#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 1.14 0.32 0.03 -0.02 -1.26 -4.87 135.00 130.34 1ilf n PRO 2 Ca 0.00 0.29 -0.13 0.00 -2.02 0.00 0.00 63.50 61.65 1ilf n PRO 2 Cb 0.00 -2.58 -0.06 0.00 -0.02 0.00 0.00 33.50 30.84 1ilf n PRO 2 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ilf h ARG 3 N 13.11 -0.81 -6.46 -0.52 3.08 -1.95 -3.43 114.38 117.39 1ilf h ARG 3 Ca -0.28 0.06 -0.53 0.00 0.07 0.00 0.00 59.98 59.30 1ilf h ARG 3 Cb 1.31 0.18 -0.03 0.00 0.08 0.00 0.00 29.97 31.51 1ilf h ARG 3 CO 1.03 -0.54 0.28 0.14 -1.07 0.00 0.00 179.97 179.82 1ilf s VAL 4 N -4.36 4.59 0.38 2.04 -7.23 -1.26 -4.10 120.40 110.46 1ilf s VAL 4 Ca -0.12 1.90 -0.16 0.00 -1.81 0.00 0.00 61.98 61.79 1ilf s VAL 4 Cb 0.01 -4.24 -0.09 0.00 0.56 0.00 0.00 36.38 32.62 1ilf s VAL 4 CO 0.37 0.34 0.83 0.68 -0.31 0.00 0.00 175.10 177.00 1ilf s VAL 5 N -0.03 4.60 0.12 1.32 -7.23 -0.55 -4.95 120.40 113.68 1ilf s VAL 5 Ca 0.44 1.08 -0.07 0.00 -1.81 0.00 0.00 61.98 61.62 1ilf s VAL 5 Cb -0.22 -3.64 0.15 0.00 0.56 0.00 0.00 36.38 33.23 1ilf s VAL 5 CO 0.27 -0.32 0.74 -2.65 -0.31 0.00 0.00 175.10 172.83 1ilf n PRO 6 N -0.70 -0.09 -3.89 4.82 -0.02 -1.26 -1.94 135.00 131.91 1ilf n PRO 6 Ca 0.05 0.74 -0.29 0.00 -2.02 0.00 0.00 63.50 61.98 1ilf n PRO 6 Cb 0.54 -1.10 -0.13 0.00 -0.02 0.00 0.00 33.50 32.79 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 -5.15 4.49 0.17 2.55 1.11 -1.26 -4.93 116.67 113.64 1ilf s ASP 7 Ca -0.07 -3.50 -0.15 0.00 0.18 0.00 0.00 52.55 49.02 1ilf s ASP 7 Cb 0.11 -1.57 0.07 0.00 1.07 0.00 0.00 42.92 42.60 1ilf s ASP 7 CO 0.35 -0.14 1.80 1.56 1.18 0.00 0.00 175.17 179.92 1ilf h GLN 8 N 5.83 0.50 0.00 8.23 7.50 -1.68 0.11 115.11 135.59 1ilf h GLN 8 Ca 0.07 -0.03 -0.02 0.00 0.50 0.00 0.00 58.65 59.17 1ilf h GLN 8 Cb 0.81 -0.11 -0.00 0.00 0.05 0.00 0.00 27.48 28.23 1ilf h GLN 8 CO 0.69 0.33 -0.10 0.07 -1.50 0.00 0.00 178.83 178.31 1ilf h ARG 9 N 0.51 0.00 -0.63 1.46 0.11 -1.91 -1.57 114.38 112.35 1ilf h ARG 9 Ca 0.18 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.23 1ilf h ARG 9 Cb 0.04 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.09 1ilf h ARG 9 CO -0.10 0.10 0.26 1.03 0.10 0.00 0.00 179.97 181.36 1ilf h SER 10 N 0.00 0.84 0.17 0.08 0.87 -1.19 0.54 113.55 114.86 1ilf h SER 10 Ca -0.00 -0.11 -0.31 0.00 -1.23 0.00 0.00 61.79 60.14 1ilf h SER 10 Cb 0.33 -0.22 0.01 0.00 -0.44 0.00 0.00 62.40 62.08 1ilf h SER 10 CO 0.01 0.75 -1.50 0.11 -0.53 0.00 0.00 176.83 175.68 1ilf h LYS 11 N 0.91 0.35 0.00 2.24 6.56 -1.18 0.87 116.57 126.33 1ilf h LYS 11 Ca 0.22 -0.60 -0.00 0.00 -1.06 0.00 0.00 60.65 59.20 1ilf h LYS 11 Cb 0.17 0.22 -0.00 0.00 -0.57 0.00 0.00 32.23 32.05 1ilf h LYS 11 CO -0.02 1.29 -0.02 0.35 -2.06 0.00 0.00 179.45 178.99 1ilf h PHE 12 N -0.08 0.00 0.00 -1.35 3.04 -1.21 0.55 116.94 117.88 1ilf h PHE 12 Ca -0.30 0.00 -0.29 0.00 3.98 0.00 0.00 57.97 61.36 1ilf h PHE 12 Cb 1.94 0.00 -0.06 0.00 2.56 0.00 0.00 35.95 40.40 1ilf h PHE 12 CO 0.12 0.02 -2.30 -0.85 -2.02 0.00 0.00 178.31 173.29 1ilf n GLU 13 N -3.14 0.68 -0.07 1.11 0.28 0.19 -4.43 120.64 115.27 1ilf n GLU 13 Ca -0.01 -0.04 -0.04 0.00 -0.16 0.00 0.00 57.16 56.91 1ilf n GLU 13 Cb 0.25 -1.53 -0.13 0.00 1.43 0.00 0.00 31.44 31.46 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 -2.66 0.90 -4.75 -1.84 5.15 0.30 -4.94 115.26 107.42 1ilf n ASN 14 Ca -0.27 0.00 -0.41 0.00 -0.60 0.00 0.00 54.58 53.30 1ilf n ASN 14 Cb 1.04 1.11 -0.02 0.00 -0.53 0.00 0.00 39.78 41.38 1ilf n ASN 14 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1ilf s GLU 15 N -2.59 4.21 -0.01 1.20 0.41 0.19 -4.91 118.70 117.20 1ilf s GLU 15 Ca -0.08 2.41 -0.17 0.00 -0.41 0.00 0.00 54.97 56.72 1ilf s GLU 15 Cb 0.06 -3.06 -0.10 0.00 -1.78 0.00 0.00 34.13 29.26 1ilf s GLU 15 CO 0.69 -0.47 0.80 1.05 -0.49 0.00 0.00 175.26 176.85 1ilf h GLU 16 N 4.48 -0.60 -0.31 1.61 4.11 -1.94 0.38 114.58 122.31 1ilf h GLU 16 Ca -0.47 0.04 -0.03 0.00 0.07 0.00 0.00 59.36 58.97 1ilf h GLU 16 Cb 1.22 0.14 -0.02 0.00 0.50 0.00 0.00 28.75 30.59 1ilf h GLU 16 CO 0.75 -0.40 0.08 0.35 0.07 0.00 0.00 179.01 179.86 1ilf h PHE 17 N -1.01 0.44 0.00 2.06 3.04 -1.97 0.62 116.94 120.13 1ilf h PHE 17 Ca -0.06 -0.02 -0.05 0.00 3.98 0.00 0.00 57.97 61.81 1ilf h PHE 17 Cb 0.48 -0.14 -0.01 0.00 2.56 0.00 0.00 35.95 38.84 1ilf h PHE 17 CO 0.02 0.39 -0.25 0.35 -2.02 0.00 0.00 178.31 176.80 1ilf h PHE 18 N 0.44 0.00 0.00 0.41 3.04 -1.89 -1.23 116.94 117.72 1ilf h PHE 18 Ca 0.11 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.06 1ilf h PHE 18 Cb 0.16 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.67 1ilf h PHE 18 CO 0.01 0.25 -0.16 0.00 -2.02 0.00 0.00 178.31 176.38 1ilf h ARG 19 N 0.00 0.00 -0.99 1.11 2.47 0.30 0.46 114.38 117.73 1ilf h ARG 19 Ca -0.00 0.00 0.29 0.00 -1.26 0.00 0.00 59.98 59.00 1ilf h ARG 19 Cb 0.78 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 29.06 1ilf h ARG 19 CO 0.03 0.00 0.75 1.57 0.56 0.00 0.00 179.97 182.88 1ilf h LYS 20 N -0.71 0.00 0.08 0.04 2.10 -0.01 0.97 116.57 119.05 1ilf h LYS 20 Ca 0.00 0.00 -0.33 0.00 -2.00 0.00 0.00 60.65 58.32 1ilf h LYS 20 Cb 0.16 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.47 1ilf h LYS 20 CO 0.00 0.00 -1.80 -0.07 -2.00 0.00 0.00 179.45 175.58 1ilf h LEU 21 N 0.00 0.28 -1.38 7.07 3.38 -1.34 -3.31 115.31 120.01 1ilf h LEU 21 Ca 0.47 -0.55 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1ilf h LEU 21 Cb 1.97 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 42.63 1ilf h LEU 21 CO -0.00 1.49 0.27 -1.28 0.09 0.00 0.00 178.44 179.00 1ilf h SER 22 N 0.05 0.00 -3.51 -0.43 0.87 0.58 -2.29 113.55 108.82 1ilf h SER 22 Ca -0.34 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.22 1ilf h SER 22 Cb 2.03 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.99 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 -2.39 1.27 -4.29 2.24 5.12 -0.56 -3.77 116.66 114.28 1ilf n ARG 23 Ca -0.01 0.00 -0.33 0.00 -1.93 0.00 0.00 57.85 55.58 1ilf n ARG 23 Cb 0.30 0.00 -0.09 0.00 -1.16 0.00 0.00 32.46 31.51 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 -1.22 2.82 0.00 5.56 -1.05 -1.26 -2.09 118.70 121.46 1ilf s GLU 24 Ca 0.00 -0.58 0.00 0.00 -0.15 0.00 0.00 54.97 54.24 1ilf s GLU 24 Cb 0.00 -2.69 0.00 0.00 -0.44 0.00 0.00 34.13 31.00 1ilf s GLU 24 CO 0.00 0.64 0.00 0.00 0.95 0.00 0.00 175.26 176.85 1ilf s GLU 26 N 0.34 3.99 0.26 0.00 2.02 -1.26 -1.23 118.70 122.82 1ilf s GLU 26 Ca 0.00 -0.31 0.08 0.00 0.02 0.00 0.00 54.97 54.77 1ilf s GLU 26 Cb 0.00 -3.57 -0.04 0.00 0.10 0.00 0.00 34.13 30.62 1ilf s GLU 26 CO 0.00 -0.05 0.11 0.96 0.02 0.00 0.00 175.26 176.30 1ilf s ILE 27 N 1.37 3.98 0.18 -1.63 -4.36 -0.56 -1.79 121.20 118.39 1ilf s ILE 27 Ca 0.07 -1.62 -0.19 0.00 -0.26 0.00 0.00 60.65 58.64 1ilf s ILE 27 Cb -0.15 -3.16 0.04 0.00 1.25 0.00 0.00 42.46 40.45 1ilf s ILE 27 CO 0.07 -0.35 0.54 -1.59 0.24 0.00 0.00 174.94 173.85 1ilf s LYS 28 N -3.78 1.32 0.18 0.37 0.00 -0.44 -0.40 119.74 116.98 1ilf s LYS 28 Ca 0.33 -0.71 -0.28 0.00 0.00 0.00 0.00 55.97 55.31 1ilf s LYS 28 Cb -0.07 0.54 -0.08 0.00 0.00 0.00 0.00 37.83 38.22 1ilf s LYS 28 CO 0.23 -0.56 0.87 0.71 0.00 0.00 0.00 175.35 176.60 1ilf s TYR 29 N -3.82 3.91 0.00 1.78 1.51 -0.18 0.50 117.35 121.05 1ilf s TYR 29 Ca 0.05 1.76 0.00 0.00 -1.01 0.00 0.00 57.07 57.88 1ilf s TYR 29 Cb -0.01 -2.91 0.00 0.00 -0.11 0.00 0.00 41.96 38.93 1ilf s TYR 29 CO -0.07 0.42 0.49 -2.37 -1.11 0.00 0.00 175.55 172.91 1ilf n THR 30 N 1.87 0.00 -0.00 -0.71 5.66 -1.26 -4.87 114.28 114.96 1ilf n THR 30 Ca -0.03 0.00 -0.00 0.00 -3.05 0.00 0.00 64.05 60.97 1ilf n THR 30 Cb 0.48 0.18 -0.00 0.00 -1.55 0.00 0.00 70.33 69.44 1ilf n THR 30 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1ilf n GLY 31 N 0.00 -0.45 0.15 1.09 0.00 -1.26 -4.83 105.19 99.88 1ilf n GLY 31 Ca -0.10 -0.02 0.01 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.60 0.11 0.94 1.61 -1.74 -1.26 -4.55 117.46 109.96 1ilf n PHE 32 Ca -0.01 -0.49 0.12 0.00 -0.56 0.00 0.00 57.45 56.52 1ilf n PHE 32 Cb 0.03 -0.04 0.29 0.00 1.52 0.00 0.00 39.48 41.28 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 -0.26 0.04 0.08 3.97 0.00 -1.26 -4.01 116.66 115.22 1ilf n ARG 33 Ca 0.03 0.01 0.04 0.00 -0.00 0.00 0.00 57.85 57.93 1ilf n ARG 33 Cb 0.29 -1.53 0.20 0.00 -0.00 0.00 0.00 32.46 31.42 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 -1.59 0.19 0.00 2.89 5.75 -1.26 -2.37 116.55 120.16 1ilf n ASP 34 Ca 0.05 0.49 0.00 0.00 -0.01 0.00 0.00 54.79 55.32 1ilf n ASP 34 Cb 0.35 -0.48 0.00 0.00 -1.03 0.00 0.00 41.12 39.96 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 -1.71 0.00 -1.98 0.11 3.00 -1.26 -4.89 116.66 109.93 1ilf n ARG 35 Ca -0.00 0.00 -0.38 0.00 -0.01 0.00 0.00 57.85 57.46 1ilf n ARG 35 Cb 0.18 0.00 0.04 0.00 0.00 0.00 0.00 32.46 32.67 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 -2.41 2.85 -0.32 5.56 -0.04 -1.25 -4.82 135.00 134.56 1ilf n PRO 36 Ca 0.00 -3.65 0.18 0.00 -0.04 0.00 0.00 63.50 59.99 1ilf n PRO 36 Cb 0.00 -2.27 0.36 0.00 -0.04 0.00 0.00 33.50 31.56 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 2.91 0.30 -0.34 0.54 2.76 -1.75 1.37 115.15 120.94 1ilf h HIS 37 Ca 0.53 0.06 -0.03 0.00 -2.20 0.00 0.00 60.37 58.73 1ilf h HIS 37 Cb 0.18 0.03 -0.02 0.00 1.55 0.00 0.00 27.41 29.15 1ilf h HIS 37 CO 1.14 -0.37 0.08 1.05 -1.30 0.00 0.00 177.93 178.53 1ilf h GLU 38 N 0.08 0.49 0.18 5.26 9.09 -1.88 0.15 114.58 127.93 1ilf h GLU 38 Ca 0.65 -0.07 -0.35 0.00 0.05 0.00 0.00 59.36 59.64 1ilf h GLU 38 Cb 1.44 -0.09 0.01 0.00 -1.65 0.00 0.00 28.75 28.46 1ilf h GLU 38 CO -0.80 0.45 -1.73 1.49 0.05 0.00 0.00 179.01 178.47 1ilf h GLU 39 N 0.48 0.37 -0.20 1.06 4.57 -0.25 -3.25 114.58 117.37 1ilf h GLU 39 Ca 0.11 -0.63 0.06 0.00 -1.18 0.00 0.00 59.36 57.72 1ilf h GLU 39 Cb 0.18 0.24 -0.01 0.00 -0.16 0.00 0.00 28.75 29.00 1ilf h GLU 39 CO -0.00 1.28 0.30 0.00 -1.18 0.00 0.00 179.01 179.41 1ilf h ARG 40 N 0.10 0.00 -0.55 1.92 2.47 0.19 0.60 114.38 119.11 1ilf h ARG 40 Ca -0.33 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.39 1ilf h ARG 40 Cb 2.09 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 30.38 1ilf h ARG 40 CO 0.17 0.00 0.34 -0.56 0.56 0.00 0.00 179.97 180.48 1ilf h GLN 41 N 0.00 0.73 0.09 0.04 -0.00 -1.01 0.94 115.11 115.91 1ilf h GLN 41 Ca 0.09 -0.05 -0.28 0.00 -0.00 0.00 0.00 58.65 58.41 1ilf h GLN 41 Cb 0.70 -0.16 -0.01 0.00 -0.00 0.00 0.00 27.48 28.01 1ilf h GLN 41 CO -0.00 0.50 -1.41 1.15 -0.00 0.00 0.00 178.83 179.08 1ilf h THR 42 N 0.75 1.29 -0.45 1.86 2.02 -0.06 -2.55 112.91 115.77 1ilf h THR 42 Ca 0.20 -2.94 -0.01 0.00 0.77 0.00 0.00 66.41 64.43 1ilf h THR 42 Cb -0.05 2.79 -0.02 0.00 -1.74 0.00 0.00 68.15 69.13 1ilf h THR 42 CO -0.04 0.83 0.22 0.03 0.37 0.00 0.00 175.52 176.93 1ilf h ARG 43 N 0.05 0.62 0.33 6.66 2.47 0.40 0.96 114.38 125.87 1ilf h ARG 43 Ca -0.19 -0.07 -0.02 0.00 -1.26 0.00 0.00 59.98 58.45 1ilf h ARG 43 Cb 1.97 -0.12 0.00 0.00 -1.65 0.00 0.00 29.97 30.17 1ilf h ARG 43 CO 0.16 0.48 -0.16 0.35 0.56 0.00 0.00 179.97 181.36 1ilf h PHE 44 N 0.62 -0.41 -0.10 3.04 3.57 0.81 0.14 116.94 124.61 1ilf h PHE 44 Ca 0.16 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.68 1ilf h PHE 44 Cb 0.06 0.14 -0.00 0.00 2.79 0.00 0.00 35.95 38.93 1ilf h PHE 44 CO 0.00 -0.15 0.08 0.37 -2.23 0.00 0.00 178.31 176.39 1ilf h GLN 45 N -1.05 0.00 0.00 1.11 4.15 -1.27 0.43 115.11 118.48 1ilf h GLN 45 Ca -0.05 0.00 -0.12 0.00 0.77 0.00 0.00 58.65 59.26 1ilf h GLN 45 Cb 0.45 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.12 1ilf h GLN 45 CO 0.07 0.00 -0.56 -0.97 -1.93 0.00 0.00 178.83 175.44 1ilf h ASN 46 N 0.00 0.00 0.62 -0.69 -1.24 1.00 -3.02 115.58 112.25 1ilf h ASN 46 Ca 0.05 0.00 -0.14 0.00 0.71 0.00 0.00 56.30 56.91 1ilf h ASN 46 Cb 0.21 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.25 1ilf h ASN 46 CO -0.00 0.56 -0.67 0.00 -1.29 0.00 0.00 177.43 176.03 1ilf h ALA 47 N 1.44 0.87 0.00 1.57 0.00 0.27 -2.05 119.26 121.35 1ilf h ALA 47 Ca -0.01 -0.61 -0.00 0.00 0.00 0.00 0.00 54.91 54.29 1ilf h ALA 47 Cb 1.43 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.12 1ilf h ALA 47 CO 0.07 0.82 -0.02 0.00 0.00 0.00 0.00 179.25 180.12 1ilf h ARG 49 N 0.00 0.00 -0.63 0.00 2.43 -1.38 -3.07 114.38 111.72 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 0.30 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 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 -3.28 3.79 -2.99 -3.80 9.92 0.07 -4.69 116.55 115.56 1ilf n ASP 50 Ca 0.02 -1.99 -0.22 0.00 -0.53 0.00 0.00 54.79 52.06 1ilf n ASP 50 Cb 0.70 -0.42 0.03 0.00 -0.64 0.00 0.00 41.12 40.79 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 1.55 -0.52 3.24 0.44 0.00 -0.46 -4.91 105.19 104.53 1ilf n GLY 51 Ca 0.23 0.12 -0.11 0.00 0.00 0.00 0.00 46.02 46.26 1ilf n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ilf s ARG 52 N -5.67 0.36 0.12 1.61 0.52 -0.53 0.53 118.95 115.88 1ilf s ARG 52 Ca 0.29 0.79 -0.05 0.00 -0.52 0.00 0.00 55.73 56.23 1ilf s ARG 52 Cb -0.13 0.00 -0.02 0.00 0.52 0.00 0.00 34.95 35.32 1ilf s ARG 52 CO 0.35 -0.17 0.15 -1.54 0.02 0.00 0.00 175.30 174.11 1ilf s SER 53 N 1.54 0.20 -0.30 0.23 1.04 -0.93 -4.18 113.70 111.30 1ilf s SER 53 Ca -0.08 -0.94 -0.00 0.00 0.48 0.00 0.00 55.95 55.41 1ilf s SER 53 Cb -0.09 0.34 0.09 0.00 0.10 0.00 0.00 66.02 66.46 1ilf s SER 53 CO -0.12 -0.77 0.08 -0.70 0.98 0.00 0.00 173.24 172.71 1ilf s GLU 54 N -3.96 0.86 0.15 4.02 2.12 -1.26 -2.02 118.70 118.61 1ilf s GLU 54 Ca 0.15 -1.11 0.10 0.00 0.36 0.00 0.00 54.97 54.47 1ilf s GLU 54 Cb 0.05 -2.18 -0.04 0.00 0.26 0.00 0.00 34.13 32.22 1ilf s GLU 54 CO -0.03 -0.92 -0.18 0.96 -0.54 0.00 0.00 175.26 174.55 1ilf s ILE 55 N 1.54 2.79 0.19 -3.70 -0.00 -0.55 -4.49 121.20 116.98 1ilf s ILE 55 Ca 0.08 -1.68 -0.00 0.00 -0.00 0.00 0.00 60.65 59.04 1ilf s ILE 55 Cb -0.18 -2.32 -0.04 0.00 -0.00 0.00 0.00 42.46 39.92 1ilf s ILE 55 CO -0.20 -0.01 0.37 0.00 -0.00 0.00 0.00 174.94 175.10 1ilf s ALA 56 N -1.42 3.85 -0.22 2.27 0.00 0.18 -1.13 121.76 125.30 1ilf s ALA 56 Ca 0.20 -0.84 -0.07 0.00 0.00 0.00 0.00 51.96 51.25 1ilf s ALA 56 Cb -0.09 -1.97 -0.03 0.00 0.00 0.00 0.00 23.12 21.03 1ilf s ALA 56 CO 0.11 0.47 0.05 0.12 0.00 0.00 0.00 175.76 176.51 1ilf s PHE 57 N -1.84 3.10 -0.03 0.00 5.36 0.74 -1.33 117.98 123.99 1ilf s PHE 57 Ca 0.38 -0.32 0.16 0.00 -0.96 0.00 0.00 56.93 56.19 1ilf s PHE 57 Cb -0.11 -2.16 0.28 0.00 -0.34 0.00 0.00 43.02 40.69 1ilf s PHE 57 CO 0.29 -0.21 1.54 0.28 -1.46 0.00 0.00 175.22 175.65 1ilf h VAL 58 N 5.36 0.90 -0.12 3.12 2.07 -1.67 0.97 116.25 126.89 1ilf h VAL 58 Ca -0.37 -2.02 0.04 0.00 0.82 0.00 0.00 66.70 65.17 1ilf h VAL 58 Cb 1.18 2.27 -0.06 0.00 -1.52 0.00 0.00 31.29 33.15 1ilf h VAL 58 CO 0.61 0.47 -0.37 0.00 0.02 0.00 0.00 177.57 178.30 1ilf h ALA 59 N 1.52 -0.50 0.00 1.67 0.00 -1.95 -3.29 119.26 116.71 1ilf h ALA 59 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ilf h ALA 59 Cb 1.23 0.70 0.00 0.00 0.00 0.00 0.00 17.79 19.72 1ilf h ALA 59 CO 0.06 -0.87 -0.13 0.25 0.00 0.00 0.00 179.25 178.56 1ilf n THR 60 N -5.43 0.88 -3.50 0.00 -2.24 -1.25 -5.01 114.28 97.73 1ilf n THR 60 Ca -0.04 -1.02 -0.19 0.00 -2.27 0.00 0.00 64.05 60.54 1ilf n THR 60 Cb 0.35 0.32 0.08 0.00 -2.10 0.00 0.00 70.33 68.98 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 -0.62 -0.39 3.57 3.38 0.00 0.30 -5.00 105.19 106.43 1ilf n GLY 61 Ca 0.06 0.14 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 1ilf n GLY 61 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1ilf s THR 62 N -3.38 4.21 0.33 2.61 -1.32 -0.96 -4.86 115.64 112.28 1ilf s THR 62 Ca 0.13 -0.25 -0.26 0.00 -1.21 0.00 0.00 61.69 60.11 1ilf s THR 62 Cb -0.06 -2.85 -0.10 0.00 -1.51 0.00 0.00 72.50 67.98 1ilf s THR 62 CO 0.74 0.50 0.95 0.21 -2.21 0.00 0.00 174.62 174.82 1ilf s ASN 63 N 0.15 7.29 -0.06 8.08 3.84 -1.26 -0.18 114.94 132.79 1ilf s ASN 63 Ca 0.01 1.84 -0.02 0.00 0.21 0.00 0.00 52.86 54.90 1ilf s ASN 63 Cb -0.13 -2.58 0.04 0.00 -0.55 0.00 0.00 41.25 38.03 1ilf s ASN 63 CO 0.02 -0.11 0.10 -0.76 -2.79 0.00 0.00 177.10 173.56 1ilf s LEU 64 N -2.14 0.19 -0.29 3.21 1.43 -0.28 -4.92 118.68 115.88 1ilf s LEU 64 Ca 0.51 0.18 -0.04 0.00 -1.03 0.00 0.00 54.13 53.76 1ilf s LEU 64 Cb -0.18 0.05 0.03 0.00 0.03 0.00 0.00 46.19 46.12 1ilf s LEU 64 CO 0.23 -0.23 0.01 -0.44 0.23 0.00 0.00 176.35 176.16 1ilf s SER 65 N 2.04 4.81 0.14 2.29 0.01 -1.26 -1.48 113.70 120.24 1ilf s SER 65 Ca 0.02 -0.98 0.10 0.00 1.31 0.00 0.00 55.95 56.40 1ilf s SER 65 Cb -0.12 -1.76 -0.04 0.00 0.21 0.00 0.00 66.02 64.31 1ilf s SER 65 CO -0.04 -0.21 -0.23 -0.76 0.41 0.00 0.00 173.24 172.41 1ilf s LEU 66 N 1.36 2.36 -0.34 2.44 1.02 -0.86 -5.03 118.68 119.63 1ilf s LEU 66 Ca -0.01 -0.77 -0.00 0.00 0.02 0.00 0.00 54.13 53.37 1ilf s LEU 66 Cb -0.18 -1.06 0.08 0.00 0.02 0.00 0.00 46.19 45.05 1ilf s LEU 66 CO -0.01 0.10 0.06 -1.10 0.02 0.00 0.00 176.35 175.43 1ilf s GLN 67 N -2.25 2.06 -0.22 1.70 -0.21 -1.26 -2.20 119.66 117.29 1ilf s GLN 67 Ca 0.14 -1.58 -0.06 0.00 0.02 0.00 0.00 55.36 53.87 1ilf s GLN 67 Cb -0.09 -3.27 -0.03 0.00 1.00 0.00 0.00 33.01 30.62 1ilf s GLN 67 CO 0.06 -0.82 0.04 -0.59 -2.12 0.00 0.00 175.29 171.86 1ilf s PHE 68 N 1.12 3.10 0.05 0.91 -0.12 0.19 -4.49 117.98 118.74 1ilf s PHE 68 Ca 0.02 -0.31 -0.26 0.00 -0.05 0.00 0.00 56.93 56.33 1ilf s PHE 68 Cb -0.21 -2.15 0.07 0.00 -0.63 0.00 0.00 43.02 40.11 1ilf s PHE 68 CO -0.04 -0.19 0.62 -0.06 -0.05 0.00 0.00 175.22 175.50 1ilf s PHE 69 N 1.10 -0.57 -0.26 3.49 0.08 -1.26 -4.17 117.98 116.38 1ilf s PHE 69 Ca 0.04 0.70 -0.38 0.00 0.12 0.00 0.00 56.93 57.41 1ilf s PHE 69 Cb -0.14 0.46 -0.14 0.00 -0.57 0.00 0.00 43.02 42.63 1ilf s PHE 69 CO 0.03 -0.72 1.91 -2.30 -0.10 0.00 0.00 175.22 174.04 1ilf n PRO 70 N 0.29 1.33 0.29 0.24 -0.02 -1.26 -4.80 135.00 131.08 1ilf n PRO 70 Ca -0.18 0.46 0.18 0.00 -2.02 0.00 0.00 63.50 61.94 1ilf n PRO 70 Cb 0.61 -2.31 0.94 0.00 -0.02 0.00 0.00 33.50 32.73 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 9.10 1.39 -0.77 3.55 0.00 -1.99 -1.02 119.26 129.52 1ilf h ALA 71 Ca -0.41 -0.00 -0.46 0.00 0.00 0.00 0.00 54.91 54.04 1ilf h ALA 71 Cb 1.31 0.00 -0.23 0.00 0.00 0.00 0.00 17.79 18.88 1ilf h ALA 71 CO 0.98 -0.24 0.59 0.43 0.00 0.00 0.00 179.25 181.01 1ilf n SER 72 N -3.21 5.38 -4.12 0.00 7.64 -1.26 -4.87 113.62 113.18 1ilf n SER 72 Ca -0.01 -3.35 -0.32 0.00 1.01 0.00 0.00 58.87 56.20 1ilf n SER 72 Cb 0.28 -0.89 -0.16 0.00 -1.01 0.00 0.00 64.21 62.43 1ilf n SER 72 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 1ilf s TRP 73 N -2.73 2.50 -0.13 1.43 0.52 -0.39 -4.99 118.94 115.15 1ilf s TRP 73 Ca 0.47 -1.31 0.19 0.00 0.02 0.00 0.00 56.10 55.47 1ilf s TRP 73 Cb 0.38 -1.73 -0.28 0.00 -1.15 0.00 0.00 33.47 30.69 1ilf s TRP 73 CO 0.04 -0.63 0.22 0.00 0.02 0.00 0.00 176.95 176.60 1ilf n GLN 74 N 4.27 0.73 0.00 4.98 10.64 -1.26 -4.90 117.38 131.84 1ilf n GLN 74 Ca -0.20 -0.08 0.00 0.00 -1.83 0.00 0.00 57.00 54.89 1ilf n GLN 74 Cb 0.51 -1.51 0.00 0.00 -0.86 0.00 0.00 30.24 28.38 1ilf n GLN 74 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1ilf n GLY 75 N 1.60 -0.70 2.76 2.61 0.00 -1.26 -5.06 105.19 105.14 1ilf n GLY 75 Ca -0.22 0.28 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 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 3.77 0.31 1.61 1.02 -1.26 -4.75 120.64 121.33 1ilf n GLU 76 Ca 0.00 -4.22 0.19 0.00 -0.02 0.00 0.00 57.16 53.11 1ilf n GLU 76 Cb 0.00 -2.32 1.03 0.00 -0.02 0.00 0.00 31.44 30.13 1ilf n GLU 76 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 1ilf h GLN 77 N 3.30 0.00 -0.65 3.49 4.20 -2.01 -2.65 115.11 120.79 1ilf h GLN 77 Ca 0.46 0.00 0.14 0.00 0.06 0.00 0.00 58.65 59.30 1ilf h GLN 77 Cb 0.33 0.00 -0.12 0.00 0.30 0.00 0.00 27.48 27.99 1ilf h GLN 77 CO 1.18 0.00 -0.09 0.00 -0.67 0.00 0.00 178.83 179.24 1ilf h ARG 78 N 0.00 0.04 -7.12 1.46 2.47 -2.07 -3.41 114.38 105.75 1ilf h ARG 78 Ca 0.01 -0.00 -0.50 0.00 -1.26 0.00 0.00 59.98 58.23 1ilf h ARG 78 Cb 0.14 -0.01 0.05 0.00 -1.65 0.00 0.00 29.97 28.49 1ilf h ARG 78 CO -0.00 0.03 0.24 -0.65 0.56 0.00 0.00 179.97 180.14 1ilf s GLN 79 N -6.19 3.48 0.33 0.04 -1.52 -1.00 -5.07 119.66 109.73 1ilf s GLN 79 Ca -0.14 0.38 -0.20 0.00 -1.95 0.00 0.00 55.36 53.46 1ilf s GLN 79 Cb 0.20 -2.25 -0.10 0.00 -0.22 0.00 0.00 33.01 30.64 1ilf s GLN 79 CO 0.74 -0.41 0.84 -0.08 -0.25 0.00 0.00 175.29 176.13 1ilf s THR 80 N -2.94 4.48 1.02 -0.19 -1.32 -1.26 -5.03 115.64 110.39 1ilf s THR 80 Ca 0.51 1.35 -0.22 0.00 -1.21 0.00 0.00 61.69 62.12 1ilf s THR 80 Cb -0.11 -3.74 -0.10 0.00 -1.51 0.00 0.00 72.50 67.04 1ilf s THR 80 CO 0.48 -0.07 -0.87 -0.81 -2.21 0.00 0.00 174.62 171.15 1ilf n PRO 81 N -0.01 -0.34 -4.15 7.08 -0.04 -1.26 -4.99 135.00 131.29 1ilf n PRO 81 Ca 0.03 -0.09 -0.30 0.00 -0.04 0.00 0.00 63.50 63.10 1ilf n PRO 81 Cb 0.52 -1.22 -0.08 0.00 -0.04 0.00 0.00 33.50 32.68 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 -1.26 4.89 0.00 3.54 0.15 -1.26 -5.00 113.70 114.76 1ilf s SER 82 Ca 0.43 -0.23 0.19 0.00 0.70 0.00 0.00 55.95 57.05 1ilf s SER 82 Cb -0.04 -1.12 0.82 0.00 -1.71 0.00 0.00 66.02 63.97 1ilf s SER 82 CO 0.71 0.17 1.62 0.54 1.20 0.00 0.00 173.24 177.48 1ilf n ARG 83 N 0.57 0.00 -0.13 5.44 5.12 -1.11 -0.81 116.66 125.75 1ilf n ARG 83 Ca -0.11 0.17 -0.09 0.00 -1.93 0.00 0.00 57.85 55.89 1ilf n ARG 83 Cb 0.52 -1.50 -0.00 0.00 -1.16 0.00 0.00 32.46 30.32 1ilf n ARG 83 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 1ilf h GLU 84 N 0.00 0.55 0.00 5.56 5.08 -1.94 -3.30 114.58 120.54 1ilf h GLU 84 Ca 0.00 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 1ilf h GLU 84 Cb 0.33 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.47 1ilf h GLU 84 CO 0.00 0.45 -1.56 0.66 -1.00 0.00 0.00 179.01 177.56 1ilf n TYR 85 N -4.73 0.00 -3.38 4.33 4.02 -1.18 -4.05 117.16 112.16 1ilf n TYR 85 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.77 1ilf n TYR 85 Cb 0.08 -0.29 -0.09 0.00 -0.02 0.00 0.00 39.34 39.02 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 -2.78 -0.53 0.13 -0.72 -7.23 0.01 0.17 120.40 109.45 1ilf s VAL 86 Ca -0.04 -0.12 -0.06 0.00 -1.81 0.00 0.00 61.98 59.95 1ilf s VAL 86 Cb 0.07 -0.81 -0.06 0.00 0.56 0.00 0.00 36.38 36.15 1ilf s VAL 86 CO 0.49 -0.18 0.38 -0.62 -0.31 0.00 0.00 175.10 174.86 1ilf s ASP 87 N 2.49 6.51 -0.00 4.85 2.15 -0.56 -2.73 116.67 129.37 1ilf s ASP 87 Ca 0.11 0.62 0.00 0.00 0.43 0.00 0.00 52.55 53.71 1ilf s ASP 87 Cb -0.15 -2.11 0.00 0.00 -0.30 0.00 0.00 42.92 40.37 1ilf s ASP 87 CO -0.17 0.08 0.83 0.18 -0.17 0.00 0.00 175.17 175.92 1ilf n LEU 88 N 0.27 0.05 -5.02 -1.34 7.99 -1.26 -4.45 117.00 113.25 1ilf n LEU 88 Ca -0.04 -0.69 -0.18 0.00 -0.01 0.00 0.00 56.01 55.09 1ilf n LEU 88 Cb 0.52 -0.01 0.02 0.00 -0.11 0.00 0.00 43.42 43.85 1ilf n LEU 88 CO 0.47 0.17 0.21 -0.70 -1.51 0.00 0.00 177.39 176.03 1ilf s GLU 89 N -0.05 2.68 -0.95 3.23 2.12 -1.26 -5.05 118.70 119.42 1ilf s GLU 89 Ca 0.00 -1.33 -0.02 0.00 0.36 0.00 0.00 54.97 53.98 1ilf s GLU 89 Cb 0.00 -2.72 0.28 0.00 0.26 0.00 0.00 34.13 31.95 1ilf s GLU 89 CO 0.00 -0.45 1.14 2.89 -0.54 0.00 0.00 175.26 178.31 1ilf n ARG 90 N -1.97 3.59 -0.29 4.30 0.00 -1.26 -4.70 116.66 116.33 1ilf n ARG 90 Ca 0.10 -4.56 0.05 0.00 -0.00 0.00 0.00 57.85 53.44 1ilf n ARG 90 Cb 0.60 -2.44 0.18 0.00 -0.00 0.00 0.00 32.46 30.80 1ilf n ARG 90 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1ilf n GLU 91 N 1.52 2.27 0.00 2.89 1.02 -1.26 -4.56 120.64 122.52 1ilf n GLU 91 Ca 0.26 -1.42 0.00 0.00 -0.02 0.00 0.00 57.16 55.98 1ilf n GLU 91 Cb 0.36 -1.52 0.00 0.00 -0.02 0.00 0.00 31.44 30.27 1ilf n GLU 91 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ilf n ALA 92 N 0.48 0.00 0.00 0.62 0.00 -1.26 -5.00 120.51 115.35 1ilf n ALA 92 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1ilf n ALA 92 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.92 1ilf n ALA 92 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ilf n GLY 93 N 0.00 0.62 3.54 0.00 0.00 -1.26 -5.14 105.19 102.95 1ilf n GLY 93 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 1.94 -0.13 1.61 3.01 -1.26 -4.35 119.74 120.55 1ilf s LYS 94 Ca 0.00 -2.18 0.03 0.00 -1.01 0.00 0.00 55.97 52.80 1ilf s LYS 94 Cb 0.00 -0.78 0.01 0.00 -1.01 0.00 0.00 37.83 36.05 1ilf s LYS 94 CO 0.00 -0.43 -0.22 0.54 0.51 0.00 0.00 175.35 175.75 1ilf s VAL 95 N -3.17 2.10 0.13 3.17 0.11 -0.76 -4.56 120.40 117.42 1ilf s VAL 95 Ca 0.23 -0.97 0.08 0.00 -2.93 0.00 0.00 61.98 58.38 1ilf s VAL 95 Cb 0.03 -1.83 -0.04 0.00 -1.53 0.00 0.00 36.38 33.01 1ilf s VAL 95 CO 0.13 0.55 -0.10 -0.72 -3.33 0.00 0.00 175.10 171.63 1ilf s TYR 96 N 0.71 2.69 0.03 1.54 -0.85 -1.26 -0.70 117.35 119.51 1ilf s TYR 96 Ca -0.09 -0.19 -0.01 0.00 -0.52 0.00 0.00 57.07 56.26 1ilf s TYR 96 Cb -0.16 -1.38 -0.03 0.00 0.38 0.00 0.00 41.96 40.77 1ilf s TYR 96 CO 0.01 0.45 -0.03 -0.48 -1.52 0.00 0.00 175.55 173.98 1ilf s LEU 97 N -2.40 2.33 -0.14 -3.49 -0.00 -0.54 -1.50 118.68 112.94 1ilf s LEU 97 Ca 0.22 -0.71 0.02 0.00 -0.00 0.00 0.00 54.13 53.67 1ilf s LEU 97 Cb -0.10 0.15 0.01 0.00 -0.00 0.00 0.00 46.19 46.25 1ilf s LEU 97 CO 0.14 -0.43 -0.20 -0.54 -0.00 0.00 0.00 176.35 175.32 1ilf s LYS 98 N -2.50 2.81 -0.04 1.48 1.02 0.13 -2.29 119.74 120.35 1ilf s LYS 98 Ca -0.06 -0.78 0.03 0.00 0.02 0.00 0.00 55.97 55.18 1ilf s LYS 98 Cb -0.02 -2.31 0.00 0.00 -0.52 0.00 0.00 37.83 34.98 1ilf s LYS 98 CO -0.05 -0.05 -0.13 0.00 -0.92 0.00 0.00 175.35 174.21 1ilf s ALA 99 N 0.91 1.22 -0.33 5.17 0.00 -0.89 -4.40 121.76 123.44 1ilf s ALA 99 Ca -0.06 -0.50 -0.20 0.00 0.00 0.00 0.00 51.96 51.21 1ilf s ALA 99 Cb -0.15 -0.45 -0.01 0.00 0.00 0.00 0.00 23.12 22.52 1ilf s ALA 99 CO -0.03 0.19 0.60 -1.25 0.00 0.00 0.00 175.76 175.27 1ilf s PRO 100 N 0.22 3.77 0.37 0.00 0.04 -1.26 -1.65 135.00 136.48 1ilf s PRO 100 Ca -0.06 0.11 0.06 0.00 0.04 0.00 0.00 61.00 61.15 1ilf s PRO 100 Cb -0.11 -3.77 -0.07 0.00 0.04 0.00 0.00 34.50 30.59 1ilf s PRO 100 CO 0.02 -0.63 0.01 -1.64 0.04 0.00 0.00 177.00 174.80 1ilf s MET 101 N 2.57 1.82 -0.42 4.56 -1.94 -0.72 -4.95 119.30 120.23 1ilf s MET 101 Ca 0.23 -2.01 -0.10 0.00 -1.71 0.00 0.00 55.69 52.11 1ilf s MET 101 Cb -0.15 -1.37 0.07 0.00 2.01 0.00 0.00 34.83 35.39 1ilf s MET 101 CO 0.13 -0.06 0.26 0.42 -0.01 0.00 0.00 175.02 175.76 1ilf s ILE 102 N -2.90 4.37 0.09 2.53 -1.09 -1.26 -1.31 121.20 121.62 1ilf s ILE 102 Ca 0.35 -1.29 0.04 0.00 -2.23 0.00 0.00 60.65 57.52 1ilf s ILE 102 Cb 0.08 -3.63 -0.04 0.00 -1.58 0.00 0.00 42.46 37.29 1ilf s ILE 102 CO 0.17 -0.47 0.06 -0.76 -1.23 0.00 0.00 174.94 172.70 1ilf s LEU 103 N 1.46 3.70 0.00 2.97 1.43 -0.47 -4.85 118.68 122.92 1ilf s LEU 103 Ca 0.03 -0.08 0.00 0.00 -1.03 0.00 0.00 54.13 53.05 1ilf s LEU 103 Cb -0.23 -2.39 0.00 0.00 0.03 0.00 0.00 46.19 43.61 1ilf s LEU 103 CO 0.03 0.16 0.00 -3.20 0.23 0.00 0.00 176.35 173.57 1ilf n ASN 104 N 0.39 0.00 -4.22 2.29 2.85 -1.26 0.14 115.26 115.45 1ilf n ASN 104 Ca -0.09 0.00 -0.33 0.00 -0.11 0.00 0.00 54.58 54.05 1ilf n ASN 104 Cb 0.52 0.00 -0.07 0.00 1.24 0.00 0.00 39.78 41.47 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 0.01 -0.27 3.54 8.20 0.00 -1.26 -4.86 105.19 110.55 1ilf n GLY 105 Ca 0.00 0.21 -0.16 0.00 0.00 0.00 0.00 46.02 46.07 1ilf n GLY 105 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ilf s VAL 106 N -4.17 0.00 -0.33 1.61 1.01 0.37 -1.48 120.40 117.41 1ilf s VAL 106 Ca 0.09 0.00 -0.24 0.00 0.00 0.00 0.00 61.98 61.83 1ilf s VAL 106 Cb -0.05 -1.00 0.01 0.00 0.00 0.00 0.00 36.38 35.34 1ilf s VAL 106 CO 0.98 0.00 0.84 0.00 0.00 0.00 0.00 175.10 176.92 1ilf s VAL 108 N 3.13 2.15 -0.23 0.00 -7.23 -0.43 -1.92 120.40 115.88 1ilf s VAL 108 Ca 0.35 -1.83 -0.03 0.00 -1.81 0.00 0.00 61.98 58.65 1ilf s VAL 108 Cb -0.13 -2.98 0.11 0.00 0.56 0.00 0.00 36.38 33.94 1ilf s VAL 108 CO 0.14 0.00 0.29 -0.63 -0.31 0.00 0.00 175.10 174.60 1ilf s ILE 109 N -2.65 -0.45 -0.28 -0.62 1.01 0.21 -1.75 121.20 116.67 1ilf s ILE 109 Ca 0.38 -0.13 -0.17 0.00 0.00 0.00 0.00 60.65 60.73 1ilf s ILE 109 Cb 0.07 -0.76 -0.03 0.00 0.01 0.00 0.00 42.46 41.74 1ilf s ILE 109 CO 0.20 -0.20 0.45 0.86 0.00 0.00 0.00 174.94 176.26 1ilf s TRP 110 N 2.42 3.24 -0.01 3.97 -0.00 -0.66 -0.45 118.94 127.46 1ilf s TRP 110 Ca 0.09 0.47 0.07 0.00 -0.00 0.00 0.00 56.10 56.73 1ilf s TRP 110 Cb -0.15 -2.68 -0.02 0.00 -0.00 0.00 0.00 33.47 30.62 1ilf s TRP 110 CO -0.16 -0.30 -0.23 0.21 -0.00 0.00 0.00 176.95 176.48 1ilf s LYS 111 N 2.21 1.80 -0.25 5.86 2.36 0.83 -2.10 119.74 130.46 1ilf s LYS 111 Ca 0.18 -0.84 -0.37 0.00 -2.55 0.00 0.00 55.97 52.39 1ilf s LYS 111 Cb -0.16 -1.77 0.15 0.00 -1.05 0.00 0.00 37.83 35.00 1ilf s LYS 111 CO 0.10 0.48 1.31 0.20 1.55 0.00 0.00 175.35 178.99 1ilf s GLY 112 N -0.64 -0.23 0.17 5.54 0.00 -0.97 0.00 107.32 111.20 1ilf s GLY 112 Ca 0.09 1.81 0.10 0.00 0.00 0.00 0.00 44.72 46.72 1ilf s GLY 112 CO -0.00 0.61 -0.17 0.66 0.00 0.00 0.00 173.10 174.19 1ilf s TRP 113 N -2.16 2.48 0.03 1.90 1.48 -0.33 -1.47 118.94 120.86 1ilf s TRP 113 Ca 0.11 -0.28 0.09 0.00 -1.06 0.00 0.00 56.10 54.95 1ilf s TRP 113 Cb -0.01 -1.24 -0.03 0.00 -1.16 0.00 0.00 33.47 31.03 1ilf s TRP 113 CO -0.03 0.48 -0.25 0.42 -4.06 0.00 0.00 176.95 173.50 1ilf s ILE 114 N -1.56 2.04 0.10 0.66 -1.09 0.12 -1.64 121.20 119.84 1ilf s ILE 114 Ca 0.22 -1.27 -0.24 0.00 -2.23 0.00 0.00 60.65 57.13 1ilf s ILE 114 Cb -0.09 -1.73 -0.07 0.00 -1.58 0.00 0.00 42.46 38.99 1ilf s ILE 114 CO 0.12 0.41 0.72 1.51 -1.23 0.00 0.00 174.94 176.47 1ilf s ASP 115 N -1.03 7.25 0.00 3.58 -4.77 -0.65 -1.84 116.67 119.21 1ilf s ASP 115 Ca 0.11 1.48 0.00 0.00 -3.30 0.00 0.00 52.55 50.84 1ilf s ASP 115 Cb -0.10 -2.45 0.00 0.00 -1.09 0.00 0.00 42.92 39.28 1ilf s ASP 115 CO 0.01 0.16 0.70 0.18 0.70 0.00 0.00 175.17 176.93 1ilf n LEU 116 N 2.02 0.16 0.01 2.11 4.77 -1.26 -0.87 117.00 123.94 1ilf n LEU 116 Ca -0.06 -0.08 -0.02 0.00 -0.03 0.00 0.00 56.01 55.83 1ilf n LEU 116 Cb 0.50 -0.08 -0.01 0.00 -2.33 0.00 0.00 43.42 41.50 1ilf n LEU 116 CO 0.45 0.04 -0.12 1.41 -1.33 0.00 0.00 177.39 177.84 1ilf n HIS 117 N -0.38 0.00 0.66 -1.77 8.25 -1.26 -4.78 115.22 115.94 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 0.04 -0.09 0.19 0.00 1.12 0.00 0.00 29.99 31.25 1ilf n HIS 117 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1ilf n ARG 118 N -3.34 0.23 -3.13 -0.41 5.12 -1.25 -4.96 116.66 108.92 1ilf n ARG 118 Ca -0.02 0.06 -0.14 0.00 -1.93 0.00 0.00 57.85 55.82 1ilf n ARG 118 Cb 0.09 -1.64 0.05 0.00 -1.16 0.00 0.00 32.46 29.80 1ilf n ARG 118 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1ilf n LEU 119 N -1.97 -2.90 -3.74 0.55 4.77 -0.05 -4.72 117.00 108.93 1ilf n LEU 119 Ca 0.04 -0.33 -0.13 0.00 -0.03 0.00 0.00 56.01 55.55 1ilf n LEU 119 Cb 0.42 -2.04 -0.09 0.00 -2.33 0.00 0.00 43.42 39.37 1ilf n LEU 119 CO 0.36 0.38 0.05 1.51 -1.33 0.00 0.00 177.39 178.36 1ilf s ASP 120 N -3.27 -0.27 0.00 -1.43 1.47 -1.24 -1.01 116.67 110.92 1ilf s ASP 120 Ca 0.32 0.31 0.00 0.00 1.18 0.00 0.00 52.55 54.35 1ilf s ASP 120 Cb -0.14 0.45 0.00 0.00 -0.34 0.00 0.00 42.92 42.89 1ilf s ASP 120 CO 0.44 -0.37 0.00 0.61 0.68 0.00 0.00 175.17 176.53 1ilf n GLY 121 N 1.70 2.92 2.79 2.12 0.00 0.46 -1.64 105.19 113.54 1ilf n GLY 121 Ca -0.19 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.68 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 3.12 0.04 0.47 1.61 -1.94 -0.65 -1.49 119.30 120.46 1ilf s MET 122 Ca 0.00 0.15 0.05 0.00 -1.71 0.00 0.00 55.69 54.19 1ilf s MET 122 Cb 0.00 -0.30 -0.02 0.00 2.01 0.00 0.00 34.83 36.52 1ilf s MET 122 CO 0.00 -0.15 0.20 0.20 -0.01 0.00 0.00 175.02 175.25 1ilf s GLY 123 N 1.02 2.50 -0.26 -0.03 0.00 -0.37 -1.19 107.32 108.99 1ilf s GLY 123 Ca -0.09 -1.51 -0.27 0.00 0.00 0.00 0.00 44.72 42.85 1ilf s GLY 123 CO -0.03 -1.99 1.20 0.00 0.00 0.00 0.00 173.10 172.29 1ilf s LEU 125 N -0.29 4.30 0.07 0.00 1.43 -0.86 -0.12 118.68 123.21 1ilf s LEU 125 Ca 0.04 0.15 -0.13 0.00 -1.03 0.00 0.00 54.13 53.16 1ilf s LEU 125 Cb -0.03 -2.87 0.02 0.00 0.03 0.00 0.00 46.19 43.33 1ilf s LEU 125 CO -0.08 0.06 0.31 -0.70 0.23 0.00 0.00 176.35 176.17 1ilf s GLU 126 N -3.19 0.89 -0.03 1.70 2.12 0.41 -4.20 118.70 116.40 1ilf s GLU 126 Ca 0.34 -0.65 -0.00 0.00 0.36 0.00 0.00 54.97 55.02 1ilf s GLU 126 Cb -0.11 0.38 -0.04 0.00 0.26 0.00 0.00 34.13 34.63 1ilf s GLU 126 CO 0.28 -0.30 0.03 0.12 -0.54 0.00 0.00 175.26 174.85 1ilf s PHE 127 N -3.16 3.18 -0.44 5.30 2.19 -1.26 0.66 117.98 124.44 1ilf s PHE 127 Ca -0.01 0.17 -0.22 0.00 0.33 0.00 0.00 56.93 57.20 1ilf s PHE 127 Cb 0.01 -1.73 0.02 0.00 -1.31 0.00 0.00 43.02 40.01 1ilf s PHE 127 CO -0.07 0.50 0.73 0.34 1.83 0.00 0.00 175.22 178.55 1ilf s ASP 128 N -1.40 6.38 0.17 6.13 -1.08 -0.81 -4.89 116.67 121.18 1ilf s ASP 128 Ca 0.19 -0.18 0.23 0.00 -0.52 0.00 0.00 52.55 52.27 1ilf s ASP 128 Cb -0.12 -2.36 0.09 0.00 -1.46 0.00 0.00 42.92 39.08 1ilf s ASP 128 CO 0.09 -0.86 1.11 -0.62 0.52 0.00 0.00 175.17 175.41 1ilf n GLU 129 N 6.55 0.49 0.04 4.34 1.02 -1.26 -2.17 120.64 129.64 1ilf n GLU 129 Ca 0.01 0.10 -0.22 0.00 -0.02 0.00 0.00 57.16 57.03 1ilf n GLU 129 Cb 0.48 -1.77 -0.14 0.00 -0.02 0.00 0.00 31.44 29.99 1ilf n GLU 129 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1ilf h GLU 130 N 0.00 0.30 0.10 3.49 5.08 -2.01 -3.36 114.58 118.18 1ilf h GLU 130 Ca 0.00 -0.51 -0.28 0.00 -1.00 0.00 0.00 59.36 57.57 1ilf h GLU 130 Cb 0.91 0.19 -0.01 0.00 0.50 0.00 0.00 28.75 30.34 1ilf h GLU 130 CO 0.00 1.24 -1.34 -0.09 -1.00 0.00 0.00 179.01 177.82 1ilf h ARG 131 N -0.24 0.22 -0.75 2.33 9.65 -1.99 -3.35 114.38 120.24 1ilf h ARG 131 Ca -0.27 -0.37 0.15 0.00 -1.10 0.00 0.00 59.98 58.40 1ilf h ARG 131 Cb 1.80 0.14 -0.14 0.00 -1.39 0.00 0.00 29.97 30.38 1ilf h ARG 131 CO 0.11 1.12 -0.17 0.00 2.80 0.00 0.00 179.97 183.82 1ilf h ALA 132 N 0.62 0.52 -0.83 2.80 0.00 -1.60 0.13 119.26 120.90 1ilf h ALA 132 Ca -0.17 0.29 0.09 0.00 0.00 0.00 0.00 54.91 55.12 1ilf h ALA 132 Cb 1.97 0.56 -0.07 0.00 0.00 0.00 0.00 17.79 20.25 1ilf h ALA 132 CO 0.17 -0.41 0.48 -0.56 0.00 0.00 0.00 179.25 178.93 1ilf h GLN 133 N 0.01 0.80 -0.60 0.00 3.07 -1.71 -1.83 115.11 114.85 1ilf h GLN 133 Ca 0.37 -0.05 -0.06 0.00 0.09 0.00 0.00 58.65 59.00 1ilf h GLN 133 Cb 0.56 -0.18 -0.02 0.00 0.08 0.00 0.00 27.48 27.92 1ilf h GLN 133 CO -0.77 0.53 0.14 1.96 0.09 0.00 0.00 178.83 180.78 1ilf h GLN 134 N 0.83 0.97 -0.99 0.06 1.08 -0.97 -1.71 115.11 114.38 1ilf h GLN 134 Ca 0.39 -0.24 0.23 0.00 -1.45 0.00 0.00 58.65 57.58 1ilf h GLN 134 Cb 0.32 -0.12 -0.09 0.00 -0.05 0.00 0.00 27.48 27.54 1ilf h GLN 134 CO -0.23 0.89 0.63 0.93 -0.95 0.00 0.00 178.83 180.10 1ilf h GLU 135 N 0.88 0.47 -0.18 1.46 4.39 -0.40 0.98 114.58 122.17 1ilf h GLU 135 Ca 0.19 -0.03 -0.19 0.00 0.34 0.00 0.00 59.36 59.67 1ilf h GLU 135 Cb 0.36 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 1ilf h GLU 135 CO 0.00 0.31 -0.65 -0.44 -1.16 0.00 0.00 179.01 177.08 1ilf h ASP 136 N 0.49 0.78 -0.07 1.42 5.19 -1.13 0.25 116.42 123.35 1ilf h ASP 136 Ca 0.55 -0.46 -0.01 0.00 -0.62 0.00 0.00 57.03 56.49 1ilf h ASP 136 Cb 1.26 -0.23 -0.00 0.00 0.18 0.00 0.00 39.33 40.54 1ilf h ASP 136 CO -0.28 1.23 0.01 0.00 -3.12 0.00 0.00 179.24 177.08 1ilf h ALA 137 N 0.77 0.09 -0.23 3.45 0.00 0.15 0.60 119.26 124.09 1ilf h ALA 137 Ca -0.02 -0.15 -0.18 0.00 0.00 0.00 0.00 54.91 54.56 1ilf h ALA 137 Cb 1.24 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1ilf h ALA 137 CO 0.13 -0.25 -0.56 -0.07 0.00 0.00 0.00 179.25 178.50 1ilf h LEU 138 N -0.13 0.89 -1.13 0.00 3.38 0.08 -2.95 115.31 115.45 1ilf h LEU 138 Ca 0.02 -0.56 -0.04 0.00 0.09 0.00 0.00 57.88 57.38 1ilf h LEU 138 Cb 0.30 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1ilf h LEU 138 CO 0.00 1.29 -0.21 0.00 0.09 0.00 0.00 178.44 179.61 1ilf h ALA 139 N 0.62 1.02 -3.25 1.53 0.00 -0.50 -3.39 119.26 115.30 1ilf h ALA 139 Ca -0.00 -0.19 -0.57 0.00 0.00 0.00 0.00 54.91 54.14 1ilf h ALA 139 Cb 1.17 -0.03 -0.40 0.00 0.00 0.00 0.00 17.79 18.53 1ilf h ALA 139 CO 0.12 0.27 -0.76 -0.65 0.00 0.00 0.00 179.25 178.23 1ilf s GLN 140 N -3.65 0.82 0.00 0.00 -0.21 0.21 -5.02 119.66 111.80 1ilf s GLN 140 Ca 0.01 -0.95 0.00 0.00 0.02 0.00 0.00 55.36 54.43 1ilf s GLN 140 Cb 0.10 -2.12 0.00 0.00 1.00 0.00 0.00 33.01 31.99 1ilf s GLN 140 CO 0.63 -0.87 0.48 1.04 -2.12 0.00 0.00 175.29 174.45