#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 -2.22 -0.01 0.03 -0.02 -1.26 -4.95 135.00 126.58 1ilf n PRO 2 Ca 0.00 -0.64 0.10 0.00 -2.02 0.00 0.00 63.50 60.94 1ilf n PRO 2 Cb 0.00 -1.74 -0.14 0.00 -0.02 0.00 0.00 33.50 31.60 1ilf n PRO 2 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 1ilf n ARG 3 N -2.80 0.49 -2.28 -0.52 0.00 -1.26 -4.96 116.66 105.34 1ilf n ARG 3 Ca 0.03 -0.10 -0.41 0.00 -0.00 0.00 0.00 57.85 57.37 1ilf n ARG 3 Cb 0.56 -1.47 -0.03 0.00 -0.00 0.00 0.00 32.46 31.52 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 -3.19 3.25 0.19 8.89 -7.23 -1.26 -4.09 120.40 116.96 1ilf s VAL 4 Ca -0.00 1.11 -0.05 0.00 -1.81 0.00 0.00 61.98 61.22 1ilf s VAL 4 Cb 0.14 -3.71 -0.06 0.00 0.56 0.00 0.00 36.38 33.32 1ilf s VAL 4 CO 0.85 0.20 0.44 0.68 -0.31 0.00 0.00 175.10 176.96 1ilf s VAL 5 N -0.34 5.10 0.30 1.32 -7.23 -1.17 -4.95 120.40 113.42 1ilf s VAL 5 Ca 0.52 0.09 0.22 0.00 -1.81 0.00 0.00 61.98 61.00 1ilf s VAL 5 Cb -0.35 -3.65 0.34 0.00 0.56 0.00 0.00 36.38 33.28 1ilf s VAL 5 CO 0.41 -0.05 1.05 -2.65 -0.31 0.00 0.00 175.10 173.54 1ilf n PRO 6 N -0.17 -0.02 -3.57 4.82 -0.02 -1.26 -2.37 135.00 132.40 1ilf n PRO 6 Ca -0.02 0.84 -0.29 0.00 -2.02 0.00 0.00 63.50 62.01 1ilf n PRO 6 Cb 0.52 -1.66 -0.13 0.00 -0.02 0.00 0.00 33.50 32.21 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 -4.38 3.33 0.18 2.55 1.01 -1.26 -4.98 116.67 113.12 1ilf s ASP 7 Ca -0.05 -2.20 -0.12 0.00 0.71 0.00 0.00 52.55 50.88 1ilf s ASP 7 Cb 0.21 -0.64 0.10 0.00 1.01 0.00 0.00 42.92 43.60 1ilf s ASP 7 CO 0.55 -0.32 1.82 1.56 0.21 0.00 0.00 175.17 178.99 1ilf h GLN 8 N 7.13 0.85 0.00 8.23 4.20 -1.78 -0.23 115.11 133.51 1ilf h GLN 8 Ca -0.00 -0.08 -0.03 0.00 0.06 0.00 0.00 58.65 58.60 1ilf h GLN 8 Cb 0.96 -0.18 -0.00 0.00 0.30 0.00 0.00 27.48 28.56 1ilf h GLN 8 CO 0.37 0.61 -0.15 0.07 -0.67 0.00 0.00 178.83 179.06 1ilf h ARG 9 N 0.84 0.00 -0.34 1.46 0.11 -1.93 -1.69 114.38 112.83 1ilf h ARG 9 Ca 0.22 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 60.26 1ilf h ARG 9 Cb -0.01 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.05 1ilf h ARG 9 CO -0.04 0.15 0.02 0.77 0.10 0.00 0.00 179.97 180.97 1ilf h SER 10 N 0.00 0.48 0.12 0.08 0.02 -1.44 0.53 113.55 113.34 1ilf h SER 10 Ca -0.00 -0.08 -0.25 0.00 -0.84 0.00 0.00 61.79 60.61 1ilf h SER 10 Cb 0.45 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.87 1ilf h SER 10 CO 0.02 0.54 -1.27 0.11 -1.14 0.00 0.00 176.83 175.09 1ilf h LYS 11 N 0.50 0.26 0.00 3.45 1.79 -1.19 0.28 116.57 121.65 1ilf h LYS 11 Ca 0.11 -0.44 -0.01 0.00 -2.18 0.00 0.00 60.65 58.13 1ilf h LYS 11 Cb 0.30 0.16 -0.00 0.00 -1.58 0.00 0.00 32.23 31.11 1ilf h LYS 11 CO 0.01 1.21 -0.03 0.35 -1.08 0.00 0.00 179.45 179.91 1ilf h PHE 12 N -0.32 0.00 0.00 -1.35 3.04 -1.23 0.49 116.94 117.57 1ilf h PHE 12 Ca -0.26 0.00 -0.33 0.00 3.98 0.00 0.00 57.97 61.36 1ilf h PHE 12 Cb 1.73 0.00 -0.06 0.00 2.56 0.00 0.00 35.95 40.18 1ilf h PHE 12 CO 0.14 0.03 -2.34 -0.85 -2.02 0.00 0.00 178.31 173.28 1ilf n GLU 13 N -3.20 0.69 -0.01 1.11 -0.00 0.18 -4.16 120.64 115.25 1ilf n GLU 13 Ca -0.01 -0.02 0.09 0.00 -0.00 0.00 0.00 57.16 57.22 1ilf n GLU 13 Cb 0.23 -1.52 -0.13 0.00 -0.00 0.00 0.00 31.44 30.02 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 -2.70 0.81 -4.72 -1.84 5.15 0.97 -4.91 115.26 108.02 1ilf n ASN 14 Ca -0.30 -0.30 -0.41 0.00 -0.60 0.00 0.00 54.58 52.97 1ilf n ASN 14 Cb 1.10 1.57 -0.04 0.00 -0.53 0.00 0.00 39.78 41.87 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 -3.08 4.60 0.00 1.20 2.02 0.17 -4.96 118.70 118.65 1ilf s GLU 15 Ca -0.02 1.39 0.00 0.00 0.02 0.00 0.00 54.97 56.36 1ilf s GLU 15 Cb 0.12 -3.43 0.00 0.00 0.10 0.00 0.00 34.13 30.93 1ilf s GLU 15 CO 0.75 0.06 0.68 -0.85 0.02 0.00 0.00 175.26 175.93 1ilf n GLU 16 N 3.45 0.00 -0.31 1.61 0.28 -1.26 0.16 120.64 124.57 1ilf n GLU 16 Ca 0.04 0.28 0.11 0.00 -0.16 0.00 0.00 57.16 57.43 1ilf n GLU 16 Cb 0.50 -1.18 0.28 0.00 1.43 0.00 0.00 31.44 32.48 1ilf n GLU 16 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 177.13 177.32 1ilf h PHE 17 N 0.00 0.79 0.00 -1.84 3.04 -1.97 1.33 116.94 118.29 1ilf h PHE 17 Ca 0.00 0.04 -0.02 0.00 3.98 0.00 0.00 57.97 61.96 1ilf h PHE 17 Cb 0.00 -0.21 -0.00 0.00 2.56 0.00 0.00 35.95 38.30 1ilf h PHE 17 CO 0.00 0.09 -0.12 0.35 -2.02 0.00 0.00 178.31 176.62 1ilf h PHE 18 N 0.56 0.00 0.00 0.41 3.04 -1.87 0.16 116.94 119.24 1ilf h PHE 18 Ca 0.53 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.48 1ilf h PHE 18 Cb 0.89 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.40 1ilf h PHE 18 CO -0.09 0.12 -0.09 0.00 -2.02 0.00 0.00 178.31 176.23 1ilf h ARG 19 N 0.00 0.00 -1.03 1.11 3.08 1.09 0.47 114.38 119.10 1ilf h ARG 19 Ca -0.00 0.00 0.30 0.00 0.07 0.00 0.00 59.98 60.35 1ilf h ARG 19 Cb 0.22 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.22 1ilf h ARG 19 CO 0.02 0.00 0.77 1.57 -1.07 0.00 0.00 179.97 181.25 1ilf h LYS 20 N -0.71 0.00 0.11 0.04 2.10 0.02 0.65 116.57 118.78 1ilf h LYS 20 Ca 0.00 0.00 -0.34 0.00 -2.00 0.00 0.00 60.65 58.31 1ilf h LYS 20 Cb 0.09 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.40 1ilf h LYS 20 CO 0.00 0.00 -1.86 -0.07 -2.00 0.00 0.00 179.45 175.52 1ilf h LEU 21 N 0.00 0.36 -1.12 7.07 3.38 -0.79 -3.30 115.31 120.92 1ilf h LEU 21 Ca 0.49 -0.73 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1ilf h LEU 21 Cb 2.02 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 42.65 1ilf h LEU 21 CO -0.01 1.65 0.21 -1.28 0.09 0.00 0.00 178.44 179.10 1ilf h SER 22 N 0.06 0.00 -3.12 -0.43 0.87 0.52 -2.36 113.55 109.10 1ilf h SER 22 Ca -0.37 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.19 1ilf h SER 22 Cb 2.04 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 64.00 1ilf h SER 22 CO 0.11 0.00 0.00 0.54 -0.53 0.00 0.00 176.83 176.95 1ilf n ARG 23 N -2.16 1.64 -3.78 2.24 5.12 -0.41 -3.71 116.66 115.60 1ilf n ARG 23 Ca -0.01 0.00 -0.36 0.00 -1.93 0.00 0.00 57.85 55.55 1ilf n ARG 23 Cb 0.23 0.00 -0.12 0.00 -1.16 0.00 0.00 32.46 31.41 1ilf n ARG 23 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1ilf s GLU 24 N -0.28 3.74 0.04 5.56 2.02 -1.26 -2.04 118.70 126.48 1ilf s GLU 24 Ca 0.00 -0.44 -0.14 0.00 0.02 0.00 0.00 54.97 54.41 1ilf s GLU 24 Cb 0.00 -3.35 0.02 0.00 0.10 0.00 0.00 34.13 30.90 1ilf s GLU 24 CO 0.00 -0.12 0.32 0.00 0.02 0.00 0.00 175.26 175.48 1ilf n GLU 26 N 0.62 0.61 -4.33 0.00 2.13 -1.26 -1.41 120.64 117.01 1ilf n GLU 26 Ca -0.19 0.21 -0.17 0.00 0.66 0.00 0.00 57.16 57.68 1ilf n GLU 26 Cb 0.59 -1.42 -0.10 0.00 0.27 0.00 0.00 31.44 30.78 1ilf n GLU 26 CO 0.00 0.00 0.00 0.96 -0.41 0.00 0.00 177.13 177.68 1ilf s ILE 27 N -0.90 1.10 -0.02 6.31 -4.36 -0.82 -1.48 121.20 121.03 1ilf s ILE 27 Ca 0.64 -2.04 -0.20 0.00 -0.26 0.00 0.00 60.65 58.78 1ilf s ILE 27 Cb -0.85 -2.29 0.04 0.00 1.25 0.00 0.00 42.46 40.61 1ilf s ILE 27 CO 0.57 -0.37 0.44 -0.75 0.24 0.00 0.00 174.94 175.07 1ilf s LYS 28 N -3.84 0.82 -0.05 0.37 2.20 -0.28 -1.68 119.74 117.28 1ilf s LYS 28 Ca 0.27 -0.06 -0.28 0.00 -0.36 0.00 0.00 55.97 55.53 1ilf s LYS 28 Cb 0.05 0.37 -0.03 0.00 -1.51 0.00 0.00 37.83 36.72 1ilf s LYS 28 CO 0.08 -0.24 0.92 -0.47 -0.36 0.00 0.00 175.35 175.28 1ilf s TYR 29 N -1.40 3.60 0.00 4.03 5.04 -0.75 0.53 117.35 128.40 1ilf s TYR 29 Ca -0.12 1.56 0.03 0.00 -2.44 0.00 0.00 57.07 56.10 1ilf s TYR 29 Cb -0.03 -3.07 0.05 0.00 0.35 0.00 0.00 41.96 39.26 1ilf s TYR 29 CO 0.05 -0.05 0.90 0.25 -1.34 0.00 0.00 175.55 175.36 1ilf n THR 30 N 4.08 0.00 0.00 4.34 -2.24 -1.26 -4.86 114.28 114.34 1ilf n THR 30 Ca 0.05 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 1ilf n THR 30 Cb 0.50 0.43 0.00 0.00 -2.10 0.00 0.00 70.33 69.17 1ilf n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ilf n GLY 31 N 0.06 -0.84 0.08 3.38 0.00 -1.23 -4.63 105.19 102.00 1ilf n GLY 31 Ca -0.16 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.90 1ilf n GLY 31 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1ilf n PHE 32 N -1.82 0.00 0.96 1.61 1.16 -1.26 -4.67 117.46 113.44 1ilf n PHE 32 Ca 0.00 -0.58 0.12 0.00 -1.87 0.00 0.00 57.45 55.13 1ilf n PHE 32 Cb 0.00 -0.08 0.29 0.00 -1.61 0.00 0.00 39.48 38.08 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 -0.75 0.03 0.00 3.97 -4.01 -1.26 -4.12 116.66 110.52 1ilf n ARG 33 Ca 0.06 0.01 0.00 0.00 -1.04 0.00 0.00 57.85 56.88 1ilf n ARG 33 Cb 0.48 -1.52 0.00 0.00 -3.04 0.00 0.00 32.46 28.38 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 -1.56 0.00 0.06 2.89 8.00 -1.26 -2.45 116.55 122.22 1ilf n ASP 34 Ca 0.05 0.28 0.00 0.00 0.71 0.00 0.00 54.79 55.83 1ilf n ASP 34 Cb 0.35 -0.28 0.00 0.00 -0.02 0.00 0.00 41.12 41.17 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 -1.27 0.00 -2.54 -1.24 3.00 -1.26 -4.93 116.66 108.42 1ilf n ARG 35 Ca 0.00 0.00 -0.38 0.00 -0.01 0.00 0.00 57.85 57.46 1ilf n ARG 35 Cb 0.21 -0.18 0.01 0.00 0.00 0.00 0.00 32.46 32.51 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 -3.11 4.55 -0.02 5.56 -0.04 -1.22 -4.85 135.00 135.86 1ilf n PRO 36 Ca 0.00 -4.48 -0.11 0.00 -0.04 0.00 0.00 63.50 58.87 1ilf n PRO 36 Cb 0.00 -2.39 -0.05 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 3.74 -1.08 -0.71 0.54 2.76 -1.77 0.69 115.15 119.31 1ilf h HIS 37 Ca 0.48 0.05 0.20 0.00 -2.20 0.00 0.00 60.37 58.90 1ilf h HIS 37 Cb 0.32 0.50 -0.03 0.00 1.55 0.00 0.00 27.41 29.75 1ilf h HIS 37 CO 1.22 -0.44 0.71 1.05 -1.30 0.00 0.00 177.93 179.16 1ilf h GLU 38 N -0.43 0.00 0.19 5.26 4.11 -1.89 1.03 114.58 122.85 1ilf h GLU 38 Ca 0.10 0.00 -0.34 0.00 0.07 0.00 0.00 59.36 59.19 1ilf h GLU 38 Cb 0.59 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.85 1ilf h GLU 38 CO -0.41 0.00 -1.67 1.49 0.07 0.00 0.00 179.01 178.48 1ilf h GLU 39 N 0.00 0.39 -1.00 1.06 4.81 -0.83 -3.25 114.58 115.76 1ilf h GLU 39 Ca 0.34 -0.67 0.29 0.00 -0.13 0.00 0.00 59.36 59.18 1ilf h GLU 39 Cb 1.74 0.25 -0.04 0.00 0.63 0.00 0.00 28.75 31.34 1ilf h GLU 39 CO -0.00 1.32 0.82 -0.09 -0.73 0.00 0.00 179.01 180.33 1ilf h ARG 40 N 0.05 0.00 -0.67 1.92 1.12 0.67 0.54 114.38 118.02 1ilf h ARG 40 Ca -0.33 0.00 0.13 0.00 -1.11 0.00 0.00 59.98 58.67 1ilf h ARG 40 Cb 2.06 0.00 -0.09 0.00 -0.01 0.00 0.00 29.97 31.93 1ilf h ARG 40 CO 0.17 0.00 0.18 -0.56 -3.11 0.00 0.00 179.97 176.65 1ilf h GLN 41 N 0.00 0.30 0.00 0.20 3.07 -1.30 1.48 115.11 118.86 1ilf h GLN 41 Ca 0.47 -0.02 -0.18 0.00 0.09 0.00 0.00 58.65 59.01 1ilf h GLN 41 Cb 2.11 -0.07 -0.03 0.00 0.08 0.00 0.00 27.48 29.57 1ilf h GLN 41 CO -0.00 0.20 -1.13 1.15 0.09 0.00 0.00 178.83 179.13 1ilf h THR 42 N 0.31 0.93 -0.41 1.86 2.02 -0.21 -2.34 112.91 115.06 1ilf h THR 42 Ca 0.36 -2.50 -0.12 0.00 0.77 0.00 0.00 66.41 64.92 1ilf h THR 42 Cb 0.55 2.39 -0.01 0.00 -1.74 0.00 0.00 68.15 69.33 1ilf h THR 42 CO -0.42 0.53 -0.21 0.03 0.37 0.00 0.00 175.52 175.81 1ilf h ARG 43 N 0.00 0.82 0.02 6.66 2.47 0.59 0.40 114.38 125.34 1ilf h ARG 43 Ca -0.11 -0.33 -0.05 0.00 -1.26 0.00 0.00 59.98 58.23 1ilf h ARG 43 Cb 1.65 -0.04 0.00 0.00 -1.65 0.00 0.00 29.97 29.94 1ilf h ARG 43 CO 0.08 0.95 -0.21 0.35 0.56 0.00 0.00 179.97 181.70 1ilf h PHE 44 N 0.71 0.18 0.00 3.04 3.57 0.19 0.30 116.94 124.93 1ilf h PHE 44 Ca 0.10 -0.11 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 1ilf h PHE 44 Cb 0.73 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.45 1ilf h PHE 44 CO 0.04 0.97 -0.04 1.96 -2.23 0.00 0.00 178.31 179.01 1ilf h GLN 45 N -0.65 0.00 0.00 1.11 4.20 -1.40 0.14 115.11 118.51 1ilf h GLN 45 Ca -0.03 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.52 1ilf h GLN 45 Cb 1.04 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.80 1ilf h GLN 45 CO 0.04 0.04 -1.05 -0.97 -0.67 0.00 0.00 178.83 176.22 1ilf h ASN 46 N 0.00 0.00 0.34 1.46 -0.73 -0.19 -3.22 115.58 113.23 1ilf h ASN 46 Ca -0.00 0.00 -0.13 0.00 1.87 0.00 0.00 56.30 58.04 1ilf h ASN 46 Cb 0.08 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.66 1ilf h ASN 46 CO 0.01 0.64 -0.52 0.00 -0.37 0.00 0.00 177.43 177.18 1ilf h ALA 47 N 1.36 0.98 0.00 1.57 0.00 0.13 -1.43 119.26 121.86 1ilf h ALA 47 Ca -0.09 -0.49 -0.00 0.00 0.00 0.00 0.00 54.91 54.32 1ilf h ALA 47 Cb 1.57 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.28 1ilf h ALA 47 CO 0.07 0.67 -0.02 0.00 0.00 0.00 0.00 179.25 179.97 1ilf h ARG 49 N 0.00 0.00 -0.46 0.00 2.43 -1.32 -3.18 114.38 111.85 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 0.33 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 1ilf h ARG 49 CO 0.00 0.46 0.00 -0.25 -1.51 0.00 0.00 179.97 178.67 1ilf n ASP 50 N -3.18 3.56 -3.12 -3.80 8.00 -0.12 -4.19 116.55 113.70 1ilf n ASP 50 Ca 0.01 -1.99 -0.23 0.00 0.71 0.00 0.00 54.79 53.29 1ilf n ASP 50 Cb 0.74 -0.30 0.04 0.00 -0.02 0.00 0.00 41.12 41.57 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 1.50 -0.52 3.25 0.44 0.00 -0.19 -4.91 105.19 104.75 1ilf n GLY 51 Ca 0.20 0.15 -0.10 0.00 0.00 0.00 0.00 46.02 46.26 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 -5.81 0.37 0.16 1.61 0.52 -0.54 0.58 118.95 115.84 1ilf s ARG 52 Ca 0.35 0.80 -0.05 0.00 -0.52 0.00 0.00 55.73 56.30 1ilf s ARG 52 Cb -0.16 0.00 -0.02 0.00 0.52 0.00 0.00 34.95 35.29 1ilf s ARG 52 CO 0.43 -0.17 0.20 -1.54 0.02 0.00 0.00 175.30 174.24 1ilf s SER 53 N 1.53 0.14 -0.33 0.23 1.04 -0.16 -4.29 113.70 111.85 1ilf s SER 53 Ca -0.09 -1.05 0.01 0.00 0.48 0.00 0.00 55.95 55.30 1ilf s SER 53 Cb -0.09 0.39 0.10 0.00 0.10 0.00 0.00 66.02 66.52 1ilf s SER 53 CO -0.12 -0.85 0.09 -0.70 0.98 0.00 0.00 173.24 172.64 1ilf s GLU 54 N -4.02 1.05 -0.07 4.02 2.12 -1.26 -1.22 118.70 119.32 1ilf s GLU 54 Ca 0.22 -1.45 0.01 0.00 0.36 0.00 0.00 54.97 54.11 1ilf s GLU 54 Cb 0.05 -2.49 -0.03 0.00 0.26 0.00 0.00 34.13 31.92 1ilf s GLU 54 CO 0.03 -0.98 -0.08 0.42 -0.54 0.00 0.00 175.26 174.11 1ilf s ILE 55 N 1.25 3.61 0.32 -3.70 -1.09 0.15 -3.54 121.20 118.20 1ilf s ILE 55 Ca 0.11 -0.51 -0.08 0.00 -2.23 0.00 0.00 60.65 57.94 1ilf s ILE 55 Cb -0.18 -2.48 -0.06 0.00 -1.58 0.00 0.00 42.46 38.16 1ilf s ILE 55 CO -0.17 0.59 0.63 0.00 -1.23 0.00 0.00 174.94 174.76 1ilf s ALA 56 N -0.70 3.51 -0.19 9.38 0.00 0.19 -0.84 121.76 133.11 1ilf s ALA 56 Ca 0.11 -0.39 -0.03 0.00 0.00 0.00 0.00 51.96 51.65 1ilf s ALA 56 Cb -0.11 -2.47 -0.01 0.00 0.00 0.00 0.00 23.12 20.53 1ilf s ALA 56 CO 0.01 0.19 -0.07 0.12 0.00 0.00 0.00 175.76 176.01 1ilf s PHE 57 N -2.15 2.92 0.19 0.00 2.19 0.86 -1.13 117.98 120.86 1ilf s PHE 57 Ca 0.47 -0.82 0.06 0.00 0.33 0.00 0.00 56.93 56.97 1ilf s PHE 57 Cb -0.11 -2.02 0.09 0.00 -1.31 0.00 0.00 43.02 39.68 1ilf s PHE 57 CO 0.29 -0.42 1.45 0.28 1.83 0.00 0.00 175.22 178.65 1ilf h VAL 58 N 5.58 1.51 -0.85 3.12 2.07 -1.57 0.68 116.25 126.79 1ilf h VAL 58 Ca -0.37 -2.57 0.21 0.00 0.82 0.00 0.00 66.70 64.80 1ilf h VAL 58 Cb 1.18 2.40 -0.15 0.00 -1.52 0.00 0.00 31.29 33.19 1ilf h VAL 58 CO 0.60 0.74 0.02 0.00 0.02 0.00 0.00 177.57 178.95 1ilf h ALA 59 N 1.12 0.94 0.00 1.67 0.00 -1.85 -3.17 119.26 117.97 1ilf h ALA 59 Ca -0.02 0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1ilf h ALA 59 Cb 1.40 0.48 0.00 0.00 0.00 0.00 0.00 17.79 19.66 1ilf h ALA 59 CO 0.11 -0.47 -0.31 0.25 0.00 0.00 0.00 179.25 178.84 1ilf n THR 60 N -5.39 0.00 -3.20 0.00 -2.24 -1.24 -5.01 114.28 97.20 1ilf n THR 60 Ca 0.17 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.72 1ilf n THR 60 Cb 0.58 0.69 0.04 0.00 -2.10 0.00 0.00 70.33 69.54 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 -0.53 3.77 3.38 0.00 0.23 -4.97 105.19 107.07 1ilf n GLY 61 Ca 0.00 0.16 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.21 5.27 0.17 2.61 -1.32 -0.84 -4.80 115.64 113.51 1ilf s THR 62 Ca 0.39 0.59 -0.30 0.00 -1.21 0.00 0.00 61.69 61.15 1ilf s THR 62 Cb -0.17 -3.63 -0.07 0.00 -1.51 0.00 0.00 72.50 67.11 1ilf s THR 62 CO 0.48 0.45 0.96 0.21 -2.21 0.00 0.00 174.62 174.50 1ilf s ASN 63 N 0.01 7.55 -0.06 8.08 2.47 -1.26 -0.10 114.94 131.63 1ilf s ASN 63 Ca 0.18 1.87 -0.01 0.00 0.42 0.00 0.00 52.86 55.32 1ilf s ASN 63 Cb -0.14 -2.60 0.03 0.00 -1.45 0.00 0.00 41.25 37.09 1ilf s ASN 63 CO 0.06 0.02 0.00 -0.76 -3.72 0.00 0.00 177.10 172.71 1ilf s LEU 64 N -0.51 0.67 -0.37 3.21 1.43 -0.02 -4.94 118.68 118.16 1ilf s LEU 64 Ca 0.45 -0.07 -0.02 0.00 -1.03 0.00 0.00 54.13 53.46 1ilf s LEU 64 Cb -0.25 -0.39 0.09 0.00 0.03 0.00 0.00 46.19 45.67 1ilf s LEU 64 CO 0.31 -0.18 0.13 -0.44 0.23 0.00 0.00 176.35 176.41 1ilf s SER 65 N 1.79 5.12 0.13 2.29 0.01 -1.26 0.32 113.70 122.11 1ilf s SER 65 Ca 0.02 -1.82 0.09 0.00 1.31 0.00 0.00 55.95 55.55 1ilf s SER 65 Cb -0.13 -1.78 -0.04 0.00 0.21 0.00 0.00 66.02 64.28 1ilf s SER 65 CO -0.04 -0.45 -0.16 -1.48 0.41 0.00 0.00 173.24 171.52 1ilf s LEU 66 N 1.16 2.75 -0.31 2.44 -0.00 -0.35 -4.98 118.68 119.38 1ilf s LEU 66 Ca 0.05 -0.58 -0.02 0.00 -0.00 0.00 0.00 54.13 53.58 1ilf s LEU 66 Cb -0.22 -1.55 0.06 0.00 -0.00 0.00 0.00 46.19 44.48 1ilf s LEU 66 CO -0.04 0.16 0.03 -1.10 -0.00 0.00 0.00 176.35 175.40 1ilf s GLN 67 N -2.32 2.37 -0.24 1.48 1.11 -1.26 -0.99 119.66 119.81 1ilf s GLN 67 Ca 0.20 -1.33 -0.10 0.00 0.01 0.00 0.00 55.36 54.13 1ilf s GLN 67 Cb -0.10 -3.23 -0.05 0.00 -1.01 0.00 0.00 33.01 28.62 1ilf s GLN 67 CO 0.11 -0.67 0.16 -0.59 0.01 0.00 0.00 175.29 174.30 1ilf s PHE 68 N 1.24 3.30 0.06 0.91 -0.12 0.20 -3.91 117.98 119.65 1ilf s PHE 68 Ca -0.03 0.19 -0.26 0.00 -0.05 0.00 0.00 56.93 56.77 1ilf s PHE 68 Cb -0.20 -2.27 0.07 0.00 -0.63 0.00 0.00 43.02 39.99 1ilf s PHE 68 CO -0.01 0.04 0.63 -0.06 -0.05 0.00 0.00 175.22 175.76 1ilf s PHE 69 N 1.10 -0.58 -0.27 3.49 0.08 -1.26 -4.14 117.98 116.40 1ilf s PHE 69 Ca 0.07 0.69 -0.30 0.00 0.12 0.00 0.00 56.93 57.52 1ilf s PHE 69 Cb -0.14 0.47 -0.07 0.00 -0.57 0.00 0.00 43.02 42.72 1ilf s PHE 69 CO 0.05 -0.73 2.24 -2.30 -0.10 0.00 0.00 175.22 174.38 1ilf n PRO 70 N 0.25 1.68 0.17 0.24 -0.02 -1.26 -4.81 135.00 131.25 1ilf n PRO 70 Ca -0.18 0.44 0.12 0.00 -2.02 0.00 0.00 63.50 61.86 1ilf n PRO 70 Cb 0.61 -3.07 0.61 0.00 -0.02 0.00 0.00 33.50 31.63 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 14.79 1.00 -0.59 3.55 0.00 -1.99 -2.06 119.26 133.95 1ilf h ALA 71 Ca -0.36 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.32 1ilf h ALA 71 Cb 1.26 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 18.92 1ilf h ALA 71 CO 0.99 0.00 0.29 0.43 0.00 0.00 0.00 179.25 180.96 1ilf n SER 72 N -2.35 3.86 -4.66 0.00 7.64 -1.26 -4.89 113.62 111.96 1ilf n SER 72 Ca -0.00 -2.96 -0.37 0.00 1.01 0.00 0.00 58.87 56.55 1ilf n SER 72 Cb 0.11 -0.70 -0.09 0.00 -1.01 0.00 0.00 64.21 62.52 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 -2.31 3.32 -0.17 1.43 0.52 -0.78 -5.06 118.94 115.89 1ilf s TRP 73 Ca 0.40 0.33 -0.02 0.00 0.02 0.00 0.00 56.10 56.83 1ilf s TRP 73 Cb 0.32 -2.36 0.05 0.00 -1.15 0.00 0.00 33.47 30.34 1ilf s TRP 73 CO 0.09 0.02 -0.00 -0.65 0.02 0.00 0.00 176.95 176.42 1ilf s GLN 74 N 1.22 0.98 0.00 4.98 -0.21 -1.26 -4.77 119.66 120.61 1ilf s GLN 74 Ca 0.11 -0.44 0.00 0.00 0.02 0.00 0.00 55.36 55.04 1ilf s GLN 74 Cb -0.14 -1.98 0.00 0.00 1.00 0.00 0.00 33.01 31.89 1ilf s GLN 74 CO 0.06 -0.53 0.00 0.41 -2.12 0.00 0.00 175.29 173.11 1ilf n GLY 75 N 4.97 3.30 2.83 3.09 0.00 -1.26 -4.94 105.19 113.17 1ilf n GLY 75 Ca -0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.77 1.83 -0.31 1.61 1.02 -1.26 -4.70 120.64 117.06 1ilf n GLU 76 Ca 0.00 -1.64 0.06 0.00 -0.02 0.00 0.00 57.16 55.56 1ilf n GLU 76 Cb 0.00 -2.67 0.15 0.00 -0.02 0.00 0.00 31.44 28.90 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 7.01 0.01 -6.45 3.49 4.20 -1.98 -3.41 115.11 117.99 1ilf h GLN 77 Ca 0.46 -0.00 -0.36 0.00 0.06 0.00 0.00 58.65 58.81 1ilf h GLN 77 Cb 0.39 -0.00 0.19 0.00 0.30 0.00 0.00 27.48 28.36 1ilf h GLN 77 CO 1.68 0.01 -0.76 0.54 -0.67 0.00 0.00 178.83 179.62 1ilf n ARG 78 N -5.53 -2.08 -4.00 1.46 1.74 -1.26 -5.00 116.66 101.99 1ilf n ARG 78 Ca 0.15 -0.60 -0.30 0.00 -0.77 0.00 0.00 57.85 56.33 1ilf n ARG 78 Cb 0.50 -1.62 -0.16 0.00 -1.02 0.00 0.00 32.46 30.16 1ilf n ARG 78 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1ilf s GLN 79 N -3.54 2.16 -0.01 5.56 -0.21 -1.26 -5.12 119.66 117.23 1ilf s GLN 79 Ca 0.49 -0.57 0.06 0.00 0.02 0.00 0.00 55.36 55.36 1ilf s GLN 79 Cb -0.09 -2.10 -0.02 0.00 1.00 0.00 0.00 33.01 31.81 1ilf s GLN 79 CO 0.53 -0.27 -0.19 0.99 -2.12 0.00 0.00 175.29 174.23 1ilf s THR 80 N 1.50 1.53 -0.89 -0.19 2.01 -1.26 -4.90 115.64 113.44 1ilf s THR 80 Ca 0.04 -0.85 -0.21 0.00 0.31 0.00 0.00 61.69 60.98 1ilf s THR 80 Cb -0.13 -1.27 0.09 0.00 0.01 0.00 0.00 72.50 71.19 1ilf s THR 80 CO -0.10 0.41 1.20 -2.16 -0.69 0.00 0.00 174.62 173.28 1ilf s PRO 81 N -0.50 3.48 0.21 4.92 0.04 -1.26 -4.81 135.00 137.08 1ilf s PRO 81 Ca 0.07 -1.33 -0.28 0.00 0.04 0.00 0.00 61.00 59.51 1ilf s PRO 81 Cb -0.08 -4.87 -0.09 0.00 0.04 0.00 0.00 34.50 29.51 1ilf s PRO 81 CO -0.01 -1.92 0.86 0.45 0.04 0.00 0.00 177.00 176.42 1ilf s SER 82 N 4.02 7.52 0.00 6.66 0.15 -1.26 -4.89 113.70 125.90 1ilf s SER 82 Ca 0.35 1.80 0.16 0.00 0.70 0.00 0.00 55.95 58.95 1ilf s SER 82 Cb -0.06 -2.56 0.93 0.00 -1.71 0.00 0.00 66.02 62.62 1ilf s SER 82 CO -0.05 0.18 1.36 0.54 1.20 0.00 0.00 173.24 176.47 1ilf n ARG 83 N 1.52 0.60 0.02 5.44 5.12 -1.04 0.15 116.66 128.46 1ilf n ARG 83 Ca -0.04 0.00 -0.18 0.00 -1.93 0.00 0.00 57.85 55.70 1ilf n ARG 83 Cb 0.48 -1.41 -0.08 0.00 -1.16 0.00 0.00 32.46 30.29 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 0.00 0.71 0.00 5.56 3.07 -1.99 -3.38 114.58 118.55 1ilf h GLU 84 Ca 0.00 -0.67 -0.17 0.00 -0.50 0.00 0.00 59.36 58.02 1ilf h GLU 84 Cb 0.00 0.17 -0.03 0.00 -0.84 0.00 0.00 28.75 28.05 1ilf h GLU 84 CO 0.00 1.27 -1.59 0.66 -1.40 0.00 0.00 179.01 177.95 1ilf n TYR 85 N -3.88 0.00 -4.02 4.33 4.02 -1.04 -4.90 117.16 111.67 1ilf n TYR 85 Ca -0.09 0.00 -0.33 0.00 -0.01 0.00 0.00 57.90 57.48 1ilf n TYR 85 Cb 0.82 -0.38 -0.15 0.00 -0.02 0.00 0.00 39.34 39.61 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 -2.20 2.38 -0.18 -0.72 -7.23 0.12 0.54 120.40 113.12 1ilf s VAL 86 Ca -0.14 -1.71 -0.15 0.00 -1.81 0.00 0.00 61.98 58.17 1ilf s VAL 86 Cb 0.05 -2.46 -0.04 0.00 0.56 0.00 0.00 36.38 34.49 1ilf s VAL 86 CO 0.20 -0.15 0.34 -0.62 -0.31 0.00 0.00 175.10 174.56 1ilf s ASP 87 N 1.12 6.42 0.00 4.85 -1.08 -1.08 -2.51 116.67 124.39 1ilf s ASP 87 Ca -0.05 0.49 0.00 0.00 -0.52 0.00 0.00 52.55 52.47 1ilf s ASP 87 Cb -0.20 -2.20 0.00 0.00 -1.46 0.00 0.00 42.92 39.06 1ilf s ASP 87 CO -0.05 0.01 0.79 0.18 0.52 0.00 0.00 175.17 176.62 1ilf n LEU 88 N 4.07 1.37 -4.51 -1.34 4.77 -1.26 -4.19 117.00 115.90 1ilf n LEU 88 Ca -0.10 -1.37 -0.41 0.00 -0.03 0.00 0.00 56.01 54.10 1ilf n LEU 88 Cb 0.51 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.50 1ilf n LEU 88 CO 0.40 0.34 -0.10 -0.70 -1.33 0.00 0.00 177.39 175.99 1ilf s GLU 89 N -0.62 3.35 0.00 3.23 2.12 -1.26 -4.84 118.70 120.68 1ilf s GLU 89 Ca 0.00 -0.75 0.00 0.00 0.36 0.00 0.00 54.97 54.58 1ilf s GLU 89 Cb 0.00 -3.86 0.00 0.00 0.26 0.00 0.00 34.13 30.53 1ilf s GLU 89 CO 0.00 -0.53 0.00 2.89 -0.54 0.00 0.00 175.26 177.08 1ilf n ARG 90 N 5.13 -0.00 -0.01 4.30 0.00 -1.26 -4.68 116.66 120.13 1ilf n ARG 90 Ca -0.12 -0.00 -0.08 0.00 -0.00 0.00 0.00 57.85 57.65 1ilf n ARG 90 Cb 0.49 0.00 -0.14 0.00 -0.00 0.00 0.00 32.46 32.81 1ilf n ARG 90 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.63 178.68 1ilf h GLU 91 N 0.01 0.00 0.00 2.89 4.11 -1.88 -3.50 114.58 116.21 1ilf h GLU 91 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1ilf h GLU 91 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1ilf h GLU 91 CO 0.00 0.53 0.00 0.00 0.07 0.00 0.00 179.01 179.61 1ilf n ALA 92 N -2.53 0.00 0.31 1.06 0.00 -1.26 -4.97 120.51 113.11 1ilf n ALA 92 Ca -0.15 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.36 1ilf n ALA 92 Cb 1.04 0.00 0.33 0.00 0.00 0.00 0.00 19.45 20.82 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 -0.94 3.36 0.00 0.00 -1.26 -4.75 105.19 101.60 1ilf n GLY 93 Ca 0.00 0.04 -0.21 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.17 1.74 -0.05 1.61 3.01 -1.26 -4.30 119.74 117.32 1ilf s LYS 94 Ca 0.03 -2.02 0.06 0.00 -1.01 0.00 0.00 55.97 53.03 1ilf s LYS 94 Cb 0.07 -0.05 -0.01 0.00 -1.01 0.00 0.00 37.83 36.83 1ilf s LYS 94 CO 0.23 -0.54 -0.25 0.54 0.51 0.00 0.00 175.35 175.84 1ilf s VAL 95 N -3.45 2.04 0.06 3.17 0.11 -0.75 -4.69 120.40 116.88 1ilf s VAL 95 Ca 0.34 -1.06 0.09 0.00 -2.93 0.00 0.00 61.98 58.42 1ilf s VAL 95 Cb 0.03 -1.72 -0.03 0.00 -1.53 0.00 0.00 36.38 33.13 1ilf s VAL 95 CO 0.21 0.57 -0.25 -0.72 -3.33 0.00 0.00 175.10 171.58 1ilf s TYR 96 N -0.22 2.17 0.04 1.54 -0.85 -1.26 -1.12 117.35 117.65 1ilf s TYR 96 Ca -0.02 -0.40 -0.01 0.00 -0.52 0.00 0.00 57.07 56.12 1ilf s TYR 96 Cb -0.13 -1.28 -0.03 0.00 0.38 0.00 0.00 41.96 40.90 1ilf s TYR 96 CO 0.03 0.14 -0.02 -0.48 -1.52 0.00 0.00 175.55 173.71 1ilf s LEU 97 N -1.34 2.36 -0.13 -3.49 -0.00 -0.85 -2.63 118.68 112.60 1ilf s LEU 97 Ca 0.11 -0.83 0.02 0.00 -0.00 0.00 0.00 54.13 53.43 1ilf s LEU 97 Cb -0.10 0.21 0.01 0.00 -0.00 0.00 0.00 46.19 46.32 1ilf s LEU 97 CO 0.03 -0.51 -0.19 -0.54 -0.00 0.00 0.00 176.35 175.13 1ilf s LYS 98 N -3.16 2.64 -0.03 1.48 1.02 0.19 -2.07 119.74 119.81 1ilf s LYS 98 Ca -0.00 -0.71 0.05 0.00 0.02 0.00 0.00 55.97 55.32 1ilf s LYS 98 Cb 0.02 -2.18 -0.01 0.00 -0.52 0.00 0.00 37.83 35.14 1ilf s LYS 98 CO -0.07 -0.05 -0.17 0.00 -0.92 0.00 0.00 175.35 174.14 1ilf s ALA 99 N 0.92 1.50 -0.26 5.17 0.00 -0.33 -4.30 121.76 124.47 1ilf s ALA 99 Ca -0.06 -0.73 -0.19 0.00 0.00 0.00 0.00 51.96 50.99 1ilf s ALA 99 Cb -0.15 -0.44 -0.02 0.00 0.00 0.00 0.00 23.12 22.50 1ilf s ALA 99 CO -0.02 0.32 0.55 -1.25 0.00 0.00 0.00 175.76 175.36 1ilf s PRO 100 N -0.18 4.08 0.28 0.00 0.04 -1.25 -0.36 135.00 137.60 1ilf s PRO 100 Ca 0.01 0.40 0.02 0.00 0.04 0.00 0.00 61.00 61.47 1ilf s PRO 100 Cb -0.09 -3.65 -0.04 0.00 0.04 0.00 0.00 34.50 30.75 1ilf s PRO 100 CO 0.01 -0.37 0.12 0.00 0.04 0.00 0.00 177.00 176.80 1ilf s MET 101 N 2.38 1.50 -0.41 4.56 0.23 0.17 -4.77 119.30 122.96 1ilf s MET 101 Ca 0.23 -1.84 -0.09 0.00 -1.03 0.00 0.00 55.69 52.96 1ilf s MET 101 Cb -0.16 -0.20 0.07 0.00 -1.53 0.00 0.00 34.83 33.02 1ilf s MET 101 CO 0.09 -0.37 0.25 0.42 -2.03 0.00 0.00 175.02 173.38 1ilf s ILE 102 N -3.68 4.26 0.06 3.16 -1.09 -1.26 -1.10 121.20 121.55 1ilf s ILE 102 Ca 0.36 -1.31 0.00 0.00 -2.23 0.00 0.00 60.65 57.47 1ilf s ILE 102 Cb 0.06 -3.57 -0.04 0.00 -1.58 0.00 0.00 42.46 37.34 1ilf s ILE 102 CO 0.15 -0.46 0.21 -0.76 -1.23 0.00 0.00 174.94 172.86 1ilf s LEU 103 N 1.44 4.35 0.00 2.97 1.43 -0.18 -4.81 118.68 123.88 1ilf s LEU 103 Ca 0.03 0.26 0.00 0.00 -1.03 0.00 0.00 54.13 53.39 1ilf s LEU 103 Cb -0.22 -2.95 0.00 0.00 0.03 0.00 0.00 46.19 43.04 1ilf s LEU 103 CO 0.03 0.17 0.00 0.59 0.23 0.00 0.00 176.35 177.36 1ilf n ASN 104 N 0.26 0.00 -4.20 2.29 4.13 -1.26 0.13 115.26 116.60 1ilf n ASN 104 Ca -0.05 0.00 -0.34 0.00 1.68 0.00 0.00 54.58 55.87 1ilf n ASN 104 Cb 0.51 0.00 -0.06 0.00 -1.54 0.00 0.00 39.78 38.69 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 3.60 7.41 0.00 -1.26 -4.94 105.19 109.71 1ilf n GLY 105 Ca 0.00 0.22 -0.12 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.29 1.61 1.01 0.35 -3.04 120.40 115.93 1ilf s VAL 106 Ca 0.13 0.00 -0.27 0.00 0.00 0.00 0.00 61.98 61.83 1ilf s VAL 106 Cb -0.07 -1.00 0.01 0.00 0.00 0.00 0.00 36.38 35.32 1ilf s VAL 106 CO 0.98 0.00 0.98 0.00 0.00 0.00 0.00 175.10 177.05 1ilf s VAL 108 N 3.30 1.09 -0.09 0.00 -7.23 -0.26 -1.85 120.40 115.37 1ilf s VAL 108 Ca 0.41 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.55 1ilf s VAL 108 Cb -0.14 -2.73 0.04 0.00 0.56 0.00 0.00 36.38 34.12 1ilf s VAL 108 CO 0.12 0.00 0.09 -0.63 -0.31 0.00 0.00 175.10 174.36 1ilf s ILE 109 N -3.30 -0.13 -0.27 -0.62 1.01 0.21 -0.66 121.20 117.44 1ilf s ILE 109 Ca 0.35 0.22 -0.19 0.00 0.00 0.00 0.00 60.65 61.03 1ilf s ILE 109 Cb 0.08 -0.31 -0.02 0.00 0.01 0.00 0.00 42.46 42.22 1ilf s ILE 109 CO 0.15 0.02 0.55 0.86 0.00 0.00 0.00 174.94 176.53 1ilf s TRP 110 N 2.18 3.25 -0.04 3.97 -0.00 0.51 -0.83 118.94 127.98 1ilf s TRP 110 Ca 0.04 0.62 0.03 0.00 -0.00 0.00 0.00 56.10 56.79 1ilf s TRP 110 Cb -0.13 -2.80 0.00 0.00 -0.00 0.00 0.00 33.47 30.53 1ilf s TRP 110 CO -0.05 -0.34 -0.13 0.21 -0.00 0.00 0.00 176.95 176.63 1ilf s LYS 111 N 2.40 1.44 -0.07 5.86 2.36 -0.28 -1.19 119.74 130.27 1ilf s LYS 111 Ca 0.22 -0.47 -0.31 0.00 -2.55 0.00 0.00 55.97 52.86 1ilf s LYS 111 Cb -0.15 -1.28 0.12 0.00 -1.05 0.00 0.00 37.83 35.47 1ilf s LYS 111 CO 0.10 0.17 1.08 0.20 1.55 0.00 0.00 175.35 178.46 1ilf s GLY 112 N 0.15 -0.36 0.04 5.54 0.00 -0.88 0.33 107.32 112.14 1ilf s GLY 112 Ca -0.04 1.15 0.07 0.00 0.00 0.00 0.00 44.72 45.90 1ilf s GLY 112 CO 0.02 0.37 -0.19 0.66 0.00 0.00 0.00 173.10 173.95 1ilf s TRP 113 N -2.74 2.53 0.11 1.90 1.48 -0.26 -2.01 118.94 119.95 1ilf s TRP 113 Ca 0.09 -0.28 0.08 0.00 -1.06 0.00 0.00 56.10 54.93 1ilf s TRP 113 Cb -0.00 -1.46 -0.04 0.00 -1.16 0.00 0.00 33.47 30.81 1ilf s TRP 113 CO -0.05 0.23 -0.20 0.96 -4.06 0.00 0.00 176.95 173.83 1ilf s ILE 114 N -0.90 1.67 0.11 0.66 -0.00 -0.28 -1.93 121.20 120.52 1ilf s ILE 114 Ca 0.14 -1.60 -0.24 0.00 -0.00 0.00 0.00 60.65 58.95 1ilf s ILE 114 Cb -0.10 -1.57 -0.07 0.00 -0.00 0.00 0.00 42.46 40.72 1ilf s ILE 114 CO 0.05 -0.13 0.75 1.51 -0.00 0.00 0.00 174.94 177.11 1ilf s ASP 115 N -2.05 7.28 0.00 4.36 1.47 -0.68 -1.82 116.67 125.24 1ilf s ASP 115 Ca 0.07 1.52 0.00 0.00 1.18 0.00 0.00 52.55 55.32 1ilf s ASP 115 Cb -0.09 -2.47 0.00 0.00 -0.34 0.00 0.00 42.92 40.02 1ilf s ASP 115 CO 0.04 0.14 0.38 0.18 0.68 0.00 0.00 175.17 176.60 1ilf n LEU 116 N 2.10 0.21 0.02 2.11 4.77 -1.26 -0.75 117.00 124.19 1ilf n LEU 116 Ca -0.05 -0.10 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 1ilf n LEU 116 Cb 0.49 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 1ilf n LEU 116 CO 0.46 0.05 0.00 1.57 -1.33 0.00 0.00 177.39 178.14 1ilf n HIS 117 N -0.18 -0.13 0.75 -1.77 -0.00 -1.26 -4.84 115.22 107.79 1ilf n HIS 117 Ca 0.00 0.02 0.12 0.00 0.46 0.00 0.00 57.72 58.32 1ilf n HIS 117 Cb 0.05 0.08 0.19 0.00 -0.12 0.00 0.00 29.99 30.20 1ilf n HIS 117 CO 0.00 0.00 0.00 2.89 0.46 0.00 0.00 176.34 179.69 1ilf n ARG 118 N -2.82 0.17 -2.60 1.57 1.85 -1.25 -4.94 116.66 108.63 1ilf n ARG 118 Ca 0.00 0.04 -0.16 0.00 -1.00 0.00 0.00 57.85 56.73 1ilf n ARG 118 Cb 0.00 -1.60 0.01 0.00 -1.05 0.00 0.00 32.46 29.83 1ilf n ARG 118 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1ilf n LEU 119 N -1.83 -2.11 -4.55 2.89 4.77 0.07 -4.77 117.00 111.47 1ilf n LEU 119 Ca 0.04 -0.13 -0.31 0.00 -0.03 0.00 0.00 56.01 55.58 1ilf n LEU 119 Cb 0.40 -2.29 -0.11 0.00 -2.33 0.00 0.00 43.42 39.08 1ilf n LEU 119 CO 0.36 0.04 -0.43 -1.81 -1.33 0.00 0.00 177.39 174.22 1ilf s ASP 120 N -2.60 4.30 0.00 -1.43 1.01 -1.26 -1.81 116.67 114.87 1ilf s ASP 120 Ca 0.13 -0.32 0.00 0.00 0.71 0.00 0.00 52.55 53.07 1ilf s ASP 120 Cb -0.06 -0.85 0.00 0.00 1.01 0.00 0.00 42.92 43.02 1ilf s ASP 120 CO 0.16 0.23 0.00 0.61 0.21 0.00 0.00 175.17 176.39 1ilf n GLY 121 N 1.21 1.10 3.34 0.21 0.00 -0.67 -1.68 105.19 108.69 1ilf n GLY 121 Ca -0.15 0.25 -0.12 0.00 0.00 0.00 0.00 46.02 46.00 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 4.07 0.50 0.00 1.61 1.75 -0.81 -1.94 119.30 124.47 1ilf s MET 122 Ca 0.00 0.70 0.00 0.00 -1.25 0.00 0.00 55.69 55.14 1ilf s MET 122 Cb 0.00 0.17 0.00 0.00 2.84 0.00 0.00 34.83 37.84 1ilf s MET 122 CO 0.00 -0.09 0.00 0.41 -0.65 0.00 0.00 175.02 174.69 1ilf n GLY 123 N 3.30 6.16 3.65 2.11 0.00 -0.50 -1.11 105.19 118.80 1ilf n GLY 123 Ca -0.16 -1.98 -0.02 0.00 0.00 0.00 0.00 46.02 43.86 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 -0.78 4.34 -0.18 0.00 1.43 -0.86 -1.12 118.68 121.50 1ilf s LEU 125 Ca 0.09 0.23 -0.06 0.00 -1.03 0.00 0.00 54.13 53.36 1ilf s LEU 125 Cb -0.02 -2.96 0.09 0.00 0.03 0.00 0.00 46.19 43.34 1ilf s LEU 125 CO -0.10 0.08 0.36 -1.61 0.23 0.00 0.00 176.35 175.31 1ilf s GLU 126 N -3.00 0.27 0.05 1.70 2.02 -0.01 -4.21 118.70 115.52 1ilf s GLU 126 Ca 0.35 0.85 -0.30 0.00 0.02 0.00 0.00 54.97 55.89 1ilf s GLU 126 Cb -0.12 0.05 -0.05 0.00 0.10 0.00 0.00 34.13 34.12 1ilf s GLU 126 CO 0.28 -0.33 1.14 0.12 0.02 0.00 0.00 175.26 176.49 1ilf s PHE 127 N 2.54 3.49 -0.49 1.61 2.19 -1.26 0.67 117.98 126.72 1ilf s PHE 127 Ca 0.02 1.40 -0.22 0.00 0.33 0.00 0.00 56.93 58.45 1ilf s PHE 127 Cb -0.13 -3.35 0.04 0.00 -1.31 0.00 0.00 43.02 38.27 1ilf s PHE 127 CO -0.12 -0.97 0.78 0.16 1.83 0.00 0.00 175.22 176.90 1ilf s ASP 128 N 1.04 6.34 0.41 6.13 1.47 -0.77 -4.90 116.67 126.39 1ilf s ASP 128 Ca 0.57 -0.39 0.22 0.00 1.18 0.00 0.00 52.55 54.13 1ilf s ASP 128 Cb -0.27 -2.37 0.75 0.00 -0.34 0.00 0.00 42.92 40.69 1ilf s ASP 128 CO 0.29 -0.99 1.75 -0.33 0.68 0.00 0.00 175.17 176.58 1ilf h GLU 129 N 9.07 0.00 0.55 2.11 3.07 -1.94 -1.44 114.58 126.00 1ilf h GLU 129 Ca -0.26 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.57 1ilf h GLU 129 Cb 1.09 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 29.00 1ilf h GLU 129 CO 0.99 0.27 -0.26 1.05 -1.40 0.00 0.00 179.01 179.66 1ilf h GLU 130 N 0.00 -0.71 0.10 2.33 4.11 -1.98 -2.26 114.58 116.17 1ilf h GLU 130 Ca -0.00 0.05 -0.28 0.00 0.07 0.00 0.00 59.36 59.20 1ilf h GLU 130 Cb 0.86 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.27 1ilf h GLU 130 CO 0.04 -0.45 -1.33 -0.09 0.07 0.00 0.00 179.01 177.24 1ilf h ARG 131 N -0.78 0.21 -0.38 1.06 2.43 -1.98 -3.33 114.38 111.62 1ilf h ARG 131 Ca -0.08 -0.35 0.08 0.00 -0.81 0.00 0.00 59.98 58.82 1ilf h ARG 131 Cb 0.58 0.13 -0.08 0.00 -0.42 0.00 0.00 29.97 30.19 1ilf h ARG 131 CO 0.12 1.11 -0.15 0.00 -1.51 0.00 0.00 179.97 179.55 1ilf h ALA 132 N 0.64 0.17 -0.74 2.80 0.00 -1.28 -0.67 119.26 120.17 1ilf h ALA 132 Ca -0.16 0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.91 1ilf h ALA 132 Cb 1.96 0.38 -0.04 0.00 0.00 0.00 0.00 17.79 20.09 1ilf h ALA 132 CO 0.17 -0.51 0.49 -0.56 0.00 0.00 0.00 179.25 178.84 1ilf h GLN 133 N -0.07 0.94 -0.53 0.00 3.07 -1.54 -1.94 115.11 115.04 1ilf h GLN 133 Ca 0.19 -0.06 -0.07 0.00 0.09 0.00 0.00 58.65 58.80 1ilf h GLN 133 Cb 0.35 -0.21 -0.02 0.00 0.08 0.00 0.00 27.48 27.68 1ilf h GLN 133 CO -0.43 0.62 0.06 1.96 0.09 0.00 0.00 178.83 181.14 1ilf h GLN 134 N 0.97 0.86 -0.99 0.06 4.20 -1.28 -2.02 115.11 116.91 1ilf h GLN 134 Ca 0.28 -0.21 0.23 0.00 0.06 0.00 0.00 58.65 59.01 1ilf h GLN 134 Cb -0.05 -0.11 -0.09 0.00 0.30 0.00 0.00 27.48 27.53 1ilf h GLN 134 CO -0.07 0.82 0.63 0.93 -0.67 0.00 0.00 178.83 180.47 1ilf h GLU 135 N 0.81 0.47 -0.20 1.46 4.39 -0.43 0.99 114.58 122.08 1ilf h GLU 135 Ca 0.17 -0.03 -0.18 0.00 0.34 0.00 0.00 59.36 59.66 1ilf h GLU 135 Cb 0.40 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 28.94 1ilf h GLU 135 CO 0.01 0.31 -0.59 -0.44 -1.16 0.00 0.00 179.01 177.15 1ilf h ASP 136 N 0.49 0.74 -0.05 1.42 3.32 -1.38 0.24 116.42 121.20 1ilf h ASP 136 Ca 0.55 -0.41 -0.01 0.00 0.02 0.00 0.00 57.03 57.18 1ilf h ASP 136 Cb 1.26 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 40.59 1ilf h ASP 136 CO -0.28 1.16 -0.01 0.00 -1.72 0.00 0.00 179.24 178.39 1ilf h ALA 137 N 0.84 0.07 -0.33 3.45 0.00 0.10 0.46 119.26 123.86 1ilf h ALA 137 Ca 0.00 -0.20 -0.17 0.00 0.00 0.00 0.00 54.91 54.54 1ilf h ALA 137 Cb 1.16 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 1ilf h ALA 137 CO 0.12 -0.22 -0.46 -0.07 0.00 0.00 0.00 179.25 178.61 1ilf h LEU 138 N -0.24 0.95 -1.43 0.00 3.38 0.22 -2.76 115.31 115.43 1ilf h LEU 138 Ca 0.01 -0.47 -0.01 0.00 0.09 0.00 0.00 57.88 57.50 1ilf h LEU 138 Cb 0.40 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 1ilf h LEU 138 CO 0.01 1.26 -0.06 0.00 0.09 0.00 0.00 178.44 179.74 1ilf h ALA 139 N 0.77 1.02 -3.21 1.53 0.00 -0.54 -3.38 119.26 115.45 1ilf h ALA 139 Ca 0.04 -0.05 -0.57 0.00 0.00 0.00 0.00 54.91 54.33 1ilf h ALA 139 Cb 1.06 -0.01 -0.40 0.00 0.00 0.00 0.00 17.79 18.44 1ilf h ALA 139 CO 0.11 0.07 -0.76 -0.65 0.00 0.00 0.00 179.25 178.02 1ilf s GLN 140 N -3.70 0.76 0.00 0.00 -0.21 0.15 -5.01 119.66 111.65 1ilf s GLN 140 Ca 0.01 -0.91 0.00 0.00 0.02 0.00 0.00 55.36 54.48 1ilf s GLN 140 Cb 0.09 -2.04 0.00 0.00 1.00 0.00 0.00 33.01 32.06 1ilf s GLN 140 CO 0.57 -0.88 0.42 1.04 -2.12 0.00 0.00 175.29 174.32