#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 -0.74 -0.72 0.03 -0.02 -1.26 -4.88 135.00 127.41 1ilf n PRO 2 Ca 0.00 -0.01 0.08 0.00 -2.02 0.00 0.00 63.50 61.55 1ilf n PRO 2 Cb 0.00 -0.02 0.38 0.00 -0.02 0.00 0.00 33.50 33.83 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 -1.38 4.16 -3.14 -0.52 0.00 -1.26 -4.93 116.66 109.60 1ilf n ARG 3 Ca 0.00 -2.95 -0.39 0.00 -0.00 0.00 0.00 57.85 54.51 1ilf n ARG 3 Cb 0.01 -2.04 -0.05 0.00 -0.00 0.00 0.00 32.46 30.37 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 -2.19 5.07 0.38 8.89 -7.23 -1.26 -4.07 120.40 120.00 1ilf s VAL 4 Ca 0.52 1.23 -0.16 0.00 -1.81 0.00 0.00 61.98 61.76 1ilf s VAL 4 Cb 0.36 -3.95 -0.09 0.00 0.56 0.00 0.00 36.38 33.26 1ilf s VAL 4 CO 0.21 0.22 0.82 0.68 -0.31 0.00 0.00 175.10 176.72 1ilf s VAL 5 N 1.16 4.61 0.25 1.32 -7.23 -1.23 -4.92 120.40 114.35 1ilf s VAL 5 Ca 0.31 1.06 0.16 0.00 -1.81 0.00 0.00 61.98 61.70 1ilf s VAL 5 Cb -0.16 -3.63 0.25 0.00 0.56 0.00 0.00 36.38 33.39 1ilf s VAL 5 CO 0.13 -0.31 0.98 -2.65 -0.31 0.00 0.00 175.10 172.94 1ilf n PRO 6 N -0.68 -0.03 -3.56 4.82 -0.02 -1.26 -2.36 135.00 131.91 1ilf n PRO 6 Ca 0.05 0.84 -0.29 0.00 -2.02 0.00 0.00 63.50 62.07 1ilf n PRO 6 Cb 0.54 -1.55 -0.12 0.00 -0.02 0.00 0.00 33.50 32.34 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 -4.60 3.25 0.18 2.55 1.01 -1.26 -4.98 116.67 112.83 1ilf s ASP 7 Ca -0.05 -2.33 -0.13 0.00 0.71 0.00 0.00 52.55 50.75 1ilf s ASP 7 Cb 0.21 -0.64 0.09 0.00 1.01 0.00 0.00 42.92 43.58 1ilf s ASP 7 CO 0.50 -0.30 1.83 1.56 0.21 0.00 0.00 175.17 178.97 1ilf h GLN 8 N 6.95 0.80 0.00 8.23 4.20 -1.79 -0.04 115.11 133.47 1ilf h GLN 8 Ca 0.03 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.64 1ilf h GLN 8 Cb 0.96 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 28.56 1ilf h GLN 8 CO 0.35 0.56 -0.15 0.07 -0.67 0.00 0.00 178.83 178.99 1ilf h ARG 9 N 0.81 0.00 -0.59 1.46 0.11 -1.93 -1.76 114.38 112.48 1ilf h ARG 9 Ca 0.22 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.26 1ilf h ARG 9 Cb -0.05 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.00 1ilf h ARG 9 CO -0.04 0.15 0.23 1.03 0.10 0.00 0.00 179.97 181.44 1ilf h SER 10 N 0.00 0.78 0.15 0.08 0.87 -1.40 0.59 113.55 114.62 1ilf h SER 10 Ca -0.00 -0.10 -0.28 0.00 -1.23 0.00 0.00 61.79 60.18 1ilf h SER 10 Cb 0.48 -0.20 0.01 0.00 -0.44 0.00 0.00 62.40 62.25 1ilf h SER 10 CO 0.02 0.70 -1.38 0.11 -0.53 0.00 0.00 176.83 175.75 1ilf h LYS 11 N 0.84 0.31 0.00 2.24 6.56 -1.26 0.21 116.57 125.48 1ilf h LYS 11 Ca 0.20 -0.54 -0.01 0.00 -1.06 0.00 0.00 60.65 59.25 1ilf h LYS 11 Cb 0.17 0.20 -0.00 0.00 -0.57 0.00 0.00 32.23 32.03 1ilf h LYS 11 CO -0.02 1.26 -0.03 0.35 -2.06 0.00 0.00 179.45 178.95 1ilf h PHE 12 N -0.19 0.00 0.00 -1.35 3.04 -1.22 0.53 116.94 117.75 1ilf h PHE 12 Ca -0.28 0.00 -0.37 0.00 3.98 0.00 0.00 57.97 61.30 1ilf h PHE 12 Cb 1.85 0.00 -0.07 0.00 2.56 0.00 0.00 35.95 40.29 1ilf h PHE 12 CO 0.13 0.03 -2.38 -0.85 -2.02 0.00 0.00 178.31 173.22 1ilf n GLU 13 N -3.20 0.72 -0.09 1.11 0.28 0.21 -4.27 120.64 115.39 1ilf n GLU 13 Ca -0.01 -0.01 -0.09 0.00 -0.16 0.00 0.00 57.16 56.89 1ilf n GLU 13 Cb 0.22 -1.52 -0.16 0.00 1.43 0.00 0.00 31.44 31.41 1ilf n GLU 13 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 1ilf n ASN 14 N -2.75 0.02 -4.75 -1.84 2.85 0.74 -4.88 115.26 104.66 1ilf n ASN 14 Ca -0.33 0.01 -0.41 0.00 -0.11 0.00 0.00 54.58 53.74 1ilf n ASN 14 Cb 1.15 1.03 -0.02 0.00 1.24 0.00 0.00 39.78 43.19 1ilf n ASN 14 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 1ilf s GLU 15 N -2.56 4.22 0.00 1.20 2.02 0.18 -4.89 118.70 118.88 1ilf s GLU 15 Ca -0.10 2.38 0.00 0.00 0.02 0.00 0.00 54.97 57.28 1ilf s GLU 15 Cb 0.07 -3.08 0.00 0.00 0.10 0.00 0.00 34.13 31.21 1ilf s GLU 15 CO 0.83 -0.48 0.86 -0.85 0.02 0.00 0.00 175.26 175.64 1ilf n GLU 16 N 2.23 0.00 -0.32 1.61 0.28 -1.26 0.83 120.64 124.02 1ilf n GLU 16 Ca 0.07 0.39 0.07 0.00 -0.16 0.00 0.00 57.16 57.53 1ilf n GLU 16 Cb 0.39 -1.37 0.23 0.00 1.43 0.00 0.00 31.44 32.13 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 0.91 0.00 -1.84 3.04 -1.97 0.96 116.94 118.04 1ilf h PHE 17 Ca 0.00 0.03 -0.02 0.00 3.98 0.00 0.00 57.97 61.96 1ilf h PHE 17 Cb 0.00 -0.27 -0.00 0.00 2.56 0.00 0.00 35.95 38.24 1ilf h PHE 17 CO 0.17 0.27 -0.11 0.35 -2.02 0.00 0.00 178.31 176.97 1ilf h PHE 18 N 0.75 0.00 0.00 0.41 3.04 -1.88 0.18 116.94 119.44 1ilf h PHE 18 Ca 0.48 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.43 1ilf h PHE 18 Cb 0.62 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.13 1ilf h PHE 18 CO -0.05 0.11 -0.10 0.00 -2.02 0.00 0.00 178.31 176.25 1ilf h ARG 19 N 0.00 0.00 -0.96 1.11 3.08 0.70 0.46 114.38 118.77 1ilf h ARG 19 Ca -0.00 0.00 0.28 0.00 0.07 0.00 0.00 59.98 60.33 1ilf h ARG 19 Cb 0.21 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.23 1ilf h ARG 19 CO 0.01 0.00 0.75 1.57 -1.07 0.00 0.00 179.97 181.24 1ilf h LYS 20 N -0.69 0.00 0.12 0.04 2.10 0.13 0.64 116.57 118.91 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 0.10 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.41 1ilf h LYS 20 CO 0.00 0.00 -1.88 -0.07 -2.00 0.00 0.00 179.45 175.50 1ilf h LEU 21 N 0.00 0.39 -1.17 7.07 3.38 -0.75 -3.31 115.31 120.91 1ilf h LEU 21 Ca 0.46 -0.78 0.00 0.00 0.09 0.00 0.00 57.88 57.65 1ilf h LEU 21 Cb 1.96 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.58 1ilf h LEU 21 CO -0.00 1.69 0.22 -1.28 0.09 0.00 0.00 178.44 179.15 1ilf h SER 22 N 0.07 0.00 -3.00 -0.43 0.87 0.51 -2.17 113.55 109.40 1ilf h SER 22 Ca -0.38 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.18 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 -2.21 1.76 -3.95 2.24 5.12 -0.49 -3.67 116.66 115.46 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 0.25 0.00 -0.11 0.00 -1.16 0.00 0.00 32.46 31.43 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 0.02 3.80 0.01 5.56 8.01 -1.26 -2.06 118.70 132.78 1ilf s GLU 24 Ca 0.00 -0.42 -0.15 0.00 0.01 0.00 0.00 54.97 54.41 1ilf s GLU 24 Cb 0.00 -3.23 0.02 0.00 -4.31 0.00 0.00 34.13 26.61 1ilf s GLU 24 CO 0.00 0.06 0.33 0.00 0.01 0.00 0.00 175.26 175.66 1ilf n GLU 26 N 0.92 0.30 -4.19 0.00 1.02 -1.26 -1.99 120.64 115.44 1ilf n GLU 26 Ca -0.20 0.11 -0.12 0.00 -0.02 0.00 0.00 57.16 56.93 1ilf n GLU 26 Cb 0.58 -1.21 -0.10 0.00 -0.02 0.00 0.00 31.44 30.68 1ilf n GLU 26 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 1ilf s ILE 27 N -1.24 0.50 0.15 -3.67 -4.36 -0.90 -1.51 121.20 110.18 1ilf s ILE 27 Ca 0.62 -1.94 -0.20 0.00 -0.26 0.00 0.00 60.65 58.87 1ilf s ILE 27 Cb -0.77 -1.98 0.05 0.00 1.25 0.00 0.00 42.46 41.01 1ilf s ILE 27 CO 0.58 -0.58 0.52 -1.59 0.24 0.00 0.00 174.94 174.11 1ilf s LYS 28 N -3.93 1.21 -0.06 0.37 -2.85 -0.81 -1.43 119.74 112.23 1ilf s LYS 28 Ca 0.21 -0.60 -0.28 0.00 -1.00 0.00 0.00 55.97 54.30 1ilf s LYS 28 Cb 0.06 0.54 -0.02 0.00 -2.06 0.00 0.00 37.83 36.35 1ilf s LYS 28 CO 0.01 -0.51 0.92 -0.47 0.10 0.00 0.00 175.35 175.40 1ilf s TYR 29 N -3.78 3.57 0.00 1.78 5.04 -0.32 0.36 117.35 124.00 1ilf s TYR 29 Ca 0.02 1.54 0.02 0.00 -2.44 0.00 0.00 57.07 56.21 1ilf s TYR 29 Cb 0.00 -3.07 0.03 0.00 0.35 0.00 0.00 41.96 39.27 1ilf s TYR 29 CO -0.12 -0.08 0.98 0.25 -1.34 0.00 0.00 175.55 175.24 1ilf n THR 30 N 4.17 0.00 -0.00 4.34 -2.24 -1.26 -4.86 114.28 114.42 1ilf n THR 30 Ca 0.05 -0.07 -0.00 0.00 -2.27 0.00 0.00 64.05 61.76 1ilf n THR 30 Cb 0.50 0.51 -0.00 0.00 -2.10 0.00 0.00 70.33 69.24 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 0.07 0.00 -0.02 3.38 0.00 -1.90 -3.45 103.07 101.16 1ilf h GLY 31 Ca -0.51 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.82 1ilf h GLY 31 CO -0.24 0.00 -0.01 1.97 0.00 0.00 0.00 176.54 178.26 1ilf n PHE 32 N -2.32 0.00 0.94 5.60 1.16 -1.26 -4.67 117.46 116.90 1ilf n PHE 32 Ca -0.00 -0.37 0.12 0.00 -1.87 0.00 0.00 57.45 55.33 1ilf n PHE 32 Cb 0.01 -0.04 0.29 0.00 -1.61 0.00 0.00 39.48 38.13 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 -0.39 0.04 0.07 3.97 -4.01 -1.26 -4.09 116.66 110.99 1ilf n ARG 33 Ca 0.01 0.01 0.03 0.00 -1.04 0.00 0.00 57.85 56.86 1ilf n ARG 33 Cb 0.34 -1.53 0.15 0.00 -3.04 0.00 0.00 32.46 28.38 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 -1.58 0.14 0.03 2.89 -0.08 -1.26 -2.73 116.55 113.96 1ilf n ASP 34 Ca 0.05 0.39 0.00 0.00 -1.51 0.00 0.00 54.79 53.73 1ilf n ASP 34 Cb 0.35 -0.36 0.00 0.00 2.34 0.00 0.00 41.12 43.45 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 -1.61 0.00 -2.96 -0.67 3.00 -1.26 -4.93 116.66 108.23 1ilf n ARG 35 Ca -0.00 0.00 -0.39 0.00 -0.01 0.00 0.00 57.85 57.45 1ilf n ARG 35 Cb 0.28 -0.23 -0.00 0.00 0.00 0.00 0.00 32.46 32.50 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 -3.04 4.36 0.38 5.56 -0.04 -1.22 -4.88 135.00 136.13 1ilf n PRO 36 Ca 0.00 -4.63 -0.19 0.00 -0.04 0.00 0.00 63.50 58.64 1ilf n PRO 36 Cb 0.00 -2.44 -0.10 0.00 -0.04 0.00 0.00 33.50 30.92 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 4.73 -1.37 -0.85 0.54 2.76 -1.82 0.89 115.15 120.03 1ilf h HIS 37 Ca 0.28 -0.00 0.25 0.00 -2.20 0.00 0.00 60.37 58.70 1ilf h HIS 37 Cb 0.53 0.51 -0.03 0.00 1.55 0.00 0.00 27.41 29.96 1ilf h HIS 37 CO 1.04 -0.72 0.81 0.93 -1.30 0.00 0.00 177.93 178.70 1ilf h GLU 38 N -1.14 0.00 0.18 5.26 5.08 -1.90 1.40 114.58 123.46 1ilf h GLU 38 Ca -0.09 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 57.92 1ilf h GLU 38 Cb 0.94 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.20 1ilf h GLU 38 CO 0.04 0.00 -1.71 1.49 -1.00 0.00 0.00 179.01 177.83 1ilf h GLU 39 N 0.00 0.38 -0.75 2.33 4.57 -1.65 -3.25 114.58 116.22 1ilf h GLU 39 Ca 0.40 -0.66 0.22 0.00 -1.18 0.00 0.00 59.36 58.14 1ilf h GLU 39 Cb 2.03 0.24 -0.03 0.00 -0.16 0.00 0.00 28.75 30.83 1ilf h GLU 39 CO -0.00 1.30 0.68 -0.09 -1.18 0.00 0.00 179.01 179.71 1ilf h ARG 40 N 0.10 0.00 -0.91 1.92 1.12 0.93 0.61 114.38 118.15 1ilf h ARG 40 Ca -0.32 0.00 0.13 0.00 -1.11 0.00 0.00 59.98 58.68 1ilf h ARG 40 Cb 2.09 0.00 -0.09 0.00 -0.01 0.00 0.00 29.97 31.97 1ilf h ARG 40 CO 0.18 0.00 0.53 -0.56 -3.11 0.00 0.00 179.97 177.01 1ilf h GLN 41 N 0.00 0.78 0.00 0.20 -0.00 -1.29 1.54 115.11 116.34 1ilf h GLN 41 Ca 0.36 -0.05 -0.25 0.00 -0.00 0.00 0.00 58.65 58.70 1ilf h GLN 41 Cb 1.71 -0.18 -0.04 0.00 -0.00 0.00 0.00 27.48 28.98 1ilf h GLN 41 CO -0.00 0.52 -1.40 1.15 -0.00 0.00 0.00 178.83 179.09 1ilf h THR 42 N 0.80 1.21 -0.41 1.86 2.02 -0.05 -2.28 112.91 116.06 1ilf h THR 42 Ca 0.47 -2.99 -0.10 0.00 0.77 0.00 0.00 66.41 64.56 1ilf h THR 42 Cb 0.56 2.59 -0.02 0.00 -1.74 0.00 0.00 68.15 69.55 1ilf h THR 42 CO -0.31 0.69 -0.16 0.03 0.37 0.00 0.00 175.52 176.14 1ilf h ARG 43 N 0.00 0.76 0.04 6.66 2.47 0.43 0.49 114.38 125.23 1ilf h ARG 43 Ca -0.17 -0.28 -0.08 0.00 -1.26 0.00 0.00 59.98 58.20 1ilf h ARG 43 Cb 1.90 -0.05 0.01 0.00 -1.65 0.00 0.00 29.97 30.18 1ilf h ARG 43 CO 0.10 0.88 -0.34 0.35 0.56 0.00 0.00 179.97 181.52 1ilf h PHE 44 N 0.68 0.26 0.00 3.04 3.57 0.20 0.12 116.94 124.82 1ilf h PHE 44 Ca 0.11 -0.17 -0.02 0.00 3.53 0.00 0.00 57.97 61.42 1ilf h PHE 44 Cb 0.65 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.37 1ilf h PHE 44 CO 0.03 1.07 -0.09 1.96 -2.23 0.00 0.00 178.31 179.05 1ilf h GLN 45 N -0.62 0.00 0.00 1.11 1.08 -1.37 0.12 115.11 115.43 1ilf h GLN 45 Ca -0.05 0.00 -0.15 0.00 -1.45 0.00 0.00 58.65 56.99 1ilf h GLN 45 Cb 1.19 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.60 1ilf h GLN 45 CO 0.06 0.09 -1.07 -0.97 -0.95 0.00 0.00 178.83 176.00 1ilf h ASN 46 N 0.00 0.00 0.45 1.46 -0.73 -0.02 -3.24 115.58 113.50 1ilf h ASN 46 Ca -0.00 0.00 -0.15 0.00 1.87 0.00 0.00 56.30 58.02 1ilf h ASN 46 Cb 0.20 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.78 1ilf h ASN 46 CO 0.01 0.61 -0.63 0.00 -0.37 0.00 0.00 177.43 177.05 1ilf h ALA 47 N 1.39 0.86 0.00 1.57 0.00 0.79 -1.98 119.26 121.89 1ilf h ALA 47 Ca -0.10 -0.56 -0.00 0.00 0.00 0.00 0.00 54.91 54.25 1ilf h ALA 47 Cb 1.55 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.25 1ilf h ALA 47 CO 0.06 0.75 -0.02 0.00 0.00 0.00 0.00 179.25 180.05 1ilf h ARG 49 N 0.00 0.00 -0.61 0.00 2.43 -1.40 -2.99 114.38 111.81 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 0.37 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 1ilf h ARG 49 CO 0.00 0.49 0.00 -0.25 -1.51 0.00 0.00 179.97 178.70 1ilf n ASP 50 N -3.39 3.97 -2.65 -3.80 8.00 -0.35 -4.49 116.55 113.85 1ilf n ASP 50 Ca 0.01 -2.17 -0.20 0.00 0.71 0.00 0.00 54.79 53.14 1ilf n ASP 50 Cb 0.65 -0.46 0.00 0.00 -0.02 0.00 0.00 41.12 41.29 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 1.18 -0.51 3.21 0.44 0.00 -0.72 -4.91 105.19 103.89 1ilf n GLY 51 Ca 0.22 0.04 -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 -5.30 0.33 0.17 1.61 0.52 -0.40 0.51 118.95 116.39 1ilf s ARG 52 Ca 0.11 0.76 -0.06 0.00 -0.52 0.00 0.00 55.73 56.03 1ilf s ARG 52 Cb -0.05 -0.00 -0.02 0.00 0.52 0.00 0.00 34.95 35.39 1ilf s ARG 52 CO 0.14 -0.18 0.21 -1.54 0.02 0.00 0.00 175.30 173.95 1ilf s SER 53 N 1.59 0.13 -0.27 0.23 1.04 -1.08 -4.18 113.70 111.16 1ilf s SER 53 Ca -0.08 -1.06 0.00 0.00 0.48 0.00 0.00 55.95 55.30 1ilf s SER 53 Cb -0.09 0.40 0.05 0.00 0.10 0.00 0.00 66.02 66.47 1ilf s SER 53 CO -0.12 -0.86 -0.07 -0.70 0.98 0.00 0.00 173.24 172.47 1ilf s GLU 54 N -4.03 2.47 0.03 4.02 2.12 -1.26 -1.80 118.70 120.26 1ilf s GLU 54 Ca 0.23 -1.21 0.08 0.00 0.36 0.00 0.00 54.97 54.43 1ilf s GLU 54 Cb 0.05 -2.98 -0.03 0.00 0.26 0.00 0.00 34.13 31.43 1ilf s GLU 54 CO 0.03 -0.53 -0.23 0.42 -0.54 0.00 0.00 175.26 174.41 1ilf s ILE 55 N 1.21 2.37 0.25 -3.70 -1.09 -0.48 -4.19 121.20 115.56 1ilf s ILE 55 Ca -0.05 -1.24 -0.04 0.00 -2.23 0.00 0.00 60.65 57.09 1ilf s ILE 55 Cb -0.19 -1.93 -0.05 0.00 -1.58 0.00 0.00 42.46 38.72 1ilf s ILE 55 CO -0.04 0.41 0.49 0.00 -1.23 0.00 0.00 174.94 174.58 1ilf s ALA 56 N -0.80 3.69 -0.19 9.38 0.00 0.16 -1.68 121.76 132.32 1ilf s ALA 56 Ca 0.12 -0.62 -0.02 0.00 0.00 0.00 0.00 51.96 51.44 1ilf s ALA 56 Cb -0.10 -2.21 -0.01 0.00 0.00 0.00 0.00 23.12 20.80 1ilf s ALA 56 CO 0.02 0.34 -0.08 0.12 0.00 0.00 0.00 175.76 176.16 1ilf s PHE 57 N -1.98 2.90 -0.11 0.00 2.19 -0.18 -1.93 117.98 118.88 1ilf s PHE 57 Ca 0.42 -0.87 0.20 0.00 0.33 0.00 0.00 56.93 57.01 1ilf s PHE 57 Cb -0.11 -2.00 0.42 0.00 -1.31 0.00 0.00 43.02 40.02 1ilf s PHE 57 CO 0.29 -0.44 1.61 0.28 1.83 0.00 0.00 175.22 178.79 1ilf h VAL 58 N 5.60 0.59 -0.59 3.12 2.07 -1.58 0.37 116.25 125.84 1ilf h VAL 58 Ca -0.37 -1.60 0.12 0.00 0.82 0.00 0.00 66.70 65.67 1ilf h VAL 58 Cb 1.18 2.11 -0.11 0.00 -1.52 0.00 0.00 31.29 32.95 1ilf h VAL 58 CO 0.60 0.30 -0.18 0.00 0.02 0.00 0.00 177.57 178.31 1ilf h ALA 59 N 1.69 0.33 0.00 1.67 0.00 -1.87 -3.29 119.26 117.80 1ilf h ALA 59 Ca -0.00 0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1ilf h ALA 59 Cb 1.09 0.50 0.00 0.00 0.00 0.00 0.00 17.79 19.38 1ilf h ALA 59 CO 0.04 -0.47 -0.31 0.25 0.00 0.00 0.00 179.25 178.77 1ilf n THR 60 N -5.42 0.00 -3.25 0.00 -2.24 -1.25 -5.04 114.28 97.09 1ilf n THR 60 Ca 0.06 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.69 1ilf n THR 60 Cb 0.32 0.69 0.07 0.00 -2.10 0.00 0.00 70.33 69.31 1ilf n THR 60 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ilf n GLY 61 N 0.00 -1.15 3.18 3.38 0.00 0.13 -5.01 105.19 105.71 1ilf n GLY 61 Ca 0.00 0.58 -0.33 0.00 0.00 0.00 0.00 46.02 46.27 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 -3.39 2.13 0.25 2.61 -1.32 -0.86 -4.88 115.64 110.17 1ilf s THR 62 Ca 0.45 -0.95 -0.30 0.00 -1.21 0.00 0.00 61.69 59.68 1ilf s THR 62 Cb -0.06 -1.86 -0.09 0.00 -1.51 0.00 0.00 72.50 68.98 1ilf s THR 62 CO 0.74 0.55 0.94 0.21 -2.21 0.00 0.00 174.62 174.85 1ilf s ASN 63 N 0.83 7.62 -0.02 8.08 2.47 -1.26 -1.01 114.94 131.66 1ilf s ASN 63 Ca -0.06 1.95 -0.04 0.00 0.42 0.00 0.00 52.86 55.12 1ilf s ASN 63 Cb -0.15 -2.61 0.00 0.00 -1.45 0.00 0.00 41.25 37.04 1ilf s ASN 63 CO -0.02 0.14 0.09 -0.76 -3.72 0.00 0.00 177.10 172.83 1ilf s LEU 64 N -1.24 1.69 -0.35 3.21 1.02 -0.68 -4.97 118.68 117.35 1ilf s LEU 64 Ca 0.42 -0.05 -0.02 0.00 0.02 0.00 0.00 54.13 54.49 1ilf s LEU 64 Cb -0.26 0.43 0.08 0.00 0.02 0.00 0.00 46.19 46.46 1ilf s LEU 64 CO 0.32 -0.20 0.10 -0.44 0.02 0.00 0.00 176.35 176.15 1ilf s SER 65 N -0.70 5.07 0.08 2.29 0.01 -1.26 -1.39 113.70 117.80 1ilf s SER 65 Ca -0.08 -1.69 0.01 0.00 1.31 0.00 0.00 55.95 55.50 1ilf s SER 65 Cb -0.05 -1.77 -0.04 0.00 0.21 0.00 0.00 66.02 64.38 1ilf s SER 65 CO 0.00 -0.40 0.22 -0.76 0.41 0.00 0.00 173.24 172.71 1ilf s LEU 66 N 1.18 4.33 -0.31 2.44 1.43 -0.74 -5.00 118.68 122.01 1ilf s LEU 66 Ca 0.02 0.24 0.03 0.00 -1.03 0.00 0.00 54.13 53.39 1ilf s LEU 66 Cb -0.21 -2.93 0.08 0.00 0.03 0.00 0.00 46.19 43.16 1ilf s LEU 66 CO -0.03 0.15 -0.01 -1.10 0.23 0.00 0.00 176.35 175.59 1ilf s GLN 67 N -2.65 1.87 -0.27 1.70 1.11 -1.26 -2.62 119.66 117.54 1ilf s GLN 67 Ca 0.35 -1.62 -0.05 0.00 0.01 0.00 0.00 55.36 54.05 1ilf s GLN 67 Cb -0.13 -3.10 0.01 0.00 -1.01 0.00 0.00 33.01 28.79 1ilf s GLN 67 CO 0.28 -0.78 0.01 -0.59 0.01 0.00 0.00 175.29 174.23 1ilf s PHE 68 N 1.02 3.09 0.06 0.91 -0.12 0.18 -3.55 117.98 119.57 1ilf s PHE 68 Ca 0.02 -1.16 -0.26 0.00 -0.05 0.00 0.00 56.93 55.48 1ilf s PHE 68 Cb -0.20 -2.17 0.07 0.00 -0.63 0.00 0.00 43.02 40.09 1ilf s PHE 68 CO -0.06 -0.62 0.61 -0.06 -0.05 0.00 0.00 175.22 175.04 1ilf s PHE 69 N 1.44 -0.55 -0.34 3.49 0.08 -1.26 -4.27 117.98 116.57 1ilf s PHE 69 Ca 0.02 0.63 -0.31 0.00 0.12 0.00 0.00 56.93 57.40 1ilf s PHE 69 Cb -0.17 0.45 -0.08 0.00 -0.57 0.00 0.00 43.02 42.65 1ilf s PHE 69 CO -0.01 -0.72 2.26 -0.35 -0.10 0.00 0.00 175.22 176.30 1ilf n PRO 70 N 0.25 1.40 -0.14 0.24 -0.04 -1.26 -4.80 135.00 130.64 1ilf n PRO 70 Ca -0.18 0.34 0.26 0.00 -0.04 0.00 0.00 63.50 63.88 1ilf n PRO 70 Cb 0.61 -2.90 0.70 0.00 -0.04 0.00 0.00 33.50 31.88 1ilf n PRO 70 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ilf h ALA 71 N 14.59 2.73 0.00 0.55 0.00 -1.99 0.58 119.26 135.72 1ilf h ALA 71 Ca -0.32 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1ilf h ALA 71 Cb 1.28 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1ilf h ALA 71 CO 1.03 -0.96 0.00 0.77 0.00 0.00 0.00 179.25 180.09 1ilf h SER 72 N 0.03 0.00 -3.15 0.00 0.02 -2.08 -3.42 113.55 104.95 1ilf h SER 72 Ca 0.39 0.00 -0.59 0.00 -0.84 0.00 0.00 61.79 60.74 1ilf h SER 72 Cb 1.51 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.99 1ilf h SER 72 CO -0.02 0.00 -0.18 0.26 -1.14 0.00 0.00 176.83 175.75 1ilf s TRP 73 N -3.62 3.64 -0.16 3.45 0.52 0.20 -4.97 118.94 118.01 1ilf s TRP 73 Ca -0.00 0.94 0.18 0.00 0.02 0.00 0.00 56.10 57.24 1ilf s TRP 73 Cb 0.09 -2.39 -0.26 0.00 -1.15 0.00 0.00 33.47 29.76 1ilf s TRP 73 CO 0.36 0.46 0.23 1.04 0.02 0.00 0.00 176.95 179.05 1ilf n GLN 74 N 2.55 0.68 0.00 4.98 3.00 -1.26 -4.90 117.38 122.42 1ilf n GLN 74 Ca -0.11 -0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.87 1ilf n GLN 74 Cb 0.52 -1.56 0.00 0.00 0.00 0.00 0.00 30.24 29.20 1ilf n GLN 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1ilf n GLY 75 N 1.64 -2.03 2.58 1.08 0.00 -1.26 -5.06 105.19 102.14 1ilf n GLY 75 Ca -0.26 0.97 -0.22 0.00 0.00 0.00 0.00 46.02 46.51 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 2.66 0.25 1.61 -0.58 -1.26 -4.86 120.64 118.46 1ilf n GLU 76 Ca 0.00 -4.18 0.18 0.00 -0.42 0.00 0.00 57.16 52.74 1ilf n GLU 76 Cb 0.00 -1.96 0.89 0.00 -0.57 0.00 0.00 31.44 29.80 1ilf n GLU 76 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 1ilf h GLN 77 N 2.78 0.00 -0.76 3.49 1.08 -2.01 -2.43 115.11 117.26 1ilf h GLN 77 Ca 0.16 0.00 0.17 0.00 -1.45 0.00 0.00 58.65 57.53 1ilf h GLN 77 Cb 0.92 0.00 -0.13 0.00 -0.05 0.00 0.00 27.48 28.21 1ilf h GLN 77 CO 0.73 0.00 -0.04 0.00 -0.95 0.00 0.00 178.83 178.58 1ilf h ARG 78 N 0.00 0.07 -7.13 1.46 2.47 -2.03 -3.41 114.38 105.82 1ilf h ARG 78 Ca 0.06 -0.00 -0.50 0.00 -1.26 0.00 0.00 59.98 58.28 1ilf h ARG 78 Cb 0.48 -0.02 0.05 0.00 -1.65 0.00 0.00 29.97 28.83 1ilf h ARG 78 CO -0.00 0.05 0.24 -0.65 0.56 0.00 0.00 179.97 180.17 1ilf s GLN 79 N -6.14 3.48 0.33 0.04 -0.21 -0.92 -5.07 119.66 111.18 1ilf s GLN 79 Ca -0.14 0.39 -0.20 0.00 0.02 0.00 0.00 55.36 55.44 1ilf s GLN 79 Cb 0.22 -2.24 -0.10 0.00 1.00 0.00 0.00 33.01 31.89 1ilf s GLN 79 CO 0.75 -0.41 0.83 -0.08 -2.12 0.00 0.00 175.29 174.26 1ilf s THR 80 N -2.95 4.49 0.47 -0.19 -1.32 -1.26 -5.01 115.64 109.87 1ilf s THR 80 Ca 0.51 1.33 -0.20 0.00 -1.21 0.00 0.00 61.69 62.12 1ilf s THR 80 Cb -0.11 -3.73 -0.12 0.00 -1.51 0.00 0.00 72.50 67.03 1ilf s THR 80 CO 0.49 -0.08 0.42 -0.81 -2.21 0.00 0.00 174.62 172.43 1ilf n PRO 81 N -0.05 0.45 -3.65 7.08 -0.04 -1.26 -4.98 135.00 132.54 1ilf n PRO 81 Ca 0.03 0.17 -0.24 0.00 -0.04 0.00 0.00 63.50 63.42 1ilf n PRO 81 Cb 0.52 -1.46 -0.02 0.00 -0.04 0.00 0.00 33.50 32.50 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 -1.02 6.32 0.00 3.54 0.15 -1.26 -4.98 113.70 116.45 1ilf s SER 82 Ca 0.64 0.31 0.18 0.00 0.70 0.00 0.00 55.95 57.78 1ilf s SER 82 Cb -0.55 -1.97 0.87 0.00 -1.71 0.00 0.00 66.02 62.67 1ilf s SER 82 CO 0.58 -0.17 1.57 0.54 1.20 0.00 0.00 173.24 176.97 1ilf n ARG 83 N -1.43 0.17 -0.01 5.44 1.74 -1.09 -1.26 116.66 120.22 1ilf n ARG 83 Ca -0.06 0.14 -0.11 0.00 -0.77 0.00 0.00 57.85 57.05 1ilf n ARG 83 Cb 0.56 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 30.45 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 0.13 0.00 5.56 5.08 -1.97 -3.31 114.58 120.07 1ilf h GLU 84 Ca 0.00 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1ilf h GLU 84 Cb 0.22 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 1ilf h GLU 84 CO 0.00 0.08 -1.54 0.66 -1.00 0.00 0.00 179.01 177.22 1ilf n TYR 85 N -5.03 0.00 -3.47 4.33 4.02 -1.20 -4.68 117.16 111.14 1ilf n TYR 85 Ca -0.05 0.00 -0.17 0.00 -0.01 0.00 0.00 57.90 57.67 1ilf n TYR 85 Cb 0.04 -0.28 -0.12 0.00 -0.02 0.00 0.00 39.34 38.95 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 -2.74 -0.36 0.07 -0.72 -7.23 -0.39 0.16 120.40 109.19 1ilf s VAL 86 Ca -0.04 -0.17 0.04 0.00 -1.81 0.00 0.00 61.98 60.00 1ilf s VAL 86 Cb 0.07 -0.74 -0.04 0.00 0.56 0.00 0.00 36.38 36.23 1ilf s VAL 86 CO 0.47 -0.24 -0.02 -0.62 -0.31 0.00 0.00 175.10 174.38 1ilf s ASP 87 N 2.35 4.91 -0.05 4.85 -1.08 -1.19 -2.67 116.67 123.79 1ilf s ASP 87 Ca 0.08 -0.17 0.05 0.00 -0.52 0.00 0.00 52.55 51.98 1ilf s ASP 87 Cb -0.16 -1.16 -0.07 0.00 -1.46 0.00 0.00 42.92 40.08 1ilf s ASP 87 CO -0.15 0.20 0.03 0.18 0.52 0.00 0.00 175.17 175.95 1ilf n LEU 88 N 0.82 0.00 -3.88 -1.34 7.99 -1.26 -4.25 117.00 115.08 1ilf n LEU 88 Ca -0.12 0.00 -0.16 0.00 -0.01 0.00 0.00 56.01 55.72 1ilf n LEU 88 Cb 0.52 0.12 -0.15 0.00 -0.11 0.00 0.00 43.42 43.80 1ilf n LEU 88 CO 0.37 0.12 -0.39 -0.70 -1.51 0.00 0.00 177.39 175.28 1ilf s GLU 89 N -2.17 0.36 0.00 3.23 2.12 -1.26 -4.86 118.70 116.12 1ilf s GLU 89 Ca -0.03 -0.04 0.00 0.00 0.36 0.00 0.00 54.97 55.26 1ilf s GLU 89 Cb 0.02 -0.43 0.00 0.00 0.26 0.00 0.00 34.13 33.98 1ilf s GLU 89 CO 0.23 -0.03 0.00 2.89 -0.54 0.00 0.00 175.26 177.81 1ilf n ARG 90 N 3.57 0.00 0.00 4.30 -4.01 -1.26 -5.12 116.66 114.14 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 0.54 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 29.96 1ilf n ARG 90 CO 0.00 0.00 0.00 0.39 -3.04 0.00 0.00 177.63 174.98 1ilf n GLU 91 N 0.00 0.00 -0.40 2.89 4.71 -1.26 -5.03 120.64 121.56 1ilf n GLU 91 Ca 0.00 0.00 -0.19 0.00 -0.01 0.00 0.00 57.16 56.96 1ilf n GLU 91 Cb 0.00 0.00 0.18 0.00 -1.01 0.00 0.00 31.44 30.61 1ilf n GLU 91 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1ilf n ALA 92 N -3.00 -3.27 -0.47 0.62 0.00 -1.26 -4.87 120.51 108.26 1ilf n ALA 92 Ca 0.00 -0.95 -0.02 0.00 0.00 0.00 0.00 53.44 52.47 1ilf n ALA 92 Cb 0.00 -0.09 0.25 0.00 0.00 0.00 0.00 19.45 19.61 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 -2.55 2.99 3.65 0.00 0.00 -1.26 -4.91 105.19 103.11 1ilf n GLY 93 Ca 0.09 -0.72 -0.30 0.00 0.00 0.00 0.00 46.02 45.09 1ilf n GLY 93 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ilf s LYS 94 N -2.34 2.06 -0.17 1.61 3.01 -1.26 -4.36 119.74 118.29 1ilf s LYS 94 Ca 0.41 -2.28 0.01 0.00 -1.01 0.00 0.00 55.97 53.10 1ilf s LYS 94 Cb 0.32 -1.19 0.02 0.00 -1.01 0.00 0.00 37.83 35.97 1ilf s LYS 94 CO 0.11 -0.37 -0.19 0.54 0.51 0.00 0.00 175.35 175.95 1ilf s VAL 95 N -3.00 1.93 -0.06 3.17 0.11 -0.90 -4.89 120.40 116.76 1ilf s VAL 95 Ca 0.15 -0.86 0.00 0.00 -2.93 0.00 0.00 61.98 58.35 1ilf s VAL 95 Cb 0.03 -1.75 -0.03 0.00 -1.53 0.00 0.00 36.38 33.10 1ilf s VAL 95 CO 0.09 0.52 -0.03 -0.72 -3.33 0.00 0.00 175.10 171.62 1ilf s TYR 96 N 1.27 3.04 0.05 1.54 -0.85 -1.26 -1.92 117.35 119.22 1ilf s TYR 96 Ca 0.03 0.09 0.01 0.00 -0.52 0.00 0.00 57.07 56.68 1ilf s TYR 96 Cb -0.13 -1.72 -0.03 0.00 0.38 0.00 0.00 41.96 40.46 1ilf s TYR 96 CO -0.11 0.41 -0.06 -0.48 -1.52 0.00 0.00 175.55 173.79 1ilf s LEU 97 N -1.02 2.32 -0.15 -3.49 -0.00 -0.76 -3.18 118.68 112.39 1ilf s LEU 97 Ca 0.14 -0.66 0.02 0.00 -0.00 0.00 0.00 54.13 53.64 1ilf s LEU 97 Cb -0.11 -0.03 0.01 0.00 -0.00 0.00 0.00 46.19 46.05 1ilf s LEU 97 CO 0.04 -0.32 -0.21 -0.54 -0.00 0.00 0.00 176.35 175.33 1ilf s LYS 98 N -2.15 3.05 -0.08 1.48 1.02 0.12 -2.17 119.74 121.01 1ilf s LYS 98 Ca -0.07 -0.83 0.03 0.00 0.02 0.00 0.00 55.97 55.12 1ilf s LYS 98 Cb -0.06 -2.48 0.01 0.00 -0.52 0.00 0.00 37.83 34.78 1ilf s LYS 98 CO -0.02 -0.03 -0.17 0.00 -0.92 0.00 0.00 175.35 174.21 1ilf s ALA 99 N 0.87 1.66 -0.34 5.17 0.00 -0.52 -4.36 121.76 124.26 1ilf s ALA 99 Ca -0.05 -0.67 -0.20 0.00 0.00 0.00 0.00 51.96 51.04 1ilf s ALA 99 Cb -0.15 -0.70 -0.00 0.00 0.00 0.00 0.00 23.12 22.27 1ilf s ALA 99 CO -0.03 0.15 0.60 -1.25 0.00 0.00 0.00 175.76 175.24 1ilf s PRO 100 N 0.59 3.75 0.35 0.00 0.04 -1.23 -0.59 135.00 137.91 1ilf s PRO 100 Ca -0.15 0.09 0.04 0.00 0.04 0.00 0.00 61.00 61.02 1ilf s PRO 100 Cb -0.16 -3.78 -0.05 0.00 0.04 0.00 0.00 34.50 30.54 1ilf s PRO 100 CO 0.05 -0.65 0.07 0.00 0.04 0.00 0.00 177.00 176.51 1ilf s MET 101 N 2.60 1.74 -0.47 4.56 0.23 0.18 -4.83 119.30 123.32 1ilf s MET 101 Ca 0.23 -2.00 -0.16 0.00 -1.03 0.00 0.00 55.69 52.74 1ilf s MET 101 Cb -0.15 -0.85 0.06 0.00 -1.53 0.00 0.00 34.83 32.36 1ilf s MET 101 CO 0.13 -0.26 0.40 0.42 -2.03 0.00 0.00 175.02 173.69 1ilf s ILE 102 N -3.25 5.21 0.07 3.16 -1.09 -1.26 -0.99 121.20 123.05 1ilf s ILE 102 Ca 0.32 -0.96 0.01 0.00 -2.23 0.00 0.00 60.65 57.80 1ilf s ILE 102 Cb 0.07 -4.11 -0.04 0.00 -1.58 0.00 0.00 42.46 36.80 1ilf s ILE 102 CO 0.15 -0.56 0.17 -0.76 -1.23 0.00 0.00 174.94 172.71 1ilf s LEU 103 N 1.73 4.16 0.00 2.97 1.43 -0.36 -4.82 118.68 123.79 1ilf s LEU 103 Ca 0.05 0.17 0.00 0.00 -1.03 0.00 0.00 54.13 53.32 1ilf s LEU 103 Cb -0.23 -2.79 0.00 0.00 0.03 0.00 0.00 46.19 43.20 1ilf s LEU 103 CO 0.08 0.16 0.00 0.59 0.23 0.00 0.00 176.35 177.41 1ilf n ASN 104 N 0.29 0.00 -4.21 2.29 3.02 -1.26 0.12 115.26 115.51 1ilf n ASN 104 Ca -0.06 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.13 1ilf n ASN 104 Cb 0.51 0.00 -0.05 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 -0.36 3.63 7.41 0.00 -1.26 -4.94 105.19 109.69 1ilf n GLY 105 Ca 0.00 0.23 -0.10 0.00 0.00 0.00 0.00 46.02 46.15 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 -4.08 0.00 -0.07 1.61 1.01 0.32 -3.56 120.40 115.63 1ilf s VAL 106 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 61.98 61.84 1ilf s VAL 106 Cb -0.09 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 35.26 1ilf s VAL 106 CO 0.98 0.00 1.20 0.00 0.00 0.00 0.00 175.10 177.28 1ilf s VAL 108 N 2.37 0.64 -0.02 0.00 -7.23 -0.16 -1.72 120.40 114.28 1ilf s VAL 108 Ca 0.55 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.67 1ilf s VAL 108 Cb -0.24 -2.63 0.00 0.00 0.56 0.00 0.00 36.38 34.08 1ilf s VAL 108 CO 0.21 0.00 0.11 -0.63 -0.31 0.00 0.00 175.10 174.48 1ilf s ILE 109 N -3.60 0.04 -0.17 -0.62 1.01 0.22 -0.65 121.20 117.43 1ilf s ILE 109 Ca 0.36 -0.36 0.01 0.00 0.00 0.00 0.00 60.65 60.66 1ilf s ILE 109 Cb 0.07 -0.28 0.03 0.00 0.01 0.00 0.00 42.46 42.30 1ilf s ILE 109 CO 0.15 -0.20 -0.11 0.86 0.00 0.00 0.00 174.94 175.64 1ilf s TRP 110 N -0.64 2.25 -0.07 3.97 -0.00 0.24 0.33 118.94 125.02 1ilf s TRP 110 Ca -0.07 -1.40 0.04 0.00 -0.00 0.00 0.00 56.10 54.67 1ilf s TRP 110 Cb -0.04 -1.59 -0.02 0.00 -0.00 0.00 0.00 33.47 31.82 1ilf s TRP 110 CO 0.01 -0.70 -0.20 0.21 -0.00 0.00 0.00 176.95 176.27 1ilf s LYS 111 N 1.45 2.73 -0.25 5.86 2.36 -0.29 -1.44 119.74 130.17 1ilf s LYS 111 Ca 0.01 -0.81 -0.31 0.00 -2.55 0.00 0.00 55.97 52.31 1ilf s LYS 111 Cb -0.15 -2.32 0.17 0.00 -1.05 0.00 0.00 37.83 34.48 1ilf s LYS 111 CO -0.09 0.40 1.28 0.20 1.55 0.00 0.00 175.35 178.69 1ilf s GLY 112 N -0.19 -0.07 0.17 5.54 0.00 -0.92 -0.10 107.32 111.75 1ilf s GLY 112 Ca -0.02 2.39 0.08 0.00 0.00 0.00 0.00 44.72 47.17 1ilf s GLY 112 CO 0.03 0.94 -0.07 0.66 0.00 0.00 0.00 173.10 174.67 1ilf s TRP 113 N -1.40 2.72 0.09 1.90 1.48 0.44 -1.83 118.94 122.33 1ilf s TRP 113 Ca 0.08 -0.18 0.06 0.00 -1.06 0.00 0.00 56.10 55.00 1ilf s TRP 113 Cb -0.01 -1.34 -0.03 0.00 -1.16 0.00 0.00 33.47 30.93 1ilf s TRP 113 CO -0.05 0.50 -0.17 0.96 -4.06 0.00 0.00 176.95 174.13 1ilf s ILE 114 N -1.63 1.38 0.06 0.66 -0.00 -0.81 -1.57 121.20 119.29 1ilf s ILE 114 Ca 0.25 -1.41 -0.25 0.00 -0.00 0.00 0.00 60.65 59.24 1ilf s ILE 114 Cb -0.09 -1.29 -0.06 0.00 -0.00 0.00 0.00 42.46 41.02 1ilf s ILE 114 CO 0.16 -0.15 0.76 1.51 -0.00 0.00 0.00 174.94 177.22 1ilf s ASP 115 N -1.82 7.24 0.00 4.36 1.47 -0.63 -2.12 116.67 125.17 1ilf s ASP 115 Ca 0.02 1.48 0.00 0.00 1.18 0.00 0.00 52.55 55.22 1ilf s ASP 115 Cb -0.10 -2.47 0.00 0.00 -0.34 0.00 0.00 42.92 40.01 1ilf s ASP 115 CO 0.03 0.05 0.30 0.18 0.68 0.00 0.00 175.17 176.41 1ilf n LEU 116 N 2.60 0.01 0.01 2.11 4.77 -1.26 0.27 117.00 125.51 1ilf n LEU 116 Ca -0.03 -0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 55.94 1ilf n LEU 116 Cb 0.50 -0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.58 1ilf n LEU 116 CO 0.47 0.00 -0.03 1.57 -1.33 0.00 0.00 177.39 178.07 1ilf n HIS 117 N -0.48 0.00 0.45 -1.77 -0.00 -1.26 -4.81 115.22 107.35 1ilf n HIS 117 Ca 0.00 0.00 0.12 0.00 0.46 0.00 0.00 57.72 58.30 1ilf n HIS 117 Cb 0.00 -0.02 0.12 0.00 -0.12 0.00 0.00 29.99 29.97 1ilf n HIS 117 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1ilf h ARG 118 N -0.04 0.00 -3.76 1.57 3.08 -1.99 -3.48 114.38 109.75 1ilf h ARG 118 Ca 0.00 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 59.77 1ilf h ARG 118 Cb 0.04 0.00 0.07 0.00 0.08 0.00 0.00 29.97 30.16 1ilf h ARG 118 CO 0.00 0.00 -0.45 1.28 -1.07 0.00 0.00 179.97 179.73 1ilf n LEU 119 N -2.26 -2.63 -4.25 3.04 4.77 0.14 -4.67 117.00 111.13 1ilf n LEU 119 Ca 0.02 -0.28 -0.28 0.00 -0.03 0.00 0.00 56.01 55.45 1ilf n LEU 119 Cb 0.47 -2.25 -0.15 0.00 -2.33 0.00 0.00 43.42 39.16 1ilf n LEU 119 CO 0.37 0.30 -0.54 -1.81 -1.33 0.00 0.00 177.39 174.38 1ilf s ASP 120 N -2.99 2.62 0.00 -1.43 1.11 -1.25 -1.18 116.67 113.54 1ilf s ASP 120 Ca 0.30 -0.45 0.00 0.00 0.18 0.00 0.00 52.55 52.59 1ilf s ASP 120 Cb -0.13 -0.27 0.00 0.00 1.07 0.00 0.00 42.92 43.59 1ilf s ASP 120 CO 0.37 0.24 0.00 0.61 1.18 0.00 0.00 175.17 177.58 1ilf n GLY 121 N 2.30 2.31 2.83 0.21 0.00 -0.52 -1.61 105.19 110.71 1ilf n GLY 121 Ca -0.16 0.13 -0.15 0.00 0.00 0.00 0.00 46.02 45.84 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 3.95 0.15 0.36 1.61 1.75 -0.61 -2.11 119.30 124.40 1ilf s MET 122 Ca 0.00 0.07 0.02 0.00 -1.25 0.00 0.00 55.69 54.53 1ilf s MET 122 Cb 0.00 -0.31 -0.01 0.00 2.84 0.00 0.00 34.83 37.36 1ilf s MET 122 CO 0.00 -0.10 0.06 0.41 -0.65 0.00 0.00 175.02 174.75 1ilf n GLY 123 N 3.84 3.55 3.61 2.11 0.00 -0.84 -0.42 105.19 117.03 1ilf n GLY 123 Ca -0.23 -2.20 -0.04 0.00 0.00 0.00 0.00 46.02 43.55 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 -1.79 3.46 0.08 0.00 1.43 -0.82 -1.13 118.68 119.91 1ilf s LEU 125 Ca 0.08 -0.41 -0.13 0.00 -1.03 0.00 0.00 54.13 52.64 1ilf s LEU 125 Cb -0.01 -2.03 0.02 0.00 0.03 0.00 0.00 46.19 44.20 1ilf s LEU 125 CO -0.05 0.02 0.31 -0.70 0.23 0.00 0.00 176.35 176.16 1ilf s GLU 126 N -3.45 0.90 -0.07 1.70 2.12 0.15 -4.19 118.70 115.85 1ilf s GLU 126 Ca 0.31 -0.67 -0.00 0.00 0.36 0.00 0.00 54.97 54.96 1ilf s GLU 126 Cb -0.08 0.38 -0.03 0.00 0.26 0.00 0.00 34.13 34.66 1ilf s GLU 126 CO 0.21 -0.31 -0.03 0.12 -0.54 0.00 0.00 175.26 174.71 1ilf s PHE 127 N -3.24 3.05 -0.37 5.30 2.19 -1.26 0.71 117.98 124.35 1ilf s PHE 127 Ca -0.00 0.11 -0.21 0.00 0.33 0.00 0.00 56.93 57.15 1ilf s PHE 127 Cb 0.01 -1.74 0.01 0.00 -1.31 0.00 0.00 43.02 39.99 1ilf s PHE 127 CO -0.08 0.41 0.69 0.34 1.83 0.00 0.00 175.22 178.41 1ilf s ASP 128 N -0.90 6.45 0.23 6.13 2.15 -0.70 -4.88 116.67 125.16 1ilf s ASP 128 Ca 0.13 0.14 0.20 0.00 0.43 0.00 0.00 52.55 53.45 1ilf s ASP 128 Cb -0.11 -2.35 0.05 0.00 -0.30 0.00 0.00 42.92 40.21 1ilf s ASP 128 CO 0.02 -0.68 1.18 -0.33 -0.17 0.00 0.00 175.17 175.20 1ilf h GLU 129 N 8.55 0.00 0.55 4.34 5.08 -1.98 -2.83 114.58 128.29 1ilf h GLU 129 Ca -0.26 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.08 1ilf h GLU 129 Cb 1.10 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.36 1ilf h GLU 129 CO 0.87 0.16 -0.27 0.93 -1.00 0.00 0.00 179.01 179.71 1ilf h GLU 130 N 0.00 -0.71 -0.18 2.33 5.08 -2.00 -3.09 114.58 116.00 1ilf h GLU 130 Ca -0.04 0.05 -0.13 0.00 -1.00 0.00 0.00 59.36 58.23 1ilf h GLU 130 Cb 1.21 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.61 1ilf h GLU 130 CO 0.02 -0.48 -0.46 -0.09 -1.00 0.00 0.00 179.01 177.01 1ilf h ARG 131 N -1.15 0.46 -0.82 2.33 2.43 -2.00 -3.00 114.38 112.63 1ilf h ARG 131 Ca -0.08 -0.25 0.21 0.00 -0.81 0.00 0.00 59.98 59.05 1ilf h ARG 131 Cb 0.57 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 30.08 1ilf h ARG 131 CO 0.12 0.83 0.57 0.00 -1.51 0.00 0.00 179.97 179.98 1ilf h ALA 132 N 1.13 2.45 -0.16 2.80 0.00 -1.59 0.84 119.26 124.74 1ilf h ALA 132 Ca 0.02 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.73 1ilf h ALA 132 Cb 0.95 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1ilf h ALA 132 CO 0.08 -0.69 -0.69 1.96 0.00 0.00 0.00 179.25 179.91 1ilf h GLN 133 N 0.21 0.64 -0.27 0.00 4.20 -1.43 -3.12 115.11 115.34 1ilf h GLN 133 Ca 0.41 -0.48 -0.02 0.00 0.06 0.00 0.00 58.65 58.61 1ilf h GLN 133 Cb 1.28 0.09 -0.01 0.00 0.30 0.00 0.00 27.48 29.13 1ilf h GLN 133 CO -0.09 1.10 0.06 1.96 -0.67 0.00 0.00 178.83 181.20 1ilf h GLN 134 N 0.46 0.38 -0.89 1.46 1.08 -0.91 -1.78 115.11 114.91 1ilf h GLN 134 Ca -0.02 -0.05 0.18 0.00 -1.45 0.00 0.00 58.65 57.31 1ilf h GLN 134 Cb 1.28 -0.07 -0.11 0.00 -0.05 0.00 0.00 27.48 28.53 1ilf h GLN 134 CO 0.13 0.36 0.44 0.93 -0.95 0.00 0.00 178.83 179.74 1ilf h GLU 135 N 0.38 0.53 -0.42 1.46 4.39 -1.40 1.01 114.58 120.53 1ilf h GLU 135 Ca 0.09 -0.03 -0.11 0.00 0.34 0.00 0.00 59.36 59.65 1ilf h GLU 135 Cb 0.15 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.67 1ilf h GLU 135 CO -0.00 0.35 -0.19 -0.44 -1.16 0.00 0.00 179.01 177.56 1ilf h ASP 136 N 0.54 0.83 0.05 1.42 3.32 -1.46 0.50 116.42 121.63 1ilf h ASP 136 Ca 0.52 -0.29 -0.00 0.00 0.02 0.00 0.00 57.03 57.27 1ilf h ASP 136 Cb 0.86 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 40.18 1ilf h ASP 136 CO -0.43 1.01 -0.03 0.00 -1.72 0.00 0.00 179.24 178.07 1ilf h ALA 137 N 1.06 -0.07 -0.43 3.45 0.00 0.51 0.48 119.26 124.25 1ilf h ALA 137 Ca 0.10 -0.16 -0.14 0.00 0.00 0.00 0.00 54.91 54.71 1ilf h ALA 137 Cb 0.71 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1ilf h ALA 137 CO 0.05 -0.38 -0.29 -0.07 0.00 0.00 0.00 179.25 178.56 1ilf h LEU 138 N -0.39 0.99 -0.99 0.00 3.38 0.73 -2.66 115.31 116.36 1ilf h LEU 138 Ca -0.01 -0.41 -0.04 0.00 0.09 0.00 0.00 57.88 57.52 1ilf h LEU 138 Cb 0.35 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1ilf h LEU 138 CO 0.01 1.20 -0.19 0.00 0.09 0.00 0.00 178.44 179.55 1ilf h ALA 139 N 0.86 0.99 -3.23 1.53 0.00 0.01 -3.39 119.26 116.03 1ilf h ALA 139 Ca 0.09 -0.17 -0.57 0.00 0.00 0.00 0.00 54.91 54.26 1ilf h ALA 139 Cb 0.87 -0.03 -0.40 0.00 0.00 0.00 0.00 17.79 18.23 1ilf h ALA 139 CO 0.08 0.23 -0.76 -0.65 0.00 0.00 0.00 179.25 178.15 1ilf s GLN 140 N -3.56 0.79 0.00 0.00 -1.52 0.17 -4.54 119.66 111.00 1ilf s GLN 140 Ca 0.01 -0.92 0.24 0.00 -1.95 0.00 0.00 55.36 52.74 1ilf s GLN 140 Cb 0.09 -2.08 0.22 0.00 -0.22 0.00 0.00 33.01 31.02 1ilf s GLN 140 CO 0.63 -0.87 1.27 1.04 -0.25 0.00 0.00 175.29 177.11