 131 Ca -0.07 -0.19 -0.01 0.00 -1.10 0.00 0.00 59.98 58.62 1ilf h ARG 131 Cb 0.91 0.03 -0.00 0.00 -1.39 0.00 0.00 29.97 29.52 1ilf h ARG 131 CO -0.04 0.82 -0.05 0.00 2.80 0.00 0.00 179.97 183.50 1ilf h ALA 132 N 1.13 1.10 0.00 2.80 0.00 -1.27 -1.94 119.26 121.08 1ilf h ALA 132 Ca -0.01 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 1ilf h ALA 132 Cb 1.20 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 1ilf h ALA 132 CO 0.10 0.07 -1.29 0.00 0.00 0.00 0.00 179.25 178.13 1ilf n GLN 133 N -3.29 0.62 0.03 0.00 10.64 -1.11 -4.05 117.38 120.21 1ilf n GLN 133 Ca -0.01 0.19 -0.16 0.00 -1.83 0.00 0.00 57.00 55.19 1ilf n GLN 133 Cb 0.23 -1.81 -0.06 0.00 -0.86 0.00 0.00 30.24 27.73 1ilf n GLN 133 CO 0.00 0.00 0.00 0.37 -1.83 0.00 0.00 177.06 175.60 1ilf h GLN 134 N 0.00 0.61 -0.97 2.61 4.15 -1.20 -3.02 115.11 117.29 1ilf h GLN 134 Ca -0.11 -0.59 0.24 0.00 0.77 0.00 0.00 58.65 58.95 1ilf h GLN 134 Cb 1.40 0.15 -0.08 0.00 0.21 0.00 0.00 27.48 29.17 1ilf h GLN 134 CO 0.03 1.21 0.64 1.05 -1.93 0.00 0.00 178.83 179.83 1ilf h GLU 135 N 0.37 0.36 -0.35 1.69 -0.00 -1.56 1.11 114.58 116.21 1ilf h GLU 135 Ca -0.08 -0.02 -0.16 0.00 -0.00 0.00 0.00 59.36 59.09 1ilf h GLU 135 Cb 1.54 -0.08 -0.01 0.00 -0.00 0.00 0.00 28.75 30.21 1ilf h GLU 135 CO 0.17 0.24 -0.41 0.22 -0.00 0.00 0.00 179.01 179.23 1ilf h ASP 136 N 0.37 0.93 0.20 3.06 1.82 -1.70 0.22 116.42 121.33 1ilf h ASP 136 Ca 0.52 -0.44 -0.01 0.00 -0.39 0.00 0.00 57.03 56.72 1ilf h ASP 136 Cb 1.38 -0.26 0.00 0.00 0.68 0.00 0.00 39.33 41.13 1ilf h ASP 136 CO -0.21 1.22 -0.10 0.00 -1.61 0.00 0.00 179.24 178.54 1ilf h ALA 137 N 0.82 -0.27 -0.37 -0.78 0.00 0.92 -2.93 119.26 116.65 1ilf h ALA 137 Ca 0.05 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 1ilf h ALA 137 Cb 1.00 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1ilf h ALA 137 CO 0.10 -0.41 0.15 -0.07 0.00 0.00 0.00 179.25 179.01 1ilf h LEU 138 N -0.75 0.46 -2.02 0.00 3.38 0.69 0.01 115.31 117.09 1ilf h LEU 138 Ca -0.03 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1ilf h LEU 138 Cb 0.51 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1ilf h LEU 138 CO 0.05 0.42 0.00 0.00 0.09 0.00 0.00 178.44 178.99 1ilf h ALA 139 N 1.65 1.00 -3.38 1.53 0.00 -0.53 -3.37 119.26 116.17 1ilf h ALA 139 Ca 0.13 0.00 -0.60 0.00 0.00 0.00 0.00 54.91 54.44 1ilf h ALA 139 Cb 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 17.79 17.50 1ilf h ALA 139 CO -0.01 0.00 -0.76 -0.65 0.00 0.00 0.00 179.25 177.83 1ilf s GLN 140 N -3.82 1.05 0.00 0.00 -0.21 -0.01 -4.81 119.66 111.87 1ilf s GLN 140 Ca -0.01 -1.13 0.00 0.00 0.02 0.00 0.00 55.36 54.23 1ilf s GLN 140 Cb 0.10 -2.37 0.00 0.00 1.00 0.00 0.00 33.01 31.75 1ilf s GLN 140 CO 0.43 -0.85 0.13 1.04 -2.12 0.00 0.00 175.29 173.92