#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ilf s PRO 2 N 0.00 3.31 0.08 0.03 0.04 -1.26 -4.90 135.00 132.30 1ilf s PRO 2 Ca 0.00 1.21 -0.28 0.00 0.04 0.00 0.00 61.00 61.97 1ilf s PRO 2 Cb 0.00 -4.18 -0.17 0.00 0.04 0.00 0.00 34.50 30.19 1ilf s PRO 2 CO 0.00 -1.89 1.67 -0.09 0.04 0.00 0.00 177.00 176.73 1ilf h ARG 3 N 12.57 -0.47 -5.23 4.56 2.43 -1.98 -3.42 114.38 122.84 1ilf h ARG 3 Ca -0.31 0.03 -0.66 0.00 -0.81 0.00 0.00 59.98 58.23 1ilf h ARG 3 Cb 1.15 0.11 -0.27 0.00 -0.42 0.00 0.00 29.97 30.54 1ilf h ARG 3 CO 1.07 -0.31 -0.76 0.14 -1.51 0.00 0.00 179.97 178.60 1ilf s VAL 4 N -6.08 3.10 0.38 0.20 -7.23 -1.26 -3.05 120.40 106.45 1ilf s VAL 4 Ca -0.15 -0.63 -0.16 0.00 -1.81 0.00 0.00 61.98 59.23 1ilf s VAL 4 Cb 0.05 -2.33 -0.09 0.00 0.56 0.00 0.00 36.38 34.57 1ilf s VAL 4 CO 0.64 0.50 0.82 0.68 -0.31 0.00 0.00 175.10 177.43 1ilf s VAL 5 N 0.65 4.61 0.12 1.32 -7.23 -1.08 -4.95 120.40 113.85 1ilf s VAL 5 Ca -0.06 1.06 -0.04 0.00 -1.81 0.00 0.00 61.98 61.13 1ilf s VAL 5 Cb -0.15 -3.63 0.20 0.00 0.56 0.00 0.00 36.38 33.35 1ilf s VAL 5 CO 0.02 -0.32 0.70 -2.65 -0.31 0.00 0.00 175.10 172.55 1ilf n PRO 6 N -0.69 -0.04 -3.75 4.82 -0.02 -1.26 -2.09 135.00 131.97 1ilf n PRO 6 Ca 0.05 0.70 -0.29 0.00 -2.02 0.00 0.00 63.50 61.94 1ilf n PRO 6 Cb 0.54 -1.05 -0.13 0.00 -0.02 0.00 0.00 33.50 32.84 1ilf n PRO 6 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1ilf s ASP 7 N -5.12 3.73 0.17 2.55 1.11 -1.26 -4.95 116.67 112.90 1ilf s ASP 7 Ca -0.07 -2.96 -0.14 0.00 0.18 0.00 0.00 52.55 49.56 1ilf s ASP 7 Cb 0.12 -1.18 0.06 0.00 1.07 0.00 0.00 42.92 43.00 1ilf s ASP 7 CO 0.35 -0.22 1.84 1.56 1.18 0.00 0.00 175.17 179.88 1ilf h GLN 8 N 6.33 0.70 0.00 8.23 7.50 -1.72 0.28 115.11 136.43 1ilf h GLN 8 Ca 0.04 -0.04 -0.02 0.00 0.50 0.00 0.00 58.65 59.12 1ilf h GLN 8 Cb 0.89 -0.16 -0.00 0.00 0.05 0.00 0.00 27.48 28.26 1ilf h GLN 8 CO 0.55 0.47 -0.11 0.00 -1.50 0.00 0.00 178.83 178.23 1ilf h ARG 9 N 0.72 0.00 -0.85 1.46 3.08 -1.92 -1.65 114.38 115.21 1ilf h ARG 9 Ca 0.19 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.23 1ilf h ARG 9 Cb -0.08 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 29.93 1ilf h ARG 9 CO -0.04 0.11 0.49 0.77 -1.07 0.00 0.00 179.97 180.23 1ilf h SER 10 N 0.00 1.04 0.33 7.04 0.02 -1.34 0.59 113.55 121.22 1ilf h SER 10 Ca -0.00 -0.07 -0.33 0.00 -0.84 0.00 0.00 61.79 60.55 1ilf h SER 10 Cb 0.36 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.64 1ilf h SER 10 CO 0.01 0.81 -1.63 0.11 -1.14 0.00 0.00 176.83 175.00 1ilf h LYS 11 N 1.18 0.33 0.00 3.45 6.56 -1.29 0.51 116.57 127.32 1ilf h LYS 11 Ca 0.30 -0.57 -0.01 0.00 -1.06 0.00 0.00 60.65 59.31 1ilf h LYS 11 Cb -0.01 0.21 -0.00 0.00 -0.57 0.00 0.00 32.23 31.86 1ilf h LYS 11 CO -0.05 1.22 -0.03 0.35 -2.06 0.00 0.00 179.45 178.88 1ilf h PHE 12 N 0.09 0.00 0.00 -1.35 3.04 -1.13 0.50 116.94 118.09 1ilf h PHE 12 Ca -0.29 0.00 -0.31 0.00 3.98 0.00 0.00 57.97 61.35 1ilf h PHE 12 Cb 2.07 0.00 -0.06 0.00 2.56 0.00 0.00 35.95 40.52 1ilf h PHE 12 CO 0.08 0.03 -2.32 -1.91 -2.02 0.00 0.00 178.31 172.17 1ilf n GLU 13 N -3.15 0.68 -0.07 1.11 4.07 0.20 -4.37 120.64 119.12 1ilf n GLU 13 Ca 0.00 -0.04 -0.06 0.00 -0.06 0.00 0.00 57.16 57.00 1ilf n GLU 13 Cb 0.30 -1.52 -0.14 0.00 -0.06 0.00 0.00 31.44 30.02 1ilf n GLU 13 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 1ilf n ASN 14 N -2.67 0.71 -4.75 4.31 2.85 0.17 -4.93 115.26 110.95 1ilf n ASN 14 Ca -0.28 0.00 -0.41 0.00 -0.11 0.00 0.00 54.58 53.78 1ilf n ASN 14 Cb 1.06 1.07 -0.02 0.00 1.24 0.00 0.00 39.78 43.14 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 0.41 0.17 -4.91 118.70 117.24 1ilf s GLU 15 Ca -0.08 2.40 0.00 0.00 -0.41 0.00 0.00 54.97 56.88 1ilf s GLU 15 Cb 0.06 -3.06 0.00 0.00 -1.78 0.00 0.00 34.13 29.35 1ilf s GLU 15 CO 0.72 -0.46 0.39 -0.85 -0.49 0.00 0.00 175.26 174.57 1ilf n GLU 16 N 1.83 0.00 -0.33 1.61 0.00 -1.26 0.27 120.64 122.76 1ilf n GLU 16 Ca 0.05 0.00 0.15 0.00 0.00 0.00 0.00 57.16 57.37 1ilf n GLU 16 Cb 0.40 -0.89 0.35 0.00 0.00 0.00 0.00 31.44 31.29 1ilf n GLU 16 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.13 177.48 1ilf h PHE 17 N 0.00 0.90 -0.10 -1.84 3.04 -1.97 1.63 116.94 118.59 1ilf h PHE 17 Ca 0.00 0.04 -0.01 0.00 3.98 0.00 0.00 57.97 61.98 1ilf h PHE 17 Cb 0.00 -0.25 -0.01 0.00 2.56 0.00 0.00 35.95 38.26 1ilf h PHE 17 CO 0.00 0.05 0.01 0.35 -2.02 0.00 0.00 178.31 176.70 1ilf h PHE 18 N 0.54 0.14 0.00 0.41 3.04 -1.90 0.44 116.94 119.62 1ilf h PHE 18 Ca 0.60 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.55 1ilf h PHE 18 Cb 1.11 -0.04 0.00 0.00 2.56 0.00 0.00 35.95 39.58 1ilf h PHE 18 CO -0.05 0.14 -0.07 0.00 -2.02 0.00 0.00 178.31 176.31 1ilf h ARG 19 N 0.14 0.00 -1.41 1.11 2.47 0.65 0.53 114.38 117.86 1ilf h ARG 19 Ca 0.04 0.00 0.42 0.00 -1.26 0.00 0.00 59.98 59.18 1ilf h ARG 19 Cb 0.09 0.00 -0.08 0.00 -1.65 0.00 0.00 29.97 28.32 1ilf h ARG 19 CO 0.00 0.00 0.98 0.87 0.56 0.00 0.00 179.97 182.38 1ilf h LYS 20 N -0.78 0.08 0.11 0.04 1.57 0.76 0.94 116.57 119.28 1ilf h LYS 20 Ca 0.00 -0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.42 1ilf h LYS 20 Cb 0.07 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 1ilf h LYS 20 CO 0.00 0.05 -1.92 -0.07 -0.57 0.00 0.00 179.45 176.94 1ilf h LEU 21 N 0.08 0.36 -1.09 2.94 3.38 -0.21 -3.33 115.31 117.44 1ilf h LEU 21 Ca 0.74 -0.79 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1ilf h LEU 21 Cb 2.65 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 43.28 1ilf h LEU 21 CO -0.16 1.70 0.29 -1.28 0.09 0.00 0.00 178.44 179.08 1ilf h SER 22 N 0.06 0.00 -3.17 -0.43 0.87 0.62 -2.21 113.55 109.30 1ilf h SER 22 Ca -0.39 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.17 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 0.10 0.00 0.00 0.54 -0.53 0.00 0.00 176.83 176.94 1ilf n ARG 23 N -2.20 1.61 -3.92 2.24 5.12 -0.47 -3.74 116.66 115.30 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 0.31 0.00 -0.12 0.00 -1.16 0.00 0.00 32.46 31.49 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 -0.36 3.65 0.00 5.56 8.01 -1.26 -2.06 118.70 132.24 1ilf s GLU 24 Ca 0.00 -0.49 -0.15 0.00 0.01 0.00 0.00 54.97 54.33 1ilf s GLU 24 Cb 0.00 -3.19 0.02 0.00 -4.31 0.00 0.00 34.13 26.65 1ilf s GLU 24 CO 0.00 -0.06 0.33 0.00 0.01 0.00 0.00 175.26 175.53 1ilf n GLU 26 N 1.01 0.20 -4.24 0.00 1.02 -1.26 -1.98 120.64 115.39 1ilf n GLU 26 Ca -0.20 0.07 -0.13 0.00 -0.02 0.00 0.00 57.16 56.87 1ilf n GLU 26 Cb 0.57 -1.13 -0.10 0.00 -0.02 0.00 0.00 31.44 30.76 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 -1.11 0.68 0.19 -3.67 -4.36 -0.18 -1.54 121.20 111.21 1ilf s ILE 27 Ca 0.63 -1.98 -0.14 0.00 -0.26 0.00 0.00 60.65 58.89 1ilf s ILE 27 Cb -0.85 -2.12 0.01 0.00 1.25 0.00 0.00 42.46 40.76 1ilf s ILE 27 CO 0.57 -0.48 0.44 -0.54 0.24 0.00 0.00 174.94 175.18 1ilf s LYS 28 N -3.91 1.32 -0.35 0.37 1.02 -0.80 -1.57 119.74 115.81 1ilf s LYS 28 Ca 0.24 -1.00 -0.21 0.00 0.02 0.00 0.00 55.97 55.02 1ilf s LYS 28 Cb 0.06 0.47 0.00 0.00 -0.52 0.00 0.00 37.83 37.84 1ilf s LYS 28 CO 0.04 -0.54 0.67 -0.47 -0.92 0.00 0.00 175.35 174.13 1ilf s TYR 29 N -3.92 3.15 -0.45 3.18 5.04 -0.35 0.36 117.35 124.37 1ilf s TYR 29 Ca 0.13 0.41 0.06 0.00 -2.44 0.00 0.00 57.07 55.22 1ilf s TYR 29 Cb 0.00 -3.18 0.21 0.00 0.35 0.00 0.00 41.96 39.34 1ilf s TYR 29 CO -0.01 -0.64 0.58 0.25 -1.34 0.00 0.00 175.55 174.39 1ilf n THR 30 N 5.61 -0.58 0.00 4.34 -2.24 -1.26 -4.90 114.28 115.25 1ilf n THR 30 Ca -0.00 -2.64 0.00 0.00 -2.27 0.00 0.00 64.05 59.14 1ilf n THR 30 Cb 0.48 -0.52 0.00 0.00 -2.10 0.00 0.00 70.33 68.20 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 2.29 0.00 1.37 3.38 0.00 -1.26 -4.70 105.19 106.27 1ilf n GLY 31 Ca 0.21 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.25 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 -0.87 1.54 0.82 1.61 -1.74 -1.26 -4.42 117.46 113.14 1ilf n PHE 32 Ca 0.00 -1.07 0.12 0.00 -0.56 0.00 0.00 57.45 55.94 1ilf n PHE 32 Cb 0.00 -0.47 0.24 0.00 1.52 0.00 0.00 39.48 40.76 1ilf n PHE 32 CO 0.00 0.00 0.00 2.89 -0.56 0.00 0.00 176.76 179.09 1ilf n ARG 33 N -0.38 0.12 0.00 3.97 0.00 -1.26 -3.98 116.66 115.14 1ilf n ARG 33 Ca 0.30 0.03 0.00 0.00 -0.00 0.00 0.00 57.85 58.18 1ilf n ARG 33 Cb 1.10 -1.58 0.00 0.00 -0.00 0.00 0.00 32.46 31.98 1ilf n ARG 33 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.63 177.23 1ilf n ASP 34 N -1.76 0.00 0.01 2.89 5.75 -1.26 -2.58 116.55 119.60 1ilf n ASP 34 Ca 0.05 0.41 0.00 0.00 -0.01 0.00 0.00 54.79 55.23 1ilf n ASP 34 Cb 0.38 -0.41 0.00 0.00 -1.03 0.00 0.00 41.12 40.06 1ilf n ASP 34 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1ilf n ARG 35 N -1.40 0.00 -2.28 0.11 3.00 -1.26 -4.92 116.66 109.91 1ilf n ARG 35 Ca 0.00 0.00 -0.35 0.00 -0.01 0.00 0.00 57.85 57.49 1ilf n ARG 35 Cb 0.06 -0.05 0.02 0.00 0.00 0.00 0.00 32.46 32.49 1ilf n ARG 35 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 1ilf n PRO 36 N -2.61 3.33 -0.22 5.56 -0.04 -1.25 -4.88 135.00 134.89 1ilf n PRO 36 Ca 0.00 -4.10 -0.10 0.00 -0.04 0.00 0.00 63.50 59.26 1ilf n PRO 36 Cb 0.00 -2.28 -0.08 0.00 -0.04 0.00 0.00 33.50 31.10 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 3.00 -1.43 -0.45 0.54 2.76 -1.75 1.84 115.15 119.65 1ilf h HIS 37 Ca 0.44 0.08 0.13 0.00 -2.20 0.00 0.00 60.37 58.82 1ilf h HIS 37 Cb 0.40 0.70 -0.02 0.00 1.55 0.00 0.00 27.41 30.04 1ilf h HIS 37 CO 1.05 -0.34 0.49 0.93 -1.30 0.00 0.00 177.93 178.76 1ilf h GLU 38 N -0.15 0.00 0.11 5.26 5.08 -1.90 0.89 114.58 123.87 1ilf h GLU 38 Ca 0.09 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.14 1ilf h GLU 38 Cb 0.40 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 1ilf h GLU 38 CO -0.61 0.00 -1.59 1.49 -1.00 0.00 0.00 179.01 177.30 1ilf h GLU 39 N 0.00 0.23 -0.16 2.33 4.81 0.12 -3.24 114.58 118.66 1ilf h GLU 39 Ca 0.21 -0.39 0.05 0.00 -0.13 0.00 0.00 59.36 59.10 1ilf h GLU 39 Cb 1.20 0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.71 1ilf h GLU 39 CO -0.00 1.07 0.25 -0.09 -0.73 0.00 0.00 179.01 179.50 1ilf h ARG 40 N 0.06 0.00 -0.91 1.92 2.43 0.98 0.37 114.38 119.24 1ilf h ARG 40 Ca -0.26 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.90 1ilf h ARG 40 Cb 2.02 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 31.52 1ilf h ARG 40 CO 0.15 0.00 0.54 -0.56 -1.51 0.00 0.00 179.97 178.58 1ilf h GLN 41 N 0.00 1.24 0.08 0.20 -0.00 -1.30 1.61 115.11 116.95 1ilf h GLN 41 Ca 0.08 -0.12 -0.30 0.00 -0.00 0.00 0.00 58.65 58.31 1ilf h GLN 41 Cb 0.57 -0.26 -0.02 0.00 -0.00 0.00 0.00 27.48 27.78 1ilf h GLN 41 CO -0.00 0.88 -1.54 1.15 -0.00 0.00 0.00 178.83 179.32 1ilf h THR 42 N 1.26 1.12 0.00 1.86 2.02 -0.65 -2.58 112.91 115.93 1ilf h THR 42 Ca 0.32 -2.82 -0.04 0.00 0.77 0.00 0.00 66.41 64.65 1ilf h THR 42 Cb -0.04 2.69 -0.01 0.00 -1.74 0.00 0.00 68.15 69.05 1ilf h THR 42 CO -0.06 0.78 -0.19 -0.09 0.37 0.00 0.00 175.52 176.33 1ilf h ARG 43 N 0.05 0.00 0.21 6.66 2.43 0.07 0.83 114.38 124.63 1ilf h ARG 43 Ca -0.24 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.92 1ilf h ARG 43 Cb 1.99 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.54 1ilf h ARG 43 CO 0.14 0.19 -0.10 0.35 -1.51 0.00 0.00 179.97 179.04 1ilf h PHE 44 N 0.00 -0.26 -0.41 2.20 3.57 0.23 -0.35 116.94 121.93 1ilf h PHE 44 Ca -0.00 -0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.60 1ilf h PHE 44 Cb 0.37 0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.18 1ilf h PHE 44 CO 0.00 -0.12 0.29 0.37 -2.23 0.00 0.00 178.31 176.62 1ilf h GLN 45 N -1.07 0.04 -0.01 1.11 4.15 -1.30 0.48 115.11 118.51 1ilf h GLN 45 Ca -0.03 -0.00 -0.18 0.00 0.77 0.00 0.00 58.65 59.21 1ilf h GLN 45 Cb 0.25 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.92 1ilf h GLN 45 CO 0.05 0.02 -0.81 -0.97 -1.93 0.00 0.00 178.83 175.19 1ilf h ASN 46 N 0.04 0.23 0.22 -0.69 -0.73 0.65 -2.79 115.58 112.52 1ilf h ASN 46 Ca 0.19 -0.18 -0.09 0.00 1.87 0.00 0.00 56.30 58.10 1ilf h ASN 46 Cb 0.72 -0.07 -0.01 0.00 0.27 0.00 0.00 38.32 39.23 1ilf h ASN 46 CO -0.01 0.94 -0.35 0.00 -0.37 0.00 0.00 177.43 177.65 1ilf h ALA 47 N 1.04 1.24 0.00 1.57 0.00 0.17 -0.02 119.26 123.26 1ilf h ALA 47 Ca -0.03 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 1ilf h ALA 47 Cb 1.41 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.11 1ilf h ALA 47 CO 0.12 0.52 -0.02 0.00 0.00 0.00 0.00 179.25 179.87 1ilf h ARG 49 N 0.00 0.00 -0.63 0.00 0.11 -0.92 -2.74 114.38 110.20 1ilf h ARG 49 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1ilf h ARG 49 Cb 0.22 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.30 1ilf h ARG 49 CO 0.00 0.49 0.00 -0.25 0.10 0.00 0.00 179.97 180.31 1ilf n ASP 50 N -3.63 4.15 -3.25 0.08 9.92 0.30 -4.51 116.55 119.62 1ilf n ASP 50 Ca -0.01 -2.22 -0.23 0.00 -0.53 0.00 0.00 54.79 51.80 1ilf n ASP 50 Cb 0.57 -0.49 0.03 0.00 -0.64 0.00 0.00 41.12 40.58 1ilf n ASP 50 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1ilf n GLY 51 N 1.20 -0.51 3.26 0.44 0.00 -0.70 -4.90 105.19 103.97 1ilf n GLY 51 Ca 0.23 0.14 -0.10 0.00 0.00 0.00 0.00 46.02 46.29 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 -5.92 0.37 0.17 1.61 3.00 -0.72 0.69 118.95 118.15 1ilf s ARG 52 Ca 0.39 0.83 -0.06 0.00 0.00 0.00 0.00 55.73 56.88 1ilf s ARG 52 Cb -0.18 0.03 -0.02 0.00 0.00 0.00 0.00 34.95 34.78 1ilf s ARG 52 CO 0.48 -0.18 0.23 -1.54 0.00 0.00 0.00 175.30 174.29 1ilf s SER 53 N 1.62 0.11 -0.29 0.23 1.04 -0.68 -4.16 113.70 111.57 1ilf s SER 53 Ca -0.08 -1.03 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 66.52 1ilf s SER 53 CO -0.13 -0.87 0.02 -0.70 0.98 0.00 0.00 173.24 172.54 1ilf s GLU 54 N -4.02 1.39 0.03 4.02 2.12 -1.26 -1.61 118.70 119.36 1ilf s GLU 54 Ca 0.22 -1.35 0.04 0.00 0.36 0.00 0.00 54.97 54.24 1ilf s GLU 54 Cb 0.04 -2.69 -0.04 0.00 0.26 0.00 0.00 34.13 31.71 1ilf s GLU 54 CO 0.03 -0.81 -0.06 0.42 -0.54 0.00 0.00 175.26 174.30 1ilf s ILE 55 N 1.25 3.70 0.29 -3.70 -1.09 0.12 -4.62 121.20 117.16 1ilf s ILE 55 Ca 0.04 -0.85 -0.06 0.00 -2.23 0.00 0.00 60.65 57.55 1ilf s ILE 55 Cb -0.19 -2.65 -0.05 0.00 -1.58 0.00 0.00 42.46 37.99 1ilf s ILE 55 CO -0.11 0.32 0.56 0.00 -1.23 0.00 0.00 174.94 174.48 1ilf s ALA 56 N -1.07 3.60 -0.17 9.38 0.00 0.16 0.42 121.76 134.08 1ilf s ALA 56 Ca 0.19 -0.52 -0.01 0.00 0.00 0.00 0.00 51.96 51.63 1ilf s ALA 56 Cb -0.11 -2.33 0.00 0.00 0.00 0.00 0.00 23.12 20.68 1ilf s ALA 56 CO 0.10 0.25 -0.13 0.12 0.00 0.00 0.00 175.76 176.10 1ilf s PHE 57 N -2.08 2.83 -0.05 0.00 2.19 0.14 -1.91 117.98 119.10 1ilf s PHE 57 Ca 0.45 -1.11 0.17 0.00 0.33 0.00 0.00 56.93 56.77 1ilf s PHE 57 Cb -0.11 -1.95 0.29 0.00 -1.31 0.00 0.00 43.02 39.95 1ilf s PHE 57 CO 0.29 -0.54 1.55 0.28 1.83 0.00 0.00 175.22 178.63 1ilf h VAL 58 N 5.71 0.85 -0.71 3.12 2.07 -1.59 0.36 116.25 126.06 1ilf h VAL 58 Ca -0.37 -1.97 0.15 0.00 0.82 0.00 0.00 66.70 65.33 1ilf h VAL 58 Cb 1.17 2.25 -0.13 0.00 -1.52 0.00 0.00 31.29 33.06 1ilf h VAL 58 CO 0.59 0.44 -0.13 0.00 0.02 0.00 0.00 177.57 178.50 1ilf h ALA 59 N 1.55 0.54 0.00 1.67 0.00 -1.86 -3.25 119.26 117.91 1ilf h ALA 59 Ca -0.00 0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1ilf h ALA 59 Cb 1.21 0.50 0.00 0.00 0.00 0.00 0.00 17.79 19.50 1ilf h ALA 59 CO 0.06 -0.42 -0.31 0.25 0.00 0.00 0.00 179.25 178.83 1ilf n THR 60 N -5.43 0.00 -3.30 0.00 -2.24 -1.25 -5.03 114.28 97.03 1ilf n THR 60 Ca 0.10 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.72 1ilf n THR 60 Cb 0.39 0.68 0.08 0.00 -2.10 0.00 0.00 70.33 69.38 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 3.35 3.38 0.00 0.12 -5.01 105.19 106.49 1ilf n GLY 61 Ca 0.00 0.21 -0.32 0.00 0.00 0.00 0.00 46.02 45.90 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 -3.35 2.66 0.24 2.61 -1.32 -0.68 -4.87 115.64 110.93 1ilf s THR 62 Ca 0.12 -0.84 -0.30 0.00 -1.21 0.00 0.00 61.69 59.47 1ilf s THR 62 Cb -0.02 -2.05 -0.09 0.00 -1.51 0.00 0.00 72.50 68.84 1ilf s THR 62 CO 0.70 0.56 0.94 0.21 -2.21 0.00 0.00 174.62 174.82 1ilf s ASN 63 N -0.08 7.63 -0.07 8.08 2.47 -1.26 0.23 114.94 131.94 1ilf s ASN 63 Ca -0.04 1.95 -0.01 0.00 0.42 0.00 0.00 52.86 55.19 1ilf s ASN 63 Cb -0.14 -2.61 0.03 0.00 -1.45 0.00 0.00 41.25 37.08 1ilf s ASN 63 CO 0.04 0.14 -0.02 -0.76 -3.72 0.00 0.00 177.10 172.78 1ilf s LEU 64 N -1.23 0.85 -0.42 3.21 1.43 0.17 -4.93 118.68 117.77 1ilf s LEU 64 Ca 0.42 -0.14 -0.07 0.00 -1.03 0.00 0.00 54.13 53.30 1ilf s LEU 64 Cb -0.26 -0.53 0.09 0.00 0.03 0.00 0.00 46.19 45.53 1ilf s LEU 64 CO 0.32 -0.15 0.25 -0.44 0.23 0.00 0.00 176.35 176.56 1ilf s SER 65 N 1.71 5.52 0.14 2.29 0.01 -1.26 0.16 113.70 122.27 1ilf s SER 65 Ca 0.02 -1.70 0.10 0.00 1.31 0.00 0.00 55.95 55.67 1ilf s SER 65 Cb -0.13 -1.94 -0.04 0.00 0.21 0.00 0.00 66.02 64.12 1ilf s SER 65 CO -0.05 -0.56 -0.20 -1.48 0.41 0.00 0.00 173.24 171.36 1ilf s LEU 66 N 1.33 2.60 -0.25 2.44 -0.00 -0.64 -5.00 118.68 119.16 1ilf s LEU 66 Ca 0.04 -0.66 -0.02 0.00 -0.00 0.00 0.00 54.13 53.49 1ilf s LEU 66 Cb -0.24 -1.42 0.02 0.00 -0.00 0.00 0.00 46.19 44.56 1ilf s LEU 66 CO -0.00 0.16 -0.05 -1.10 -0.00 0.00 0.00 176.35 175.36 1ilf s GLN 67 N -2.29 2.86 -0.21 1.48 1.11 -1.26 -1.68 119.66 119.66 1ilf s GLN 67 Ca 0.18 -0.97 -0.05 0.00 0.01 0.00 0.00 55.36 54.54 1ilf s GLN 67 Cb -0.10 -3.01 -0.02 0.00 -1.01 0.00 0.00 33.01 28.87 1ilf s GLN 67 CO 0.10 -0.40 -0.00 -0.59 0.01 0.00 0.00 175.29 174.40 1ilf s PHE 68 N 1.34 3.02 0.05 0.91 -0.12 0.22 -3.77 117.98 119.63 1ilf s PHE 68 Ca 0.00 -0.59 -0.26 0.00 -0.05 0.00 0.00 56.93 56.03 1ilf s PHE 68 Cb -0.17 -2.11 0.07 0.00 -0.63 0.00 0.00 43.02 40.18 1ilf s PHE 68 CO -0.04 -0.34 0.62 -0.06 -0.05 0.00 0.00 175.22 175.35 1ilf s PHE 69 N 1.21 -0.57 -0.16 3.49 0.08 -1.26 -4.15 117.98 116.63 1ilf s PHE 69 Ca 0.03 0.68 -0.30 0.00 0.12 0.00 0.00 56.93 57.46 1ilf s PHE 69 Cb -0.15 0.46 -0.08 0.00 -0.57 0.00 0.00 43.02 42.69 1ilf s PHE 69 CO 0.01 -0.72 2.12 -2.30 -0.10 0.00 0.00 175.22 174.24 1ilf n PRO 70 N 0.28 2.10 0.30 0.24 -0.02 -1.26 -4.81 135.00 131.83 1ilf n PRO 70 Ca -0.18 0.66 0.18 0.00 -2.02 0.00 0.00 63.50 62.14 1ilf n PRO 70 Cb 0.61 -3.03 0.91 0.00 -0.02 0.00 0.00 33.50 31.97 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 13.05 1.38 -0.35 3.55 0.00 -1.99 0.19 119.26 135.09 1ilf h ALA 71 Ca -0.42 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1ilf h ALA 71 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1ilf h ALA 71 CO 0.96 -0.28 0.00 0.43 0.00 0.00 0.00 179.25 180.36 1ilf n SER 72 N -3.11 3.58 -4.51 0.00 7.64 -1.26 -4.87 113.62 111.08 1ilf n SER 72 Ca -0.01 -2.47 -0.33 0.00 1.01 0.00 0.00 58.87 57.06 1ilf n SER 72 Cb 0.32 -0.57 -0.12 0.00 -1.01 0.00 0.00 64.21 62.83 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 -1.95 2.83 -0.24 1.43 0.52 0.68 -5.03 118.94 117.17 1ilf s TRP 73 Ca 0.31 -0.15 -0.17 0.00 0.02 0.00 0.00 56.10 56.12 1ilf s TRP 73 Cb 0.23 -1.71 -0.14 0.00 -1.15 0.00 0.00 33.47 30.71 1ilf s TRP 73 CO 0.10 0.19 -0.14 1.04 0.02 0.00 0.00 176.95 178.17 1ilf n GLN 74 N 2.48 0.57 -2.72 4.98 1.13 -1.26 -4.92 117.38 117.64 1ilf n GLN 74 Ca -0.18 0.39 -0.07 0.00 -1.94 0.00 0.00 57.00 55.21 1ilf n GLN 74 Cb 0.53 -1.59 0.06 0.00 0.11 0.00 0.00 30.24 29.34 1ilf n GLN 74 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1ilf n GLY 75 N 1.35 -0.60 2.86 1.08 0.00 -1.26 -5.02 105.19 103.59 1ilf n GLY 75 Ca -0.42 0.46 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 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 1.53 2.84 0.00 1.61 4.71 -1.26 -4.71 120.64 125.37 1ilf n GLU 76 Ca 0.06 -3.65 0.04 0.00 -0.01 0.00 0.00 57.16 53.60 1ilf n GLU 76 Cb 0.66 -2.27 0.43 0.00 -1.01 0.00 0.00 31.44 29.25 1ilf n GLU 76 CO 0.00 0.00 0.00 1.96 0.09 0.00 0.00 177.13 179.18 1ilf h GLN 77 N 2.94 0.53 -0.28 3.49 4.20 -2.00 -2.55 115.11 121.45 1ilf h GLN 77 Ca 0.53 -0.03 0.06 0.00 0.06 0.00 0.00 58.65 59.27 1ilf h GLN 77 Cb 0.14 -0.12 -0.06 0.00 0.30 0.00 0.00 27.48 27.75 1ilf h GLN 77 CO 1.36 0.35 -0.10 0.00 -0.67 0.00 0.00 178.83 179.78 1ilf h ARG 78 N 0.55 -0.04 -7.10 1.46 2.47 -2.03 -3.42 114.38 106.27 1ilf h ARG 78 Ca 0.15 0.00 -0.50 0.00 -1.26 0.00 0.00 59.98 58.37 1ilf h ARG 78 Cb -0.06 0.01 0.05 0.00 -1.65 0.00 0.00 29.97 28.31 1ilf h ARG 78 CO -0.03 -0.03 0.22 -0.65 0.56 0.00 0.00 179.97 180.05 1ilf s GLN 79 N -6.20 3.52 0.32 0.04 1.11 -0.96 -5.07 119.66 112.42 1ilf s GLN 79 Ca -0.14 0.38 -0.20 0.00 0.01 0.00 0.00 55.36 55.41 1ilf s GLN 79 Cb 0.12 -2.26 -0.09 0.00 -1.01 0.00 0.00 33.01 29.76 1ilf s GLN 79 CO 0.69 -0.37 0.82 -0.08 0.01 0.00 0.00 175.29 176.37 1ilf s THR 80 N -2.92 4.48 1.04 -0.19 -1.32 -1.26 -4.95 115.64 110.52 1ilf s THR 80 Ca 0.50 1.35 -0.22 0.00 -1.21 0.00 0.00 61.69 62.12 1ilf s THR 80 Cb -0.11 -3.76 -0.02 0.00 -1.51 0.00 0.00 72.50 67.10 1ilf s THR 80 CO 0.48 -0.03 -0.66 -0.81 -2.21 0.00 0.00 174.62 171.39 1ilf n PRO 81 N 0.08 -0.92 -4.03 7.08 -0.04 -1.26 -5.01 135.00 130.90 1ilf n PRO 81 Ca 0.02 -0.26 -0.22 0.00 -0.04 0.00 0.00 63.50 63.00 1ilf n PRO 81 Cb 0.52 -1.35 -0.04 0.00 -0.04 0.00 0.00 33.50 32.59 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 -1.45 5.30 0.00 3.54 0.15 -1.26 -5.00 113.70 114.98 1ilf s SER 82 Ca 0.43 -0.40 0.19 0.00 0.70 0.00 0.00 55.95 56.87 1ilf s SER 82 Cb -0.01 -1.17 0.92 0.00 -1.71 0.00 0.00 66.02 64.05 1ilf s SER 82 CO 0.61 -0.16 1.57 0.54 1.20 0.00 0.00 173.24 177.00 1ilf n ARG 83 N -1.22 0.23 0.24 5.44 1.74 -1.04 -1.28 116.66 120.77 1ilf n ARG 83 Ca -0.05 0.12 -0.16 0.00 -0.77 0.00 0.00 57.85 56.99 1ilf n ARG 83 Cb 0.59 -1.50 -0.08 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 -0.54 0.00 5.56 5.08 -1.96 -3.28 114.58 119.43 1ilf h GLU 84 Ca 0.00 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1ilf h GLU 84 Cb 0.19 0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1ilf h GLU 84 CO 0.00 -0.33 -1.20 0.66 -1.00 0.00 0.00 179.01 177.13 1ilf n TYR 85 N -5.31 0.00 -3.37 4.33 4.02 -1.21 -4.41 117.16 111.20 1ilf n TYR 85 Ca -0.11 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.67 1ilf n TYR 85 Cb 0.25 -0.17 -0.09 0.00 -0.02 0.00 0.00 39.34 39.32 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 -2.79 -0.54 0.10 -0.72 -7.23 -0.41 0.64 120.40 109.45 1ilf s VAL 86 Ca 0.01 -0.15 0.09 0.00 -1.81 0.00 0.00 61.98 60.12 1ilf s VAL 86 Cb 0.11 -0.83 -0.04 0.00 0.56 0.00 0.00 36.38 36.18 1ilf s VAL 86 CO 0.67 -0.19 -0.22 -0.62 -0.31 0.00 0.00 175.10 174.42 1ilf s ASP 87 N 2.49 3.58 0.00 4.85 -1.08 -0.90 -2.49 116.67 123.12 1ilf s ASP 87 Ca 0.11 -0.62 0.00 0.00 -0.52 0.00 0.00 52.55 51.52 1ilf s ASP 87 Cb -0.15 -0.40 0.00 0.00 -1.46 0.00 0.00 42.92 40.91 1ilf s ASP 87 CO -0.19 0.20 0.00 0.18 0.52 0.00 0.00 175.17 175.88 1ilf n LEU 88 N 1.06 0.00 -4.15 -1.34 4.32 -1.26 -3.42 117.00 112.22 1ilf n LEU 88 Ca -0.17 0.00 -0.27 0.00 -0.02 0.00 0.00 56.01 55.55 1ilf n LEU 88 Cb 0.53 -0.14 -0.16 0.00 -1.62 0.00 0.00 43.42 42.02 1ilf n LEU 88 CO 0.25 -0.14 -0.51 -0.70 -1.22 0.00 0.00 177.39 175.07 1ilf s GLU 89 N -0.28 1.98 0.00 3.23 2.12 -1.26 -4.22 118.70 120.26 1ilf s GLU 89 Ca 0.00 -0.65 0.00 0.00 0.36 0.00 0.00 54.97 54.68 1ilf s GLU 89 Cb 0.00 -1.68 0.00 0.00 0.26 0.00 0.00 34.13 32.71 1ilf s GLU 89 CO 0.00 0.23 0.00 2.89 -0.54 0.00 0.00 175.26 177.84 1ilf n ARG 90 N 3.23 0.00 -0.34 4.30 -4.01 -1.26 -4.97 116.66 113.62 1ilf n ARG 90 Ca -0.19 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.62 1ilf n ARG 90 Cb 0.53 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 29.95 1ilf n ARG 90 CO 0.00 0.00 0.00 -1.91 -3.04 0.00 0.00 177.63 172.68 1ilf n GLU 91 N -0.77 0.00 -3.62 2.89 2.13 -1.26 -5.12 120.64 114.88 1ilf n GLU 91 Ca 0.00 -0.65 0.03 0.00 0.66 0.00 0.00 57.16 57.20 1ilf n GLU 91 Cb 0.00 -0.39 -0.00 0.00 0.27 0.00 0.00 31.44 31.32 1ilf n GLU 91 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1ilf s ALA 92 N 0.00 -2.40 -0.53 4.31 0.00 -1.26 -5.02 121.76 116.86 1ilf s ALA 92 Ca 0.00 0.76 0.24 0.00 0.00 0.00 0.00 51.96 52.96 1ilf s ALA 92 Cb 0.00 0.35 0.37 0.00 0.00 0.00 0.00 23.12 23.84 1ilf s ALA 92 CO 0.00 -1.07 1.43 0.78 0.00 0.00 0.00 175.76 176.90 1ilf h GLY 93 N 2.00 0.00 -1.31 0.00 0.00 -1.99 -3.43 103.07 98.34 1ilf h GLY 93 Ca -0.31 0.00 -0.46 0.00 0.00 0.00 0.00 47.33 46.55 1ilf h GLY 93 CO 0.29 0.00 0.17 0.54 0.00 0.00 0.00 176.54 177.54 1ilf s LYS 94 N -3.20 1.50 -0.17 4.80 3.01 -1.26 -4.70 119.74 119.71 1ilf s LYS 94 Ca 0.06 -0.95 0.01 0.00 -1.01 0.00 0.00 55.97 54.08 1ilf s LYS 94 Cb 0.10 -2.23 0.03 0.00 -1.01 0.00 0.00 37.83 34.72 1ilf s LYS 94 CO 0.70 -1.62 -0.15 0.54 0.51 0.00 0.00 175.35 175.32 1ilf s VAL 95 N -3.29 1.78 -0.03 3.17 0.11 -0.92 -4.64 120.40 116.57 1ilf s VAL 95 Ca 0.67 -0.85 -0.00 0.00 -2.93 0.00 0.00 61.98 58.88 1ilf s VAL 95 Cb -0.05 -1.68 -0.04 0.00 -1.53 0.00 0.00 36.38 33.08 1ilf s VAL 95 CO 0.46 0.42 0.01 -0.72 -3.33 0.00 0.00 175.10 171.94 1ilf s TYR 96 N 1.39 3.14 0.01 1.54 -0.85 -1.22 -1.95 117.35 119.40 1ilf s TYR 96 Ca 0.03 0.14 -0.00 0.00 -0.52 0.00 0.00 57.07 56.72 1ilf s TYR 96 Cb -0.14 -1.72 -0.01 0.00 0.38 0.00 0.00 41.96 40.46 1ilf s TYR 96 CO -0.11 0.48 -0.01 -0.48 -1.52 0.00 0.00 175.55 173.91 1ilf s LEU 97 N -1.32 2.15 -0.15 -3.49 -0.00 -0.85 -2.11 118.68 112.91 1ilf s LEU 97 Ca 0.18 -0.38 0.01 0.00 -0.00 0.00 0.00 54.13 53.93 1ilf s LEU 97 Cb -0.11 0.12 0.01 0.00 -0.00 0.00 0.00 46.19 46.20 1ilf s LEU 97 CO 0.08 -0.25 -0.19 -0.75 -0.00 0.00 0.00 176.35 175.24 1ilf s LYS 98 N -1.18 3.11 -0.02 1.48 2.20 0.21 -1.87 119.74 123.67 1ilf s LYS 98 Ca -0.13 -0.80 0.05 0.00 -0.36 0.00 0.00 55.97 54.72 1ilf s LYS 98 Cb -0.08 -2.54 -0.01 0.00 -1.51 0.00 0.00 37.83 33.69 1ilf s LYS 98 CO -0.01 -0.02 -0.15 0.00 -0.36 0.00 0.00 175.35 174.81 1ilf s ALA 99 N 0.87 1.29 -0.23 3.13 0.00 -0.19 -4.37 121.76 122.26 1ilf s ALA 99 Ca -0.05 -0.66 -0.19 0.00 0.00 0.00 0.00 51.96 51.07 1ilf s ALA 99 Cb -0.15 -0.34 -0.03 0.00 0.00 0.00 0.00 23.12 22.60 1ilf s ALA 99 CO -0.02 0.31 0.53 -1.25 0.00 0.00 0.00 175.76 175.33 1ilf s PRO 100 N -0.30 4.14 0.27 0.00 0.04 -1.25 -0.99 135.00 136.91 1ilf s PRO 100 Ca 0.05 0.40 0.02 0.00 0.04 0.00 0.00 61.00 61.51 1ilf s PRO 100 Cb -0.07 -3.61 -0.04 0.00 0.04 0.00 0.00 34.50 30.83 1ilf s PRO 100 CO -0.00 -0.26 0.13 0.00 0.04 0.00 0.00 177.00 176.91 1ilf s MET 101 N 1.99 1.47 -0.35 4.56 0.23 0.29 -4.78 119.30 122.71 1ilf s MET 101 Ca 0.23 -1.81 -0.07 0.00 -1.03 0.00 0.00 55.69 53.01 1ilf s MET 101 Cb -0.15 -0.11 0.04 0.00 -1.53 0.00 0.00 34.83 33.07 1ilf s MET 101 CO 0.09 -0.38 0.13 0.42 -2.03 0.00 0.00 175.02 173.25 1ilf s ILE 102 N -3.74 3.96 0.09 3.16 -1.09 -1.26 -0.81 121.20 121.51 1ilf s ILE 102 Ca 0.37 -1.06 0.04 0.00 -2.23 0.00 0.00 60.65 57.78 1ilf s ILE 102 Cb 0.06 -3.23 -0.04 0.00 -1.58 0.00 0.00 42.46 37.67 1ilf s ILE 102 CO 0.15 -0.18 0.03 -0.76 -1.23 0.00 0.00 174.94 172.95 1ilf s LEU 103 N 1.44 3.58 0.00 2.97 1.43 -0.27 -4.87 118.68 122.95 1ilf s LEU 103 Ca -0.01 -0.13 0.00 0.00 -1.03 0.00 0.00 54.13 52.96 1ilf s LEU 103 Cb -0.19 -2.29 0.00 0.00 0.03 0.00 0.00 46.19 43.74 1ilf s LEU 103 CO 0.04 0.17 0.00 -3.20 0.23 0.00 0.00 176.35 173.58 1ilf n ASN 104 N 0.46 0.00 -4.23 2.29 2.85 -1.26 0.12 115.26 115.49 1ilf n ASN 104 Ca -0.10 0.00 -0.31 0.00 -0.11 0.00 0.00 54.58 54.06 1ilf n ASN 104 Cb 0.52 0.00 -0.08 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 0.03 -0.19 3.59 8.20 0.00 -1.26 -4.92 105.19 110.65 1ilf n GLY 105 Ca 0.00 0.19 -0.13 0.00 0.00 0.00 0.00 46.02 46.08 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 -4.25 0.00 -0.24 1.61 1.01 0.33 -2.63 120.40 116.22 1ilf s VAL 106 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 61.98 61.74 1ilf s VAL 106 Cb -0.03 -1.00 0.01 0.00 0.00 0.00 0.00 36.38 35.36 1ilf s VAL 106 CO 0.96 0.00 1.05 0.00 0.00 0.00 0.00 175.10 177.10 1ilf s VAL 108 N 3.25 1.21 -0.21 0.00 -7.23 0.01 -2.13 120.40 115.30 1ilf s VAL 108 Ca 0.44 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.57 1ilf s VAL 108 Cb -0.15 -2.73 0.10 0.00 0.56 0.00 0.00 36.38 34.16 1ilf s VAL 108 CO 0.07 0.00 0.30 -0.63 -0.31 0.00 0.00 175.10 174.53 1ilf s ILE 109 N -3.19 -0.46 -0.15 -0.62 1.01 0.20 -0.55 121.20 117.44 1ilf s ILE 109 Ca 0.33 -0.03 -0.16 0.00 0.00 0.00 0.00 60.65 60.80 1ilf s ILE 109 Cb 0.08 -0.69 -0.04 0.00 0.01 0.00 0.00 42.46 41.81 1ilf s ILE 109 CO 0.15 -0.11 0.38 0.86 0.00 0.00 0.00 174.94 176.22 1ilf s TRP 110 N 2.44 3.47 -0.03 3.97 -0.00 -0.16 -0.83 118.94 127.79 1ilf s TRP 110 Ca 0.08 0.71 -0.09 0.00 -0.00 0.00 0.00 56.10 56.81 1ilf s TRP 110 Cb -0.15 -2.45 0.01 0.00 -0.00 0.00 0.00 33.47 30.88 1ilf s TRP 110 CO -0.13 0.18 0.19 -1.59 -0.00 0.00 0.00 176.95 175.60 1ilf s LYS 111 N 0.64 0.44 0.00 5.86 0.00 -0.42 -1.02 119.74 125.23 1ilf s LYS 111 Ca 0.21 -0.14 0.00 0.00 0.00 0.00 0.00 55.97 56.04 1ilf s LYS 111 Cb -0.14 0.19 0.00 0.00 0.00 0.00 0.00 37.83 37.88 1ilf s LYS 111 CO 0.07 -0.10 0.00 0.41 0.00 0.00 0.00 175.35 175.73 1ilf n GLY 112 N 1.91 0.83 3.62 0.59 0.00 -0.78 -0.84 105.19 110.52 1ilf n GLY 112 Ca -0.19 -0.76 -0.29 0.00 0.00 0.00 0.00 46.02 44.78 1ilf n GLY 112 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1ilf s TRP 113 N -2.00 2.81 0.08 1.61 1.48 0.22 -2.00 118.94 121.14 1ilf s TRP 113 Ca 0.00 -0.13 0.07 0.00 -1.06 0.00 0.00 56.10 54.98 1ilf s TRP 113 Cb 0.00 -1.43 -0.03 0.00 -1.16 0.00 0.00 33.47 30.85 1ilf s TRP 113 CO 0.00 0.47 -0.18 0.96 -4.06 0.00 0.00 176.95 174.14 1ilf s ILE 114 N -1.40 1.42 -0.03 0.66 -0.00 -0.82 -1.17 121.20 119.85 1ilf s ILE 114 Ca 0.24 -1.36 -0.24 0.00 -0.00 0.00 0.00 60.65 59.29 1ilf s ILE 114 Cb -0.11 -1.30 -0.04 0.00 -0.00 0.00 0.00 42.46 41.01 1ilf s ILE 114 CO 0.16 -0.09 0.74 1.51 -0.00 0.00 0.00 174.94 177.26 1ilf s ASP 115 N -1.68 7.08 0.00 4.36 -4.77 -0.75 -2.18 116.67 118.73 1ilf s ASP 115 Ca 0.03 1.30 0.00 0.00 -3.30 0.00 0.00 52.55 50.58 1ilf s ASP 115 Cb -0.10 -2.44 0.00 0.00 -1.09 0.00 0.00 42.92 39.29 1ilf s ASP 115 CO 0.03 -0.09 0.54 0.18 0.70 0.00 0.00 175.17 176.54 1ilf n LEU 116 N 3.49 0.35 0.02 2.11 4.32 -1.26 -0.66 117.00 125.38 1ilf n LEU 116 Ca -0.01 -0.18 -0.02 0.00 -0.02 0.00 0.00 56.01 55.79 1ilf n LEU 116 Cb 0.51 -0.18 -0.01 0.00 -1.62 0.00 0.00 43.42 42.13 1ilf n LEU 116 CO 0.47 0.09 -0.16 1.41 -1.22 0.00 0.00 177.39 177.98 1ilf n HIS 117 N -0.19 0.00 0.02 -1.77 8.25 -1.26 -4.82 115.22 115.46 1ilf n HIS 117 Ca 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.43 1ilf n HIS 117 Cb 0.09 -0.08 -0.10 0.00 1.12 0.00 0.00 29.99 31.02 1ilf n HIS 117 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ilf h ARG 118 N -0.15 0.00 0.00 -0.41 2.47 -2.00 -3.49 114.38 110.81 1ilf h ARG 118 Ca -0.01 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.71 1ilf h ARG 118 Cb 0.25 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.57 1ilf h ARG 118 CO -0.01 0.41 0.00 1.28 0.56 0.00 0.00 179.97 182.21 1ilf n LEU 119 N -2.99 -0.83 -4.06 3.04 4.77 0.17 -4.91 117.00 112.19 1ilf n LEU 119 Ca -0.11 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.69 1ilf n LEU 119 Cb 0.91 -0.44 -0.14 0.00 -2.33 0.00 0.00 43.42 41.42 1ilf n LEU 119 CO 0.44 0.00 -0.44 1.51 -1.33 0.00 0.00 177.39 177.57 1ilf s ASP 120 N -2.89 1.19 0.00 -1.43 1.47 -1.25 -1.21 116.67 112.55 1ilf s ASP 120 Ca 0.00 -0.31 0.00 0.00 1.18 0.00 0.00 52.55 53.42 1ilf s ASP 120 Cb 0.00 -0.09 0.00 0.00 -0.34 0.00 0.00 42.92 42.49 1ilf s ASP 120 CO 0.00 0.03 0.00 0.61 0.68 0.00 0.00 175.17 176.49 1ilf n GLY 121 N 2.34 3.61 3.21 2.12 0.00 -0.61 -1.81 105.19 114.06 1ilf n GLY 121 Ca -0.16 -0.22 -0.28 0.00 0.00 0.00 0.00 46.02 45.35 1ilf n GLY 121 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1ilf s MET 122 N 4.26 2.05 0.41 1.61 -1.94 -0.32 -1.01 119.30 124.36 1ilf s MET 122 Ca 0.00 -0.76 0.04 0.00 -1.71 0.00 0.00 55.69 53.26 1ilf s MET 122 Cb 0.00 -1.81 -0.04 0.00 2.01 0.00 0.00 34.83 34.99 1ilf s MET 122 CO 0.00 0.35 0.06 0.20 -0.01 0.00 0.00 175.02 175.62 1ilf s GLY 123 N -0.18 2.53 -0.22 -0.03 0.00 -0.84 -0.61 107.32 107.99 1ilf s GLY 123 Ca -0.01 -1.43 -0.30 0.00 0.00 0.00 0.00 44.72 42.99 1ilf s GLY 123 CO 0.02 -1.95 1.17 0.00 0.00 0.00 0.00 173.10 172.34 1ilf s LEU 125 N -1.14 3.64 0.08 0.00 1.43 -0.83 -1.30 118.68 120.55 1ilf s LEU 125 Ca 0.04 -0.34 -0.13 0.00 -1.03 0.00 0.00 54.13 52.67 1ilf s LEU 125 Cb -0.01 -2.18 0.02 0.00 0.03 0.00 0.00 46.19 44.05 1ilf s LEU 125 CO -0.03 -0.01 0.31 -0.70 0.23 0.00 0.00 176.35 176.15 1ilf s GLU 126 N -3.65 0.89 0.04 1.70 2.56 -0.01 -4.18 118.70 116.05 1ilf s GLU 126 Ca 0.32 -0.66 0.02 0.00 0.00 0.00 0.00 54.97 54.65 1ilf s GLU 126 Cb -0.08 0.38 -0.04 0.00 2.00 0.00 0.00 34.13 36.40 1ilf s GLU 126 CO 0.23 -0.31 0.05 0.12 -0.56 0.00 0.00 175.26 174.79 1ilf s PHE 127 N -3.20 3.17 -0.46 5.30 2.19 -1.26 0.60 117.98 124.32 1ilf s PHE 127 Ca -0.00 0.10 -0.22 0.00 0.33 0.00 0.00 56.93 57.14 1ilf s PHE 127 Cb 0.01 -1.66 0.03 0.00 -1.31 0.00 0.00 43.02 40.09 1ilf s PHE 127 CO -0.07 0.51 0.74 0.34 1.83 0.00 0.00 175.22 178.56 1ilf s ASP 128 N -1.98 6.36 0.09 6.13 -1.08 -0.91 -4.88 116.67 120.41 1ilf s ASP 128 Ca 0.25 -0.26 0.18 0.00 -0.52 0.00 0.00 52.55 52.20 1ilf s ASP 128 Cb -0.12 -2.36 -0.11 0.00 -1.46 0.00 0.00 42.92 38.87 1ilf s ASP 128 CO 0.16 -0.89 0.87 -0.62 0.52 0.00 0.00 175.17 175.21 1ilf n GLU 129 N 6.58 0.62 0.04 4.34 1.02 -1.26 -2.33 120.64 129.65 1ilf n GLU 129 Ca 0.00 0.20 -0.22 0.00 -0.02 0.00 0.00 57.16 57.12 1ilf n GLU 129 Cb 0.48 -1.81 -0.14 0.00 -0.02 0.00 0.00 31.44 29.95 1ilf n GLU 129 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 1ilf h GLU 130 N 0.00 0.31 0.02 3.49 4.11 -2.02 -3.36 114.58 117.14 1ilf h GLU 130 Ca -0.13 -0.54 -0.21 0.00 0.07 0.00 0.00 59.36 58.55 1ilf h GLU 130 Cb 1.45 0.20 -0.01 0.00 0.50 0.00 0.00 28.75 30.89 1ilf h GLU 130 CO 0.03 1.26 -0.95 -0.09 0.07 0.00 0.00 179.01 179.33 1ilf h ARG 131 N -0.20 0.20 -1.12 1.06 2.43 -1.98 -3.23 114.38 111.55 1ilf h ARG 131 Ca -0.27 -0.25 0.32 0.00 -0.81 0.00 0.00 59.98 58.97 1ilf h ARG 131 Cb 1.84 0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 31.42 1ilf h ARG 131 CO 0.12 1.01 0.80 0.00 -1.51 0.00 0.00 179.97 180.39 1ilf h ALA 132 N 0.90 3.00 -0.03 2.80 0.00 -1.60 0.12 119.26 124.45 1ilf h ALA 132 Ca -0.06 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1ilf h ALA 132 Cb 1.61 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.47 1ilf h ALA 132 CO 0.15 -1.33 -0.01 0.37 0.00 0.00 0.00 179.25 178.43 1ilf h GLN 133 N 0.03 0.06 -0.66 0.00 4.15 -1.71 -2.96 115.11 114.02 1ilf h GLN 133 Ca 0.54 -0.02 -0.03 0.00 0.77 0.00 0.00 58.65 59.90 1ilf h GLN 133 Cb 2.09 -0.00 -0.03 0.00 0.21 0.00 0.00 27.48 29.75 1ilf h GLN 133 CO -0.03 0.45 0.29 1.96 -1.93 0.00 0.00 178.83 179.57 1ilf h GLN 134 N -0.34 0.97 -0.90 1.69 4.20 -1.18 -1.31 115.11 118.24 1ilf h GLN 134 Ca 0.01 -0.16 0.20 0.00 0.06 0.00 0.00 58.65 58.76 1ilf h GLN 134 Cb 0.43 -0.17 -0.07 0.00 0.30 0.00 0.00 27.48 27.98 1ilf h GLN 134 CO 0.00 0.79 0.59 0.93 -0.67 0.00 0.00 178.83 180.48 1ilf h GLU 135 N 0.92 0.41 -0.30 1.46 5.08 -1.34 1.10 114.58 121.91 1ilf h GLU 135 Ca 0.22 -0.02 -0.15 0.00 -1.00 0.00 0.00 59.36 58.41 1ilf h GLU 135 Cb 0.16 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1ilf h GLU 135 CO -0.02 0.27 -0.42 0.22 -1.00 0.00 0.00 179.01 178.06 1ilf h ASP 136 N 0.42 0.80 0.11 1.42 3.58 -1.09 0.26 116.42 121.91 1ilf h ASP 136 Ca 0.47 -0.37 -0.01 0.00 0.42 0.00 0.00 57.03 57.54 1ilf h ASP 136 Cb 1.14 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 41.97 1ilf h ASP 136 CO -0.18 1.11 -0.05 0.00 -2.88 0.00 0.00 179.24 177.24 1ilf h ALA 137 N 0.92 -0.15 -0.25 -0.78 0.00 0.14 -2.93 119.26 116.22 1ilf h ALA 137 Ca 0.04 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 1ilf h ALA 137 Cb 0.97 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1ilf h ALA 137 CO 0.09 -0.31 -0.04 -0.07 0.00 0.00 0.00 179.25 178.93 1ilf h LEU 138 N -0.71 0.35 -1.99 0.00 3.38 0.76 -0.84 115.31 116.27 1ilf h LEU 138 Ca -0.02 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1ilf h LEU 138 Cb 0.53 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1ilf h LEU 138 CO 0.03 0.45 0.00 0.00 0.09 0.00 0.00 178.44 179.00 1ilf h ALA 139 N 1.60 1.00 -3.36 1.53 0.00 -0.49 -3.37 119.26 116.18 1ilf h ALA 139 Ca 0.08 0.00 -0.59 0.00 0.00 0.00 0.00 54.91 54.40 1ilf h ALA 139 Cb 0.31 0.00 -0.40 0.00 0.00 0.00 0.00 17.79 17.71 1ilf h ALA 139 CO 0.01 0.00 -0.76 -0.65 0.00 0.00 0.00 179.25 177.85 1ilf s GLN 140 N -3.82 1.02 0.00 0.00 -0.21 -0.32 -5.06 119.66 111.27 1ilf s GLN 140 Ca -0.01 -1.10 0.26 0.00 0.02 0.00 0.00 55.36 54.53 1ilf s GLN 140 Cb 0.10 -2.33 0.72 0.00 1.00 0.00 0.00 33.01 32.51 1ilf s GLN 140 CO 0.47 -0.85 1.56 1.04 -2.12 0.00 0.00 175.29 175.38