#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 2.26 -0.88 0.03 -0.02 -1.26 -4.92 135.00 130.22 1ilf n PRO 2 Ca 0.00 0.79 -0.08 0.00 -2.02 0.00 0.00 63.50 62.20 1ilf n PRO 2 Cb 0.00 -2.42 0.21 0.00 -0.02 0.00 0.00 33.50 31.27 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 0.63 2.15 -3.97 -0.52 0.00 -1.26 -4.92 116.66 108.78 1ilf n ARG 3 Ca 0.04 -3.11 -0.30 0.00 -0.00 0.00 0.00 57.85 54.48 1ilf n ARG 3 Cb 0.36 -1.93 -0.16 0.00 -0.00 0.00 0.00 32.46 30.74 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 -3.20 1.50 0.38 8.89 -7.23 -1.26 -2.41 120.40 117.06 1ilf s VAL 4 Ca 0.48 -0.90 -0.16 0.00 -1.81 0.00 0.00 61.98 59.59 1ilf s VAL 4 Cb 0.42 -1.60 -0.09 0.00 0.56 0.00 0.00 36.38 35.67 1ilf s VAL 4 CO 0.04 0.17 0.82 0.68 -0.31 0.00 0.00 175.10 176.49 1ilf s VAL 5 N 1.46 4.60 0.38 1.32 -7.23 -0.91 -4.92 120.40 115.11 1ilf s VAL 5 Ca -0.01 1.07 0.31 0.00 -1.81 0.00 0.00 61.98 61.54 1ilf s VAL 5 Cb -0.16 -3.63 0.47 0.00 0.56 0.00 0.00 36.38 33.62 1ilf s VAL 5 CO -0.08 -0.30 1.25 -2.65 -0.31 0.00 0.00 175.10 173.01 1ilf n PRO 6 N -0.65 -0.02 -3.42 4.82 -0.02 -1.26 -2.91 135.00 131.55 1ilf n PRO 6 Ca 0.05 0.96 -0.22 0.00 -2.02 0.00 0.00 63.50 62.27 1ilf n PRO 6 Cb 0.54 -1.99 -0.10 0.00 -0.02 0.00 0.00 33.50 31.92 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 -4.19 2.08 0.18 2.55 1.01 -1.26 -5.00 116.67 112.05 1ilf s ASP 7 Ca -0.05 -1.44 -0.10 0.00 0.71 0.00 0.00 52.55 51.67 1ilf s ASP 7 Cb 0.24 0.19 0.08 0.00 1.01 0.00 0.00 42.92 44.44 1ilf s ASP 7 CO 0.68 -0.34 1.70 0.06 0.21 0.00 0.00 175.17 177.48 1ilf h GLN 8 N 7.60 1.01 0.00 8.23 -0.00 -1.79 -0.79 115.11 129.37 1ilf h GLN 8 Ca -0.04 -0.24 -0.03 0.00 -0.00 0.00 0.00 58.65 58.35 1ilf h GLN 8 Cb 1.03 -0.14 -0.00 0.00 -0.00 0.00 0.00 27.48 28.38 1ilf h GLN 8 CO 0.29 0.91 -0.13 0.07 -0.00 0.00 0.00 178.83 179.97 1ilf h ARG 9 N 0.93 0.00 -0.16 0.06 0.11 -1.94 -1.23 114.38 112.16 1ilf h ARG 9 Ca 0.20 0.00 0.01 0.00 0.10 0.00 0.00 59.98 60.29 1ilf h ARG 9 Cb 0.35 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.42 1ilf h ARG 9 CO 0.00 0.13 0.11 0.77 0.10 0.00 0.00 179.97 181.08 1ilf h SER 10 N 0.00 0.15 0.00 0.08 0.02 -1.54 0.64 113.55 112.90 1ilf h SER 10 Ca -0.00 -0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1ilf h SER 10 Cb 0.40 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 62.90 1ilf h SER 10 CO 0.02 0.11 -0.11 0.11 -1.14 0.00 0.00 176.83 175.82 1ilf h LYS 11 N 0.18 0.00 -0.38 3.45 1.79 -1.20 0.39 116.57 120.80 1ilf h LYS 11 Ca 0.06 0.00 0.11 0.00 -2.18 0.00 0.00 60.65 58.64 1ilf h LYS 11 Cb 0.03 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.67 1ilf h LYS 11 CO -0.01 0.22 0.56 0.35 -1.08 0.00 0.00 179.45 179.48 1ilf h PHE 12 N -1.00 0.00 0.00 -1.35 3.57 -1.25 0.94 116.94 117.86 1ilf h PHE 12 Ca -0.01 0.00 -0.37 0.00 3.53 0.00 0.00 57.97 61.12 1ilf h PHE 12 Cb 0.29 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 38.96 1ilf h PHE 12 CO 0.03 0.00 -2.38 0.39 -2.23 0.00 0.00 178.31 174.12 1ilf n GLU 13 N -3.38 0.72 -0.05 1.11 1.02 0.22 -4.54 120.64 115.75 1ilf n GLU 13 Ca 0.07 -0.01 -0.05 0.00 -0.02 0.00 0.00 57.16 57.15 1ilf n GLU 13 Cb 0.71 -1.52 -0.08 0.00 -0.02 0.00 0.00 31.44 30.54 1ilf n GLU 13 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1ilf n ASN 14 N -2.74 2.55 -4.75 1.62 5.15 0.14 -5.01 115.26 112.22 1ilf n ASN 14 Ca -0.33 0.00 -0.41 0.00 -0.60 0.00 0.00 54.58 53.24 1ilf n ASN 14 Cb 1.15 0.75 -0.02 0.00 -0.53 0.00 0.00 39.78 41.13 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 -2.24 4.21 -0.00 1.20 0.41 0.31 -4.96 118.70 117.64 1ilf s GLU 15 Ca -0.05 2.41 -0.00 0.00 -0.41 0.00 0.00 54.97 56.92 1ilf s GLU 15 Cb 0.03 -3.06 -0.00 0.00 -1.78 0.00 0.00 34.13 29.32 1ilf s GLU 15 CO 0.41 -0.47 0.43 1.05 -0.49 0.00 0.00 175.26 176.19 1ilf h GLU 16 N 4.49 -0.02 -0.49 1.61 4.11 -1.95 -1.17 114.58 121.16 1ilf h GLU 16 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.96 1ilf h GLU 16 Cb 1.22 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.45 1ilf h GLU 16 CO 0.75 -0.01 0.33 0.35 0.07 0.00 0.00 179.01 180.49 1ilf h PHE 17 N -0.03 0.62 -0.19 2.06 3.04 -1.97 1.00 116.94 121.48 1ilf h PHE 17 Ca -0.00 0.01 -0.05 0.00 3.98 0.00 0.00 57.97 61.91 1ilf h PHE 17 Cb 0.01 -0.21 -0.01 0.00 2.56 0.00 0.00 35.95 38.30 1ilf h PHE 17 CO 0.10 0.39 -0.10 0.35 -2.02 0.00 0.00 178.31 177.02 1ilf h PHE 18 N 0.67 0.31 0.00 0.41 3.04 -1.90 0.40 116.94 119.86 1ilf h PHE 18 Ca 0.18 -0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.10 1ilf h PHE 18 Cb -0.08 -0.09 0.00 0.00 2.56 0.00 0.00 35.95 38.35 1ilf h PHE 18 CO 0.00 0.40 -0.08 0.00 -2.02 0.00 0.00 178.31 176.61 1ilf h ARG 19 N 0.28 0.00 -1.45 1.11 3.08 0.44 0.54 114.38 118.38 1ilf h ARG 19 Ca 0.06 0.00 0.42 0.00 0.07 0.00 0.00 59.98 60.53 1ilf h ARG 19 Cb 0.36 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.35 1ilf h ARG 19 CO 0.02 0.00 1.03 0.87 -1.07 0.00 0.00 179.97 180.82 1ilf h LYS 20 N -0.97 0.02 0.13 0.04 1.57 0.97 0.94 116.57 119.28 1ilf h LYS 20 Ca 0.00 -0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.42 1ilf h LYS 20 Cb 0.08 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 1ilf h LYS 20 CO 0.00 0.02 -1.93 -0.07 -0.57 0.00 0.00 179.45 176.89 1ilf h LEU 21 N 0.02 0.44 -1.24 2.94 -0.00 -0.28 -3.34 115.31 113.85 1ilf h LEU 21 Ca 0.71 -0.94 0.00 0.00 -0.00 0.00 0.00 57.88 57.64 1ilf h LEU 21 Cb 2.75 -0.14 0.00 0.00 -0.00 0.00 0.00 40.66 43.27 1ilf h LEU 21 CO -0.05 1.84 0.51 0.77 -0.00 0.00 0.00 178.44 181.52 1ilf h SER 22 N 0.04 0.00 -3.70 -0.43 4.64 0.63 -2.37 113.55 112.36 1ilf h SER 22 Ca -0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 1ilf h SER 22 Cb 2.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.11 1ilf h SER 22 CO 0.09 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.59 1ilf n ARG 23 N -2.62 0.98 -4.07 4.77 5.12 -0.62 -3.73 116.66 116.50 1ilf n ARG 23 Ca -0.01 0.00 -0.35 0.00 -1.93 0.00 0.00 57.85 55.56 1ilf n ARG 23 Cb 0.54 0.00 -0.09 0.00 -1.16 0.00 0.00 32.46 31.75 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 -1.89 3.72 0.28 5.56 2.02 -1.26 -2.01 118.70 125.12 1ilf s GLU 24 Ca 0.00 -0.33 -0.09 0.00 0.02 0.00 0.00 54.97 54.57 1ilf s GLU 24 Cb 0.00 -3.13 -0.00 0.00 0.10 0.00 0.00 34.13 31.10 1ilf s GLU 24 CO 0.00 0.42 0.48 0.00 0.02 0.00 0.00 175.26 176.17 1ilf s GLU 26 N -3.59 4.38 0.19 0.00 2.02 -1.26 -1.33 118.70 119.11 1ilf s GLU 26 Ca 0.26 2.11 0.09 0.00 0.02 0.00 0.00 54.97 57.44 1ilf s GLU 26 Cb -0.00 -3.16 -0.04 0.00 0.10 0.00 0.00 34.13 31.02 1ilf s GLU 26 CO 0.13 -0.24 -0.17 0.96 0.02 0.00 0.00 175.26 175.96 1ilf s ILE 27 N -0.21 1.88 0.06 -1.63 -4.36 0.14 -1.64 121.20 115.43 1ilf s ILE 27 Ca 0.55 -2.06 -0.07 0.00 -0.26 0.00 0.00 60.65 58.81 1ilf s ILE 27 Cb -0.38 -1.96 -0.01 0.00 1.25 0.00 0.00 42.46 41.37 1ilf s ILE 27 CO 0.42 -0.40 0.15 -0.54 0.24 0.00 0.00 174.94 174.80 1ilf s LYS 28 N -3.12 0.74 -0.12 0.37 1.02 -0.82 0.32 119.74 118.12 1ilf s LYS 28 Ca 0.19 -0.89 -0.26 0.00 0.02 0.00 0.00 55.97 55.04 1ilf s LYS 28 Cb -0.04 0.29 -0.02 0.00 -0.52 0.00 0.00 37.83 37.54 1ilf s LYS 28 CO 0.08 -0.21 0.85 -0.47 -0.92 0.00 0.00 175.35 174.67 1ilf s TYR 29 N -3.38 3.49 0.00 3.18 5.04 -0.96 0.25 117.35 124.97 1ilf s TYR 29 Ca 0.01 1.35 0.04 0.00 -2.44 0.00 0.00 57.07 56.03 1ilf s TYR 29 Cb 0.03 -3.01 0.06 0.00 0.35 0.00 0.00 41.96 39.39 1ilf s TYR 29 CO -0.08 -0.15 0.95 0.25 -1.34 0.00 0.00 175.55 175.18 1ilf n THR 30 N 4.44 0.00 -0.04 4.34 -2.24 -1.26 -4.86 114.28 114.65 1ilf n THR 30 Ca 0.04 -0.15 -0.00 0.00 -2.27 0.00 0.00 64.05 61.67 1ilf n THR 30 Cb 0.49 0.50 -0.00 0.00 -2.10 0.00 0.00 70.33 69.22 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 -0.00 -1.73 3.38 0.00 -1.89 -3.43 103.07 99.54 1ilf h GLY 31 Ca -0.41 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 46.84 1ilf h GLY 31 CO -0.18 -0.00 -0.67 1.97 0.00 0.00 0.00 176.54 177.66 1ilf n PHE 32 N -4.09 0.00 0.94 5.60 1.16 -1.26 -4.79 117.46 115.03 1ilf n PHE 32 Ca -0.00 -0.51 0.12 0.00 -1.87 0.00 0.00 57.45 55.19 1ilf n PHE 32 Cb 0.00 -0.13 0.28 0.00 -1.61 0.00 0.00 39.48 38.02 1ilf n PHE 32 CO 0.00 0.00 0.00 2.89 -1.87 0.00 0.00 176.76 177.78 1ilf n ARG 33 N -0.09 0.04 0.11 3.97 -4.01 -1.26 -4.08 116.66 111.34 1ilf n ARG 33 Ca 0.07 0.01 0.04 0.00 -1.04 0.00 0.00 57.85 56.93 1ilf n ARG 33 Cb 0.88 -1.52 0.22 0.00 -3.04 0.00 0.00 32.46 29.00 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 -1.58 0.21 0.04 2.89 9.92 -1.26 -2.86 116.55 123.90 1ilf n ASP 34 Ca 0.05 0.45 0.00 0.00 -0.53 0.00 0.00 54.79 54.76 1ilf n ASP 34 Cb 0.35 -0.40 0.00 0.00 -0.64 0.00 0.00 41.12 40.43 1ilf n ASP 34 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1ilf n ARG 35 N -1.79 0.00 -3.34 -1.24 3.00 -1.26 -4.94 116.66 107.10 1ilf n ARG 35 Ca -0.01 0.00 -0.40 0.00 -0.01 0.00 0.00 57.85 57.44 1ilf n ARG 35 Cb 0.32 -0.28 -0.03 0.00 0.00 0.00 0.00 32.46 32.47 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 -3.13 3.45 0.24 5.56 -0.04 -1.20 -4.90 135.00 134.98 1ilf n PRO 36 Ca 0.00 -4.52 -0.10 0.00 -0.04 0.00 0.00 63.50 58.84 1ilf n PRO 36 Cb 0.00 -2.46 -0.05 0.00 -0.04 0.00 0.00 33.50 30.95 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 5.79 -0.60 -0.27 0.54 2.76 -1.83 1.53 115.15 123.08 1ilf h HIS 37 Ca 0.18 -0.01 0.08 0.00 -2.20 0.00 0.00 60.37 58.42 1ilf h HIS 37 Cb 0.75 0.20 -0.01 0.00 1.55 0.00 0.00 27.41 29.90 1ilf h HIS 37 CO 0.82 -0.37 0.29 0.93 -1.30 0.00 0.00 177.93 178.29 1ilf h GLU 38 N -0.96 0.00 0.15 5.26 5.08 -1.90 0.28 114.58 122.49 1ilf h GLU 38 Ca -0.07 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 57.96 1ilf h GLU 38 Cb 0.50 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.74 1ilf h GLU 38 CO 0.11 0.00 -1.70 1.49 -1.00 0.00 0.00 179.01 177.91 1ilf h GLU 39 N 0.00 0.32 -0.44 2.33 4.57 -1.93 -3.25 114.58 116.18 1ilf h GLU 39 Ca 0.13 -0.55 0.13 0.00 -1.18 0.00 0.00 59.36 57.88 1ilf h GLU 39 Cb 0.70 0.21 -0.02 0.00 -0.16 0.00 0.00 28.75 29.48 1ilf h GLU 39 CO -0.00 1.21 0.47 -0.09 -1.18 0.00 0.00 179.01 179.42 1ilf h ARG 40 N 0.09 0.00 -0.53 1.92 1.12 0.58 0.30 114.38 117.85 1ilf h ARG 40 Ca -0.32 0.00 0.06 0.00 -1.11 0.00 0.00 59.98 58.61 1ilf h ARG 40 Cb 2.07 0.00 -0.05 0.00 -0.01 0.00 0.00 29.97 31.97 1ilf h ARG 40 CO 0.16 0.00 0.25 -0.56 -3.11 0.00 0.00 179.97 176.71 1ilf h GLN 41 N 0.00 0.47 0.03 0.20 3.07 -1.30 1.03 115.11 118.61 1ilf h GLN 41 Ca 0.21 -0.03 -0.24 0.00 0.09 0.00 0.00 58.65 58.68 1ilf h GLN 41 Cb 1.15 -0.11 -0.03 0.00 0.08 0.00 0.00 27.48 28.57 1ilf h GLN 41 CO -0.00 0.31 -1.17 1.15 0.09 0.00 0.00 178.83 179.21 1ilf h THR 42 N 0.48 1.53 -0.29 1.86 2.02 -0.74 -2.53 112.91 115.25 1ilf h THR 42 Ca 0.24 -3.23 -0.03 0.00 0.77 0.00 0.00 66.41 64.16 1ilf h THR 42 Cb 0.19 2.80 -0.02 0.00 -1.74 0.00 0.00 68.15 69.38 1ilf h THR 42 CO -0.19 0.89 0.04 -0.09 0.37 0.00 0.00 175.52 176.53 1ilf h ARG 43 N 0.01 0.42 0.15 6.66 2.43 0.15 0.95 114.38 125.15 1ilf h ARG 43 Ca -0.08 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.01 1ilf h ARG 43 Cb 1.85 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 31.33 1ilf h ARG 43 CO 0.13 0.41 -0.07 0.35 -1.51 0.00 0.00 179.97 179.29 1ilf h PHE 44 N 0.41 -0.18 -0.16 2.20 3.57 0.11 0.45 116.94 123.34 1ilf h PHE 44 Ca 0.10 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.64 1ilf h PHE 44 Cb 0.21 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.00 1ilf h PHE 44 CO 0.01 0.21 0.14 0.37 -2.23 0.00 0.00 178.31 176.80 1ilf h GLN 45 N -0.95 0.00 0.00 1.11 4.15 -1.26 0.43 115.11 118.60 1ilf h GLN 45 Ca -0.02 0.00 -0.15 0.00 0.77 0.00 0.00 58.65 59.25 1ilf h GLN 45 Cb 0.47 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.14 1ilf h GLN 45 CO 0.03 0.00 -0.77 -0.97 -1.93 0.00 0.00 178.83 175.20 1ilf h ASN 46 N 0.00 0.00 0.46 -0.69 -1.24 0.93 -3.08 115.58 111.97 1ilf h ASN 46 Ca 0.08 0.00 -0.12 0.00 0.71 0.00 0.00 56.30 56.97 1ilf h ASN 46 Cb 0.35 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.39 1ilf h ASN 46 CO -0.00 0.72 -0.53 0.00 -1.29 0.00 0.00 177.43 176.32 1ilf h ALA 47 N 1.28 1.06 0.00 1.57 0.00 0.21 -1.41 119.26 121.97 1ilf h ALA 47 Ca -0.02 -0.49 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 1ilf h ALA 47 Cb 1.56 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.27 1ilf h ALA 47 CO 0.09 0.67 -0.03 0.00 0.00 0.00 0.00 179.25 179.99 1ilf h ARG 49 N 0.00 0.00 -0.48 0.00 2.43 -1.29 -2.55 114.38 112.49 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 0.29 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 1ilf h ARG 49 CO 0.00 0.33 0.00 -0.25 -1.51 0.00 0.00 179.97 178.54 1ilf n ASP 50 N -3.52 3.67 -2.94 -3.80 8.00 0.15 -4.53 116.55 113.58 1ilf n ASP 50 Ca -0.00 -2.24 -0.21 0.00 0.71 0.00 0.00 54.79 53.05 1ilf n ASP 50 Cb 0.48 -0.40 0.01 0.00 -0.02 0.00 0.00 41.12 41.19 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 0.73 -0.51 3.22 0.44 0.00 -0.61 -4.92 105.19 103.55 1ilf n GLY 51 Ca 0.19 0.08 -0.11 0.00 0.00 0.00 0.00 46.02 46.18 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 -5.60 0.34 0.17 1.61 0.52 -0.60 0.60 118.95 116.00 1ilf s ARG 52 Ca 0.24 0.78 -0.06 0.00 -0.52 0.00 0.00 55.73 56.17 1ilf s ARG 52 Cb -0.12 0.01 -0.02 0.00 0.52 0.00 0.00 34.95 35.34 1ilf s ARG 52 CO 0.30 -0.18 0.22 -1.54 0.02 0.00 0.00 175.30 174.12 1ilf s SER 53 N 1.61 0.11 -0.29 0.23 1.04 -0.89 -4.20 113.70 111.32 1ilf s SER 53 Ca -0.08 -1.04 0.02 0.00 0.48 0.00 0.00 55.95 55.33 1ilf s SER 53 Cb -0.09 0.41 0.08 0.00 0.10 0.00 0.00 66.02 66.51 1ilf s SER 53 CO -0.12 -0.87 -0.02 -0.70 0.98 0.00 0.00 173.24 172.51 1ilf s GLU 54 N -4.02 1.68 0.10 4.02 2.12 -1.26 -1.91 118.70 119.43 1ilf s GLU 54 Ca 0.23 -1.43 0.06 0.00 0.36 0.00 0.00 54.97 54.19 1ilf s GLU 54 Cb 0.04 -2.85 -0.04 0.00 0.26 0.00 0.00 34.13 31.54 1ilf s GLU 54 CO 0.03 -0.75 -0.05 0.42 -0.54 0.00 0.00 175.26 174.38 1ilf s ILE 55 N 1.14 3.69 0.14 -3.70 1.09 -0.08 -3.75 121.20 119.74 1ilf s ILE 55 Ca 0.01 -1.15 0.02 0.00 -1.10 0.00 0.00 60.65 58.43 1ilf s ILE 55 Cb -0.19 -2.75 -0.04 0.00 -1.06 0.00 0.00 42.46 38.42 1ilf s ILE 55 CO -0.08 0.10 0.26 0.00 -0.10 0.00 0.00 174.94 175.12 1ilf s ALA 56 N -1.29 3.93 -0.21 9.38 0.00 0.14 -0.86 121.76 132.85 1ilf s ALA 56 Ca 0.24 -1.02 -0.05 0.00 0.00 0.00 0.00 51.96 51.12 1ilf s ALA 56 Cb -0.11 -1.74 -0.02 0.00 0.00 0.00 0.00 23.12 21.24 1ilf s ALA 56 CO 0.16 0.57 -0.00 0.12 0.00 0.00 0.00 175.76 176.61 1ilf s PHE 57 N -1.71 3.02 0.07 0.00 5.36 0.10 -1.94 117.98 122.89 1ilf s PHE 57 Ca 0.34 -0.57 -0.11 0.00 -0.96 0.00 0.00 56.93 55.63 1ilf s PHE 57 Cb -0.11 -2.11 -0.25 0.00 -0.34 0.00 0.00 43.02 40.21 1ilf s PHE 57 CO 0.28 -0.33 1.14 0.28 -1.46 0.00 0.00 175.22 175.13 1ilf h VAL 58 N 5.49 1.33 -0.85 3.12 2.07 -1.62 0.27 116.25 126.07 1ilf h VAL 58 Ca -0.37 -2.55 0.19 0.00 0.82 0.00 0.00 66.70 64.79 1ilf h VAL 58 Cb 1.17 2.69 -0.16 0.00 -1.52 0.00 0.00 31.29 33.47 1ilf h VAL 58 CO 0.60 0.77 -0.09 0.00 0.02 0.00 0.00 177.57 178.87 1ilf h ALA 59 N 0.41 0.76 0.00 1.67 0.00 -1.93 -2.85 119.26 117.32 1ilf h ALA 59 Ca -0.16 0.30 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1ilf h ALA 59 Cb 1.87 0.56 0.00 0.00 0.00 0.00 0.00 17.79 20.22 1ilf h ALA 59 CO 0.22 -0.44 -0.14 0.25 0.00 0.00 0.00 179.25 179.14 1ilf n THR 60 N -5.47 0.81 -3.57 0.00 -2.24 -1.25 -5.00 114.28 97.56 1ilf n THR 60 Ca 0.15 -0.93 -0.27 0.00 -2.27 0.00 0.00 64.05 60.73 1ilf n THR 60 Cb 0.51 0.36 0.02 0.00 -2.10 0.00 0.00 70.33 69.11 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 -0.57 -0.50 3.76 3.38 0.00 0.87 -4.95 105.19 107.18 1ilf n GLY 61 Ca 0.05 0.15 -0.35 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 -3.16 5.36 0.37 2.61 -1.32 -0.76 -4.84 115.64 113.91 1ilf s THR 62 Ca 0.52 0.17 -0.24 0.00 -1.21 0.00 0.00 61.69 60.92 1ilf s THR 62 Cb -0.26 -3.42 -0.10 0.00 -1.51 0.00 0.00 72.50 67.21 1ilf s THR 62 CO 0.64 0.49 0.95 0.21 -2.21 0.00 0.00 174.62 174.69 1ilf s ASN 63 N 0.02 7.17 -0.08 8.08 3.84 -1.26 0.03 114.94 132.74 1ilf s ASN 63 Ca 0.09 1.80 -0.03 0.00 0.21 0.00 0.00 52.86 54.93 1ilf s ASN 63 Cb -0.11 -2.57 0.04 0.00 -0.55 0.00 0.00 41.25 38.06 1ilf s ASN 63 CO -0.00 -0.19 0.15 -0.76 -2.79 0.00 0.00 177.10 173.50 1ilf s LEU 64 N -2.48 0.10 -0.37 3.21 1.43 -0.04 -4.90 118.68 115.62 1ilf s LEU 64 Ca 0.55 0.30 -0.09 0.00 -1.03 0.00 0.00 54.13 53.86 1ilf s LEU 64 Cb -0.15 0.24 0.05 0.00 0.03 0.00 0.00 46.19 46.36 1ilf s LEU 64 CO 0.20 -0.23 0.18 -0.44 0.23 0.00 0.00 176.35 176.30 1ilf s SER 65 N 2.06 5.54 0.15 2.29 0.01 -1.26 -0.90 113.70 121.59 1ilf s SER 65 Ca 0.01 -1.21 0.11 0.00 1.31 0.00 0.00 55.95 56.17 1ilf s SER 65 Cb -0.12 -1.95 -0.04 0.00 0.21 0.00 0.00 66.02 64.12 1ilf s SER 65 CO -0.05 -0.41 -0.24 -0.76 0.41 0.00 0.00 173.24 172.19 1ilf s LEU 66 N 1.45 2.43 -0.33 2.44 1.02 -0.80 -5.02 118.68 119.87 1ilf s LEU 66 Ca 0.01 -0.75 0.00 0.00 0.02 0.00 0.00 54.13 53.41 1ilf s LEU 66 Cb -0.20 -1.27 0.08 0.00 0.02 0.00 0.00 46.19 44.81 1ilf s LEU 66 CO 0.04 0.16 0.05 -1.10 0.02 0.00 0.00 176.35 175.52 1ilf s GLN 67 N -2.27 2.03 -0.19 1.70 -0.21 -1.26 -2.10 119.66 117.36 1ilf s GLN 67 Ca 0.17 -1.59 -0.08 0.00 0.02 0.00 0.00 55.36 53.88 1ilf s GLN 67 Cb -0.09 -3.25 -0.04 0.00 1.00 0.00 0.00 33.01 30.62 1ilf s GLN 67 CO 0.08 -0.82 0.07 -0.59 -2.12 0.00 0.00 175.29 171.91 1ilf s PHE 68 N 1.10 3.25 0.06 0.91 -0.12 0.20 -4.25 117.98 119.14 1ilf s PHE 68 Ca 0.02 0.06 -0.26 0.00 -0.05 0.00 0.00 56.93 56.71 1ilf s PHE 68 Cb -0.20 -2.11 0.07 0.00 -0.63 0.00 0.00 43.02 40.14 1ilf s PHE 68 CO -0.04 0.12 0.61 -0.06 -0.05 0.00 0.00 175.22 175.80 1ilf s PHE 69 N 0.51 -0.56 -0.33 3.49 0.08 -1.26 -4.23 117.98 115.68 1ilf s PHE 69 Ca 0.04 0.66 -0.28 0.00 0.12 0.00 0.00 56.93 57.47 1ilf s PHE 69 Cb -0.13 0.45 -0.03 0.00 -0.57 0.00 0.00 43.02 42.75 1ilf s PHE 69 CO 0.01 -0.71 1.91 -1.25 -0.10 0.00 0.00 175.22 175.08 1ilf s PRO 70 N -2.50 3.19 0.58 0.24 0.04 -1.26 -4.62 135.00 130.67 1ilf s PRO 70 Ca -0.05 1.49 0.29 0.00 0.04 0.00 0.00 61.00 62.78 1ilf s PRO 70 Cb -0.01 -4.26 1.44 0.00 0.04 0.00 0.00 34.50 31.71 1ilf s PRO 70 CO -0.02 -2.03 1.84 0.00 0.04 0.00 0.00 177.00 176.83 1ilf h ALA 71 N 13.76 2.40 0.00 8.56 0.00 -1.98 0.53 119.26 142.53 1ilf h ALA 71 Ca -0.34 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1ilf h ALA 71 Cb 1.19 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1ilf h ALA 71 CO 1.04 -0.91 0.00 0.66 0.00 0.00 0.00 179.25 180.04 1ilf h SER 72 N 0.00 0.00 -3.15 0.00 4.64 -2.05 -3.42 113.55 109.57 1ilf h SER 72 Ca 0.29 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 61.02 1ilf h SER 72 Cb 1.47 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.50 1ilf h SER 72 CO -0.00 0.00 -0.17 0.26 -0.87 0.00 0.00 176.83 176.05 1ilf s TRP 73 N -3.50 3.66 -0.00 4.77 0.52 0.18 -4.98 118.94 119.59 1ilf s TRP 73 Ca 0.01 0.98 0.03 0.00 0.02 0.00 0.00 56.10 57.15 1ilf s TRP 73 Cb 0.09 -2.40 -0.25 0.00 -1.15 0.00 0.00 33.47 29.76 1ilf s TRP 73 CO 0.36 0.48 0.82 1.96 0.02 0.00 0.00 176.95 180.59 1ilf h GLN 74 N 5.38 0.13 0.00 4.98 1.08 -1.85 -3.48 115.11 121.35 1ilf h GLN 74 Ca -0.48 -0.23 0.00 0.00 -1.45 0.00 0.00 58.65 56.49 1ilf h GLN 74 Cb 1.20 0.09 0.00 0.00 -0.05 0.00 0.00 27.48 28.72 1ilf h GLN 74 CO 0.67 0.91 0.00 0.41 -0.95 0.00 0.00 178.83 179.87 1ilf n GLY 75 N 1.61 -0.86 2.57 3.46 0.00 -1.26 -5.07 105.19 105.64 1ilf n GLY 75 Ca -0.15 0.75 -0.21 0.00 0.00 0.00 0.00 46.02 46.41 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 2.49 -0.34 1.61 1.02 -1.26 -4.89 120.64 119.27 1ilf n GLU 76 Ca 0.00 -4.07 0.23 0.00 -0.02 0.00 0.00 57.16 53.29 1ilf n GLU 76 Cb 0.00 -1.89 0.49 0.00 -0.02 0.00 0.00 31.44 30.02 1ilf n GLU 76 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 1ilf h GLN 77 N 2.80 0.40 -0.47 3.49 1.08 -1.99 0.59 115.11 121.01 1ilf h GLN 77 Ca 0.14 -0.02 0.09 0.00 -1.45 0.00 0.00 58.65 57.40 1ilf h GLN 77 Cb 0.95 -0.09 -0.08 0.00 -0.05 0.00 0.00 27.48 28.21 1ilf h GLN 77 CO 0.71 0.26 -0.00 0.00 -0.95 0.00 0.00 178.83 178.85 1ilf h ARG 78 N 0.41 0.11 -7.13 1.46 2.47 -2.01 -3.42 114.38 106.26 1ilf h ARG 78 Ca 0.63 -0.01 -0.49 0.00 -1.26 0.00 0.00 59.98 58.85 1ilf h ARG 78 Cb 1.53 -0.02 0.05 0.00 -1.65 0.00 0.00 29.97 29.88 1ilf h ARG 78 CO -0.36 0.07 0.24 -0.65 0.56 0.00 0.00 179.97 179.83 1ilf s GLN 79 N -6.17 3.41 0.33 0.04 -0.21 0.20 -5.06 119.66 112.18 1ilf s GLN 79 Ca -0.13 0.35 -0.21 0.00 0.02 0.00 0.00 55.36 55.39 1ilf s GLN 79 Cb 0.16 -2.24 -0.10 0.00 1.00 0.00 0.00 33.01 31.83 1ilf s GLN 79 CO 0.72 -0.46 0.85 -0.08 -2.12 0.00 0.00 175.29 174.20 1ilf s THR 80 N -2.96 4.44 1.19 -0.19 -1.32 -1.26 -4.93 115.64 110.61 1ilf s THR 80 Ca 0.52 1.42 -0.18 0.00 -1.21 0.00 0.00 61.69 62.24 1ilf s THR 80 Cb -0.11 -3.78 0.24 0.00 -1.51 0.00 0.00 72.50 67.35 1ilf s THR 80 CO 0.48 -0.04 0.52 -0.81 -2.21 0.00 0.00 174.62 172.56 1ilf n PRO 81 N 0.08 -3.07 -4.19 7.08 -0.04 -1.26 -5.05 135.00 128.55 1ilf n PRO 81 Ca 0.03 -0.90 -0.24 0.00 -0.04 0.00 0.00 63.50 62.35 1ilf n PRO 81 Cb 0.52 -1.71 -0.07 0.00 -0.04 0.00 0.00 33.50 32.20 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 -2.35 4.48 0.03 3.54 0.01 -1.26 -5.00 113.70 113.15 1ilf s SER 82 Ca 0.52 -0.87 0.12 0.00 1.31 0.00 0.00 55.95 57.03 1ilf s SER 82 Cb -0.11 -0.64 0.53 0.00 0.21 0.00 0.00 66.02 66.01 1ilf s SER 82 CO 0.48 -0.29 1.38 0.54 0.41 0.00 0.00 173.24 175.76 1ilf n ARG 83 N -1.09 0.02 0.05 12.44 1.74 -1.04 -1.37 116.66 127.42 1ilf n ARG 83 Ca -0.03 0.34 -0.11 0.00 -0.77 0.00 0.00 57.85 57.27 1ilf n ARG 83 Cb 0.62 -1.55 -0.04 0.00 -1.02 0.00 0.00 32.46 30.47 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 -0.35 0.00 5.56 5.08 -1.97 -3.28 114.58 119.63 1ilf h GLU 84 Ca 0.00 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1ilf h GLU 84 Cb 0.19 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1ilf h GLU 84 CO 0.00 -0.23 -0.48 0.66 -1.00 0.00 0.00 179.01 177.96 1ilf n TYR 85 N -5.36 0.00 -3.37 4.33 4.02 -1.19 -4.48 117.16 111.11 1ilf n TYR 85 Ca -0.05 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.73 1ilf n TYR 85 Cb 0.27 -0.02 -0.09 0.00 -0.02 0.00 0.00 39.34 39.48 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 -1.83 -0.55 0.24 -0.72 -7.23 -0.47 0.62 120.40 110.46 1ilf s VAL 86 Ca 0.02 -0.12 -0.12 0.00 -1.81 0.00 0.00 61.98 59.95 1ilf s VAL 86 Cb 0.06 -0.82 -0.08 0.00 0.56 0.00 0.00 36.38 36.10 1ilf s VAL 86 CO 0.32 -0.17 0.61 -0.62 -0.31 0.00 0.00 175.10 174.92 1ilf s ASP 87 N 2.50 6.72 -0.33 4.85 -1.08 -0.78 -2.48 116.67 126.06 1ilf s ASP 87 Ca 0.11 1.06 0.15 0.00 -0.52 0.00 0.00 52.55 53.35 1ilf s ASP 87 Cb -0.15 -2.28 0.43 0.00 -1.46 0.00 0.00 42.92 39.46 1ilf s ASP 87 CO -0.18 -0.07 1.36 0.18 0.52 0.00 0.00 175.17 176.98 1ilf n LEU 88 N -0.00 -0.66 -5.01 -1.34 4.77 -1.26 -4.51 117.00 108.98 1ilf n LEU 88 Ca 0.00 -3.27 -0.19 0.00 -0.03 0.00 0.00 56.01 52.52 1ilf n LEU 88 Cb 0.52 0.19 0.04 0.00 -2.33 0.00 0.00 43.42 41.84 1ilf n LEU 88 CO 0.44 1.60 0.29 -0.70 -1.33 0.00 0.00 177.39 177.68 1ilf s GLU 89 N -0.97 2.48 0.00 3.23 2.12 -1.26 -4.93 118.70 119.37 1ilf s GLU 89 Ca 0.17 -1.34 0.00 0.00 0.36 0.00 0.00 54.97 54.16 1ilf s GLU 89 Cb 0.41 -2.65 0.00 0.00 0.26 0.00 0.00 34.13 32.16 1ilf s GLU 89 CO -0.09 -0.66 0.24 2.89 -0.54 0.00 0.00 175.26 177.10 1ilf n ARG 90 N -2.15 0.00 -1.36 4.30 0.00 -1.26 -4.16 116.66 112.03 1ilf n ARG 90 Ca 0.12 0.00 -0.32 0.00 -0.00 0.00 0.00 57.85 57.65 1ilf n ARG 90 Cb 0.60 -1.47 0.09 0.00 -0.00 0.00 0.00 32.46 31.69 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 2.46 2.68 -0.49 2.89 -0.58 -1.26 -5.03 120.64 121.30 1ilf n GLU 91 Ca 0.00 -3.32 -0.17 0.00 -0.42 0.00 0.00 57.16 53.26 1ilf n GLU 91 Cb 0.00 -2.26 0.01 0.00 -0.57 0.00 0.00 31.44 28.62 1ilf n GLU 91 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ilf n ALA 92 N -0.94 -3.30 0.00 0.62 0.00 -1.26 -3.51 120.51 112.12 1ilf n ALA 92 Ca 0.60 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.83 1ilf n ALA 92 Cb 0.85 -0.56 0.00 0.00 0.00 0.00 0.00 19.45 19.74 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 1.43 2.85 3.33 0.00 0.00 -1.26 -4.95 105.19 106.59 1ilf n GLY 93 Ca 0.01 -0.72 -0.10 0.00 0.00 0.00 0.00 46.02 45.21 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 1.10 -0.05 1.61 3.01 -1.23 -3.74 119.74 120.43 1ilf s LYS 94 Ca 0.00 -0.95 0.06 0.00 -1.01 0.00 0.00 55.97 54.07 1ilf s LYS 94 Cb 0.00 0.42 -0.02 0.00 -1.01 0.00 0.00 37.83 37.22 1ilf s LYS 94 CO 0.00 -0.41 -0.23 0.54 0.51 0.00 0.00 175.35 175.76 1ilf s VAL 95 N -3.88 2.30 0.02 3.17 0.11 -0.84 -4.81 120.40 116.47 1ilf s VAL 95 Ca 0.09 -0.99 0.08 0.00 -2.93 0.00 0.00 61.98 58.24 1ilf s VAL 95 Cb 0.03 -1.85 -0.02 0.00 -1.53 0.00 0.00 36.38 33.00 1ilf s VAL 95 CO -0.06 0.57 -0.25 -0.72 -3.33 0.00 0.00 175.10 171.31 1ilf s TYR 96 N -0.31 2.20 0.04 1.54 -0.85 -1.26 -0.60 117.35 118.12 1ilf s TYR 96 Ca 0.01 -0.41 -0.01 0.00 -0.52 0.00 0.00 57.07 56.15 1ilf s TYR 96 Cb -0.13 -1.35 -0.04 0.00 0.38 0.00 0.00 41.96 40.83 1ilf s TYR 96 CO 0.02 0.07 -0.03 -0.48 -1.52 0.00 0.00 175.55 173.61 1ilf s LEU 97 N -1.01 2.44 -0.11 -3.49 -0.00 -0.84 -1.87 118.68 113.79 1ilf s LEU 97 Ca 0.10 -0.89 0.02 0.00 -0.00 0.00 0.00 54.13 53.36 1ilf s LEU 97 Cb -0.10 0.18 0.01 0.00 -0.00 0.00 0.00 46.19 46.28 1ilf s LEU 97 CO 0.01 -0.53 -0.18 -0.75 -0.00 0.00 0.00 176.35 174.90 1ilf s LYS 98 N -3.39 2.47 0.05 1.48 2.20 0.20 -2.07 119.74 120.68 1ilf s LYS 98 Ca 0.02 -0.66 0.09 0.00 -0.36 0.00 0.00 55.97 55.06 1ilf s LYS 98 Cb 0.04 -2.04 -0.03 0.00 -1.51 0.00 0.00 37.83 34.29 1ilf s LYS 98 CO -0.08 -0.03 -0.25 0.00 -0.36 0.00 0.00 175.35 174.63 1ilf s ALA 99 N 0.88 2.15 -0.09 3.13 0.00 -0.07 -4.33 121.76 123.42 1ilf s ALA 99 Ca -0.08 -1.23 -0.17 0.00 0.00 0.00 0.00 51.96 50.48 1ilf s ALA 99 Cb -0.15 -0.44 -0.05 0.00 0.00 0.00 0.00 23.12 22.48 1ilf s ALA 99 CO -0.01 0.50 0.46 -1.25 0.00 0.00 0.00 175.76 175.47 1ilf s PRO 100 N -1.25 4.26 0.09 0.00 0.04 -1.26 -1.81 135.00 135.08 1ilf s PRO 100 Ca 0.11 0.44 -0.09 0.00 0.04 0.00 0.00 61.00 61.51 1ilf s PRO 100 Cb -0.10 -3.39 -0.00 0.00 0.04 0.00 0.00 34.50 31.05 1ilf s PRO 100 CO 0.02 0.27 0.19 -1.64 0.04 0.00 0.00 177.00 175.89 1ilf s MET 101 N 0.25 0.87 -0.40 4.56 -1.94 -0.95 -4.80 119.30 116.89 1ilf s MET 101 Ca 0.25 -0.98 -0.08 0.00 -1.71 0.00 0.00 55.69 53.17 1ilf s MET 101 Cb -0.16 0.34 0.07 0.00 2.01 0.00 0.00 34.83 37.10 1ilf s MET 101 CO 0.11 -0.28 0.22 0.42 -0.01 0.00 0.00 175.02 175.49 1ilf s ILE 102 N -3.87 4.10 0.06 2.53 -1.09 -1.26 -1.46 121.20 120.21 1ilf s ILE 102 Ca 0.06 -1.37 0.01 0.00 -2.23 0.00 0.00 60.65 57.12 1ilf s ILE 102 Cb 0.05 -3.48 -0.04 0.00 -1.58 0.00 0.00 42.46 37.41 1ilf s ILE 102 CO -0.10 -0.45 0.17 -0.76 -1.23 0.00 0.00 174.94 172.57 1ilf s LEU 103 N 1.41 4.18 0.00 2.97 1.43 -0.45 -4.83 118.68 123.38 1ilf s LEU 103 Ca 0.02 0.18 0.00 0.00 -1.03 0.00 0.00 54.13 53.31 1ilf s LEU 103 Cb -0.22 -2.80 0.00 0.00 0.03 0.00 0.00 46.19 43.20 1ilf s LEU 103 CO 0.02 0.17 0.00 -3.20 0.23 0.00 0.00 176.35 173.57 1ilf n ASN 104 N 0.36 0.00 -4.24 2.29 2.85 -1.26 0.13 115.26 115.39 1ilf n ASN 104 Ca -0.06 0.00 -0.33 0.00 -0.11 0.00 0.00 54.58 54.08 1ilf n ASN 104 Cb 0.51 0.00 -0.07 0.00 1.24 0.00 0.00 39.78 41.46 1ilf n ASN 104 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1ilf n GLY 105 N 0.02 -0.24 3.56 8.20 0.00 -1.26 -4.88 105.19 110.59 1ilf n GLY 105 Ca 0.00 0.20 -0.15 0.00 0.00 0.00 0.00 46.02 46.07 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 -4.22 0.00 -0.27 1.61 1.01 0.35 -2.15 120.40 116.74 1ilf s VAL 106 Ca 0.07 0.00 -0.24 0.00 0.00 0.00 0.00 61.98 61.81 1ilf s VAL 106 Cb -0.04 -1.00 -0.00 0.00 0.00 0.00 0.00 36.38 35.34 1ilf s VAL 106 CO 0.98 0.00 0.81 0.00 0.00 0.00 0.00 175.10 176.89 1ilf s VAL 108 N 2.88 1.92 -0.15 0.00 -7.23 -0.53 -2.17 120.40 115.12 1ilf s VAL 108 Ca 0.34 -2.10 -0.04 0.00 -1.81 0.00 0.00 61.98 58.37 1ilf s VAL 108 Cb -0.15 -2.74 0.07 0.00 0.56 0.00 0.00 36.38 34.12 1ilf s VAL 108 CO 0.09 -0.13 0.19 -0.63 -0.31 0.00 0.00 175.10 174.31 1ilf s ILE 109 N -2.80 -0.29 -0.23 -0.62 1.01 0.20 -2.24 121.20 116.23 1ilf s ILE 109 Ca 0.33 0.10 -0.10 0.00 0.00 0.00 0.00 60.65 60.98 1ilf s ILE 109 Cb 0.06 -0.50 -0.05 0.00 0.01 0.00 0.00 42.46 41.98 1ilf s ILE 109 CO 0.16 -0.04 0.15 0.86 0.00 0.00 0.00 174.94 176.07 1ilf s TRP 110 N 2.31 3.34 0.01 3.97 -0.00 -0.75 0.26 118.94 128.08 1ilf s TRP 110 Ca 0.04 0.25 0.02 0.00 -0.00 0.00 0.00 56.10 56.41 1ilf s TRP 110 Cb -0.14 -2.24 -0.01 0.00 -0.00 0.00 0.00 33.47 31.08 1ilf s TRP 110 CO -0.09 0.12 -0.06 0.21 -0.00 0.00 0.00 176.95 177.13 1ilf s LYS 111 N 0.87 0.44 -0.17 5.86 2.36 -0.40 -0.90 119.74 127.80 1ilf s LYS 111 Ca 0.08 -0.39 -0.35 0.00 -2.55 0.00 0.00 55.97 52.76 1ilf s LYS 111 Cb -0.13 -0.33 0.14 0.00 -1.05 0.00 0.00 37.83 36.46 1ilf s LYS 111 CO 0.03 0.08 1.30 0.20 1.55 0.00 0.00 175.35 178.51 1ilf s GLY 112 N -0.66 -0.31 0.20 5.54 0.00 -0.88 -0.07 107.32 111.13 1ilf s GLY 112 Ca -0.03 1.44 0.08 0.00 0.00 0.00 0.00 44.72 46.22 1ilf s GLY 112 CO -0.00 0.44 -0.02 0.66 0.00 0.00 0.00 173.10 174.18 1ilf s TRP 113 N -2.27 2.76 -0.01 1.90 1.48 -0.72 -1.98 118.94 120.10 1ilf s TRP 113 Ca 0.12 -0.18 0.05 0.00 -1.06 0.00 0.00 56.10 55.03 1ilf s TRP 113 Cb 0.01 -1.31 -0.01 0.00 -1.16 0.00 0.00 33.47 30.99 1ilf s TRP 113 CO -0.04 0.54 -0.18 0.42 -4.06 0.00 0.00 176.95 173.63 1ilf s ILE 114 N -1.86 1.39 -0.11 0.66 -1.09 0.24 -1.62 121.20 118.81 1ilf s ILE 114 Ca 0.28 -0.75 -0.23 0.00 -2.23 0.00 0.00 60.65 57.71 1ilf s ILE 114 Cb -0.08 -1.15 -0.03 0.00 -1.58 0.00 0.00 42.46 39.61 1ilf s ILE 114 CO 0.18 0.39 0.72 1.51 -1.23 0.00 0.00 174.94 176.51 1ilf s ASP 115 N -0.41 6.94 0.00 3.58 1.47 -0.70 -1.99 116.67 125.56 1ilf s ASP 115 Ca 0.07 1.13 0.00 0.00 1.18 0.00 0.00 52.55 54.93 1ilf s ASP 115 Cb -0.07 -2.41 0.00 0.00 -0.34 0.00 0.00 42.92 40.10 1ilf s ASP 115 CO -0.01 -0.19 0.81 0.18 0.68 0.00 0.00 175.17 176.64 1ilf n LEU 116 N 4.25 0.21 0.04 2.11 4.77 -1.25 -1.26 117.00 125.87 1ilf n LEU 116 Ca -0.00 -0.10 -0.00 0.00 -0.03 0.00 0.00 56.01 55.87 1ilf n LEU 116 Cb 0.51 -0.10 -0.00 0.00 -2.33 0.00 0.00 43.42 41.49 1ilf n LEU 116 CO 0.47 0.05 -0.11 0.00 -1.33 0.00 0.00 177.39 176.47 1ilf n HIS 117 N -0.38 0.00 0.46 -1.77 1.44 -1.26 -4.77 115.22 108.94 1ilf n HIS 117 Ca 0.00 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.83 1ilf n HIS 117 Cb 0.05 -0.02 0.22 0.00 0.12 0.00 0.00 29.99 30.36 1ilf n HIS 117 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1ilf h ARG 118 N -0.03 0.00 -1.08 -1.40 3.08 -1.99 -3.48 114.38 109.48 1ilf h ARG 118 Ca -0.00 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.82 1ilf h ARG 118 Cb 0.20 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.20 1ilf h ARG 118 CO -0.00 0.00 -0.25 1.28 -1.07 0.00 0.00 179.97 179.93 1ilf n LEU 119 N -2.42 -1.17 -4.20 3.04 4.77 -0.39 -5.00 117.00 111.63 1ilf n LEU 119 Ca 0.04 0.13 -0.23 0.00 -0.03 0.00 0.00 56.01 55.91 1ilf n LEU 119 Cb 0.47 -1.79 -0.14 0.00 -2.33 0.00 0.00 43.42 39.63 1ilf n LEU 119 CO 0.35 -0.34 -0.50 -1.81 -1.33 0.00 0.00 177.39 173.75 1ilf s ASP 120 N -2.68 2.14 0.00 -1.43 1.01 -1.25 -2.25 116.67 112.20 1ilf s ASP 120 Ca 0.00 -0.48 0.00 0.00 0.71 0.00 0.00 52.55 52.78 1ilf s ASP 120 Cb 0.00 -0.17 0.00 0.00 1.01 0.00 0.00 42.92 43.76 1ilf s ASP 120 CO 0.00 0.12 0.00 0.61 0.21 0.00 0.00 175.17 176.11 1ilf n GLY 121 N 1.95 4.61 2.72 0.21 0.00 0.15 -1.72 105.19 113.10 1ilf n GLY 121 Ca -0.17 -1.21 -0.20 0.00 0.00 0.00 0.00 46.02 44.44 1ilf n GLY 121 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1ilf s MET 122 N 1.10 0.12 0.00 1.61 1.75 -0.64 0.24 119.30 123.48 1ilf s MET 122 Ca 0.00 0.27 0.00 0.00 -1.25 0.00 0.00 55.69 54.71 1ilf s MET 122 Cb 0.00 -0.59 0.00 0.00 2.84 0.00 0.00 34.83 37.08 1ilf s MET 122 CO 0.00 -0.29 0.00 0.41 -0.65 0.00 0.00 175.02 174.49 1ilf n GLY 123 N 5.04 3.89 3.64 2.11 0.00 -0.44 -1.75 105.19 117.68 1ilf n GLY 123 Ca -0.09 -2.19 -0.03 0.00 0.00 0.00 0.00 46.02 43.71 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 -0.41 3.78 0.08 0.00 1.43 -0.85 -1.28 118.68 121.43 1ilf s LEU 125 Ca 0.07 0.43 -0.14 0.00 -1.03 0.00 0.00 54.13 53.46 1ilf s LEU 125 Cb -0.03 -3.31 0.02 0.00 0.03 0.00 0.00 46.19 42.90 1ilf s LEU 125 CO -0.11 -0.54 0.32 -0.70 0.23 0.00 0.00 176.35 175.55 1ilf s GLU 126 N -4.49 0.90 -0.09 1.70 -6.30 0.14 -4.26 118.70 106.29 1ilf s GLU 126 Ca 0.45 -0.64 -0.00 0.00 -2.50 0.00 0.00 54.97 52.28 1ilf s GLU 126 Cb -0.10 0.39 -0.03 0.00 0.00 0.00 0.00 34.13 34.39 1ilf s GLU 126 CO 0.38 -0.31 -0.07 0.12 0.02 0.00 0.00 175.26 175.40 1ilf s PHE 127 N -3.17 2.93 -0.52 5.30 2.19 -1.26 0.63 117.98 124.07 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 -1.77 0.05 0.00 -1.31 0.00 0.00 43.02 40.00 1ilf s PHE 127 CO -0.07 0.19 0.81 0.34 1.83 0.00 0.00 175.22 178.32 1ilf s ASP 128 N -0.44 6.30 0.18 6.13 -1.08 -0.92 -4.88 116.67 121.96 1ilf s ASP 128 Ca 0.06 -0.52 0.09 0.00 -0.52 0.00 0.00 52.55 51.66 1ilf s ASP 128 Cb -0.12 -2.38 -0.02 0.00 -1.46 0.00 0.00 42.92 38.94 1ilf s ASP 128 CO 0.02 -1.08 1.39 -0.33 0.52 0.00 0.00 175.17 175.69 1ilf h GLU 129 N 9.17 0.00 0.57 4.34 5.08 -1.97 -1.84 114.58 129.92 1ilf h GLU 129 Ca -0.26 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.07 1ilf h GLU 129 Cb 1.08 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.34 1ilf h GLU 129 CO 1.03 0.83 -0.27 0.93 -1.00 0.00 0.00 179.01 180.53 1ilf h GLU 130 N 0.00 -0.73 -0.36 2.33 4.39 -2.01 -2.87 114.58 115.33 1ilf h GLU 130 Ca -0.01 0.05 -0.05 0.00 0.34 0.00 0.00 59.36 59.69 1ilf h GLU 130 Cb 1.55 0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 30.35 1ilf h GLU 130 CO 0.11 -0.49 0.01 -0.09 -1.16 0.00 0.00 179.01 177.39 1ilf h ARG 131 N -1.11 0.55 -0.15 2.33 2.43 -1.99 -2.04 114.38 114.40 1ilf h ARG 131 Ca -0.08 -0.12 0.04 0.00 -0.81 0.00 0.00 59.98 59.02 1ilf h ARG 131 Cb 0.58 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.05 1ilf h ARG 131 CO 0.13 0.57 0.16 0.00 -1.51 0.00 0.00 179.97 179.32 1ilf h ALA 132 N 1.49 1.79 0.04 2.80 0.00 -1.36 -0.39 119.26 123.63 1ilf h ALA 132 Ca 0.11 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.79 1ilf h ALA 132 Cb 0.33 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1ilf h ALA 132 CO 0.01 -0.24 -1.04 1.96 0.00 0.00 0.00 179.25 179.94 1ilf h GLN 133 N 0.00 0.14 0.23 0.00 1.08 -1.13 -3.01 115.11 112.42 1ilf h GLN 133 Ca 0.07 -0.20 -0.32 0.00 -1.45 0.00 0.00 58.65 56.75 1ilf h GLN 133 Cb 0.40 0.07 0.04 0.00 -0.05 0.00 0.00 27.48 27.94 1ilf h GLN 133 CO -0.00 1.05 -1.39 -0.56 -0.95 0.00 0.00 178.83 176.98 1ilf h GLN 134 N 0.05 0.54 0.00 1.46 3.07 -1.15 -0.11 115.11 118.97 1ilf h GLN 134 Ca -0.06 -0.89 -0.01 0.00 0.09 0.00 0.00 58.65 57.78 1ilf h GLN 134 Cb 1.76 0.32 -0.00 0.00 0.08 0.00 0.00 27.48 29.64 1ilf h GLN 134 CO 0.15 1.42 -0.07 1.05 0.09 0.00 0.00 178.83 181.48 1ilf h GLU 135 N 0.12 0.00 0.08 0.06 4.11 -1.32 0.69 114.58 118.33 1ilf h GLU 135 Ca -0.24 0.00 -0.29 0.00 0.07 0.00 0.00 59.36 58.90 1ilf h GLU 135 Cb 2.09 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.32 1ilf h GLU 135 CO 0.26 0.07 -1.51 0.22 0.07 0.00 0.00 179.01 178.12 1ilf h ASP 136 N 0.00 0.27 -0.11 3.06 1.82 -1.48 -2.12 116.42 117.87 1ilf h ASP 136 Ca -0.00 -0.39 -0.10 0.00 -0.39 0.00 0.00 57.03 56.15 1ilf h ASP 136 Cb 0.19 -0.09 0.00 0.00 0.68 0.00 0.00 39.33 40.12 1ilf h ASP 136 CO 0.01 1.33 -0.32 0.00 -1.61 0.00 0.00 179.24 178.64 1ilf h ALA 137 N 0.63 0.18 -0.27 -0.78 0.00 0.65 0.31 119.26 119.98 1ilf h ALA 137 Ca -0.23 -0.43 -0.18 0.00 0.00 0.00 0.00 54.91 54.07 1ilf h ALA 137 Cb 1.98 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.75 1ilf h ALA 137 CO 0.14 0.23 -0.53 -0.07 0.00 0.00 0.00 179.25 179.02 1ilf h LEU 138 N -0.03 0.92 -1.16 0.00 3.38 0.17 -2.86 115.31 115.74 1ilf h LEU 138 Ca -0.01 -0.54 -0.02 0.00 0.09 0.00 0.00 57.88 57.40 1ilf h LEU 138 Cb 0.95 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.43 1ilf h LEU 138 CO 0.07 1.29 -0.10 0.00 0.09 0.00 0.00 178.44 179.79 1ilf h ALA 139 N 0.66 1.00 -3.25 1.53 0.00 -1.44 -3.39 119.26 114.37 1ilf h ALA 139 Ca 0.01 -0.09 -0.58 0.00 0.00 0.00 0.00 54.91 54.25 1ilf h ALA 139 Cb 1.14 -0.02 -0.40 0.00 0.00 0.00 0.00 17.79 18.51 1ilf h ALA 139 CO 0.12 0.13 -0.76 -0.65 0.00 0.00 0.00 179.25 178.08 1ilf s GLN 140 N -3.61 0.83 0.00 0.00 -1.52 0.10 -5.04 119.66 110.42 1ilf s GLN 140 Ca 0.01 -0.96 0.01 0.00 -1.95 0.00 0.00 55.36 52.47 1ilf s GLN 140 Cb 0.09 -2.13 0.00 0.00 -0.22 0.00 0.00 33.01 30.76 1ilf s GLN 140 CO 0.60 -0.87 0.52 1.04 -0.25 0.00 0.00 175.29 176.32