#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 -0.84 -0.06 0.03 -0.02 -1.26 -4.96 135.00 127.89 1ilf n PRO 2 Ca 0.00 -0.03 -0.08 0.00 -2.02 0.00 0.00 63.50 61.37 1ilf n PRO 2 Cb 0.00 -0.05 -0.15 0.00 -0.02 0.00 0.00 33.50 33.29 1ilf n PRO 2 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1ilf n ARG 3 N -1.44 0.67 -4.57 -0.52 0.63 -1.26 -4.88 116.66 105.28 1ilf n ARG 3 Ca 0.00 0.09 -0.33 0.00 -0.92 0.00 0.00 57.85 56.70 1ilf n ARG 3 Cb 0.01 -1.63 -0.16 0.00 0.45 0.00 0.00 32.46 31.14 1ilf n ARG 3 CO 0.00 0.00 0.00 0.14 -2.51 0.00 0.00 177.63 175.26 1ilf s VAL 4 N -2.61 2.50 0.38 5.15 -7.23 -1.26 -2.75 120.40 114.58 1ilf s VAL 4 Ca -0.08 -0.83 -0.16 0.00 -1.81 0.00 0.00 61.98 59.11 1ilf s VAL 4 Cb 0.07 -2.04 -0.09 0.00 0.56 0.00 0.00 36.38 34.88 1ilf s VAL 4 CO 0.83 0.52 0.81 0.68 -0.31 0.00 0.00 175.10 177.64 1ilf s VAL 5 N 0.81 4.62 0.15 1.32 -7.23 -0.82 -4.95 120.40 114.28 1ilf s VAL 5 Ca -0.06 1.05 -0.07 0.00 -1.81 0.00 0.00 61.98 61.09 1ilf s VAL 5 Cb -0.15 -3.63 0.21 0.00 0.56 0.00 0.00 36.38 33.36 1ilf s VAL 5 CO -0.00 -0.31 0.90 -2.65 -0.31 0.00 0.00 175.10 172.73 1ilf n PRO 6 N -0.67 -0.09 -3.78 4.82 -0.02 -1.26 -2.22 135.00 131.78 1ilf n PRO 6 Ca 0.04 0.90 -0.29 0.00 -2.02 0.00 0.00 63.50 62.13 1ilf n PRO 6 Cb 0.54 -1.34 -0.13 0.00 -0.02 0.00 0.00 33.50 32.55 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 -5.18 3.87 0.20 2.55 1.11 -1.26 -4.95 116.67 113.01 1ilf s ASP 7 Ca -0.08 -3.11 -0.11 0.00 0.18 0.00 0.00 52.55 49.43 1ilf s ASP 7 Cb 0.14 -1.27 0.17 0.00 1.07 0.00 0.00 42.92 43.03 1ilf s ASP 7 CO 0.43 -0.20 1.85 0.06 1.18 0.00 0.00 175.17 178.49 1ilf h GLN 8 N 6.18 0.81 0.00 8.23 -0.00 -1.75 0.10 115.11 128.69 1ilf h GLN 8 Ca 0.05 -0.05 -0.03 0.00 -0.00 0.00 0.00 58.65 58.62 1ilf h GLN 8 Cb 0.87 -0.18 -0.00 0.00 -0.00 0.00 0.00 27.48 28.16 1ilf h GLN 8 CO 0.58 0.54 -0.15 0.00 -0.00 0.00 0.00 178.83 179.80 1ilf h ARG 9 N 0.84 0.00 -0.53 0.06 -0.00 -1.92 -1.81 114.38 111.02 1ilf h ARG 9 Ca 0.27 0.00 -0.04 0.00 -0.50 0.00 0.00 59.98 59.71 1ilf h ARG 9 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 29.97 29.95 1ilf h ARG 9 CO -0.10 0.15 0.15 0.77 0.00 0.00 0.00 179.97 180.94 1ilf h SER 10 N 0.00 0.73 0.16 7.04 0.02 -1.20 0.55 113.55 120.86 1ilf h SER 10 Ca -0.00 -0.12 -0.31 0.00 -0.84 0.00 0.00 61.79 60.53 1ilf h SER 10 Cb 0.46 -0.19 0.01 0.00 0.14 0.00 0.00 62.40 62.82 1ilf h SER 10 CO 0.02 0.70 -1.50 0.11 -1.14 0.00 0.00 176.83 175.02 1ilf h LYS 11 N 0.77 0.35 0.00 3.45 6.56 -1.23 0.75 116.57 127.22 1ilf h LYS 11 Ca 0.18 -0.60 -0.00 0.00 -1.06 0.00 0.00 60.65 59.17 1ilf h LYS 11 Cb 0.25 0.22 -0.00 0.00 -0.57 0.00 0.00 32.23 32.13 1ilf h LYS 11 CO -0.01 1.29 -0.01 0.35 -2.06 0.00 0.00 179.45 179.01 1ilf h PHE 12 N -0.09 0.00 0.00 -1.35 3.04 -1.25 0.53 116.94 117.81 1ilf h PHE 12 Ca -0.30 0.00 -0.24 0.00 3.98 0.00 0.00 57.97 61.41 1ilf h PHE 12 Cb 1.94 0.00 -0.04 0.00 2.56 0.00 0.00 35.95 40.40 1ilf h PHE 12 CO 0.12 0.01 -2.24 0.39 -2.02 0.00 0.00 178.31 174.58 1ilf n GLU 13 N -3.11 0.68 -0.05 1.11 -0.58 0.19 -4.38 120.64 114.50 1ilf n GLU 13 Ca -0.00 -0.07 -0.03 0.00 -0.42 0.00 0.00 57.16 56.63 1ilf n GLU 13 Cb 0.27 -1.52 -0.11 0.00 -0.57 0.00 0.00 31.44 29.51 1ilf n GLU 13 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1ilf n ASN 14 N -2.58 1.60 -4.75 1.62 2.85 0.26 -4.93 115.26 109.32 1ilf n ASN 14 Ca -0.23 0.00 -0.41 0.00 -0.11 0.00 0.00 54.58 53.83 1ilf n ASN 14 Cb 0.95 1.04 -0.02 0.00 1.24 0.00 0.00 39.78 42.99 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 -2.50 4.22 0.00 1.20 0.41 0.18 -4.90 118.70 117.31 1ilf s GLU 15 Ca -0.06 2.40 0.00 0.00 -0.41 0.00 0.00 54.97 56.90 1ilf s GLU 15 Cb 0.05 -3.06 0.00 0.00 -1.78 0.00 0.00 34.13 29.34 1ilf s GLU 15 CO 0.58 -0.47 0.54 -0.85 -0.49 0.00 0.00 175.26 174.56 1ilf n GLU 16 N 1.93 0.00 -0.34 1.61 0.00 -1.26 0.60 120.64 123.18 1ilf n GLU 16 Ca 0.06 0.08 0.14 0.00 0.00 0.00 0.00 57.16 57.44 1ilf n GLU 16 Cb 0.39 -1.04 0.36 0.00 0.00 0.00 0.00 31.44 31.15 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 0.99 -0.04 -1.84 3.04 -1.97 1.31 116.94 118.43 1ilf h PHE 17 Ca 0.00 0.03 -0.03 0.00 3.98 0.00 0.00 57.97 61.95 1ilf h PHE 17 Cb 0.00 -0.30 -0.01 0.00 2.56 0.00 0.00 35.95 38.21 1ilf h PHE 17 CO 0.03 0.21 -0.11 0.35 -2.02 0.00 0.00 178.31 176.77 1ilf h PHE 18 N 0.70 0.06 0.00 0.41 3.04 -1.89 0.53 116.94 119.80 1ilf h PHE 18 Ca 0.57 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.52 1ilf h PHE 18 Cb 0.98 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 39.47 1ilf h PHE 18 CO -0.00 0.18 -0.05 0.00 -2.02 0.00 0.00 178.31 176.41 1ilf h ARG 19 N 0.06 0.00 -1.39 1.11 3.08 0.69 0.55 114.38 118.49 1ilf h ARG 19 Ca 0.01 0.00 0.40 0.00 0.07 0.00 0.00 59.98 60.47 1ilf h ARG 19 Cb 0.25 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.24 1ilf h ARG 19 CO 0.02 0.00 1.00 0.87 -1.07 0.00 0.00 179.97 180.78 1ilf h LYS 20 N -0.80 0.00 0.13 0.04 1.57 0.74 0.89 116.57 119.13 1ilf h LYS 20 Ca 0.00 -0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.42 1ilf h LYS 20 Cb 0.05 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 1ilf h LYS 20 CO 0.00 0.00 -1.93 -0.07 -0.57 0.00 0.00 179.45 176.88 1ilf h LEU 21 N 0.00 0.41 -0.94 2.94 -0.00 -0.01 -3.32 115.31 114.40 1ilf h LEU 21 Ca 0.66 -0.87 0.00 0.00 -0.00 0.00 0.00 57.88 57.67 1ilf h LEU 21 Cb 2.64 -0.13 0.00 0.00 -0.00 0.00 0.00 40.66 43.17 1ilf h LEU 21 CO -0.01 1.77 0.16 -1.20 -0.00 0.00 0.00 178.44 179.16 1ilf n SER 22 N -3.46 0.37 -1.40 -0.43 7.64 0.30 -1.70 113.62 114.93 1ilf n SER 22 Ca -0.29 0.60 0.00 0.00 1.01 0.00 0.00 58.87 60.19 1ilf n SER 22 Cb 1.05 -0.60 0.00 0.00 -1.01 0.00 0.00 64.21 63.65 1ilf n SER 22 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1ilf n ARG 23 N -2.02 1.58 -4.43 1.43 5.12 -0.39 -3.79 116.66 114.15 1ilf n ARG 23 Ca -0.01 0.00 -0.34 0.00 -1.93 0.00 0.00 57.85 55.57 1ilf n ARG 23 Cb 0.18 0.00 -0.13 0.00 -1.16 0.00 0.00 32.46 31.35 1ilf n ARG 23 CO 0.00 0.00 0.00 -1.83 -1.93 0.00 0.00 177.63 173.87 1ilf s GLU 24 N -0.46 3.48 0.28 5.56 -1.05 -1.26 -2.00 118.70 123.25 1ilf s GLU 24 Ca 0.00 -0.61 -0.09 0.00 -0.15 0.00 0.00 54.97 54.12 1ilf s GLU 24 Cb 0.00 -2.82 -0.00 0.00 -0.44 0.00 0.00 34.13 30.87 1ilf s GLU 24 CO 0.00 0.12 0.47 0.00 0.95 0.00 0.00 175.26 176.80 1ilf n GLU 26 N -0.44 2.38 -4.17 0.00 2.13 -1.26 -1.53 120.64 117.74 1ilf n GLU 26 Ca -0.01 0.84 -0.11 0.00 0.66 0.00 0.00 57.16 58.54 1ilf n GLU 26 Cb 0.62 -2.49 -0.10 0.00 0.27 0.00 0.00 31.44 29.74 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 -0.98 0.62 0.16 6.31 -4.36 -0.91 -1.51 121.20 120.53 1ilf s ILE 27 Ca 0.56 -1.93 -0.20 0.00 -0.26 0.00 0.00 60.65 58.82 1ilf s ILE 27 Cb -0.53 -1.74 0.05 0.00 1.25 0.00 0.00 42.46 41.49 1ilf s ILE 27 CO 0.61 -0.82 0.54 -1.59 0.24 0.00 0.00 174.94 173.92 1ilf s LYS 28 N -3.86 1.26 -0.24 0.37 -2.85 -0.68 -1.84 119.74 111.89 1ilf s LYS 28 Ca 0.13 -0.62 -0.27 0.00 -1.00 0.00 0.00 55.97 54.21 1ilf s LYS 28 Cb 0.06 0.55 0.01 0.00 -2.06 0.00 0.00 37.83 36.38 1ilf s LYS 28 CO -0.04 -0.54 0.97 -0.47 0.10 0.00 0.00 175.35 175.38 1ilf s TYR 29 N -3.79 3.32 -0.29 1.78 5.04 -0.19 0.47 117.35 123.69 1ilf s TYR 29 Ca 0.03 1.34 0.19 0.00 -2.44 0.00 0.00 57.07 56.19 1ilf s TYR 29 Cb -0.00 -3.22 0.47 0.00 0.35 0.00 0.00 41.96 39.56 1ilf s TYR 29 CO -0.10 -0.47 1.26 0.25 -1.34 0.00 0.00 175.55 175.14 1ilf n THR 30 N 5.33 0.79 0.00 4.34 -2.24 -1.26 -4.88 114.28 116.36 1ilf n THR 30 Ca 0.10 -2.24 0.00 0.00 -2.27 0.00 0.00 64.05 59.64 1ilf n THR 30 Cb 0.47 1.17 0.00 0.00 -2.10 0.00 0.00 70.33 69.86 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 -0.90 -0.24 0.43 3.38 0.00 -1.26 -4.88 105.19 101.71 1ilf n GLY 31 Ca -0.02 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.58 0.12 1.00 1.61 -1.74 -1.26 -4.49 117.46 111.12 1ilf n PHE 32 Ca 0.00 -0.15 0.14 0.00 -0.56 0.00 0.00 57.45 56.87 1ilf n PHE 32 Cb 0.00 -0.01 0.53 0.00 1.52 0.00 0.00 39.48 41.53 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 0.48 0.00 0.14 3.97 0.00 -1.26 -3.91 116.66 116.07 1ilf n ARG 33 Ca 0.07 0.00 0.05 0.00 -0.00 0.00 0.00 57.85 57.97 1ilf n ARG 33 Cb 0.29 -1.50 0.28 0.00 -0.00 0.00 0.00 32.46 31.53 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 -1.51 0.27 0.00 2.89 5.75 -1.26 -2.19 116.55 120.50 1ilf n ASP 34 Ca 0.07 0.50 0.00 0.00 -0.01 0.00 0.00 54.79 55.34 1ilf n ASP 34 Cb 0.34 -0.44 0.00 0.00 -1.03 0.00 0.00 41.12 39.99 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 -1.91 0.00 -2.46 0.11 3.00 -1.25 -4.88 116.66 109.27 1ilf n ARG 35 Ca -0.01 0.00 -0.41 0.00 -0.01 0.00 0.00 57.85 57.43 1ilf n ARG 35 Cb 0.32 -0.04 0.02 0.00 0.00 0.00 0.00 32.46 32.77 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 -2.09 4.76 -0.20 5.56 -0.04 -1.24 -4.83 135.00 136.92 1ilf n PRO 36 Ca 0.00 -4.38 -0.04 0.00 -0.04 0.00 0.00 63.50 59.04 1ilf n PRO 36 Cb 0.00 -2.42 0.02 0.00 -0.04 0.00 0.00 33.50 31.06 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 3.89 -0.81 -0.44 0.54 2.76 -1.74 0.75 115.15 120.09 1ilf h HIS 37 Ca 0.55 0.07 0.13 0.00 -2.20 0.00 0.00 60.37 58.91 1ilf h HIS 37 Cb 0.25 0.44 -0.02 0.00 1.55 0.00 0.00 27.41 29.63 1ilf h HIS 37 CO 1.30 -0.36 0.38 1.49 -1.30 0.00 0.00 177.93 179.43 1ilf h GLU 38 N -0.14 0.00 0.18 5.26 4.22 -1.88 0.19 114.58 122.40 1ilf h GLU 38 Ca 0.24 0.00 -0.35 0.00 0.08 0.00 0.00 59.36 59.34 1ilf h GLU 38 Cb 0.54 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.80 1ilf h GLU 38 CO -0.67 0.00 -1.72 1.49 -2.18 0.00 0.00 179.01 175.93 1ilf h GLU 39 N 0.00 0.38 -0.18 1.92 4.57 -0.67 -3.26 114.58 117.34 1ilf h GLU 39 Ca 0.21 -0.65 0.05 0.00 -1.18 0.00 0.00 59.36 57.80 1ilf h GLU 39 Cb 0.97 0.24 -0.01 0.00 -0.16 0.00 0.00 28.75 29.79 1ilf h GLU 39 CO -0.00 1.29 0.31 0.00 -1.18 0.00 0.00 179.01 179.43 1ilf h ARG 40 N 0.10 0.00 -0.88 1.92 -0.00 0.32 0.27 114.38 116.11 1ilf h ARG 40 Ca -0.33 0.00 0.10 0.00 -0.50 0.00 0.00 59.98 59.24 1ilf h ARG 40 Cb 2.09 0.00 -0.07 0.00 0.00 0.00 0.00 29.97 31.99 1ilf h ARG 40 CO 0.18 0.00 0.53 -0.56 0.00 0.00 0.00 179.97 180.11 1ilf h GLN 41 N 0.00 0.86 0.05 0.04 3.07 -1.19 1.28 115.11 119.22 1ilf h GLN 41 Ca 0.09 -0.05 -0.28 0.00 0.09 0.00 0.00 58.65 58.50 1ilf h GLN 41 Cb 0.71 -0.19 -0.03 0.00 0.08 0.00 0.00 27.48 28.05 1ilf h GLN 41 CO -0.00 0.57 -1.45 1.15 0.09 0.00 0.00 178.83 179.18 1ilf h THR 42 N 0.88 1.20 -0.40 1.86 2.02 -0.75 -2.53 112.91 115.19 1ilf h THR 42 Ca 0.42 -2.93 -0.04 0.00 0.77 0.00 0.00 66.41 64.63 1ilf h THR 42 Cb 0.36 2.67 -0.02 0.00 -1.74 0.00 0.00 68.15 69.42 1ilf h THR 42 CO -0.24 0.76 0.10 0.03 0.37 0.00 0.00 175.52 176.54 1ilf h ARG 43 N 0.03 0.59 0.13 6.66 2.47 0.25 0.84 114.38 125.35 1ilf h ARG 43 Ca -0.20 -0.10 -0.01 0.00 -1.26 0.00 0.00 59.98 58.42 1ilf h ARG 43 Cb 1.95 -0.10 0.00 0.00 -1.65 0.00 0.00 29.97 30.17 1ilf h ARG 43 CO 0.12 0.54 -0.06 0.35 0.56 0.00 0.00 179.97 181.48 1ilf h PHE 44 N 0.58 -0.16 -0.16 3.04 3.57 0.15 0.14 116.94 124.10 1ilf h PHE 44 Ca 0.14 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.68 1ilf h PHE 44 Cb 0.22 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 1ilf h PHE 44 CO 0.01 0.29 0.13 1.96 -2.23 0.00 0.00 178.31 178.47 1ilf h GLN 45 N -0.90 0.00 0.00 1.11 4.20 -1.26 0.43 115.11 118.69 1ilf h GLN 45 Ca -0.02 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.58 1ilf h GLN 45 Cb 0.52 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.29 1ilf h GLN 45 CO 0.03 0.00 -0.76 -0.97 -0.67 0.00 0.00 178.83 176.46 1ilf h ASN 46 N 0.00 0.00 0.51 1.46 -0.73 0.72 -3.15 115.58 114.39 1ilf h ASN 46 Ca 0.08 0.00 -0.14 0.00 1.87 0.00 0.00 56.30 58.11 1ilf h ASN 46 Cb 0.34 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 38.92 1ilf h ASN 46 CO -0.00 0.46 -0.61 0.00 -0.37 0.00 0.00 177.43 176.91 1ilf h ALA 47 N 1.54 0.93 0.00 1.57 0.00 0.27 -1.83 119.26 121.73 1ilf h ALA 47 Ca -0.05 -0.55 -0.00 0.00 0.00 0.00 0.00 54.91 54.30 1ilf h ALA 47 Cb 1.39 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 1ilf h ALA 47 CO 0.05 0.75 -0.02 0.00 0.00 0.00 0.00 179.25 180.03 1ilf h ARG 49 N 0.00 0.00 -0.59 0.00 2.43 -1.40 -3.15 114.38 111.66 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 0.25 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 1ilf h ARG 49 CO 0.00 0.21 0.00 -0.25 -1.51 0.00 0.00 179.97 178.42 1ilf n ASP 50 N -3.13 3.59 -2.69 -3.80 9.92 0.30 -4.14 116.55 116.60 1ilf n ASP 50 Ca 0.03 -2.00 -0.20 0.00 -0.53 0.00 0.00 54.79 52.09 1ilf n ASP 50 Cb 0.62 -0.39 0.01 0.00 -0.64 0.00 0.00 41.12 40.71 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 1.25 -0.51 3.23 0.44 0.00 -0.48 -4.92 105.19 104.20 1ilf n GLY 51 Ca 0.20 0.05 -0.10 0.00 0.00 0.00 0.00 46.02 46.16 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 -5.33 0.34 0.17 1.61 0.52 -0.72 0.57 118.95 116.10 1ilf s ARG 52 Ca 0.13 0.80 -0.06 0.00 -0.52 0.00 0.00 55.73 56.07 1ilf s ARG 52 Cb -0.06 0.02 -0.02 0.00 0.52 0.00 0.00 34.95 35.41 1ilf s ARG 52 CO 0.16 -0.18 0.23 0.45 0.02 0.00 0.00 175.30 175.97 1ilf s SER 53 N 1.65 0.11 -0.31 0.23 0.15 -0.71 -4.30 113.70 110.52 1ilf s SER 53 Ca -0.08 -1.02 0.03 0.00 0.70 0.00 0.00 55.95 55.59 1ilf s SER 53 Cb -0.09 0.41 0.09 0.00 -1.71 0.00 0.00 66.02 64.71 1ilf s SER 53 CO -0.12 -0.87 0.02 -0.70 1.20 0.00 0.00 173.24 172.77 1ilf s GLU 54 N -4.01 1.52 -0.00 5.44 2.56 -1.26 -2.03 118.70 120.92 1ilf s GLU 54 Ca 0.22 -1.61 0.03 0.00 0.00 0.00 0.00 54.97 53.61 1ilf s GLU 54 Cb 0.04 -2.94 -0.03 0.00 2.00 0.00 0.00 34.13 33.20 1ilf s GLU 54 CO 0.02 -0.85 -0.06 0.96 -0.56 0.00 0.00 175.26 174.77 1ilf s ILE 55 N 1.07 3.68 0.14 -3.70 -0.00 -0.42 -4.30 121.20 117.67 1ilf s ILE 55 Ca 0.06 -0.75 0.02 0.00 -0.00 0.00 0.00 60.65 59.98 1ilf s ILE 55 Cb -0.19 -2.59 -0.04 0.00 -0.00 0.00 0.00 42.46 39.64 1ilf s ILE 55 CO -0.10 0.41 0.28 0.00 -0.00 0.00 0.00 174.94 175.54 1ilf s ALA 56 N -0.99 3.96 -0.22 2.27 0.00 0.18 -0.77 121.76 126.20 1ilf s ALA 56 Ca 0.17 -0.99 -0.06 0.00 0.00 0.00 0.00 51.96 51.08 1ilf s ALA 56 Cb -0.11 -1.81 -0.03 0.00 0.00 0.00 0.00 23.12 21.18 1ilf s ALA 56 CO 0.07 0.57 0.02 0.12 0.00 0.00 0.00 175.76 176.54 1ilf s PHE 57 N -1.72 3.06 0.06 0.00 5.36 0.14 -1.69 117.98 123.19 1ilf s PHE 57 Ca 0.35 -0.45 -0.15 0.00 -0.96 0.00 0.00 56.93 55.72 1ilf s PHE 57 Cb -0.11 -2.14 -0.28 0.00 -0.34 0.00 0.00 43.02 40.15 1ilf s PHE 57 CO 0.28 -0.28 1.11 0.28 -1.46 0.00 0.00 175.22 175.16 1ilf h VAL 58 N 5.43 1.28 -0.90 3.12 2.07 -1.57 0.41 116.25 126.09 1ilf h VAL 58 Ca -0.37 -2.43 0.25 0.00 0.82 0.00 0.00 66.70 64.97 1ilf h VAL 58 Cb 1.18 2.65 -0.15 0.00 -1.52 0.00 0.00 31.29 33.44 1ilf h VAL 58 CO 0.60 0.74 0.17 0.00 0.02 0.00 0.00 177.57 179.10 1ilf h ALA 59 N 0.30 1.23 0.00 1.67 0.00 -1.90 -2.79 119.26 117.77 1ilf h ALA 59 Ca -0.18 0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1ilf h ALA 59 Cb 1.89 0.40 0.00 0.00 0.00 0.00 0.00 17.79 20.09 1ilf h ALA 59 CO 0.24 -0.51 -0.18 0.25 0.00 0.00 0.00 179.25 179.05 1ilf n THR 60 N -5.31 0.65 -3.52 0.00 -2.24 -1.25 -5.00 114.28 97.61 1ilf n THR 60 Ca 0.22 -0.75 -0.26 0.00 -2.27 0.00 0.00 64.05 60.99 1ilf n THR 60 Cb 0.71 0.42 0.01 0.00 -2.10 0.00 0.00 70.33 69.37 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 -0.45 -0.49 3.74 3.38 0.00 0.14 -4.94 105.19 106.56 1ilf n GLY 61 Ca 0.04 0.13 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.10 5.30 0.38 2.61 -1.32 -0.69 -4.83 115.64 113.98 1ilf s THR 62 Ca 0.48 0.14 -0.23 0.00 -1.21 0.00 0.00 61.69 60.87 1ilf s THR 62 Cb -0.25 -3.38 -0.10 0.00 -1.51 0.00 0.00 72.50 67.26 1ilf s THR 62 CO 0.60 0.49 0.95 0.21 -2.21 0.00 0.00 174.62 174.65 1ilf s ASN 63 N 0.03 7.11 -0.06 8.08 3.84 -1.26 0.27 114.94 132.96 1ilf s ASN 63 Ca 0.09 1.77 -0.02 0.00 0.21 0.00 0.00 52.86 54.91 1ilf s ASN 63 Cb -0.11 -2.56 0.04 0.00 -0.55 0.00 0.00 41.25 38.06 1ilf s ASN 63 CO -0.00 -0.24 0.10 -0.76 -2.79 0.00 0.00 177.10 173.41 1ilf s LEU 64 N -2.65 0.21 -0.37 3.21 1.43 0.05 -4.90 118.68 115.66 1ilf s LEU 64 Ca 0.57 0.18 -0.11 0.00 -1.03 0.00 0.00 54.13 53.74 1ilf s LEU 64 Cb -0.14 0.05 0.02 0.00 0.03 0.00 0.00 46.19 46.15 1ilf s LEU 64 CO 0.18 -0.23 0.21 -0.44 0.23 0.00 0.00 176.35 176.30 1ilf s SER 65 N 2.02 5.74 0.15 2.29 0.01 -1.26 -1.31 113.70 121.34 1ilf s SER 65 Ca 0.02 -0.91 0.11 0.00 1.31 0.00 0.00 55.95 56.47 1ilf s SER 65 Cb -0.12 -2.03 -0.04 0.00 0.21 0.00 0.00 66.02 64.03 1ilf s SER 65 CO -0.04 -0.36 -0.25 -0.76 0.41 0.00 0.00 173.24 172.24 1ilf s LEU 66 N 1.58 2.36 -0.30 2.44 1.02 -0.86 -5.04 118.68 119.88 1ilf s LEU 66 Ca 0.03 -0.78 0.03 0.00 0.02 0.00 0.00 54.13 53.43 1ilf s LEU 66 Cb -0.19 -1.13 0.08 0.00 0.02 0.00 0.00 46.19 44.97 1ilf s LEU 66 CO 0.07 0.13 -0.01 -1.10 0.02 0.00 0.00 176.35 175.46 1ilf s GLN 67 N -2.26 1.72 -0.22 1.70 -0.21 -1.26 -1.74 119.66 117.39 1ilf s GLN 67 Ca 0.15 -1.57 -0.08 0.00 0.02 0.00 0.00 55.36 53.88 1ilf s GLN 67 Cb -0.09 -2.97 -0.04 0.00 1.00 0.00 0.00 33.01 30.91 1ilf s GLN 67 CO 0.07 -0.78 0.09 -0.59 -2.12 0.00 0.00 175.29 171.96 1ilf s PHE 68 N 1.06 3.20 -0.10 0.91 -0.12 0.19 -4.19 117.98 118.92 1ilf s PHE 68 Ca 0.02 -0.07 -0.28 0.00 -0.05 0.00 0.00 56.93 56.55 1ilf s PHE 68 Cb -0.19 -2.18 0.07 0.00 -0.63 0.00 0.00 43.02 40.08 1ilf s PHE 68 CO -0.08 -0.06 0.66 -0.06 -0.05 0.00 0.00 175.22 175.63 1ilf s PHE 69 N 1.00 -0.65 -0.18 3.49 0.08 -1.26 -4.08 117.98 116.37 1ilf s PHE 69 Ca 0.05 1.25 -0.33 0.00 0.12 0.00 0.00 56.93 58.02 1ilf s PHE 69 Cb -0.14 0.35 -0.10 0.00 -0.57 0.00 0.00 43.02 42.56 1ilf s PHE 69 CO 0.03 -0.54 2.03 -0.35 -0.10 0.00 0.00 175.22 176.30 1ilf n PRO 70 N 1.38 1.88 0.17 0.24 -0.04 -1.26 -4.75 135.00 132.61 1ilf n PRO 70 Ca -0.18 0.63 0.10 0.00 -0.04 0.00 0.00 63.50 64.01 1ilf n PRO 70 Cb 0.56 -2.73 0.56 0.00 -0.04 0.00 0.00 33.50 31.85 1ilf n PRO 70 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ilf n ALA 71 N 8.50 0.97 -0.53 0.55 0.00 -1.26 -2.46 120.51 126.28 1ilf n ALA 71 Ca 0.29 0.19 -0.11 0.00 0.00 0.00 0.00 53.44 53.81 1ilf n ALA 71 Cb 0.31 -1.23 0.03 0.00 0.00 0.00 0.00 19.45 18.57 1ilf n ALA 71 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ilf n SER 72 N -2.23 5.46 -4.79 0.00 2.88 -1.26 -4.92 113.62 108.75 1ilf n SER 72 Ca -0.01 -2.79 -0.39 0.00 -1.33 0.00 0.00 58.87 54.34 1ilf n SER 72 Cb 0.09 -0.97 -0.06 0.00 -0.75 0.00 0.00 64.21 62.52 1ilf n SER 72 CO 0.00 0.00 0.00 0.26 -1.23 0.00 0.00 175.04 174.07 1ilf s TRP 73 N -1.25 3.80 -0.18 0.66 0.52 -1.03 -4.97 118.94 116.49 1ilf s TRP 73 Ca 0.21 1.32 0.12 0.00 0.02 0.00 0.00 56.10 57.78 1ilf s TRP 73 Cb 0.17 -2.57 -0.20 0.00 -1.15 0.00 0.00 33.47 29.72 1ilf s TRP 73 CO 0.01 0.53 -0.00 1.04 0.02 0.00 0.00 176.95 178.54 1ilf n GLN 74 N 1.91 1.00 -3.91 4.98 3.00 -1.26 -4.81 117.38 118.30 1ilf n GLN 74 Ca -0.09 0.03 -0.30 0.00 -0.01 0.00 0.00 57.00 56.63 1ilf n GLN 74 Cb 0.50 -1.45 -0.14 0.00 0.00 0.00 0.00 30.24 29.16 1ilf n GLN 74 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 1ilf s GLY 75 N -5.40 2.14 -0.80 1.08 0.00 -1.26 -5.01 107.32 98.08 1ilf s GLY 75 Ca -0.14 -2.94 -0.12 0.00 0.00 0.00 0.00 44.72 41.52 1ilf s GLY 75 CO 0.67 1.13 1.97 1.18 0.00 0.00 0.00 173.10 178.05 1ilf n GLU 76 N 3.47 1.72 0.00 2.90 4.71 -1.26 -4.45 120.64 127.74 1ilf n GLU 76 Ca 0.05 -1.56 0.00 0.00 -0.01 0.00 0.00 57.16 55.64 1ilf n GLU 76 Cb 0.35 -2.62 0.00 0.00 -1.01 0.00 0.00 31.44 28.16 1ilf n GLU 76 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 1ilf n GLN 77 N 5.42 0.00 -0.13 3.49 6.02 -1.26 -5.10 117.38 125.82 1ilf n GLN 77 Ca 0.44 0.00 -0.08 0.00 -0.01 0.00 0.00 57.00 57.36 1ilf n GLN 77 Cb 0.24 0.00 0.08 0.00 1.02 0.00 0.00 30.24 31.57 1ilf n GLN 77 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1ilf n ARG 78 N 0.00 -1.65 -4.01 -1.09 5.12 -1.26 -5.01 116.66 108.76 1ilf n ARG 78 Ca 0.00 -0.37 -0.30 0.00 -1.93 0.00 0.00 57.85 55.25 1ilf n ARG 78 Cb 0.00 -0.58 -0.16 0.00 -1.16 0.00 0.00 32.46 30.56 1ilf n ARG 78 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 1ilf s GLN 79 N -2.90 2.25 -0.16 5.56 -0.21 -1.26 -5.11 119.66 117.84 1ilf s GLN 79 Ca 0.17 -0.62 0.00 0.00 0.02 0.00 0.00 55.36 54.93 1ilf s GLN 79 Cb -0.03 -2.18 0.03 0.00 1.00 0.00 0.00 33.01 31.83 1ilf s GLN 79 CO 0.14 -0.28 -0.12 0.99 -2.12 0.00 0.00 175.29 173.90 1ilf s THR 80 N 1.47 1.52 -1.05 -0.19 2.01 -1.26 -4.89 115.64 113.24 1ilf s THR 80 Ca 0.04 -0.68 -0.21 0.00 0.31 0.00 0.00 61.69 61.14 1ilf s THR 80 Cb -0.13 -1.48 0.07 0.00 0.01 0.00 0.00 72.50 70.97 1ilf s THR 80 CO -0.10 0.37 1.43 -2.16 -0.69 0.00 0.00 174.62 173.47 1ilf s PRO 81 N 1.49 3.68 0.19 4.92 0.04 -1.26 -4.78 135.00 139.28 1ilf s PRO 81 Ca 0.03 -1.45 -0.23 0.00 0.04 0.00 0.00 61.00 59.40 1ilf s PRO 81 Cb -0.14 -5.29 -0.08 0.00 0.04 0.00 0.00 34.50 29.04 1ilf s PRO 81 CO -0.10 -2.11 0.74 -1.12 0.04 0.00 0.00 177.00 174.46 1ilf s SER 82 N 4.50 7.23 0.26 6.66 0.01 -1.25 -4.83 113.70 126.28 1ilf s SER 82 Ca 0.44 1.53 0.16 0.00 1.31 0.00 0.00 55.95 59.40 1ilf s SER 82 Cb -0.00 -2.46 0.89 0.00 0.21 0.00 0.00 66.02 64.65 1ilf s SER 82 CO -0.07 0.13 1.47 -2.11 0.41 0.00 0.00 173.24 173.08 1ilf n ARG 83 N 1.22 0.11 0.07 12.44 -4.01 -0.57 0.12 116.66 126.03 1ilf n ARG 83 Ca -0.04 0.59 -0.12 0.00 -1.04 0.00 0.00 57.85 57.24 1ilf n ARG 83 Cb 0.50 -1.91 -0.06 0.00 -3.04 0.00 0.00 32.46 27.95 1ilf n ARG 83 CO 0.00 0.00 0.00 0.93 -3.04 0.00 0.00 177.63 175.52 1ilf h GLU 84 N 0.00 -0.12 0.00 2.89 5.08 -1.98 -3.35 114.58 117.10 1ilf h GLU 84 Ca 0.00 0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.29 1ilf h GLU 84 Cb 0.12 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 1ilf h GLU 84 CO 0.00 -0.08 -1.46 0.66 -1.00 0.00 0.00 179.01 177.13 1ilf n TYR 85 N -5.17 0.00 -3.76 4.33 4.02 -0.78 -4.56 117.16 111.25 1ilf n TYR 85 Ca -0.07 0.00 -0.28 0.00 -0.01 0.00 0.00 57.90 57.54 1ilf n TYR 85 Cb 0.10 -0.29 -0.16 0.00 -0.02 0.00 0.00 39.34 38.96 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 -2.35 0.67 -0.10 -0.72 -7.23 0.33 0.60 120.40 111.60 1ilf s VAL 86 Ca -0.03 -0.73 -0.03 0.00 -1.81 0.00 0.00 61.98 59.38 1ilf s VAL 86 Cb 0.04 -1.19 -0.04 0.00 0.56 0.00 0.00 36.38 35.75 1ilf s VAL 86 CO 0.32 -0.25 0.04 -0.62 -0.31 0.00 0.00 175.10 174.28 1ilf s ASP 87 N 1.78 5.55 0.00 4.85 2.15 -1.09 -1.51 116.67 128.41 1ilf s ASP 87 Ca -0.00 0.23 0.00 0.00 0.43 0.00 0.00 52.55 53.21 1ilf s ASP 87 Cb -0.17 -1.64 0.00 0.00 -0.30 0.00 0.00 42.92 40.80 1ilf s ASP 87 CO -0.10 0.38 0.72 0.18 -0.17 0.00 0.00 175.17 176.19 1ilf n LEU 88 N 2.12 1.00 -5.02 -1.34 7.99 -1.26 -4.22 117.00 116.26 1ilf n LEU 88 Ca -0.19 -1.00 -0.18 0.00 -0.01 0.00 0.00 56.01 54.63 1ilf n LEU 88 Cb 0.54 0.00 0.04 0.00 -0.11 0.00 0.00 43.42 43.89 1ilf n LEU 88 CO 0.29 0.25 0.25 -0.70 -1.51 0.00 0.00 177.39 175.97 1ilf s GLU 89 N -0.48 2.56 0.00 3.23 2.12 -1.26 -4.68 118.70 120.20 1ilf s GLU 89 Ca 0.00 -1.41 0.00 0.00 0.36 0.00 0.00 54.97 53.92 1ilf s GLU 89 Cb 0.00 -2.69 0.00 0.00 0.26 0.00 0.00 34.13 31.70 1ilf s GLU 89 CO 0.00 -0.57 0.00 2.89 -0.54 0.00 0.00 175.26 177.04 1ilf n ARG 90 N -2.06 -0.12 0.00 4.30 -4.01 -1.26 -4.43 116.66 109.09 1ilf n ARG 90 Ca 0.12 -0.02 0.01 0.00 -1.04 0.00 0.00 57.85 56.91 1ilf n ARG 90 Cb 0.60 0.04 -0.01 0.00 -3.04 0.00 0.00 32.46 30.05 1ilf n ARG 90 CO 0.00 0.00 0.00 -0.85 -3.04 0.00 0.00 177.63 173.74 1ilf n GLU 91 N -0.11 6.13 0.00 2.89 -0.00 -1.26 -5.10 120.64 123.19 1ilf n GLU 91 Ca 0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 57.16 57.13 1ilf n GLU 91 Cb 0.00 -0.59 0.00 0.00 -0.00 0.00 0.00 31.44 30.85 1ilf n GLU 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1ilf n ALA 92 N -0.98 -0.02 0.00 -1.84 0.00 -1.26 -2.60 120.51 113.82 1ilf n ALA 92 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ilf n ALA 92 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.47 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 0.01 2.49 3.40 0.00 0.00 -1.26 -4.97 105.19 104.87 1ilf n GLY 93 Ca 0.00 -0.67 -0.22 0.00 0.00 0.00 0.00 46.02 45.13 1ilf n GLY 93 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ilf s LYS 94 N 0.00 1.78 -0.09 1.61 3.01 -1.07 -4.21 119.74 120.77 1ilf s LYS 94 Ca 0.00 -2.05 0.03 0.00 -1.01 0.00 0.00 55.97 52.94 1ilf s LYS 94 Cb 0.00 -0.23 0.01 0.00 -1.01 0.00 0.00 37.83 36.59 1ilf s LYS 94 CO 0.00 -0.51 -0.19 0.54 0.51 0.00 0.00 175.35 175.71 1ilf s VAL 95 N -3.39 1.67 -0.05 3.17 0.11 -0.91 -4.63 120.40 116.37 1ilf s VAL 95 Ca 0.32 -0.78 0.00 0.00 -2.93 0.00 0.00 61.98 58.58 1ilf s VAL 95 Cb 0.03 -1.47 -0.03 0.00 -1.53 0.00 0.00 36.38 33.38 1ilf s VAL 95 CO 0.19 0.47 -0.01 -0.72 -3.33 0.00 0.00 175.10 171.70 1ilf s TYR 96 N 0.55 3.08 0.16 1.54 -0.85 -1.26 -1.74 117.35 118.83 1ilf s TYR 96 Ca -0.15 0.11 -0.01 0.00 -0.52 0.00 0.00 57.07 56.49 1ilf s TYR 96 Cb -0.17 -1.72 -0.04 0.00 0.38 0.00 0.00 41.96 40.41 1ilf s TYR 96 CO 0.05 0.44 0.09 -0.48 -1.52 0.00 0.00 175.55 174.14 1ilf s LEU 97 N -1.17 1.52 -0.08 -3.49 0.05 -0.49 -2.66 118.68 112.37 1ilf s LEU 97 Ca 0.16 -1.26 0.00 0.00 0.05 0.00 0.00 54.13 53.08 1ilf s LEU 97 Cb -0.11 0.36 0.02 0.00 -2.05 0.00 0.00 46.19 44.41 1ilf s LEU 97 CO 0.06 -0.78 -0.07 -0.75 -0.55 0.00 0.00 176.35 174.26 1ilf s LYS 98 N -4.09 1.29 -0.05 1.48 2.20 0.20 -2.12 119.74 118.65 1ilf s LYS 98 Ca 0.29 -0.21 0.05 0.00 -0.36 0.00 0.00 55.97 55.74 1ilf s LYS 98 Cb 0.07 -1.29 -0.00 0.00 -1.51 0.00 0.00 37.83 35.09 1ilf s LYS 98 CO 0.05 -0.16 -0.20 0.00 -0.36 0.00 0.00 175.35 174.69 1ilf s ALA 99 N 1.31 1.73 -0.15 3.13 0.00 -0.43 -4.31 121.76 123.04 1ilf s ALA 99 Ca -0.03 -0.80 -0.18 0.00 0.00 0.00 0.00 51.96 50.95 1ilf s ALA 99 Cb -0.14 -0.57 -0.04 0.00 0.00 0.00 0.00 23.12 22.38 1ilf s ALA 99 CO -0.03 0.31 0.50 -1.25 0.00 0.00 0.00 175.76 175.29 1ilf s PRO 100 N 0.02 4.28 0.15 0.00 0.04 -1.26 -1.19 135.00 137.03 1ilf s PRO 100 Ca -0.05 0.44 -0.06 0.00 0.04 0.00 0.00 61.00 61.37 1ilf s PRO 100 Cb -0.13 -3.49 -0.02 0.00 0.04 0.00 0.00 34.50 30.90 1ilf s PRO 100 CO 0.03 0.02 0.20 0.00 0.04 0.00 0.00 177.00 177.29 1ilf s MET 101 N 1.07 1.07 -0.40 4.56 0.23 -0.93 -4.80 119.30 120.09 1ilf s MET 101 Ca 0.25 -1.26 -0.12 0.00 -1.03 0.00 0.00 55.69 53.53 1ilf s MET 101 Cb -0.15 0.33 0.04 0.00 -1.53 0.00 0.00 34.83 33.51 1ilf s MET 101 CO 0.10 -0.36 0.26 0.42 -2.03 0.00 0.00 175.02 173.41 1ilf s ILE 102 N -3.99 4.76 0.07 3.16 -1.09 -1.26 -1.56 121.20 121.30 1ilf s ILE 102 Ca 0.19 -0.91 0.02 0.00 -2.23 0.00 0.00 60.65 57.72 1ilf s ILE 102 Cb 0.05 -3.71 -0.04 0.00 -1.58 0.00 0.00 42.46 37.17 1ilf s ILE 102 CO 0.00 -0.33 0.14 -0.76 -1.23 0.00 0.00 174.94 172.76 1ilf s LEU 103 N 1.58 4.05 0.00 2.97 1.43 -0.34 -4.84 118.68 123.54 1ilf s LEU 103 Ca 0.03 0.11 0.00 0.00 -1.03 0.00 0.00 54.13 53.24 1ilf s LEU 103 Cb -0.20 -2.70 0.00 0.00 0.03 0.00 0.00 46.19 43.32 1ilf s LEU 103 CO 0.07 0.17 0.00 -3.20 0.23 0.00 0.00 176.35 173.61 1ilf n ASN 104 N 0.35 0.00 -4.26 2.29 5.15 -1.26 0.13 115.26 117.65 1ilf n ASN 104 Ca -0.07 0.00 -0.33 0.00 -0.60 0.00 0.00 54.58 53.58 1ilf n ASN 104 Cb 0.51 0.00 -0.08 0.00 -0.53 0.00 0.00 39.78 39.69 1ilf n ASN 104 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1ilf n GLY 105 N 0.02 -0.22 3.57 8.20 0.00 -1.26 -4.90 105.19 110.61 1ilf n GLY 105 Ca 0.00 0.20 -0.14 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 -0.27 1.61 1.01 0.34 -1.95 120.40 116.90 1ilf s VAL 106 Ca 0.06 0.00 -0.26 0.00 0.00 0.00 0.00 61.98 61.78 1ilf s VAL 106 Cb -0.03 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.35 1ilf s VAL 106 CO 0.99 0.00 0.93 0.00 0.00 0.00 0.00 175.10 177.01 1ilf s VAL 108 N 3.12 1.53 -0.07 0.00 -7.23 -0.60 -2.19 120.40 114.97 1ilf s VAL 108 Ca 0.39 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.51 1ilf s VAL 108 Cb -0.14 -2.83 0.03 0.00 0.56 0.00 0.00 36.38 34.00 1ilf s VAL 108 CO 0.10 0.00 0.18 -0.63 -0.31 0.00 0.00 175.10 174.43 1ilf s ILE 109 N -3.00 -0.03 -0.25 -0.62 1.01 0.19 -2.20 121.20 116.31 1ilf s ILE 109 Ca 0.33 0.11 -0.06 0.00 0.00 0.00 0.00 60.65 61.03 1ilf s ILE 109 Cb 0.09 -0.27 -0.01 0.00 0.01 0.00 0.00 42.46 42.28 1ilf s ILE 109 CO 0.16 0.04 0.04 0.86 0.00 0.00 0.00 174.94 176.04 1ilf s TRP 110 N 0.78 3.07 -0.03 3.97 -0.00 -0.33 0.34 118.94 126.74 1ilf s TRP 110 Ca -0.06 -0.79 0.06 0.00 -0.00 0.00 0.00 56.10 55.32 1ilf s TRP 110 Cb -0.07 -2.20 -0.01 0.00 -0.00 0.00 0.00 33.47 31.19 1ilf s TRP 110 CO -0.04 -0.50 -0.21 0.21 -0.00 0.00 0.00 176.95 176.42 1ilf s LYS 111 N 1.53 1.82 0.00 5.86 2.36 -0.09 -1.31 119.74 129.91 1ilf s LYS 111 Ca 0.05 -0.74 0.00 0.00 -2.55 0.00 0.00 55.97 52.73 1ilf s LYS 111 Cb -0.16 -1.68 0.00 0.00 -1.05 0.00 0.00 37.83 34.94 1ilf s LYS 111 CO 0.01 0.40 0.00 0.41 1.55 0.00 0.00 175.35 177.72 1ilf n GLY 112 N 2.73 1.20 3.42 5.54 0.00 -0.90 -0.81 105.19 116.38 1ilf n GLY 112 Ca -0.16 -0.88 -0.23 0.00 0.00 0.00 0.00 46.02 44.75 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 2.13 0.07 1.61 1.48 -0.48 -1.39 118.94 120.36 1ilf s TRP 113 Ca 0.00 -0.39 0.05 0.00 -1.06 0.00 0.00 56.10 54.69 1ilf s TRP 113 Cb 0.00 -0.97 -0.03 0.00 -1.16 0.00 0.00 33.47 31.31 1ilf s TRP 113 CO 0.00 0.57 -0.14 0.96 -4.06 0.00 0.00 176.95 174.28 1ilf s ILE 114 N -2.37 1.08 0.08 0.66 -0.00 -0.71 -1.57 121.20 118.36 1ilf s ILE 114 Ca 0.25 -1.27 -0.23 0.00 -0.00 0.00 0.00 60.65 59.40 1ilf s ILE 114 Cb -0.05 -1.04 -0.06 0.00 -0.00 0.00 0.00 42.46 41.31 1ilf s ILE 114 CO 0.12 -0.22 0.70 1.51 -0.00 0.00 0.00 174.94 177.05 1ilf s ASP 115 N -1.69 7.19 0.00 4.36 1.47 -0.73 -2.14 116.67 125.13 1ilf s ASP 115 Ca -0.02 1.42 0.00 0.00 1.18 0.00 0.00 52.55 55.13 1ilf s ASP 115 Cb -0.10 -2.44 0.00 0.00 -0.34 0.00 0.00 42.92 40.04 1ilf s ASP 115 CO 0.02 0.13 0.74 0.18 0.68 0.00 0.00 175.17 176.93 1ilf n LEU 116 N 2.25 0.09 -0.00 2.11 4.32 -1.26 -0.98 117.00 123.53 1ilf n LEU 116 Ca -0.06 -0.05 -0.01 0.00 -0.02 0.00 0.00 56.01 55.87 1ilf n LEU 116 Cb 0.50 -0.05 -0.00 0.00 -1.62 0.00 0.00 43.42 42.25 1ilf n LEU 116 CO 0.45 0.02 -0.10 1.41 -1.22 0.00 0.00 177.39 177.95 1ilf n HIS 117 N -0.43 0.00 1.01 -1.77 8.25 -1.26 -4.76 115.22 116.25 1ilf n HIS 117 Ca 0.00 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.58 1ilf n HIS 117 Cb 0.02 -0.08 0.26 0.00 1.12 0.00 0.00 29.99 31.31 1ilf n HIS 117 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 1ilf n ARG 118 N -2.97 0.02 -2.20 -0.41 1.85 -1.26 -4.94 116.66 106.75 1ilf n ARG 118 Ca -0.02 -0.01 -0.11 0.00 -1.00 0.00 0.00 57.85 56.71 1ilf n ARG 118 Cb 0.08 -1.50 -0.01 0.00 -1.05 0.00 0.00 32.46 29.98 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 -1.48 -1.50 -4.20 2.89 4.77 -0.15 -4.73 117.00 112.60 1ilf n LEU 119 Ca 0.06 -0.01 -0.24 0.00 -0.03 0.00 0.00 56.01 55.79 1ilf n LEU 119 Cb 0.34 -1.81 -0.14 0.00 -2.33 0.00 0.00 43.42 39.47 1ilf n LEU 119 CO 0.35 -0.12 -0.50 -1.81 -1.33 0.00 0.00 177.39 173.97 1ilf s ASP 120 N -2.50 2.15 0.00 -1.43 1.01 -1.25 -1.02 116.67 113.63 1ilf s ASP 120 Ca 0.00 -0.43 0.00 0.00 0.71 0.00 0.00 52.55 52.83 1ilf s ASP 120 Cb 0.00 -0.19 0.00 0.00 1.01 0.00 0.00 42.92 43.74 1ilf s ASP 120 CO 0.00 0.16 0.00 0.61 0.21 0.00 0.00 175.17 176.15 1ilf n GLY 121 N 2.17 3.50 2.93 0.21 0.00 -0.77 -1.77 105.19 111.46 1ilf n GLY 121 Ca -0.16 -0.09 -0.23 0.00 0.00 0.00 0.00 46.02 45.53 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 4.61 1.25 0.34 1.61 -1.94 -0.61 -2.13 119.30 122.44 1ilf s MET 122 Ca 0.00 -0.22 0.08 0.00 -1.71 0.00 0.00 55.69 53.84 1ilf s MET 122 Cb 0.00 -1.20 -0.07 0.00 2.01 0.00 0.00 34.83 35.57 1ilf s MET 122 CO 0.00 -0.10 -0.06 0.20 -0.01 0.00 0.00 175.02 175.05 1ilf s GLY 123 N 1.08 2.19 -0.13 -0.03 0.00 -0.58 -1.38 107.32 108.47 1ilf s GLY 123 Ca -0.08 -2.10 -0.30 0.00 0.00 0.00 0.00 44.72 42.24 1ilf s GLY 123 CO -0.01 -2.00 0.88 0.00 0.00 0.00 0.00 173.10 171.97 1ilf s LEU 125 N -1.03 4.11 0.08 0.00 1.43 -0.69 -0.91 118.68 121.67 1ilf s LEU 125 Ca -0.05 -0.04 -0.13 0.00 -1.03 0.00 0.00 54.13 52.88 1ilf s LEU 125 Cb -0.01 -2.65 0.02 0.00 0.03 0.00 0.00 46.19 43.58 1ilf s LEU 125 CO 0.04 -0.03 0.31 -0.70 0.23 0.00 0.00 176.35 176.20 1ilf s GLU 126 N -3.76 0.90 -0.04 1.70 2.56 0.15 -4.15 118.70 116.06 1ilf s GLU 126 Ca 0.33 -0.66 -0.01 0.00 0.00 0.00 0.00 54.97 54.63 1ilf s GLU 126 Cb -0.09 0.39 -0.04 0.00 2.00 0.00 0.00 34.13 36.39 1ilf s GLU 126 CO 0.27 -0.31 0.03 0.12 -0.56 0.00 0.00 175.26 174.81 1ilf s PHE 127 N -3.21 3.20 -0.43 5.30 2.19 -1.26 0.57 117.98 124.34 1ilf s PHE 127 Ca -0.00 0.19 -0.22 0.00 0.33 0.00 0.00 56.93 57.23 1ilf s PHE 127 Cb 0.01 -1.75 0.02 0.00 -1.31 0.00 0.00 43.02 39.99 1ilf s PHE 127 CO -0.08 0.51 0.72 0.34 1.83 0.00 0.00 175.22 178.54 1ilf s ASP 128 N -1.29 6.40 0.14 6.13 -1.08 -0.93 -4.88 116.67 121.16 1ilf s ASP 128 Ca 0.18 -0.11 0.20 0.00 -0.52 0.00 0.00 52.55 52.30 1ilf s ASP 128 Cb -0.12 -2.36 -0.06 0.00 -1.46 0.00 0.00 42.92 38.93 1ilf s ASP 128 CO 0.08 -0.82 0.95 -0.62 0.52 0.00 0.00 175.17 175.28 1ilf n GLU 129 N 6.46 0.61 -0.02 4.34 1.02 -1.26 -2.55 120.64 129.24 1ilf n GLU 129 Ca 0.01 0.17 -0.13 0.00 -0.02 0.00 0.00 57.16 57.19 1ilf n GLU 129 Cb 0.48 -1.82 -0.10 0.00 -0.02 0.00 0.00 31.44 29.98 1ilf n GLU 129 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1ilf h GLU 130 N 0.00 -0.04 0.03 3.49 4.81 -2.00 -3.30 114.58 117.57 1ilf h GLU 130 Ca -0.07 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 58.93 1ilf h GLU 130 Cb 1.24 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.63 1ilf h GLU 130 CO 0.02 0.61 -1.01 -0.09 -0.73 0.00 0.00 179.01 177.81 1ilf h ARG 131 N -0.76 0.36 -1.13 1.92 9.65 -1.99 -3.27 114.38 119.16 1ilf h ARG 131 Ca -0.00 -0.43 0.32 0.00 -1.10 0.00 0.00 59.98 58.77 1ilf h ARG 131 Cb 0.67 0.13 -0.11 0.00 -1.39 0.00 0.00 29.97 29.27 1ilf h ARG 131 CO 0.01 1.12 0.72 0.00 2.80 0.00 0.00 179.97 184.62 1ilf h ALA 132 N 0.72 2.38 -0.12 2.80 0.00 -1.61 0.78 119.26 124.21 1ilf h ALA 132 Ca -0.09 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1ilf h ALA 132 Cb 1.66 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.54 1ilf h ALA 132 CO 0.17 -0.87 -0.01 1.96 0.00 0.00 0.00 179.25 180.50 1ilf h GLN 133 N 0.29 0.22 -0.57 0.00 1.08 -1.63 -3.03 115.11 111.47 1ilf h GLN 133 Ca 0.67 -0.08 0.02 0.00 -1.45 0.00 0.00 58.65 57.81 1ilf h GLN 133 Cb 1.86 -0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 29.25 1ilf h GLN 133 CO -0.35 0.48 0.38 1.96 -0.95 0.00 0.00 178.83 180.35 1ilf h GLN 134 N -0.06 0.71 -0.98 1.46 7.50 -1.02 -0.69 115.11 122.03 1ilf h GLN 134 Ca 0.03 -0.04 0.20 0.00 0.50 0.00 0.00 58.65 59.34 1ilf h GLN 134 Cb 0.39 -0.16 -0.09 0.00 0.05 0.00 0.00 27.48 27.66 1ilf h GLN 134 CO 0.01 0.47 0.62 0.93 -1.50 0.00 0.00 178.83 179.35 1ilf h GLU 135 N 0.73 0.62 -0.28 1.46 4.39 -1.23 0.82 114.58 121.09 1ilf h GLU 135 Ca 0.22 -0.04 -0.17 0.00 0.34 0.00 0.00 59.36 59.71 1ilf h GLU 135 Cb -0.02 -0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 28.48 1ilf h GLU 135 CO -0.05 0.41 -0.50 0.22 -1.16 0.00 0.00 179.01 177.93 1ilf h ASP 136 N 0.64 0.85 -0.05 1.42 3.58 -1.16 0.31 116.42 122.00 1ilf h ASP 136 Ca 0.55 -0.43 -0.01 0.00 0.42 0.00 0.00 57.03 57.56 1ilf h ASP 136 Cb 1.03 -0.24 -0.00 0.00 1.72 0.00 0.00 39.33 41.84 1ilf h ASP 136 CO -0.32 1.19 0.00 0.00 -2.88 0.00 0.00 179.24 177.24 1ilf h ALA 137 N 0.83 0.07 -0.31 -0.78 0.00 0.49 0.51 119.26 120.06 1ilf h ALA 137 Ca 0.03 -0.17 -0.18 0.00 0.00 0.00 0.00 54.91 54.59 1ilf h ALA 137 Cb 1.07 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 1ilf h ALA 137 CO 0.11 -0.26 -0.50 -0.07 0.00 0.00 0.00 179.25 178.53 1ilf h LEU 138 N -0.20 0.97 -0.98 0.00 3.38 0.32 -2.89 115.31 115.90 1ilf h LEU 138 Ca 0.01 -0.52 -0.05 0.00 0.09 0.00 0.00 57.88 57.42 1ilf h LEU 138 Cb 0.33 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1ilf h LEU 138 CO 0.00 1.30 -0.24 0.00 0.09 0.00 0.00 178.44 179.59 1ilf h ALA 139 N 0.70 0.99 -3.32 1.53 0.00 -0.37 -3.39 119.26 115.40 1ilf h ALA 139 Ca 0.03 -0.22 -0.59 0.00 0.00 0.00 0.00 54.91 54.13 1ilf h ALA 139 Cb 1.10 -0.04 -0.40 0.00 0.00 0.00 0.00 17.79 18.46 1ilf h ALA 139 CO 0.11 0.30 -0.76 -0.65 0.00 0.00 0.00 179.25 178.26 1ilf s GLN 140 N -3.58 0.95 0.00 0.00 -1.52 0.18 -5.03 119.66 110.66 1ilf s GLN 140 Ca 0.01 -1.07 0.25 0.00 -1.95 0.00 0.00 55.36 52.61 1ilf s GLN 140 Cb 0.10 -2.26 0.43 0.00 -0.22 0.00 0.00 33.01 31.06 1ilf s GLN 140 CO 0.65 -0.87 1.40 1.04 -0.25 0.00 0.00 175.29 177.26