#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 4.15 -0.10 0.03 0.04 -1.26 -4.96 135.00 132.90 1ilf s PRO 2 Ca 0.00 1.95 0.20 0.00 0.04 0.00 0.00 61.00 63.19 1ilf s PRO 2 Cb 0.00 -2.81 -0.27 0.00 0.04 0.00 0.00 34.50 31.46 1ilf s PRO 2 CO 0.00 -0.27 0.33 -2.13 0.04 0.00 0.00 177.00 174.97 1ilf n ARG 3 N 0.32 0.67 -4.36 4.56 0.63 -1.26 -4.68 116.66 112.53 1ilf n ARG 3 Ca 0.03 -0.06 -0.26 0.00 -0.92 0.00 0.00 57.85 56.64 1ilf n ARG 3 Cb 0.45 -1.56 -0.17 0.00 0.45 0.00 0.00 32.46 31.64 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 -2.97 1.21 0.29 5.15 -7.23 -1.26 -1.77 120.40 113.83 1ilf s VAL 4 Ca -0.08 -0.47 -0.11 0.00 -1.81 0.00 0.00 61.98 59.50 1ilf s VAL 4 Cb 0.10 -1.14 -0.07 0.00 0.56 0.00 0.00 36.38 35.82 1ilf s VAL 4 CO 0.86 0.38 0.64 0.68 -0.31 0.00 0.00 175.10 177.35 1ilf s VAL 5 N 1.04 4.84 0.18 1.32 -7.23 -0.83 -4.95 120.40 114.77 1ilf s VAL 5 Ca -0.07 0.59 0.05 0.00 -1.81 0.00 0.00 61.98 60.75 1ilf s VAL 5 Cb -0.15 -3.64 0.21 0.00 0.56 0.00 0.00 36.38 33.36 1ilf s VAL 5 CO -0.01 -0.20 0.82 -2.65 -0.31 0.00 0.00 175.10 172.75 1ilf n PRO 6 N -0.46 -0.04 -3.63 4.82 -0.02 -1.26 -2.13 135.00 132.28 1ilf n PRO 6 Ca 0.01 0.76 -0.29 0.00 -2.02 0.00 0.00 63.50 61.96 1ilf n PRO 6 Cb 0.53 -1.27 -0.13 0.00 -0.02 0.00 0.00 33.50 32.61 1ilf n PRO 6 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1ilf s ASP 7 N -4.90 3.38 0.18 2.55 1.01 -1.26 -4.97 116.67 112.66 1ilf s ASP 7 Ca -0.06 -2.54 -0.13 0.00 0.71 0.00 0.00 52.55 50.53 1ilf s ASP 7 Cb 0.16 -0.83 0.09 0.00 1.01 0.00 0.00 42.92 43.35 1ilf s ASP 7 CO 0.41 -0.27 1.84 1.56 0.21 0.00 0.00 175.17 178.91 1ilf h GLN 8 N 6.74 0.80 0.00 8.23 4.20 -1.72 0.27 115.11 133.63 1ilf h GLN 8 Ca 0.03 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.65 1ilf h GLN 8 Cb 0.94 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 28.54 1ilf h GLN 8 CO 0.42 0.55 -0.12 0.00 -0.67 0.00 0.00 178.83 179.00 1ilf h ARG 9 N 0.81 0.00 -0.64 1.46 3.08 -1.93 -1.65 114.38 115.51 1ilf h ARG 9 Ca 0.22 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.22 1ilf h ARG 9 Cb -0.06 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 29.96 1ilf h ARG 9 CO -0.04 0.12 0.22 0.77 -1.07 0.00 0.00 179.97 179.97 1ilf h SER 10 N 0.00 0.88 0.24 7.04 0.02 -1.34 0.57 113.55 120.95 1ilf h SER 10 Ca -0.00 -0.14 -0.35 0.00 -0.84 0.00 0.00 61.79 60.47 1ilf h SER 10 Cb 0.39 -0.23 0.01 0.00 0.14 0.00 0.00 62.40 62.72 1ilf h SER 10 CO 0.02 0.81 -1.68 0.11 -1.14 0.00 0.00 176.83 174.95 1ilf h LYS 11 N 0.93 0.41 0.00 3.45 1.79 -1.24 0.16 116.57 122.07 1ilf h LYS 11 Ca 0.21 -0.70 -0.00 0.00 -2.18 0.00 0.00 60.65 57.98 1ilf h LYS 11 Cb 0.23 0.26 -0.00 0.00 -1.58 0.00 0.00 32.23 31.14 1ilf h LYS 11 CO -0.01 1.32 -0.02 0.35 -1.08 0.00 0.00 179.45 180.01 1ilf h PHE 12 N 0.11 0.00 0.00 -1.35 3.04 -1.23 0.52 116.94 118.03 1ilf h PHE 12 Ca -0.32 0.00 -0.14 0.00 3.98 0.00 0.00 57.97 61.50 1ilf h PHE 12 Cb 2.11 0.00 -0.03 0.00 2.56 0.00 0.00 35.95 40.59 1ilf h PHE 12 CO 0.10 0.02 -2.13 0.39 -2.02 0.00 0.00 178.31 174.68 1ilf n GLU 13 N -3.12 0.69 -0.06 1.11 -0.58 0.20 -4.35 120.64 114.53 1ilf n GLU 13 Ca 0.01 -0.13 -0.05 0.00 -0.42 0.00 0.00 57.16 56.57 1ilf n GLU 13 Cb 0.32 -1.51 -0.10 0.00 -0.57 0.00 0.00 31.44 29.58 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 -2.43 1.96 -4.75 1.62 5.15 0.57 -4.94 115.26 112.44 1ilf n ASN 14 Ca -0.15 0.00 -0.41 0.00 -0.60 0.00 0.00 54.58 53.42 1ilf n ASN 14 Cb 0.78 0.86 -0.02 0.00 -0.53 0.00 0.00 39.78 40.87 1ilf n ASN 14 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1ilf s GLU 15 N -2.34 4.22 0.00 1.20 0.41 0.18 -4.89 118.70 117.47 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 0.04 -3.07 0.00 0.00 -1.78 0.00 0.00 34.13 29.32 1ilf s GLU 15 CO 0.51 -0.47 0.58 -0.85 -0.49 0.00 0.00 175.26 174.53 1ilf n GLU 16 N 1.95 0.00 -0.33 1.61 0.28 -1.26 0.85 120.64 123.74 1ilf n GLU 16 Ca 0.06 0.13 0.12 0.00 -0.16 0.00 0.00 57.16 57.31 1ilf n GLU 16 Cb 0.39 -1.09 0.30 0.00 1.43 0.00 0.00 31.44 32.48 1ilf n GLU 16 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 177.13 177.32 1ilf h PHE 17 N 0.00 0.92 0.00 -1.84 3.04 -1.97 1.32 116.94 118.41 1ilf h PHE 17 Ca 0.00 0.04 -0.02 0.00 3.98 0.00 0.00 57.97 61.96 1ilf h PHE 17 Cb 0.00 -0.26 -0.00 0.00 2.56 0.00 0.00 35.95 38.24 1ilf h PHE 17 CO 0.06 0.16 -0.10 0.35 -2.02 0.00 0.00 178.31 176.76 1ilf h PHE 18 N 0.65 0.00 0.00 0.41 3.04 -1.89 0.41 116.94 119.57 1ilf h PHE 18 Ca 0.55 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.50 1ilf h PHE 18 Cb 0.89 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.40 1ilf h PHE 18 CO -0.05 0.10 -0.08 0.00 -2.02 0.00 0.00 178.31 176.27 1ilf h ARG 19 N 0.00 0.00 -0.59 1.11 3.08 0.79 0.49 114.38 119.26 1ilf h ARG 19 Ca -0.00 0.00 0.17 0.00 0.07 0.00 0.00 59.98 60.22 1ilf h ARG 19 Cb 0.18 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 1ilf h ARG 19 CO 0.01 0.00 0.60 1.57 -1.07 0.00 0.00 179.97 181.08 1ilf h LYS 20 N -0.70 0.00 0.14 0.04 2.10 -0.01 0.48 116.57 118.63 1ilf h LYS 20 Ca 0.00 0.00 -0.36 0.00 -2.00 0.00 0.00 60.65 58.29 1ilf h LYS 20 Cb 0.08 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.40 1ilf h LYS 20 CO 0.00 0.00 -1.92 -0.07 -2.00 0.00 0.00 179.45 175.46 1ilf h LEU 21 N 0.00 0.48 -1.52 7.07 -0.00 -0.27 -3.32 115.31 117.75 1ilf h LEU 21 Ca 0.28 -0.95 0.00 0.00 -0.00 0.00 0.00 57.88 57.21 1ilf h LEU 21 Cb 1.48 -0.16 0.00 0.00 -0.00 0.00 0.00 40.66 41.98 1ilf h LEU 21 CO -0.00 1.84 0.15 -1.28 -0.00 0.00 0.00 178.44 179.15 1ilf h SER 22 N 0.08 0.00 -3.20 -0.43 0.87 0.48 -2.14 113.55 109.21 1ilf h SER 22 Ca -0.40 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.16 1ilf h SER 22 Cb 2.05 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 64.01 1ilf h SER 22 CO 0.11 0.00 0.00 0.54 -0.53 0.00 0.00 176.83 176.95 1ilf n ARG 23 N -2.38 1.63 -4.09 2.24 5.12 -0.43 -3.71 116.66 115.04 1ilf n ARG 23 Ca -0.02 0.00 -0.36 0.00 -1.93 0.00 0.00 57.85 55.55 1ilf n ARG 23 Cb 0.19 0.00 -0.08 0.00 -1.16 0.00 0.00 32.46 31.41 1ilf n ARG 23 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1ilf s GLU 24 N -0.34 3.33 0.00 5.56 2.02 -1.26 -2.02 118.70 125.99 1ilf s GLU 24 Ca 0.00 -0.26 0.00 0.00 0.02 0.00 0.00 54.97 54.73 1ilf s GLU 24 Cb 0.00 -3.04 0.00 0.00 0.10 0.00 0.00 34.13 31.19 1ilf s GLU 24 CO 0.00 0.69 0.00 0.00 0.02 0.00 0.00 175.26 175.97 1ilf s GLU 26 N -0.23 4.06 0.43 0.00 -1.05 -1.26 -1.10 118.70 119.55 1ilf s GLU 26 Ca 0.00 -0.16 0.07 0.00 -0.15 0.00 0.00 54.97 54.73 1ilf s GLU 26 Cb 0.00 -3.58 -0.04 0.00 -0.44 0.00 0.00 34.13 30.07 1ilf s GLU 26 CO 0.00 -0.05 0.18 0.96 0.95 0.00 0.00 175.26 177.31 1ilf s ILE 27 N 1.37 2.15 0.26 1.83 -4.36 -0.64 -1.73 121.20 120.08 1ilf s ILE 27 Ca 0.10 -1.71 -0.15 0.00 -0.26 0.00 0.00 60.65 58.64 1ilf s ILE 27 Cb -0.15 -2.86 0.00 0.00 1.25 0.00 0.00 42.46 40.71 1ilf s ILE 27 CO 0.07 0.00 0.54 -0.54 0.24 0.00 0.00 174.94 175.25 1ilf s LYS 28 N -3.93 1.62 0.34 0.37 1.02 -0.46 -1.44 119.74 117.25 1ilf s LYS 28 Ca 0.38 -1.19 -0.19 0.00 0.02 0.00 0.00 55.97 54.98 1ilf s LYS 28 Cb 0.03 0.51 -0.10 0.00 -0.52 0.00 0.00 37.83 37.75 1ilf s LYS 28 CO 0.21 -0.69 0.83 -0.47 -0.92 0.00 0.00 175.35 174.31 1ilf s TYR 29 N -3.96 3.45 0.00 3.18 5.04 0.15 0.71 117.35 125.92 1ilf s TYR 29 Ca 0.20 1.46 0.00 0.00 -2.44 0.00 0.00 57.07 56.29 1ilf s TYR 29 Cb -0.02 -2.71 0.00 0.00 0.35 0.00 0.00 41.96 39.58 1ilf s TYR 29 CO 0.09 0.09 0.45 0.25 -1.34 0.00 0.00 175.55 175.09 1ilf n THR 30 N -0.11 0.00 0.03 4.34 -2.24 -1.17 -4.56 114.28 110.58 1ilf n THR 30 Ca 0.03 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.80 1ilf n THR 30 Cb 0.53 0.15 -0.01 0.00 -2.10 0.00 0.00 70.33 68.90 1ilf n THR 30 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1ilf h GLY 31 N 0.00 -0.08 -2.18 3.38 0.00 -1.53 -3.44 103.07 99.23 1ilf h GLY 31 Ca -0.17 0.03 -0.11 0.00 0.00 0.00 0.00 47.33 47.08 1ilf h GLY 31 CO -0.09 -0.03 -0.71 1.97 0.00 0.00 0.00 176.54 177.69 1ilf n PHE 32 N -2.45 0.00 0.73 5.60 1.16 -1.26 -4.87 117.46 116.36 1ilf n PHE 32 Ca -0.01 -0.33 0.11 0.00 -1.87 0.00 0.00 57.45 55.35 1ilf n PHE 32 Cb 0.03 0.00 0.48 0.00 -1.61 0.00 0.00 39.48 38.38 1ilf n PHE 32 CO 0.00 0.00 0.00 2.89 -1.87 0.00 0.00 176.76 177.78 1ilf n ARG 33 N 0.26 0.04 0.00 3.97 1.85 -1.26 -3.75 116.66 117.77 1ilf n ARG 33 Ca -0.01 0.15 0.00 0.00 -1.00 0.00 0.00 57.85 56.98 1ilf n ARG 33 Cb 0.92 -1.56 0.00 0.00 -1.05 0.00 0.00 32.46 30.76 1ilf n ARG 33 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 177.63 177.22 1ilf n ASP 34 N -1.63 0.00 0.00 2.89 5.75 -1.26 -2.43 116.55 119.87 1ilf n ASP 34 Ca 0.05 0.25 0.00 0.00 -0.01 0.00 0.00 54.79 55.08 1ilf n ASP 34 Cb 0.28 -0.25 0.00 0.00 -1.03 0.00 0.00 41.12 40.12 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 -1.23 0.00 -2.16 0.11 3.00 -1.25 -4.93 116.66 110.22 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 -0.01 0.03 0.00 0.00 0.00 0.00 32.46 32.66 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 -2.54 3.38 -0.33 5.56 -0.04 -1.24 -4.84 135.00 134.94 1ilf n PRO 36 Ca 0.00 -3.90 -0.02 0.00 -0.04 0.00 0.00 63.50 59.55 1ilf n PRO 36 Cb 0.00 -2.31 0.04 0.00 -0.04 0.00 0.00 33.50 31.19 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 3.19 -0.99 -0.46 0.54 2.76 -1.76 1.57 115.15 120.00 1ilf h HIS 37 Ca 0.52 0.10 0.12 0.00 -2.20 0.00 0.00 60.37 58.91 1ilf h HIS 37 Cb 0.19 0.57 -0.02 0.00 1.55 0.00 0.00 27.41 29.70 1ilf h HIS 37 CO 1.16 -0.40 0.33 1.05 -1.30 0.00 0.00 177.93 178.77 1ilf h GLU 38 N -0.04 0.06 0.12 5.26 4.11 -1.89 0.18 114.58 122.37 1ilf h GLU 38 Ca 0.33 -0.00 -0.31 0.00 0.07 0.00 0.00 59.36 59.44 1ilf h GLU 38 Cb 0.59 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 1ilf h GLU 38 CO -0.91 0.04 -1.57 1.49 0.07 0.00 0.00 179.01 178.13 1ilf h GLU 39 N 0.06 0.24 -0.20 1.06 4.57 0.23 -3.23 114.58 117.32 1ilf h GLU 39 Ca 0.22 -0.42 0.06 0.00 -1.18 0.00 0.00 59.36 58.04 1ilf h GLU 39 Cb 0.80 0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 29.54 1ilf h GLU 39 CO -0.01 1.10 0.30 0.00 -1.18 0.00 0.00 179.01 179.21 1ilf h ARG 40 N 0.07 0.00 -0.83 1.92 -0.00 0.47 0.29 114.38 116.29 1ilf h ARG 40 Ca -0.26 0.00 0.12 0.00 -0.50 0.00 0.00 59.98 59.34 1ilf h ARG 40 Cb 2.02 0.00 -0.08 0.00 0.00 0.00 0.00 29.97 31.91 1ilf h ARG 40 CO 0.16 0.00 0.46 -0.56 0.00 0.00 0.00 179.97 180.02 1ilf h GLN 41 N 0.00 0.70 0.07 0.04 3.07 -1.17 1.23 115.11 119.06 1ilf h GLN 41 Ca 0.09 -0.04 -0.26 0.00 0.09 0.00 0.00 58.65 58.53 1ilf h GLN 41 Cb 0.68 -0.16 -0.01 0.00 0.08 0.00 0.00 27.48 28.07 1ilf h GLN 41 CO -0.00 0.46 -1.25 1.15 0.09 0.00 0.00 178.83 179.28 1ilf h THR 42 N 0.72 1.46 -0.13 1.86 2.02 -0.69 -2.56 112.91 115.60 1ilf h THR 42 Ca 0.42 -3.11 -0.03 0.00 0.77 0.00 0.00 66.41 64.47 1ilf h THR 42 Cb 0.48 2.84 -0.01 0.00 -1.74 0.00 0.00 68.15 69.72 1ilf h THR 42 CO -0.29 0.88 -0.05 0.03 0.37 0.00 0.00 175.52 176.46 1ilf h ARG 43 N 0.04 0.18 0.10 6.66 -0.00 0.19 0.97 114.38 122.52 1ilf h ARG 43 Ca -0.13 -0.03 -0.00 0.00 -0.50 0.00 0.00 59.98 59.32 1ilf h ARG 43 Cb 1.92 -0.03 0.00 0.00 0.00 0.00 0.00 29.97 31.86 1ilf h ARG 43 CO 0.16 0.25 -0.05 0.35 0.00 0.00 0.00 179.97 180.69 1ilf h PHE 44 N 0.18 -0.12 -0.15 3.04 3.57 0.14 -0.10 116.94 123.49 1ilf h PHE 44 Ca 0.04 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.56 1ilf h PHE 44 Cb 0.21 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.98 1ilf h PHE 44 CO 0.00 0.39 0.11 1.96 -2.23 0.00 0.00 178.31 178.54 1ilf h GLN 45 N -0.87 0.13 -0.00 1.11 4.20 -1.14 0.19 115.11 118.72 1ilf h GLN 45 Ca -0.01 -0.01 -0.17 0.00 0.06 0.00 0.00 58.65 58.52 1ilf h GLN 45 Cb 0.57 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.30 1ilf h GLN 45 CO 0.02 0.09 -0.78 -0.91 -0.67 0.00 0.00 178.83 176.58 1ilf h ASN 46 N 0.13 0.08 0.32 1.46 4.21 0.98 -2.69 115.58 120.08 1ilf h ASN 46 Ca 0.06 -0.06 -0.09 0.00 1.21 0.00 0.00 56.30 57.42 1ilf h ASN 46 Cb 0.09 -0.03 -0.01 0.00 -1.12 0.00 0.00 38.32 37.26 1ilf h ASN 46 CO -0.01 0.83 -0.39 0.00 -1.29 0.00 0.00 177.43 176.56 1ilf h ALA 47 N 1.17 1.26 0.00 -0.83 0.00 0.12 0.02 119.26 121.01 1ilf h ALA 47 Ca -0.02 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 1ilf h ALA 47 Cb 1.37 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 1ilf h ALA 47 CO 0.11 0.53 -0.02 0.00 0.00 0.00 0.00 179.25 179.87 1ilf h ARG 49 N 0.00 0.00 -0.02 0.00 2.43 -0.93 -3.17 114.38 112.70 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 0.27 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 1ilf h ARG 49 CO 0.00 0.80 -0.27 -0.25 -1.51 0.00 0.00 179.97 178.74 1ilf n ASP 50 N -3.33 1.80 -1.24 -3.80 9.92 -0.08 -4.47 116.55 115.35 1ilf n ASP 50 Ca 0.01 -1.40 -0.10 0.00 -0.53 0.00 0.00 54.79 52.77 1ilf n ASP 50 Cb 0.85 0.23 0.00 0.00 -0.64 0.00 0.00 41.12 41.56 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 1.35 0.00 3.22 0.44 0.00 0.15 -4.93 105.19 105.42 1ilf n GLY 51 Ca 0.12 -0.44 -0.11 0.00 0.00 0.00 0.00 46.02 45.60 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 -4.65 0.34 0.04 1.61 0.52 -0.64 0.48 118.95 116.65 1ilf s ARG 52 Ca 0.04 0.77 -0.06 0.00 -0.52 0.00 0.00 55.73 55.95 1ilf s ARG 52 Cb -0.02 -0.00 -0.01 0.00 0.52 0.00 0.00 34.95 35.45 1ilf s ARG 52 CO 0.05 -0.18 0.12 0.45 0.02 0.00 0.00 175.30 175.76 1ilf s SER 53 N 1.58 0.15 -0.34 0.23 0.15 -0.73 -4.33 113.70 110.41 1ilf s SER 53 Ca -0.08 -0.51 0.03 0.00 0.70 0.00 0.00 55.95 56.09 1ilf s SER 53 Cb -0.09 0.25 0.10 0.00 -1.71 0.00 0.00 66.02 64.56 1ilf s SER 53 CO -0.12 -0.53 0.07 -0.70 1.20 0.00 0.00 173.24 173.15 1ilf s GLU 54 N -2.70 1.34 0.06 5.44 2.12 -1.26 -1.92 118.70 121.77 1ilf s GLU 54 Ca -0.04 -1.74 0.06 0.00 0.36 0.00 0.00 54.97 53.61 1ilf s GLU 54 Cb -0.01 -2.97 -0.04 0.00 0.26 0.00 0.00 34.13 31.38 1ilf s GLU 54 CO -0.05 -0.95 -0.11 0.96 -0.54 0.00 0.00 175.26 174.56 1ilf s ILE 55 N 1.01 3.29 0.33 -3.70 -0.00 -0.20 -1.21 121.20 120.72 1ilf s ILE 55 Ca 0.11 -1.10 -0.07 0.00 -0.00 0.00 0.00 60.65 59.58 1ilf s ILE 55 Cb -0.19 -2.47 -0.06 0.00 -0.00 0.00 0.00 42.46 39.74 1ilf s ILE 55 CO -0.11 0.26 0.64 0.00 -0.00 0.00 0.00 174.94 175.72 1ilf s ALA 56 N -1.07 3.51 -0.19 2.27 0.00 0.22 -0.77 121.76 125.72 1ilf s ALA 56 Ca 0.18 -0.40 -0.03 0.00 0.00 0.00 0.00 51.96 51.71 1ilf s ALA 56 Cb -0.11 -2.47 -0.01 0.00 0.00 0.00 0.00 23.12 20.53 1ilf s ALA 56 CO 0.10 0.16 -0.05 0.12 0.00 0.00 0.00 175.76 176.09 1ilf s PHE 57 N -2.17 2.96 -0.04 0.00 5.36 0.81 -1.36 117.98 123.54 1ilf s PHE 57 Ca 0.47 -0.72 0.17 0.00 -0.96 0.00 0.00 56.93 55.89 1ilf s PHE 57 Cb -0.11 -2.04 0.29 0.00 -0.34 0.00 0.00 43.02 40.83 1ilf s PHE 57 CO 0.30 -0.37 1.55 0.28 -1.46 0.00 0.00 175.22 175.51 1ilf h VAL 58 N 5.53 0.87 -0.68 3.12 2.07 -1.64 0.39 116.25 125.90 1ilf h VAL 58 Ca -0.36 -1.98 0.15 0.00 0.82 0.00 0.00 66.70 65.32 1ilf h VAL 58 Cb 1.18 2.25 -0.11 0.00 -1.52 0.00 0.00 31.29 33.08 1ilf h VAL 58 CO 0.60 0.45 0.03 0.00 0.02 0.00 0.00 177.57 178.67 1ilf h ALA 59 N 1.54 0.72 0.00 1.67 0.00 -1.95 -3.25 119.26 117.98 1ilf h ALA 59 Ca -0.00 0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1ilf h ALA 59 Cb 1.21 0.34 0.00 0.00 0.00 0.00 0.00 17.79 19.34 1ilf h ALA 59 CO 0.06 -0.39 -0.30 0.25 0.00 0.00 0.00 179.25 178.87 1ilf n THR 60 N -5.28 0.06 -3.31 0.00 -2.24 -1.25 -5.00 114.28 97.25 1ilf n THR 60 Ca 0.11 -0.06 -0.22 0.00 -2.27 0.00 0.00 64.05 61.60 1ilf n THR 60 Cb 0.41 0.66 0.06 0.00 -2.10 0.00 0.00 70.33 69.36 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 -0.04 -0.48 3.75 3.38 0.00 0.13 -4.98 105.19 106.95 1ilf n GLY 61 Ca 0.00 0.17 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.24 5.37 0.21 2.61 -1.32 -0.83 -4.81 115.64 113.62 1ilf s THR 62 Ca 0.45 0.34 -0.30 0.00 -1.21 0.00 0.00 61.69 60.97 1ilf s THR 62 Cb -0.20 -3.53 -0.08 0.00 -1.51 0.00 0.00 72.50 67.18 1ilf s THR 62 CO 0.56 0.45 0.95 0.21 -2.21 0.00 0.00 174.62 174.58 1ilf s ASN 63 N 0.20 7.59 -0.10 8.08 3.84 -1.26 -0.13 114.94 133.16 1ilf s ASN 63 Ca 0.12 1.92 -0.00 0.00 0.21 0.00 0.00 52.86 55.12 1ilf s ASN 63 Cb -0.12 -2.60 0.02 0.00 -0.55 0.00 0.00 41.25 38.00 1ilf s ASN 63 CO 0.01 0.08 -0.07 -0.76 -2.79 0.00 0.00 177.10 173.58 1ilf s LEU 64 N -0.87 1.18 -0.37 3.21 1.43 0.05 -4.93 118.68 118.38 1ilf s LEU 64 Ca 0.43 -0.27 -0.02 0.00 -1.03 0.00 0.00 54.13 53.24 1ilf s LEU 64 Cb -0.26 -0.77 0.09 0.00 0.03 0.00 0.00 46.19 45.28 1ilf s LEU 64 CO 0.32 -0.10 0.13 -0.44 0.23 0.00 0.00 176.35 176.48 1ilf s SER 65 N 1.56 5.10 0.14 2.29 0.01 -1.26 -1.03 113.70 120.51 1ilf s SER 65 Ca 0.02 -1.82 0.11 0.00 1.31 0.00 0.00 55.95 55.57 1ilf s SER 65 Cb -0.13 -1.77 -0.04 0.00 0.21 0.00 0.00 66.02 64.29 1ilf s SER 65 CO -0.06 -0.44 -0.24 -1.48 0.41 0.00 0.00 173.24 171.43 1ilf s LEU 66 N 1.15 2.43 -0.35 2.44 -0.00 -0.81 -5.01 118.68 118.52 1ilf s LEU 66 Ca 0.05 -0.74 -0.02 0.00 -0.00 0.00 0.00 54.13 53.41 1ilf s LEU 66 Cb -0.21 -1.27 0.08 0.00 -0.00 0.00 0.00 46.19 44.78 1ilf s LEU 66 CO -0.04 0.16 0.10 -1.10 -0.00 0.00 0.00 176.35 175.48 1ilf s GLN 67 N -2.24 2.18 -0.19 1.48 1.11 -1.26 -1.78 119.66 118.96 1ilf s GLN 67 Ca 0.16 -1.55 -0.08 0.00 0.01 0.00 0.00 55.36 53.91 1ilf s GLN 67 Cb -0.10 -3.37 -0.04 0.00 -1.01 0.00 0.00 33.01 28.49 1ilf s GLN 67 CO 0.08 -0.84 0.08 -0.59 0.01 0.00 0.00 175.29 174.02 1ilf s PHE 68 N 1.18 3.27 0.02 0.91 -0.12 0.18 -4.47 117.98 118.94 1ilf s PHE 68 Ca 0.02 0.09 -0.28 0.00 -0.05 0.00 0.00 56.93 56.71 1ilf s PHE 68 Cb -0.21 -2.11 0.07 0.00 -0.63 0.00 0.00 43.02 40.14 1ilf s PHE 68 CO -0.03 0.14 0.64 -0.06 -0.05 0.00 0.00 175.22 175.86 1ilf s PHE 69 N 0.46 -0.60 -0.21 3.49 0.08 -1.26 -4.16 117.98 115.78 1ilf s PHE 69 Ca 0.04 0.83 -0.30 0.00 0.12 0.00 0.00 56.93 57.63 1ilf s PHE 69 Cb -0.12 0.44 -0.07 0.00 -0.57 0.00 0.00 43.02 42.70 1ilf s PHE 69 CO 0.00 -0.67 2.19 -2.30 -0.10 0.00 0.00 175.22 174.33 1ilf n PRO 70 N 0.52 1.92 0.33 0.24 -0.02 -1.26 -4.81 135.00 131.91 1ilf n PRO 70 Ca -0.18 0.55 0.20 0.00 -2.02 0.00 0.00 63.50 62.05 1ilf n PRO 70 Cb 0.59 -3.08 1.05 0.00 -0.02 0.00 0.00 33.50 32.04 1ilf n PRO 70 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ilf h ALA 71 N 14.06 1.11 -0.69 3.55 0.00 -1.98 -0.44 119.26 134.87 1ilf h ALA 71 Ca -0.40 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.20 1ilf h ALA 71 Cb 1.25 0.00 -0.19 0.00 0.00 0.00 0.00 17.79 18.86 1ilf h ALA 71 CO 0.97 -0.11 0.40 0.43 0.00 0.00 0.00 179.25 180.94 1ilf n SER 72 N -2.96 3.77 -4.35 0.00 7.64 -1.26 -4.89 113.62 111.57 1ilf n SER 72 Ca -0.03 -3.11 -0.32 0.00 1.01 0.00 0.00 58.87 56.43 1ilf n SER 72 Cb 0.17 -0.73 -0.15 0.00 -1.01 0.00 0.00 64.21 62.49 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 -2.46 2.48 -0.96 1.43 0.52 -0.18 -5.04 118.94 114.74 1ilf s TRP 73 Ca 0.43 -0.42 -0.02 0.00 0.02 0.00 0.00 56.10 56.10 1ilf s TRP 73 Cb 0.35 -1.57 0.29 0.00 -1.15 0.00 0.00 33.47 31.39 1ilf s TRP 73 CO 0.09 -0.02 2.03 1.04 0.02 0.00 0.00 176.95 180.11 1ilf n GLN 74 N 2.55 4.22 -2.13 4.98 1.13 -1.26 -4.89 117.38 121.97 1ilf n GLN 74 Ca -0.17 -3.97 -0.02 0.00 -1.94 0.00 0.00 57.00 50.90 1ilf n GLN 74 Cb 0.52 -2.39 -0.02 0.00 0.11 0.00 0.00 30.24 28.45 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 0.04 -4.72 2.61 1.08 0.00 -1.26 -5.00 105.19 97.94 1ilf n GLY 75 Ca 0.51 0.66 -0.13 0.00 0.00 0.00 0.00 46.02 47.06 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 1.22 1.80 -0.31 1.61 1.02 -1.26 -4.91 120.64 119.80 1ilf n GLU 76 Ca -0.18 -3.59 0.21 0.00 -0.02 0.00 0.00 57.16 53.58 1ilf n GLU 76 Cb 0.28 -1.54 0.49 0.00 -0.02 0.00 0.00 31.44 30.65 1ilf n GLU 76 CO 0.00 0.00 0.00 -0.56 1.18 0.00 0.00 177.13 177.75 1ilf h GLN 77 N 2.84 0.43 -0.20 3.49 3.07 -1.99 0.56 115.11 123.31 1ilf h GLN 77 Ca 0.00 -0.03 0.02 0.00 0.09 0.00 0.00 58.65 58.74 1ilf h GLN 77 Cb 1.14 -0.10 -0.02 0.00 0.08 0.00 0.00 27.48 28.59 1ilf h GLN 77 CO 0.56 0.28 0.07 0.00 0.09 0.00 0.00 178.83 179.83 1ilf h ARG 78 N 0.44 0.16 -7.13 0.06 2.47 -2.01 -3.43 114.38 104.94 1ilf h ARG 78 Ca 0.57 -0.01 -0.50 0.00 -1.26 0.00 0.00 59.98 58.79 1ilf h ARG 78 Cb 1.38 -0.04 0.05 0.00 -1.65 0.00 0.00 29.97 29.71 1ilf h ARG 78 CO -0.29 0.11 0.24 -0.65 0.56 0.00 0.00 179.97 179.94 1ilf s GLN 79 N -6.18 3.43 0.31 0.04 -0.21 0.19 -5.06 119.66 112.17 1ilf s GLN 79 Ca -0.13 0.36 -0.21 0.00 0.02 0.00 0.00 55.36 55.40 1ilf s GLN 79 Cb 0.09 -2.24 -0.09 0.00 1.00 0.00 0.00 33.01 31.76 1ilf s GLN 79 CO 0.69 -0.45 0.85 0.99 -2.12 0.00 0.00 175.29 175.25 1ilf s THR 80 N -2.96 4.43 1.04 -0.19 2.01 -1.26 -4.89 115.64 113.81 1ilf s THR 80 Ca 0.51 1.46 -0.23 0.00 0.31 0.00 0.00 61.69 63.74 1ilf s THR 80 Cb -0.11 -3.82 -0.08 0.00 0.01 0.00 0.00 72.50 68.50 1ilf s THR 80 CO 0.48 0.02 -0.87 -0.81 -0.69 0.00 0.00 174.62 172.76 1ilf n PRO 81 N 0.24 -0.56 -3.68 4.92 -0.04 -1.26 -5.01 135.00 129.61 1ilf n PRO 81 Ca 0.02 -0.16 -0.21 0.00 -0.04 0.00 0.00 63.50 63.12 1ilf n PRO 81 Cb 0.52 -1.28 -0.03 0.00 -0.04 0.00 0.00 33.50 32.67 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 -1.33 5.38 -0.00 3.54 0.15 -1.26 -5.00 113.70 115.17 1ilf s SER 82 Ca 0.44 -0.48 0.05 0.00 0.70 0.00 0.00 55.95 56.66 1ilf s SER 82 Cb -0.01 -0.94 0.15 0.00 -1.71 0.00 0.00 66.02 63.52 1ilf s SER 82 CO 0.68 -0.43 1.11 0.54 1.20 0.00 0.00 173.24 176.33 1ilf n ARG 83 N -1.47 1.43 0.01 5.44 5.12 -1.18 -2.08 116.66 123.93 1ilf n ARG 83 Ca -0.00 -0.63 -0.19 0.00 -1.93 0.00 0.00 57.85 55.10 1ilf n ARG 83 Cb 0.60 -1.17 -0.09 0.00 -1.16 0.00 0.00 32.46 30.64 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 1.00 0.72 0.00 5.56 5.08 -1.99 -3.38 114.58 121.58 1ilf h GLU 84 Ca 0.00 -0.67 -0.16 0.00 -1.00 0.00 0.00 59.36 57.53 1ilf h GLU 84 Cb 0.27 0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.66 1ilf h GLU 84 CO 0.01 1.27 -1.56 0.66 -1.00 0.00 0.00 179.01 178.38 1ilf n TYR 85 N -3.94 0.00 -4.04 4.33 4.02 -1.24 -4.87 117.16 111.41 1ilf n TYR 85 Ca -0.09 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.48 1ilf n TYR 85 Cb 0.79 -0.37 -0.15 0.00 -0.02 0.00 0.00 39.34 39.59 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 -2.19 2.11 -0.07 -0.72 -7.23 -0.88 0.41 120.40 111.83 1ilf s VAL 86 Ca -0.14 -1.71 -0.03 0.00 -1.81 0.00 0.00 61.98 58.30 1ilf s VAL 86 Cb 0.04 -2.29 -0.04 0.00 0.56 0.00 0.00 36.38 34.66 1ilf s VAL 86 CO 0.20 -0.14 0.06 -0.62 -0.31 0.00 0.00 175.10 174.30 1ilf s ASP 87 N 1.10 5.66 -0.09 4.85 -1.08 -1.13 -3.09 116.67 122.89 1ilf s ASP 87 Ca -0.05 0.22 0.01 0.00 -0.52 0.00 0.00 52.55 52.21 1ilf s ASP 87 Cb -0.20 -1.67 -0.06 0.00 -1.46 0.00 0.00 42.92 39.53 1ilf s ASP 87 CO -0.06 0.35 -0.08 0.18 0.52 0.00 0.00 175.17 176.09 1ilf n LEU 88 N 1.77 2.83 -4.40 -1.34 4.32 -1.26 -4.07 117.00 114.86 1ilf n LEU 88 Ca -0.17 -0.05 -0.37 0.00 -0.02 0.00 0.00 56.01 55.40 1ilf n LEU 88 Cb 0.54 -0.30 -0.13 0.00 -1.62 0.00 0.00 43.42 41.91 1ilf n LEU 88 CO 0.32 0.63 -0.28 -0.70 -1.22 0.00 0.00 177.39 176.14 1ilf s GLU 89 N -2.18 3.43 0.00 3.23 2.56 -1.26 -4.88 118.70 119.60 1ilf s GLU 89 Ca -0.12 -0.63 0.00 0.00 0.00 0.00 0.00 54.97 54.22 1ilf s GLU 89 Cb 0.03 -3.33 0.00 0.00 2.00 0.00 0.00 34.13 32.83 1ilf s GLU 89 CO 0.22 -0.29 0.00 2.89 -0.56 0.00 0.00 175.26 177.52 1ilf n ARG 90 N 4.90 0.00 -2.37 4.30 -4.01 -1.26 -5.01 116.66 113.21 1ilf n ARG 90 Ca -0.16 0.00 -0.43 0.00 -1.04 0.00 0.00 57.85 56.23 1ilf n ARG 90 Cb 0.50 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 29.93 1ilf n ARG 90 CO 0.00 0.00 0.00 0.39 -3.04 0.00 0.00 177.63 174.98 1ilf n GLU 91 N 0.00 3.64 -0.61 2.89 1.02 -1.26 -4.99 120.64 121.33 1ilf n GLU 91 Ca 0.00 -3.56 -0.19 0.00 -0.02 0.00 0.00 57.16 53.38 1ilf n GLU 91 Cb 0.00 -2.92 0.01 0.00 -0.02 0.00 0.00 31.44 28.51 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 3.84 -2.43 0.00 0.62 0.00 -1.26 -4.22 120.51 117.06 1ilf n ALA 92 Ca 0.39 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.78 1ilf n ALA 92 Cb 0.36 -0.69 0.00 0.00 0.00 0.00 0.00 19.45 19.12 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 1.29 3.72 3.54 0.00 0.00 -1.26 -5.07 105.19 107.40 1ilf n GLY 93 Ca 0.04 -0.89 -0.11 0.00 0.00 0.00 0.00 46.02 45.05 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 1.66 -0.09 1.61 3.01 -1.26 -4.29 119.74 120.38 1ilf s LYS 94 Ca 0.00 -1.45 0.04 0.00 -1.01 0.00 0.00 55.97 53.56 1ilf s LYS 94 Cb 0.00 0.45 -0.01 0.00 -1.01 0.00 0.00 37.83 37.27 1ilf s LYS 94 CO 0.00 -0.69 -0.23 0.54 0.51 0.00 0.00 175.35 175.49 1ilf s VAL 95 N -3.66 2.23 0.13 3.17 0.11 -0.90 -4.91 120.40 116.57 1ilf s VAL 95 Ca 0.26 -0.98 0.09 0.00 -2.93 0.00 0.00 61.98 58.43 1ilf s VAL 95 Cb -0.00 -1.85 -0.04 0.00 -1.53 0.00 0.00 36.38 32.96 1ilf s VAL 95 CO 0.13 0.56 -0.19 -0.72 -3.33 0.00 0.00 175.10 171.55 1ilf s TYR 96 N 0.13 2.49 0.21 1.54 -0.85 -1.26 -0.85 117.35 118.77 1ilf s TYR 96 Ca -0.12 -0.28 0.02 0.00 -0.52 0.00 0.00 57.07 56.17 1ilf s TYR 96 Cb -0.16 -1.31 -0.05 0.00 0.38 0.00 0.00 41.96 40.82 1ilf s TYR 96 CO 0.06 0.40 0.03 -0.51 -1.52 0.00 0.00 175.55 174.01 1ilf s LEU 97 N -2.25 1.99 -0.12 -3.49 1.02 -0.63 -2.84 118.68 112.36 1ilf s LEU 97 Ca 0.18 -1.25 -0.05 0.00 0.02 0.00 0.00 54.13 53.03 1ilf s LEU 97 Cb -0.10 -0.09 0.06 0.00 0.02 0.00 0.00 46.19 46.08 1ilf s LEU 97 CO 0.10 -0.60 0.27 -0.75 0.02 0.00 0.00 176.35 175.38 1ilf s LYS 98 N -3.94 0.19 0.06 1.70 2.20 0.17 -1.78 119.74 118.33 1ilf s LYS 98 Ca 0.29 0.66 0.04 0.00 -0.36 0.00 0.00 55.97 56.60 1ilf s LYS 98 Cb 0.06 -0.06 -0.03 0.00 -1.51 0.00 0.00 37.83 36.29 1ilf s LYS 98 CO 0.08 -0.23 -0.11 0.00 -0.36 0.00 0.00 175.35 174.73 1ilf s ALA 99 N 1.88 0.87 -0.20 3.13 0.00 0.13 -4.26 121.76 123.32 1ilf s ALA 99 Ca -0.04 -0.89 -0.18 0.00 0.00 0.00 0.00 51.96 50.85 1ilf s ALA 99 Cb -0.11 -0.02 -0.03 0.00 0.00 0.00 0.00 23.12 22.95 1ilf s ALA 99 CO -0.09 0.07 0.52 -1.25 0.00 0.00 0.00 175.76 175.01 1ilf s PRO 100 N -1.68 4.19 0.32 0.00 0.04 -1.26 -1.24 135.00 135.37 1ilf s PRO 100 Ca -0.06 0.42 0.03 0.00 0.04 0.00 0.00 61.00 61.43 1ilf s PRO 100 Cb -0.10 -3.56 -0.05 0.00 0.04 0.00 0.00 34.50 30.83 1ilf s PRO 100 CO 0.01 -0.15 0.10 -1.64 0.04 0.00 0.00 177.00 175.36 1ilf s MET 101 N 1.62 1.63 -0.33 4.56 -1.94 0.36 -4.91 119.30 120.28 1ilf s MET 101 Ca 0.24 -1.92 -0.00 0.00 -1.71 0.00 0.00 55.69 52.30 1ilf s MET 101 Cb -0.15 -0.53 0.07 0.00 2.01 0.00 0.00 34.83 36.23 1ilf s MET 101 CO 0.10 -0.31 0.04 0.42 -0.01 0.00 0.00 175.02 175.26 1ilf s ILE 102 N -3.46 2.83 0.09 2.53 -1.09 -1.26 -1.05 121.20 119.79 1ilf s ILE 102 Ca 0.34 -1.75 0.04 0.00 -2.23 0.00 0.00 60.65 57.05 1ilf s ILE 102 Cb 0.07 -2.79 -0.04 0.00 -1.58 0.00 0.00 42.46 38.12 1ilf s ILE 102 CO 0.15 -0.33 0.03 -0.76 -1.23 0.00 0.00 174.94 172.80 1ilf s LEU 103 N 1.14 3.57 0.00 2.97 1.43 -0.42 -4.88 118.68 122.50 1ilf s LEU 103 Ca 0.00 -0.14 0.00 0.00 -1.03 0.00 0.00 54.13 52.97 1ilf s LEU 103 Cb -0.20 -2.28 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 0.00 176.35 173.51 1ilf n ASN 104 N 0.46 0.00 -4.19 2.29 5.15 -1.26 0.12 115.26 117.83 1ilf n ASN 104 Ca -0.10 0.00 -0.30 0.00 -0.60 0.00 0.00 54.58 53.59 1ilf n ASN 104 Cb 0.52 0.00 -0.09 0.00 -0.53 0.00 0.00 39.78 39.68 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 0.04 -0.14 3.56 8.20 0.00 -1.26 -4.89 105.19 110.71 1ilf n GLY 105 Ca 0.00 0.17 -0.15 0.00 0.00 0.00 0.00 46.02 46.05 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 -4.27 0.00 -0.35 1.61 1.01 0.32 -1.97 120.40 116.75 1ilf s VAL 106 Ca 0.02 0.00 -0.26 0.00 0.00 0.00 0.00 61.98 61.74 1ilf s VAL 106 Cb -0.01 -1.00 0.01 0.00 0.00 0.00 0.00 36.38 35.38 1ilf s VAL 106 CO 0.93 0.00 0.91 0.00 0.00 0.00 0.00 175.10 176.94 1ilf s VAL 108 N 3.36 1.92 -0.14 0.00 -7.23 -0.21 -0.92 120.40 117.18 1ilf s VAL 108 Ca 0.38 -1.97 -0.04 0.00 -1.81 0.00 0.00 61.98 58.53 1ilf s VAL 108 Cb -0.13 -2.89 0.07 0.00 0.56 0.00 0.00 36.38 33.99 1ilf s VAL 108 CO 0.17 0.00 0.25 -0.63 -0.31 0.00 0.00 175.10 174.57 1ilf s ILE 109 N -2.72 -0.39 -0.06 -0.62 1.01 0.19 -0.49 121.20 118.13 1ilf s ILE 109 Ca 0.32 0.21 -0.17 0.00 0.00 0.00 0.00 60.65 61.01 1ilf s ILE 109 Cb 0.08 -0.48 -0.05 0.00 0.01 0.00 0.00 42.46 42.02 1ilf s ILE 109 CO 0.17 0.06 0.47 0.86 0.00 0.00 0.00 174.94 176.49 1ilf s TRP 110 N 2.39 3.62 -0.14 3.97 -0.00 -0.37 -0.54 118.94 127.86 1ilf s TRP 110 Ca 0.03 0.97 -0.11 0.00 -0.00 0.00 0.00 56.10 56.98 1ilf s TRP 110 Cb -0.13 -2.46 0.04 0.00 -0.00 0.00 0.00 33.47 30.92 1ilf s TRP 110 CO -0.09 0.37 0.36 0.21 -0.00 0.00 0.00 176.95 177.80 1ilf s LYS 111 N -0.13 0.40 -0.17 5.86 2.36 -0.50 -0.69 119.74 126.88 1ilf s LYS 111 Ca 0.26 0.56 -0.34 0.00 -2.55 0.00 0.00 55.97 53.89 1ilf s LYS 111 Cb -0.16 0.14 0.13 0.00 -1.05 0.00 0.00 37.83 36.90 1ilf s LYS 111 CO 0.12 -0.08 1.19 0.20 1.55 0.00 0.00 175.35 178.33 1ilf s GLY 112 N 0.48 -0.31 0.13 5.54 0.00 -0.73 0.27 107.32 112.69 1ilf s GLY 112 Ca -0.02 1.51 0.07 0.00 0.00 0.00 0.00 44.72 46.28 1ilf s GLY 112 CO -0.02 0.50 -0.05 0.66 0.00 0.00 0.00 173.10 174.18 1ilf s TRP 113 N -2.47 2.81 0.06 1.90 1.48 -0.22 -1.61 118.94 120.89 1ilf s TRP 113 Ca 0.09 -0.13 0.08 0.00 -1.06 0.00 0.00 56.10 55.08 1ilf s TRP 113 Cb -0.01 -1.43 -0.03 0.00 -1.16 0.00 0.00 33.47 30.85 1ilf s TRP 113 CO -0.05 0.47 -0.22 0.42 -4.06 0.00 0.00 176.95 173.52 1ilf s ILE 114 N -1.41 1.74 0.07 0.66 -1.09 -0.03 -1.51 121.20 119.63 1ilf s ILE 114 Ca 0.24 -1.29 -0.24 0.00 -2.23 0.00 0.00 60.65 57.13 1ilf s ILE 114 Cb -0.11 -1.53 -0.06 0.00 -1.58 0.00 0.00 42.46 39.19 1ilf s ILE 114 CO 0.16 0.18 0.72 1.51 -1.23 0.00 0.00 174.94 176.28 1ilf s ASP 115 N -1.33 7.20 0.00 3.58 -4.77 -0.68 -2.11 116.67 118.55 1ilf s ASP 115 Ca 0.08 1.42 0.00 0.00 -3.30 0.00 0.00 52.55 50.75 1ilf s ASP 115 Cb -0.09 -2.45 0.00 0.00 -1.09 0.00 0.00 42.92 39.29 1ilf s ASP 115 CO 0.02 0.10 0.61 0.18 0.70 0.00 0.00 175.17 176.78 1ilf n LEU 116 N 2.42 0.37 -0.00 2.11 4.77 -1.26 -1.08 117.00 124.33 1ilf n LEU 116 Ca -0.05 -0.19 -0.01 0.00 -0.03 0.00 0.00 56.01 55.74 1ilf n LEU 116 Cb 0.50 -0.19 -0.00 0.00 -2.33 0.00 0.00 43.42 41.40 1ilf n LEU 116 CO 0.46 0.09 -0.09 1.57 -1.33 0.00 0.00 177.39 178.09 1ilf n HIS 117 N -0.22 0.00 0.65 -1.77 -0.00 -1.26 -4.78 115.22 107.84 1ilf n HIS 117 Ca 0.00 0.00 0.12 0.00 0.46 0.00 0.00 57.72 58.30 1ilf n HIS 117 Cb 0.09 -0.07 0.15 0.00 -0.12 0.00 0.00 29.99 30.04 1ilf n HIS 117 CO 0.00 0.00 0.00 2.89 0.46 0.00 0.00 176.34 179.69 1ilf n ARG 118 N -2.93 0.23 -1.96 1.57 1.85 -1.26 -4.95 116.66 109.22 1ilf n ARG 118 Ca -0.02 0.05 -0.03 0.00 -1.00 0.00 0.00 57.85 56.85 1ilf n ARG 118 Cb 0.07 -1.63 -0.00 0.00 -1.05 0.00 0.00 32.46 29.85 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 -1.95 -1.05 -4.12 2.89 4.77 -0.24 -4.85 117.00 112.45 1ilf n LEU 119 Ca 0.03 0.01 -0.20 0.00 -0.03 0.00 0.00 56.01 55.82 1ilf n LEU 119 Cb 0.42 -0.87 -0.14 0.00 -2.33 0.00 0.00 43.42 40.50 1ilf n LEU 119 CO 0.37 -0.05 -0.46 -1.81 -1.33 0.00 0.00 177.39 174.12 1ilf s ASP 120 N -2.87 1.54 0.00 -1.43 1.01 -1.24 -0.68 116.67 113.00 1ilf s ASP 120 Ca 0.00 -0.40 0.00 0.00 0.71 0.00 0.00 52.55 52.86 1ilf s ASP 120 Cb 0.00 -0.11 0.00 0.00 1.01 0.00 0.00 42.92 43.82 1ilf s ASP 120 CO 0.00 0.04 0.00 0.61 0.21 0.00 0.00 175.17 176.03 1ilf n GLY 121 N 2.09 3.53 2.86 0.21 0.00 -0.52 -1.68 105.19 111.67 1ilf n GLY 121 Ca -0.17 -0.13 -0.18 0.00 0.00 0.00 0.00 46.02 45.54 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 4.29 0.49 0.24 1.61 -1.94 -0.57 -1.62 119.30 121.80 1ilf s MET 122 Ca 0.00 -0.01 0.11 0.00 -1.71 0.00 0.00 55.69 54.07 1ilf s MET 122 Cb 0.00 -0.59 -0.05 0.00 2.01 0.00 0.00 34.83 36.21 1ilf s MET 122 CO 0.00 -0.09 -0.19 0.20 -0.01 0.00 0.00 175.02 174.93 1ilf s GLY 123 N 0.85 1.74 -0.10 -0.03 0.00 -0.26 -1.05 107.32 108.47 1ilf s GLY 123 Ca -0.10 -1.77 -0.20 0.00 0.00 0.00 0.00 44.72 42.66 1ilf s GLY 123 CO -0.01 -1.85 0.47 0.00 0.00 0.00 0.00 173.10 171.71 1ilf s LEU 125 N -0.62 4.13 0.08 0.00 1.43 -0.80 -1.41 118.68 121.48 1ilf s LEU 125 Ca -0.07 0.04 -0.13 0.00 -1.03 0.00 0.00 54.13 52.93 1ilf s LEU 125 Cb -0.03 -2.89 0.02 0.00 0.03 0.00 0.00 46.19 43.31 1ilf s LEU 125 CO 0.04 -0.26 0.31 -1.61 0.23 0.00 0.00 176.35 175.06 1ilf s GLU 126 N -4.12 0.89 0.01 1.70 2.02 0.29 -4.21 118.70 115.28 1ilf s GLU 126 Ca 0.39 -0.66 0.01 0.00 0.02 0.00 0.00 54.97 54.73 1ilf s GLU 126 Cb -0.09 0.38 -0.04 0.00 0.10 0.00 0.00 34.13 34.48 1ilf s GLU 126 CO 0.31 -0.31 0.05 0.12 0.02 0.00 0.00 175.26 175.45 1ilf s PHE 127 N -3.20 3.18 -0.47 1.61 2.19 -1.26 0.56 117.98 120.59 1ilf s PHE 127 Ca -0.00 0.13 -0.22 0.00 0.33 0.00 0.00 56.93 57.17 1ilf s PHE 127 Cb 0.01 -1.69 0.03 0.00 -1.31 0.00 0.00 43.02 40.07 1ilf s PHE 127 CO -0.07 0.51 0.76 0.34 1.83 0.00 0.00 175.22 178.58 1ilf s ASP 128 N -1.80 6.36 -0.00 6.13 -1.08 -0.09 -4.87 116.67 121.31 1ilf s ASP 128 Ca 0.23 -0.30 0.14 0.00 -0.52 0.00 0.00 52.55 52.10 1ilf s ASP 128 Cb -0.12 -2.37 -0.19 0.00 -1.46 0.00 0.00 42.92 38.78 1ilf s ASP 128 CO 0.14 -0.93 0.72 -0.62 0.52 0.00 0.00 175.17 175.00 1ilf n GLU 129 N 6.66 0.63 -0.04 4.34 1.02 -1.26 -2.52 120.64 129.46 1ilf n GLU 129 Ca 0.00 0.26 -0.14 0.00 -0.02 0.00 0.00 57.16 57.27 1ilf n GLU 129 Cb 0.48 -1.80 -0.11 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 0.02 -0.06 3.49 5.08 -2.00 -3.32 114.58 117.80 1ilf h GLU 130 Ca -0.24 -0.02 -0.19 0.00 -1.00 0.00 0.00 59.36 57.92 1ilf h GLU 130 Cb 1.84 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 31.09 1ilf h GLU 130 CO 0.06 0.77 -0.76 -0.09 -1.00 0.00 0.00 179.01 177.99 1ilf h ARG 131 N -0.71 0.35 -1.08 2.33 9.65 -1.99 -3.23 114.38 119.70 1ilf h ARG 131 Ca -0.00 -0.30 0.33 0.00 -1.10 0.00 0.00 59.98 58.90 1ilf h ARG 131 Cb 0.78 0.07 -0.13 0.00 -1.39 0.00 0.00 29.97 29.30 1ilf h ARG 131 CO 0.01 0.96 0.66 0.00 2.80 0.00 0.00 179.97 184.39 1ilf h ALA 132 N 0.95 2.19 -0.30 2.80 0.00 -1.59 0.16 119.26 123.47 1ilf h ALA 132 Ca -0.03 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1ilf h ALA 132 Cb 1.34 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 19.24 1ilf h ALA 132 CO 0.13 -0.74 0.20 1.96 0.00 0.00 0.00 179.25 180.79 1ilf h GLN 133 N 0.31 0.40 -0.61 0.00 4.20 -1.65 -2.47 115.11 115.28 1ilf h GLN 133 Ca 0.71 -0.02 -0.06 0.00 0.06 0.00 0.00 58.65 59.34 1ilf h GLN 133 Cb 1.80 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 29.47 1ilf h GLN 133 CO -0.47 0.26 0.13 1.96 -0.67 0.00 0.00 178.83 180.04 1ilf h GLN 134 N 0.41 0.99 -0.94 1.46 1.08 -0.89 -1.29 115.11 115.92 1ilf h GLN 134 Ca 0.11 -0.25 0.20 0.00 -1.45 0.00 0.00 58.65 57.26 1ilf h GLN 134 Cb -0.05 -0.13 -0.08 0.00 -0.05 0.00 0.00 27.48 27.18 1ilf h GLN 134 CO -0.03 0.91 0.61 0.93 -0.95 0.00 0.00 178.83 180.30 1ilf h GLU 135 N 0.90 0.53 -0.14 1.46 4.39 -1.06 0.81 114.58 121.47 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 0.37 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 28.90 1ilf h GLU 135 CO 0.00 0.35 -0.68 -0.44 -1.16 0.00 0.00 179.01 177.08 1ilf h ASP 136 N 0.55 0.66 -0.06 1.42 5.19 -0.92 0.21 116.42 123.46 1ilf h ASP 136 Ca 0.50 -0.40 -0.01 0.00 -0.62 0.00 0.00 57.03 56.50 1ilf h ASP 136 Cb 1.06 -0.19 -0.00 0.00 0.18 0.00 0.00 39.33 40.37 1ilf h ASP 136 CO -0.24 1.15 -0.01 0.00 -3.12 0.00 0.00 179.24 177.02 1ilf h ALA 137 N 0.84 0.09 -0.27 3.45 0.00 0.14 0.30 119.26 123.81 1ilf h ALA 137 Ca -0.02 -0.20 -0.19 0.00 0.00 0.00 0.00 54.91 54.50 1ilf h ALA 137 Cb 1.26 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1ilf h ALA 137 CO 0.13 -0.21 -0.58 -0.07 0.00 0.00 0.00 179.25 178.52 1ilf h LEU 138 N -0.21 0.98 -1.14 0.00 3.38 0.22 -2.91 115.31 115.63 1ilf h LEU 138 Ca 0.02 -0.55 -0.03 0.00 0.09 0.00 0.00 57.88 57.41 1ilf h LEU 138 Cb 0.40 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 1ilf h LEU 138 CO 0.01 1.35 -0.16 0.00 0.09 0.00 0.00 178.44 179.72 1ilf h ALA 139 N 0.66 1.01 -3.27 1.53 0.00 -0.60 -3.39 119.26 115.20 1ilf h ALA 139 Ca 0.00 -0.15 -0.58 0.00 0.00 0.00 0.00 54.91 54.19 1ilf h ALA 139 Cb 1.19 -0.03 -0.40 0.00 0.00 0.00 0.00 17.79 18.56 1ilf h ALA 139 CO 0.13 0.20 -0.76 -0.65 0.00 0.00 0.00 179.25 178.17 1ilf s GLN 140 N -3.63 0.87 0.00 0.00 -1.52 0.11 -5.03 119.66 110.45 1ilf s GLN 140 Ca 0.01 -1.00 0.24 0.00 -1.95 0.00 0.00 55.36 52.66 1ilf s GLN 140 Cb 0.10 -2.17 0.28 0.00 -0.22 0.00 0.00 33.01 31.00 1ilf s GLN 140 CO 0.62 -0.87 1.31 1.04 -0.25 0.00 0.00 175.29 177.14