#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 0.88 -0.01 0.03 0.04 -1.26 -4.99 135.00 129.69 1ilf s PRO 2 Ca 0.00 0.95 0.09 0.00 0.04 0.00 0.00 61.00 62.08 1ilf s PRO 2 Cb 0.00 -1.75 -0.12 0.00 0.04 0.00 0.00 34.50 32.67 1ilf s PRO 2 CO 0.00 -2.54 0.30 2.89 0.04 0.00 0.00 177.00 177.69 1ilf n ARG 3 N -4.11 2.26 -2.77 4.56 -4.01 -1.26 -4.97 116.66 106.37 1ilf n ARG 3 Ca 0.07 -0.04 -0.42 0.00 -1.04 0.00 0.00 57.85 56.42 1ilf n ARG 3 Cb 0.54 -1.06 -0.03 0.00 -3.04 0.00 0.00 32.46 28.87 1ilf n ARG 3 CO 0.00 0.00 0.00 0.14 -3.04 0.00 0.00 177.63 174.73 1ilf s VAL 4 N -2.22 4.78 0.37 8.89 -7.23 -1.26 -3.99 120.40 119.73 1ilf s VAL 4 Ca 0.00 1.84 -0.16 0.00 -1.81 0.00 0.00 61.98 61.85 1ilf s VAL 4 Cb 0.06 -4.23 -0.09 0.00 0.56 0.00 0.00 36.38 32.68 1ilf s VAL 4 CO 0.37 -0.08 0.81 0.68 -0.31 0.00 0.00 175.10 176.58 1ilf s VAL 5 N 2.69 4.61 0.18 1.32 -7.23 -1.17 -4.95 120.40 115.85 1ilf s VAL 5 Ca 0.41 1.07 0.00 0.00 -1.81 0.00 0.00 61.98 61.65 1ilf s VAL 5 Cb -0.16 -3.63 0.26 0.00 0.56 0.00 0.00 36.38 33.41 1ilf s VAL 5 CO 0.10 -0.29 0.94 -2.65 -0.31 0.00 0.00 175.10 172.89 1ilf n PRO 6 N -0.62 -0.05 -3.70 4.82 -0.01 -1.26 -2.37 135.00 131.82 1ilf n PRO 6 Ca 0.04 0.91 -0.29 0.00 -0.01 0.00 0.00 63.50 64.15 1ilf n PRO 6 Cb 0.53 -1.43 -0.13 0.00 -0.01 0.00 0.00 33.50 32.47 1ilf n PRO 6 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 175.50 174.98 1ilf s ASP 7 N -5.03 3.56 0.19 2.55 1.01 -1.26 -4.96 116.67 112.73 1ilf s ASP 7 Ca -0.08 -2.83 -0.12 0.00 0.71 0.00 0.00 52.55 50.23 1ilf s ASP 7 Cb 0.18 -1.05 0.11 0.00 1.01 0.00 0.00 42.92 43.16 1ilf s ASP 7 CO 0.47 -0.23 1.85 1.56 0.21 0.00 0.00 175.17 179.03 1ilf h GLN 8 N 6.44 0.79 0.00 8.23 4.20 -1.77 0.56 115.11 133.57 1ilf h GLN 8 Ca 0.04 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.67 1ilf h GLN 8 Cb 0.90 -0.18 -0.00 0.00 0.30 0.00 0.00 27.48 28.50 1ilf h GLN 8 CO 0.50 0.53 -0.14 0.00 -0.67 0.00 0.00 178.83 179.04 1ilf h ARG 9 N 0.82 0.00 -0.59 1.46 -0.00 -1.93 -1.64 114.38 112.50 1ilf h ARG 9 Ca 0.23 0.00 -0.04 0.00 -0.50 0.00 0.00 59.98 59.67 1ilf h ARG 9 Cb -0.07 0.00 -0.03 0.00 0.00 0.00 0.00 29.97 29.87 1ilf h ARG 9 CO -0.06 0.14 0.22 1.03 0.00 0.00 0.00 179.97 181.30 1ilf h SER 10 N 0.00 0.80 0.16 7.04 0.87 -1.29 0.57 113.55 121.71 1ilf h SER 10 Ca -0.00 -0.11 -0.30 0.00 -1.23 0.00 0.00 61.79 60.14 1ilf h SER 10 Cb 0.44 -0.21 0.01 0.00 -0.44 0.00 0.00 62.40 62.21 1ilf h SER 10 CO 0.02 0.73 -1.49 0.11 -0.53 0.00 0.00 176.83 175.67 1ilf h LYS 11 N 0.86 0.35 0.00 2.24 6.56 -1.23 0.22 116.57 125.56 1ilf h LYS 11 Ca 0.20 -0.59 -0.01 0.00 -1.06 0.00 0.00 60.65 59.19 1ilf h LYS 11 Cb 0.20 0.22 -0.00 0.00 -0.57 0.00 0.00 32.23 32.08 1ilf h LYS 11 CO -0.01 1.28 -0.03 0.35 -2.06 0.00 0.00 179.45 178.98 1ilf h PHE 12 N -0.10 0.00 0.00 -1.35 3.04 -1.21 0.51 116.94 117.83 1ilf h PHE 12 Ca -0.30 0.00 -0.37 0.00 3.98 0.00 0.00 57.97 61.29 1ilf h PHE 12 Cb 1.93 0.00 -0.07 0.00 2.56 0.00 0.00 35.95 40.37 1ilf h PHE 12 CO 0.13 0.03 -2.38 0.39 -2.02 0.00 0.00 178.31 174.45 1ilf n GLU 13 N -3.17 0.70 -0.10 1.11 -0.58 0.20 -4.37 120.64 114.43 1ilf n GLU 13 Ca -0.01 -0.01 -0.09 0.00 -0.42 0.00 0.00 57.16 56.63 1ilf n GLU 13 Cb 0.24 -1.52 -0.16 0.00 -0.57 0.00 0.00 31.44 29.43 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 -2.74 0.01 -4.75 1.62 5.15 0.77 -4.90 115.26 110.40 1ilf n ASN 14 Ca -0.33 0.00 -0.41 0.00 -0.60 0.00 0.00 54.58 53.24 1ilf n ASN 14 Cb 1.15 1.04 -0.02 0.00 -0.53 0.00 0.00 39.78 41.42 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 -2.54 4.21 0.00 1.20 2.02 0.18 -4.90 118.70 118.87 1ilf s GLU 15 Ca -0.10 2.41 0.00 0.00 0.02 0.00 0.00 54.97 57.30 1ilf s GLU 15 Cb 0.06 -3.06 0.00 0.00 0.10 0.00 0.00 34.13 31.23 1ilf s GLU 15 CO 0.83 -0.47 0.65 -0.85 0.02 0.00 0.00 175.26 175.44 1ilf n GLU 16 N 1.91 0.00 -0.33 1.61 0.28 -1.26 0.54 120.64 123.39 1ilf n GLU 16 Ca 0.06 0.27 0.11 0.00 -0.16 0.00 0.00 57.16 57.44 1ilf n GLU 16 Cb 0.39 -1.19 0.29 0.00 1.43 0.00 0.00 31.44 32.36 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 0.96 0.00 -1.84 3.04 -1.98 1.26 116.94 118.38 1ilf h PHE 17 Ca 0.00 0.03 -0.03 0.00 3.98 0.00 0.00 57.97 61.96 1ilf h PHE 17 Cb 0.00 -0.28 -0.00 0.00 2.56 0.00 0.00 35.95 38.23 1ilf h PHE 17 CO 0.11 0.21 -0.13 0.35 -2.02 0.00 0.00 178.31 176.82 1ilf h PHE 18 N 0.71 0.00 0.00 0.41 3.04 -1.89 0.21 116.94 119.42 1ilf h PHE 18 Ca 0.54 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.49 1ilf h PHE 18 Cb 0.82 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.33 1ilf h PHE 18 CO -0.04 0.13 -0.10 0.00 -2.02 0.00 0.00 178.31 176.28 1ilf h ARG 19 N 0.00 0.00 -1.01 1.11 3.08 0.67 0.49 114.38 118.71 1ilf h ARG 19 Ca -0.00 0.00 0.29 0.00 0.07 0.00 0.00 59.98 60.34 1ilf h ARG 19 Cb 0.27 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.28 1ilf h ARG 19 CO 0.02 0.00 0.77 1.57 -1.07 0.00 0.00 179.97 181.26 1ilf h LYS 20 N -0.68 0.00 0.09 0.04 2.10 -0.00 0.86 116.57 118.97 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 0.10 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.41 1ilf h LYS 20 CO 0.00 0.00 -1.82 -0.07 -2.00 0.00 0.00 179.45 175.56 1ilf h LEU 21 N 0.00 0.29 -1.18 7.07 3.38 -0.69 -3.30 115.31 120.88 1ilf h LEU 21 Ca 0.48 -0.60 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1ilf h LEU 21 Cb 2.02 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.67 1ilf h LEU 21 CO -0.01 1.53 0.19 -1.28 0.09 0.00 0.00 178.44 178.96 1ilf h SER 22 N 0.05 0.00 -3.06 -0.43 0.87 0.58 -2.09 113.55 109.47 1ilf h SER 22 Ca -0.35 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.21 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 -2.19 1.70 -4.45 2.24 5.12 -0.45 -3.68 116.66 114.94 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 0.21 0.00 -0.14 0.00 -1.16 0.00 0.00 32.46 31.37 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 -0.14 3.41 0.10 5.56 -1.05 -1.26 -2.03 118.70 123.30 1ilf s GLU 24 Ca 0.00 -0.65 -0.12 0.00 -0.15 0.00 0.00 54.97 54.05 1ilf s GLU 24 Cb 0.00 -2.78 0.02 0.00 -0.44 0.00 0.00 34.13 30.93 1ilf s GLU 24 CO 0.00 0.09 0.29 0.00 0.95 0.00 0.00 175.26 176.59 1ilf n GLU 26 N -0.11 0.37 -4.16 0.00 1.02 -1.26 -2.00 120.64 114.50 1ilf n GLU 26 Ca -0.16 0.13 -0.10 0.00 -0.02 0.00 0.00 57.16 57.01 1ilf n GLU 26 Cb 0.63 -1.26 -0.10 0.00 -0.02 0.00 0.00 31.44 30.69 1ilf n GLU 26 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 1ilf s ILE 27 N -1.19 0.27 0.22 -3.67 -4.36 0.47 -1.58 121.20 111.36 1ilf s ILE 27 Ca 0.62 -1.92 -0.19 0.00 -0.26 0.00 0.00 60.65 58.90 1ilf s ILE 27 Cb -0.78 -1.99 0.03 0.00 1.25 0.00 0.00 42.46 40.97 1ilf s ILE 27 CO 0.58 -0.55 0.60 -1.59 0.24 0.00 0.00 174.94 174.23 1ilf s LYS 28 N -3.99 1.51 0.15 0.37 -2.85 -0.89 -0.93 119.74 113.10 1ilf s LYS 28 Ca 0.22 -0.85 -0.28 0.00 -1.00 0.00 0.00 55.97 54.05 1ilf s LYS 28 Cb 0.07 0.56 -0.07 0.00 -2.06 0.00 0.00 37.83 36.33 1ilf s LYS 28 CO 0.01 -0.66 0.88 -0.47 0.10 0.00 0.00 175.35 175.20 1ilf s TYR 29 N -3.87 3.88 -0.35 1.78 5.04 -0.91 0.43 117.35 123.35 1ilf s TYR 29 Ca 0.09 1.74 0.13 0.00 -2.44 0.00 0.00 57.07 56.59 1ilf s TYR 29 Cb -0.03 -2.92 0.41 0.00 0.35 0.00 0.00 41.96 39.77 1ilf s TYR 29 CO -0.01 0.38 1.47 0.25 -1.34 0.00 0.00 175.55 176.29 1ilf n THR 30 N 2.08 0.09 0.00 4.34 -2.24 -1.26 -4.83 114.28 112.45 1ilf n THR 30 Ca -0.02 -1.27 0.00 0.00 -2.27 0.00 0.00 64.05 60.49 1ilf n THR 30 Cb 0.49 1.01 0.00 0.00 -2.10 0.00 0.00 70.33 69.72 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 -1.23 0.06 1.16 3.38 0.00 -1.26 -4.89 105.19 102.41 1ilf n GLY 31 Ca -0.12 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.98 1ilf n GLY 31 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1ilf n PHE 32 N 0.00 1.12 1.00 1.61 1.16 -1.26 -4.37 117.46 116.73 1ilf n PHE 32 Ca 0.00 -0.69 0.12 0.00 -1.87 0.00 0.00 57.45 55.02 1ilf n PHE 32 Cb 0.00 -0.24 0.32 0.00 -1.61 0.00 0.00 39.48 37.95 1ilf n PHE 32 CO 0.00 0.00 0.00 2.89 -1.87 0.00 0.00 176.76 177.78 1ilf n ARG 33 N 0.39 0.00 0.04 3.97 0.00 -1.26 -4.11 116.66 115.70 1ilf n ARG 33 Ca 0.21 -0.00 0.02 0.00 -0.00 0.00 0.00 57.85 58.08 1ilf n ARG 33 Cb 0.81 -1.50 0.08 0.00 -0.00 0.00 0.00 32.46 31.86 1ilf n ARG 33 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1ilf n ASP 34 N -1.50 0.08 0.05 2.89 9.92 -1.26 -2.55 116.55 124.18 1ilf n ASP 34 Ca 0.06 0.34 0.00 0.00 -0.53 0.00 0.00 54.79 54.66 1ilf n ASP 34 Cb 0.34 -0.32 0.00 0.00 -0.64 0.00 0.00 41.12 40.49 1ilf n ASP 34 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1ilf n ARG 35 N -1.47 0.00 -2.96 -1.24 3.00 -1.26 -4.92 116.66 107.81 1ilf n ARG 35 Ca -0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 57.85 57.43 1ilf n ARG 35 Cb 0.26 -0.26 0.00 0.00 0.00 0.00 0.00 32.46 32.46 1ilf n ARG 35 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 1ilf n PRO 36 N -3.19 4.51 0.38 5.56 -0.04 -1.20 -4.87 135.00 136.14 1ilf n PRO 36 Ca 0.00 -4.60 -0.15 0.00 -0.04 0.00 0.00 63.50 58.72 1ilf n PRO 36 Cb 0.00 -2.48 -0.07 0.00 -0.04 0.00 0.00 33.50 30.91 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 5.06 -0.90 -0.69 0.54 2.76 -1.81 1.37 115.15 121.48 1ilf h HIS 37 Ca 0.26 -0.02 0.20 0.00 -2.20 0.00 0.00 60.37 58.61 1ilf h HIS 37 Cb 0.56 0.30 -0.03 0.00 1.55 0.00 0.00 27.41 29.79 1ilf h HIS 37 CO 1.05 -0.56 0.59 1.05 -1.30 0.00 0.00 177.93 178.76 1ilf h GLU 38 N -1.01 0.00 0.10 5.26 4.11 -1.89 1.07 114.58 122.22 1ilf h GLU 38 Ca -0.10 0.00 -0.30 0.00 0.07 0.00 0.00 59.36 59.03 1ilf h GLU 38 Cb 0.74 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 1ilf h GLU 38 CO 0.16 0.00 -1.55 1.49 0.07 0.00 0.00 179.01 179.18 1ilf h GLU 39 N 0.00 0.22 -1.03 1.06 4.81 -1.89 -3.23 114.58 114.52 1ilf h GLU 39 Ca 0.33 -0.38 0.30 0.00 -0.13 0.00 0.00 59.36 59.48 1ilf h GLU 39 Cb 1.51 0.14 -0.04 0.00 0.63 0.00 0.00 28.75 30.99 1ilf h GLU 39 CO -0.00 1.07 0.77 0.07 -0.73 0.00 0.00 179.01 180.18 1ilf h ARG 40 N 0.06 0.00 -0.91 1.92 -0.00 1.04 0.89 114.38 117.38 1ilf h ARG 40 Ca -0.25 0.00 0.10 0.00 -0.00 0.00 0.00 59.98 59.83 1ilf h ARG 40 Cb 2.01 0.00 -0.07 0.00 -0.00 0.00 0.00 29.97 31.91 1ilf h ARG 40 CO 0.15 0.00 0.58 -0.56 -0.00 0.00 0.00 179.97 180.14 1ilf h GLN 41 N 0.00 0.87 0.02 0.08 -0.00 -1.31 1.39 115.11 116.16 1ilf h GLN 41 Ca 0.49 -0.05 -0.26 0.00 -0.00 0.00 0.00 58.65 58.83 1ilf h GLN 41 Cb 2.02 -0.20 -0.04 0.00 -0.00 0.00 0.00 27.48 29.26 1ilf h GLN 41 CO -0.01 0.58 -1.40 1.15 -0.00 0.00 0.00 178.83 179.16 1ilf h THR 42 N 0.90 1.24 -0.19 1.86 2.02 0.50 -2.55 112.91 116.70 1ilf h THR 42 Ca 0.42 -3.01 -0.08 0.00 0.77 0.00 0.00 66.41 64.52 1ilf h THR 42 Cb 0.42 2.64 -0.01 0.00 -1.74 0.00 0.00 68.15 69.46 1ilf h THR 42 CO -0.19 0.74 -0.23 0.03 0.37 0.00 0.00 175.52 176.25 1ilf h ARG 43 N 0.01 0.34 0.05 6.66 -0.00 0.84 0.69 114.38 122.98 1ilf h ARG 43 Ca -0.17 -0.11 -0.00 0.00 -0.50 0.00 0.00 59.98 59.20 1ilf h ARG 43 Cb 1.91 -0.03 0.00 0.00 0.00 0.00 0.00 29.97 31.86 1ilf h ARG 43 CO 0.11 0.55 -0.03 0.35 0.00 0.00 0.00 179.97 180.96 1ilf h PHE 44 N 0.31 -0.07 0.00 3.04 3.57 0.17 0.22 116.94 124.18 1ilf h PHE 44 Ca 0.05 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 1ilf h PHE 44 Cb 0.57 0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.33 1ilf h PHE 44 CO 0.01 0.55 -0.05 1.96 -2.23 0.00 0.00 178.31 178.55 1ilf h GLN 45 N -0.82 0.00 0.00 1.11 1.08 -1.33 0.21 115.11 115.35 1ilf h GLN 45 Ca -0.01 0.00 -0.16 0.00 -1.45 0.00 0.00 58.65 57.03 1ilf h GLN 45 Cb 0.65 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.05 1ilf h GLN 45 CO 0.01 0.05 -0.78 -0.91 -0.95 0.00 0.00 178.83 176.25 1ilf h ASN 46 N 0.00 0.00 0.75 1.46 -0.26 0.41 -3.09 115.58 114.85 1ilf h ASN 46 Ca -0.00 0.00 -0.17 0.00 -0.56 0.00 0.00 56.30 55.57 1ilf h ASN 46 Cb 0.10 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.34 1ilf h ASN 46 CO 0.01 0.78 -0.80 0.00 -1.06 0.00 0.00 177.43 176.36 1ilf h ALA 47 N 1.22 0.67 0.00 -0.83 0.00 0.10 -2.51 119.26 117.91 1ilf h ALA 47 Ca -0.01 -0.72 -0.00 0.00 0.00 0.00 0.00 54.91 54.18 1ilf h ALA 47 Cb 1.58 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.25 1ilf h ALA 47 CO 0.10 0.97 -0.01 0.00 0.00 0.00 0.00 179.25 180.31 1ilf h ARG 49 N 0.00 0.15 -0.60 0.00 0.11 -1.45 -2.86 114.38 109.74 1ilf h ARG 49 Ca -0.00 -0.10 0.00 0.00 0.10 0.00 0.00 59.98 59.98 1ilf h ARG 49 Cb 0.18 0.02 0.00 0.00 1.11 0.00 0.00 29.97 31.28 1ilf h ARG 49 CO 0.00 0.71 0.00 -0.25 0.10 0.00 0.00 179.97 180.53 1ilf n ASP 50 N -3.85 3.43 -2.72 0.08 8.00 -0.13 -3.75 116.55 117.61 1ilf n ASP 50 Ca -0.02 -1.99 -0.20 0.00 0.71 0.00 0.00 54.79 53.29 1ilf n ASP 50 Cb 0.61 -0.40 0.03 0.00 -0.02 0.00 0.00 41.12 41.35 1ilf n ASP 50 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ilf n GLY 51 N 1.52 -0.39 3.21 0.44 0.00 -0.85 -4.91 105.19 104.21 1ilf n GLY 51 Ca 0.21 0.03 -0.11 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 -5.59 0.33 0.07 1.61 0.52 -0.77 0.47 118.95 115.59 1ilf s ARG 52 Ca 0.28 0.76 -0.07 0.00 -0.52 0.00 0.00 55.73 56.18 1ilf s ARG 52 Cb -0.12 -0.00 -0.01 0.00 0.52 0.00 0.00 34.95 35.33 1ilf s ARG 52 CO 0.34 -0.18 0.13 0.45 0.02 0.00 0.00 175.30 176.06 1ilf s SER 53 N 1.59 0.21 -0.39 0.23 0.15 -0.98 -4.05 113.70 110.46 1ilf s SER 53 Ca -0.08 -0.69 -0.03 0.00 0.70 0.00 0.00 55.95 55.85 1ilf s SER 53 Cb -0.09 0.29 0.09 0.00 -1.71 0.00 0.00 66.02 64.60 1ilf s SER 53 CO -0.12 -0.66 0.16 -0.70 1.20 0.00 0.00 173.24 173.13 1ilf s GLU 54 N -3.61 2.13 0.01 5.44 2.12 -1.26 -2.18 118.70 121.35 1ilf s GLU 54 Ca 0.03 -1.68 0.03 0.00 0.36 0.00 0.00 54.97 53.72 1ilf s GLU 54 Cb 0.04 -3.51 -0.03 0.00 0.26 0.00 0.00 34.13 30.89 1ilf s GLU 54 CO -0.09 -0.97 -0.06 0.96 -0.54 0.00 0.00 175.26 174.55 1ilf s ILE 55 N 1.18 3.66 0.16 -3.70 -0.00 -0.16 -4.24 121.20 118.10 1ilf s ILE 55 Ca 0.05 -0.81 0.01 0.00 -0.00 0.00 0.00 60.65 59.91 1ilf s ILE 55 Cb -0.22 -2.60 -0.04 0.00 -0.00 0.00 0.00 42.46 39.60 1ilf s ILE 55 CO -0.03 0.37 0.32 0.00 -0.00 0.00 0.00 174.94 175.60 1ilf s ALA 56 N -1.02 3.92 -0.18 2.27 0.00 0.17 -0.65 121.76 126.27 1ilf s ALA 56 Ca 0.18 -0.93 -0.01 0.00 0.00 0.00 0.00 51.96 51.19 1ilf s ALA 56 Cb -0.11 -1.87 -0.00 0.00 0.00 0.00 0.00 23.12 21.14 1ilf s ALA 56 CO 0.08 0.53 -0.12 0.12 0.00 0.00 0.00 175.76 176.37 1ilf s PHE 57 N -1.77 2.85 -0.07 0.00 2.19 0.21 -2.10 117.98 119.29 1ilf s PHE 57 Ca 0.36 -1.03 0.19 0.00 0.33 0.00 0.00 56.93 56.78 1ilf s PHE 57 Cb -0.11 -1.96 0.42 0.00 -1.31 0.00 0.00 43.02 40.06 1ilf s PHE 57 CO 0.29 -0.50 1.61 0.28 1.83 0.00 0.00 175.22 178.72 1ilf h VAL 58 N 5.67 0.66 -0.69 3.12 2.07 -1.60 0.35 116.25 125.83 1ilf h VAL 58 Ca -0.37 -1.67 0.14 0.00 0.82 0.00 0.00 66.70 65.62 1ilf h VAL 58 Cb 1.18 2.13 -0.13 0.00 -1.52 0.00 0.00 31.29 32.94 1ilf h VAL 58 CO 0.59 0.34 -0.19 0.00 0.02 0.00 0.00 177.57 178.33 1ilf h ALA 59 N 1.66 0.42 0.00 1.67 0.00 -1.88 -3.25 119.26 117.87 1ilf h ALA 59 Ca -0.00 0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1ilf h ALA 59 Cb 1.10 0.55 0.00 0.00 0.00 0.00 0.00 17.79 19.44 1ilf h ALA 59 CO 0.04 -0.44 -0.31 0.25 0.00 0.00 0.00 179.25 178.80 1ilf n THR 60 N -5.47 0.00 -3.35 0.00 -2.24 -1.25 -5.02 114.28 96.96 1ilf n THR 60 Ca 0.09 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.71 1ilf n THR 60 Cb 0.36 0.69 0.08 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 0.00 -0.34 3.48 3.38 0.00 0.12 -5.00 105.19 106.83 1ilf n GLY 61 Ca 0.00 0.08 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.34 3.80 0.29 2.61 -1.32 -0.78 -4.87 115.64 112.02 1ilf s THR 62 Ca 0.01 -0.39 -0.28 0.00 -1.21 0.00 0.00 61.69 59.82 1ilf s THR 62 Cb -0.00 -2.66 -0.09 0.00 -1.51 0.00 0.00 72.50 68.23 1ilf s THR 62 CO 0.69 0.49 0.95 0.21 -2.21 0.00 0.00 174.62 174.75 1ilf s ASN 63 N 0.38 7.46 -0.05 8.08 3.04 -1.26 -0.62 114.94 131.97 1ilf s ASN 63 Ca -0.05 1.90 -0.02 0.00 0.04 0.00 0.00 52.86 54.73 1ilf s ASN 63 Cb -0.14 -2.59 0.04 0.00 -1.54 0.00 0.00 41.25 37.01 1ilf s ASN 63 CO 0.03 0.02 0.10 -0.76 -3.04 0.00 0.00 177.10 173.45 1ilf s LEU 64 N -1.66 0.22 -0.36 3.21 1.43 0.18 -4.95 118.68 116.74 1ilf s LEU 64 Ca 0.46 0.18 -0.09 0.00 -1.03 0.00 0.00 54.13 53.65 1ilf s LEU 64 Cb -0.22 0.05 0.03 0.00 0.03 0.00 0.00 46.19 46.08 1ilf s LEU 64 CO 0.28 -0.23 0.17 -0.44 0.23 0.00 0.00 176.35 176.36 1ilf s SER 65 N 2.01 5.59 0.15 2.29 0.01 -1.26 -0.99 113.70 121.49 1ilf s SER 65 Ca 0.02 -1.06 0.11 0.00 1.31 0.00 0.00 55.95 56.33 1ilf s SER 65 Cb -0.12 -1.97 -0.04 0.00 0.21 0.00 0.00 66.02 64.10 1ilf s SER 65 CO -0.04 -0.37 -0.25 -0.76 0.41 0.00 0.00 173.24 172.22 1ilf s LEU 66 N 1.50 2.36 -0.37 2.44 1.02 -0.93 -5.02 118.68 119.68 1ilf s LEU 66 Ca 0.01 -0.78 -0.04 0.00 0.02 0.00 0.00 54.13 53.34 1ilf s LEU 66 Cb -0.19 -1.17 0.08 0.00 0.02 0.00 0.00 46.19 44.93 1ilf s LEU 66 CO 0.05 0.15 0.14 -1.10 0.02 0.00 0.00 176.35 175.61 1ilf s GLN 67 N -2.26 2.26 -0.25 1.70 -0.21 -1.26 -2.31 119.66 117.34 1ilf s GLN 67 Ca 0.16 -1.55 -0.07 0.00 0.02 0.00 0.00 55.36 53.91 1ilf s GLN 67 Cb -0.09 -3.47 -0.03 0.00 1.00 0.00 0.00 33.01 30.41 1ilf s GLN 67 CO 0.07 -0.88 0.08 -0.59 -2.12 0.00 0.00 175.29 171.84 1ilf s PHE 68 N 1.23 3.09 0.05 0.91 -0.12 0.18 -4.45 117.98 118.88 1ilf s PHE 68 Ca 0.03 -0.39 -0.26 0.00 -0.05 0.00 0.00 56.93 56.27 1ilf s PHE 68 Cb -0.22 -2.24 0.06 0.00 -0.63 0.00 0.00 43.02 40.00 1ilf s PHE 68 CO -0.02 -0.34 0.60 -0.06 -0.05 0.00 0.00 175.22 175.36 1ilf s PHE 69 N 1.59 -0.55 -0.21 3.49 0.08 -1.26 -4.24 117.98 116.88 1ilf s PHE 69 Ca 0.06 0.64 -0.29 0.00 0.12 0.00 0.00 56.93 57.47 1ilf s PHE 69 Cb -0.15 0.44 -0.06 0.00 -0.57 0.00 0.00 43.02 42.68 1ilf s PHE 69 CO 0.04 -0.71 2.20 -0.35 -0.10 0.00 0.00 175.22 176.30 1ilf n PRO 70 N 0.29 1.96 0.16 0.24 -0.04 -1.26 -4.82 135.00 131.53 1ilf n PRO 70 Ca -0.18 0.56 0.12 0.00 -0.04 0.00 0.00 63.50 63.96 1ilf n PRO 70 Cb 0.61 -3.14 0.57 0.00 -0.04 0.00 0.00 33.50 31.50 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 11.10 1.26 -0.03 0.55 0.00 -1.26 -2.01 120.51 130.12 1ilf n ALA 71 Ca 0.30 0.17 -0.04 0.00 0.00 0.00 0.00 53.44 53.87 1ilf n ALA 71 Cb 0.42 -1.35 0.15 0.00 0.00 0.00 0.00 19.45 18.67 1ilf n ALA 71 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1ilf n SER 72 N -2.28 3.38 -4.33 0.00 7.64 -1.26 -4.80 113.62 111.97 1ilf n SER 72 Ca -0.00 -2.64 -0.40 0.00 1.01 0.00 0.00 58.87 56.84 1ilf n SER 72 Cb 0.10 -0.63 -0.11 0.00 -1.01 0.00 0.00 64.21 62.56 1ilf n SER 72 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 1ilf s TRP 73 N -1.76 3.28 -0.22 1.43 0.52 -0.85 -5.06 118.94 116.28 1ilf s TRP 73 Ca 0.28 -1.22 -0.01 0.00 0.02 0.00 0.00 56.10 55.17 1ilf s TRP 73 Cb 0.22 -2.64 0.02 0.00 -1.15 0.00 0.00 33.47 29.93 1ilf s TRP 73 CO 0.07 -0.74 -0.10 -0.65 0.02 0.00 0.00 176.95 175.55 1ilf s GLN 74 N 1.49 2.98 0.00 4.98 -0.21 -1.26 -4.59 119.66 123.05 1ilf s GLN 74 Ca 0.02 -0.87 0.00 0.00 0.02 0.00 0.00 55.36 54.53 1ilf s GLN 74 Cb -0.21 -2.85 0.00 0.00 1.00 0.00 0.00 33.01 30.95 1ilf s GLN 74 CO 0.05 -0.30 0.00 0.41 -2.12 0.00 0.00 175.29 173.32 1ilf n GLY 75 N 4.67 3.29 2.81 3.09 0.00 -1.26 -4.94 105.19 112.85 1ilf n GLY 75 Ca -0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.85 1.87 -0.31 1.61 -0.58 -1.26 -4.70 120.64 115.43 1ilf n GLU 76 Ca 0.00 -1.65 0.07 0.00 -0.42 0.00 0.00 57.16 55.16 1ilf n GLU 76 Cb 0.00 -2.66 0.17 0.00 -0.57 0.00 0.00 31.44 28.38 1ilf n GLU 76 CO 0.00 0.00 0.00 -0.56 -0.48 0.00 0.00 177.13 176.09 1ilf h GLN 77 N 6.94 0.02 -6.68 3.49 3.07 -1.95 -3.40 115.11 116.61 1ilf h GLN 77 Ca 0.47 -0.00 -0.56 0.00 0.09 0.00 0.00 58.65 58.64 1ilf h GLN 77 Cb 0.38 -0.01 0.09 0.00 0.08 0.00 0.00 27.48 28.02 1ilf h GLN 77 CO 1.67 0.02 0.69 0.54 0.09 0.00 0.00 178.83 181.83 1ilf n ARG 78 N -5.51 2.27 -3.35 0.06 1.74 -1.26 -4.95 116.66 105.66 1ilf n ARG 78 Ca 0.16 0.81 -0.39 0.00 -0.77 0.00 0.00 57.85 57.65 1ilf n ARG 78 Cb 0.54 -2.50 -0.09 0.00 -1.02 0.00 0.00 32.46 29.39 1ilf n ARG 78 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1ilf s GLN 79 N -0.64 3.99 -0.06 5.56 -0.21 -1.26 -5.06 119.66 121.98 1ilf s GLN 79 Ca 0.65 0.07 0.04 0.00 0.02 0.00 0.00 55.36 56.14 1ilf s GLN 79 Cb -0.59 -3.67 -0.00 0.00 1.00 0.00 0.00 33.01 29.75 1ilf s GLN 79 CO 0.51 -0.32 -0.19 0.99 -2.12 0.00 0.00 175.29 174.16 1ilf s THR 80 N 2.13 1.60 -0.61 -0.19 2.01 -1.26 -4.88 115.64 114.43 1ilf s THR 80 Ca 0.16 -0.79 -0.26 0.00 0.31 0.00 0.00 61.69 61.12 1ilf s THR 80 Cb -0.16 -1.39 0.04 0.00 0.01 0.00 0.00 72.50 71.01 1ilf s THR 80 CO 0.10 0.46 1.09 -2.16 -0.69 0.00 0.00 174.62 173.42 1ilf s PRO 81 N 0.21 3.33 -0.02 4.92 0.04 -1.25 -4.89 135.00 137.34 1ilf s PRO 81 Ca -0.09 -0.17 0.01 0.00 0.04 0.00 0.00 61.00 60.78 1ilf s PRO 81 Cb -0.14 -4.09 -0.04 0.00 0.04 0.00 0.00 34.50 30.27 1ilf s PRO 81 CO 0.04 -1.73 0.00 -1.54 0.04 0.00 0.00 177.00 173.82 1ilf s SER 82 N 3.17 5.17 0.00 6.66 1.04 -1.23 -4.95 113.70 123.57 1ilf s SER 82 Ca 0.34 0.04 0.05 0.00 0.48 0.00 0.00 55.95 56.86 1ilf s SER 82 Cb -0.11 -1.38 0.31 0.00 0.10 0.00 0.00 66.02 64.95 1ilf s SER 82 CO 0.19 0.30 0.78 -2.11 0.98 0.00 0.00 173.24 173.39 1ilf n ARG 83 N 1.56 0.16 -0.08 4.02 0.00 -1.05 0.11 116.66 121.39 1ilf n ARG 83 Ca -0.15 0.00 -0.14 0.00 -0.00 0.00 0.00 57.85 57.56 1ilf n ARG 83 Cb 0.53 -1.50 -0.05 0.00 -0.00 0.00 0.00 32.46 31.44 1ilf n ARG 83 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 1ilf h GLU 84 N 0.00 0.68 0.00 2.89 5.08 -1.96 -3.40 114.58 117.87 1ilf h GLU 84 Ca 0.00 -0.39 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 1ilf h GLU 84 Cb 0.00 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1ilf h GLU 84 CO 0.00 1.01 -0.97 0.66 -1.00 0.00 0.00 179.01 178.71 1ilf n TYR 85 N -4.24 0.00 -3.98 4.33 4.02 -0.84 -4.84 117.16 111.61 1ilf n TYR 85 Ca -0.05 0.00 -0.31 0.00 -0.01 0.00 0.00 57.90 57.54 1ilf n TYR 85 Cb 0.51 0.00 -0.15 0.00 -0.02 0.00 0.00 39.34 39.67 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 -1.97 1.76 0.04 -0.72 -7.23 0.12 0.64 120.40 113.05 1ilf s VAL 86 Ca 0.00 -1.44 -0.06 0.00 -1.81 0.00 0.00 61.98 58.67 1ilf s VAL 86 Cb 0.00 -2.01 -0.05 0.00 0.56 0.00 0.00 36.38 34.88 1ilf s VAL 86 CO 0.00 -0.14 0.29 -0.62 -0.31 0.00 0.00 175.10 174.33 1ilf s ASP 87 N 1.27 6.50 0.00 4.85 -1.08 -0.64 -2.53 116.67 125.04 1ilf s ASP 87 Ca -0.05 0.56 0.00 0.00 -0.52 0.00 0.00 52.55 52.54 1ilf s ASP 87 Cb -0.19 -2.09 0.00 0.00 -1.46 0.00 0.00 42.92 39.18 1ilf s ASP 87 CO -0.07 0.20 0.74 0.18 0.52 0.00 0.00 175.17 176.75 1ilf n LEU 88 N 0.84 0.00 -5.02 -1.34 7.99 -1.26 -4.24 117.00 113.97 1ilf n LEU 88 Ca -0.09 -0.64 -0.18 0.00 -0.01 0.00 0.00 56.01 55.10 1ilf n LEU 88 Cb 0.52 0.00 0.03 0.00 -0.11 0.00 0.00 43.42 43.86 1ilf n LEU 88 CO 0.44 0.24 0.22 -0.70 -1.51 0.00 0.00 177.39 176.07 1ilf s GLU 89 N 0.00 2.65 -1.30 3.23 2.12 -1.26 -5.02 118.70 119.13 1ilf s GLU 89 Ca 0.00 -1.37 -0.08 0.00 0.36 0.00 0.00 54.97 53.88 1ilf s GLU 89 Cb 0.00 -2.72 0.15 0.00 0.26 0.00 0.00 34.13 31.82 1ilf s GLU 89 CO 0.00 -0.47 2.07 2.89 -0.54 0.00 0.00 175.26 179.21 1ilf n ARG 90 N -1.98 3.99 0.00 4.30 -4.01 -1.26 -4.60 116.66 113.09 1ilf n ARG 90 Ca 0.11 -3.50 0.12 0.00 -1.04 0.00 0.00 57.85 53.54 1ilf n ARG 90 Cb 0.60 -2.81 0.32 0.00 -3.04 0.00 0.00 32.46 27.53 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 3.04 0.31 0.00 2.89 1.02 -1.26 -4.55 120.64 122.09 1ilf n GLU 91 Ca 0.48 -0.17 0.00 0.00 -0.02 0.00 0.00 57.16 57.45 1ilf n GLU 91 Cb 0.32 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.24 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 -1.20 0.00 0.00 0.62 0.00 -1.26 -5.01 120.51 113.66 1ilf n ALA 92 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1ilf n ALA 92 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.79 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 1.55 4.00 0.00 0.00 -1.26 -4.86 105.19 104.61 1ilf n GLY 93 Ca 0.00 -0.03 -0.23 0.00 0.00 0.00 0.00 46.02 45.77 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 1.85 -0.09 1.61 3.01 -1.26 -4.73 119.74 120.13 1ilf s LYS 94 Ca 0.00 -1.17 0.04 0.00 -1.01 0.00 0.00 55.97 53.83 1ilf s LYS 94 Cb 0.00 -2.40 -0.01 0.00 -1.01 0.00 0.00 37.83 34.42 1ilf s LYS 94 CO 0.00 -1.29 -0.22 0.14 0.51 0.00 0.00 175.35 174.49 1ilf s VAL 95 N -3.03 2.25 0.14 3.17 -7.23 -0.92 -4.48 120.40 110.30 1ilf s VAL 95 Ca 0.65 -0.97 0.07 0.00 -1.81 0.00 0.00 61.98 59.92 1ilf s VAL 95 Cb -0.06 -1.86 -0.04 0.00 0.56 0.00 0.00 36.38 34.99 1ilf s VAL 95 CO 0.43 0.56 -0.06 -0.72 -0.31 0.00 0.00 175.10 175.00 1ilf s TYR 96 N 0.12 2.78 0.20 2.82 -0.85 -1.26 -0.02 117.35 121.14 1ilf s TYR 96 Ca -0.11 -0.15 0.01 0.00 -0.52 0.00 0.00 57.07 56.30 1ilf s TYR 96 Cb -0.16 -1.40 -0.05 0.00 0.38 0.00 0.00 41.96 40.73 1ilf s TYR 96 CO 0.06 0.48 0.04 -0.51 -1.52 0.00 0.00 175.55 174.10 1ilf s LEU 97 N -2.55 1.91 -0.05 -3.49 1.02 0.06 -1.62 118.68 113.96 1ilf s LEU 97 Ca 0.24 -1.25 -0.02 0.00 0.02 0.00 0.00 54.13 53.13 1ilf s LEU 97 Cb -0.10 0.01 0.04 0.00 0.02 0.00 0.00 46.19 46.15 1ilf s LEU 97 CO 0.16 -0.64 0.09 -0.75 0.02 0.00 0.00 176.35 175.23 1ilf s LYS 98 N -3.97 -0.01 -0.01 1.70 2.20 0.21 -2.08 119.74 117.78 1ilf s LYS 98 Ca 0.29 0.37 0.02 0.00 -0.36 0.00 0.00 55.97 56.28 1ilf s LYS 98 Cb 0.07 -0.33 -0.00 0.00 -1.51 0.00 0.00 37.83 36.06 1ilf s LYS 98 CO 0.07 -0.25 -0.05 0.00 -0.36 0.00 0.00 175.35 174.76 1ilf s ALA 99 N 1.72 0.42 -0.29 3.13 0.00 -0.88 -4.25 121.76 121.61 1ilf s ALA 99 Ca -0.02 -0.21 -0.19 0.00 0.00 0.00 0.00 51.96 51.55 1ilf s ALA 99 Cb -0.12 -0.12 -0.02 0.00 0.00 0.00 0.00 23.12 22.86 1ilf s ALA 99 CO -0.04 0.10 0.57 -1.25 0.00 0.00 0.00 175.76 175.13 1ilf s PRO 100 N -0.08 3.94 0.40 0.00 0.04 -1.26 -1.57 135.00 136.47 1ilf s PRO 100 Ca 0.01 0.26 0.05 0.00 0.04 0.00 0.00 61.00 61.36 1ilf s PRO 100 Cb -0.02 -3.70 -0.06 0.00 0.04 0.00 0.00 34.50 30.75 1ilf s PRO 100 CO -0.00 -0.48 0.03 -1.64 0.04 0.00 0.00 177.00 174.95 1ilf s MET 101 N 2.45 1.90 -0.38 4.56 -1.94 0.13 -4.93 119.30 121.09 1ilf s MET 101 Ca 0.23 -2.10 -0.06 0.00 -1.71 0.00 0.00 55.69 52.05 1ilf s MET 101 Cb -0.15 -1.29 0.07 0.00 2.01 0.00 0.00 34.83 35.46 1ilf s MET 101 CO 0.11 -0.18 0.17 0.42 -0.01 0.00 0.00 175.02 175.53 1ilf s ILE 102 N -2.96 3.70 0.09 2.53 -1.09 -1.26 -0.87 121.20 121.34 1ilf s ILE 102 Ca 0.30 -1.47 0.05 0.00 -2.23 0.00 0.00 60.65 57.29 1ilf s ILE 102 Cb 0.08 -3.26 -0.04 0.00 -1.58 0.00 0.00 42.46 37.66 1ilf s ILE 102 CO 0.15 -0.40 0.02 -0.76 -1.23 0.00 0.00 174.94 172.72 1ilf s LEU 103 N 1.33 3.53 0.00 2.97 1.43 -0.43 -4.87 118.68 122.64 1ilf s LEU 103 Ca 0.02 -0.15 0.00 0.00 -1.03 0.00 0.00 54.13 52.97 1ilf s LEU 103 Cb -0.22 -2.25 0.00 0.00 0.03 0.00 0.00 46.19 43.75 1ilf s LEU 103 CO 0.00 0.17 0.00 -3.20 0.23 0.00 0.00 176.35 173.55 1ilf n ASN 104 N 0.49 0.00 -4.23 2.29 5.15 -1.26 0.13 115.26 117.83 1ilf n ASN 104 Ca -0.10 0.00 -0.34 0.00 -0.60 0.00 0.00 54.58 53.54 1ilf n ASN 104 Cb 0.52 0.00 -0.07 0.00 -0.53 0.00 0.00 39.78 39.70 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 -0.28 3.57 8.20 0.00 -1.26 -4.93 105.19 110.52 1ilf n GLY 105 Ca 0.00 0.21 -0.14 0.00 0.00 0.00 0.00 46.02 46.09 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 -4.18 0.00 -0.38 1.61 1.01 0.35 -3.05 120.40 115.76 1ilf s VAL 106 Ca 0.10 0.00 -0.26 0.00 0.00 0.00 0.00 61.98 61.82 1ilf s VAL 106 Cb -0.05 -1.00 0.02 0.00 0.00 0.00 0.00 36.38 35.34 1ilf s VAL 106 CO 0.98 0.00 0.94 0.00 0.00 0.00 0.00 175.10 177.03 1ilf s VAL 108 N 3.57 2.14 -0.19 0.00 -7.23 -0.05 -0.94 120.40 117.69 1ilf s VAL 108 Ca 0.39 -1.75 -0.05 0.00 -1.81 0.00 0.00 61.98 58.75 1ilf s VAL 108 Cb -0.11 -2.89 0.09 0.00 0.56 0.00 0.00 36.38 34.03 1ilf s VAL 108 CO 0.20 0.00 0.35 -0.63 -0.31 0.00 0.00 175.10 174.71 1ilf s ILE 109 N -2.65 -0.55 -0.22 -0.62 1.01 0.23 -0.69 121.20 117.70 1ilf s ILE 109 Ca 0.37 0.13 -0.13 0.00 0.00 0.00 0.00 60.65 61.03 1ilf s ILE 109 Cb 0.04 -0.63 -0.05 0.00 0.01 0.00 0.00 42.46 41.83 1ilf s ILE 109 CO 0.20 0.03 0.26 0.86 0.00 0.00 0.00 174.94 176.29 1ilf s TRP 110 N 2.53 3.35 0.00 3.97 -0.00 -0.61 0.24 118.94 128.42 1ilf s TRP 110 Ca 0.03 0.40 0.04 0.00 -0.00 0.00 0.00 56.10 56.57 1ilf s TRP 110 Cb -0.13 -2.36 -0.01 0.00 -0.00 0.00 0.00 33.47 30.96 1ilf s TRP 110 CO -0.12 0.06 -0.13 0.21 -0.00 0.00 0.00 176.95 176.97 1ilf s LYS 111 N 1.06 0.99 0.00 5.86 2.36 0.45 -2.07 119.74 128.40 1ilf s LYS 111 Ca 0.12 -0.53 0.00 0.00 -2.55 0.00 0.00 55.97 53.01 1ilf s LYS 111 Cb -0.14 -0.96 0.00 0.00 -1.05 0.00 0.00 37.83 35.68 1ilf s LYS 111 CO 0.05 0.26 0.00 0.41 1.55 0.00 0.00 175.35 177.62 1ilf n GLY 112 N 2.52 0.65 3.47 5.54 0.00 -0.88 -0.32 105.19 116.17 1ilf n GLY 112 Ca -0.15 -0.77 -0.28 0.00 0.00 0.00 0.00 46.02 44.81 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 2.46 -0.07 1.61 1.48 0.27 -0.76 118.94 121.92 1ilf s TRP 113 Ca 0.00 -0.30 0.02 0.00 -1.06 0.00 0.00 56.10 54.77 1ilf s TRP 113 Cb 0.00 -1.26 -0.02 0.00 -1.16 0.00 0.00 33.47 31.02 1ilf s TRP 113 CO 0.00 0.44 -0.13 0.42 -4.06 0.00 0.00 176.95 173.62 1ilf s ILE 114 N -1.40 3.17 -0.08 0.66 -1.09 0.97 -1.63 121.20 121.80 1ilf s ILE 114 Ca 0.20 -0.67 -0.24 0.00 -2.23 0.00 0.00 60.65 57.71 1ilf s ILE 114 Cb -0.09 -2.27 -0.03 0.00 -1.58 0.00 0.00 42.46 38.48 1ilf s ILE 114 CO 0.11 0.58 0.73 1.51 -1.23 0.00 0.00 174.94 176.63 1ilf s ASP 115 N -0.52 6.98 -0.00 3.58 1.47 0.15 -2.16 116.67 126.17 1ilf s ASP 115 Ca 0.07 1.19 0.00 0.00 1.18 0.00 0.00 52.55 54.99 1ilf s ASP 115 Cb -0.12 -2.42 0.00 0.00 -0.34 0.00 0.00 42.92 40.05 1ilf s ASP 115 CO 0.02 -0.17 0.76 0.18 0.68 0.00 0.00 175.17 176.64 1ilf n LEU 116 N 4.05 0.50 0.02 2.11 4.77 -1.26 -1.39 117.00 125.80 1ilf n LEU 116 Ca -0.00 -0.25 -0.01 0.00 -0.03 0.00 0.00 56.01 55.71 1ilf n LEU 116 Cb 0.51 -0.24 -0.00 0.00 -2.33 0.00 0.00 43.42 41.35 1ilf n LEU 116 CO 0.47 0.12 -0.19 1.41 -1.33 0.00 0.00 177.39 177.88 1ilf n HIS 117 N -0.25 0.00 0.25 -1.77 8.25 -1.26 -4.79 115.22 115.64 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 0.12 -0.06 0.07 0.00 1.12 0.00 0.00 29.99 31.25 1ilf n HIS 117 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ilf h ARG 118 N -0.09 0.00 -1.51 -0.41 3.08 -2.00 -3.48 114.38 109.97 1ilf h ARG 118 Ca -0.02 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.93 1ilf h ARG 118 Cb 0.32 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.39 1ilf h ARG 118 CO -0.01 0.00 -0.15 1.28 -1.07 0.00 0.00 179.97 180.02 1ilf n LEU 119 N -2.58 -1.83 -3.91 3.04 4.77 -0.49 -4.97 117.00 111.03 1ilf n LEU 119 Ca 0.01 -0.07 -0.09 0.00 -0.03 0.00 0.00 56.01 55.83 1ilf n LEU 119 Cb 0.52 -1.11 -0.06 0.00 -2.33 0.00 0.00 43.42 40.44 1ilf n LEU 119 CO 0.38 0.06 0.08 1.51 -1.33 0.00 0.00 177.39 178.09 1ilf s ASP 120 N -2.93 -0.05 0.00 -1.43 1.47 -1.23 -2.13 116.67 110.36 1ilf s ASP 120 Ca 0.08 -0.78 0.00 0.00 1.18 0.00 0.00 52.55 53.02 1ilf s ASP 120 Cb -0.03 0.49 0.00 0.00 -0.34 0.00 0.00 42.92 43.04 1ilf s ASP 120 CO 0.10 -0.96 0.00 0.61 0.68 0.00 0.00 175.17 175.59 1ilf n GLY 121 N -0.27 2.54 3.09 2.12 0.00 -0.11 0.31 105.19 112.88 1ilf n GLY 121 Ca -0.07 -0.08 -0.28 0.00 0.00 0.00 0.00 46.02 45.59 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 4.74 2.23 0.39 1.61 -1.94 -0.65 -0.39 119.30 125.29 1ilf s MET 122 Ca 0.00 -0.59 0.06 0.00 -1.71 0.00 0.00 55.69 53.45 1ilf s MET 122 Cb 0.00 -1.79 -0.07 0.00 2.01 0.00 0.00 34.83 34.98 1ilf s MET 122 CO 0.00 0.05 0.03 0.20 -0.01 0.00 0.00 175.02 175.28 1ilf s GLY 123 N 0.65 2.41 -0.10 -0.03 0.00 -0.85 -0.57 107.32 108.83 1ilf s GLY 123 Ca -0.14 -2.15 -0.31 0.00 0.00 0.00 0.00 44.72 42.13 1ilf s GLY 123 CO 0.04 -2.02 1.01 0.00 0.00 0.00 0.00 173.10 172.13 1ilf s LEU 125 N -2.00 3.42 0.08 0.00 1.43 -0.79 -0.41 118.68 120.41 1ilf s LEU 125 Ca 0.04 -0.42 -0.13 0.00 -1.03 0.00 0.00 54.13 52.59 1ilf s LEU 125 Cb -0.01 -2.00 0.02 0.00 0.03 0.00 0.00 46.19 44.23 1ilf s LEU 125 CO -0.05 0.03 0.31 -1.61 0.23 0.00 0.00 176.35 175.26 1ilf s GLU 126 N -3.37 0.90 -0.05 1.70 2.02 0.14 -4.18 118.70 115.86 1ilf s GLU 126 Ca 0.30 -0.67 -0.02 0.00 0.02 0.00 0.00 54.97 54.60 1ilf s GLU 126 Cb -0.08 0.39 -0.04 0.00 0.10 0.00 0.00 34.13 34.50 1ilf s GLU 126 CO 0.21 -0.31 0.05 0.12 0.02 0.00 0.00 175.26 175.35 1ilf s PHE 127 N -3.26 3.26 -0.42 1.61 2.19 -1.26 0.75 117.98 120.86 1ilf s PHE 127 Ca -0.00 0.24 -0.22 0.00 0.33 0.00 0.00 56.93 57.28 1ilf s PHE 127 Cb 0.01 -1.78 0.02 0.00 -1.31 0.00 0.00 43.02 39.96 1ilf s PHE 127 CO -0.08 0.54 0.72 0.34 1.83 0.00 0.00 175.22 178.57 1ilf s ASP 128 N -1.30 6.41 0.08 6.13 -1.08 -0.12 -4.88 116.67 121.91 1ilf s ASP 128 Ca 0.18 -0.07 0.24 0.00 -0.52 0.00 0.00 52.55 52.38 1ilf s ASP 128 Cb -0.12 -2.36 0.30 0.00 -1.46 0.00 0.00 42.92 39.28 1ilf s ASP 128 CO 0.08 -0.80 1.26 -0.62 0.52 0.00 0.00 175.17 175.61 1ilf n GLU 129 N 6.43 0.24 -0.02 4.34 1.02 -1.26 -2.40 120.64 128.99 1ilf n GLU 129 Ca 0.01 0.05 -0.18 0.00 -0.02 0.00 0.00 57.16 57.01 1ilf n GLU 129 Cb 0.48 -1.63 -0.13 0.00 -0.02 0.00 0.00 31.44 30.14 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 0.14 0.12 3.49 5.08 -1.99 -3.32 114.58 118.09 1ilf h GLU 130 Ca 0.00 -0.23 -0.28 0.00 -1.00 0.00 0.00 59.36 57.85 1ilf h GLU 130 Cb 0.70 0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.04 1ilf h GLU 130 CO 0.00 1.11 -1.31 -0.09 -1.00 0.00 0.00 179.01 177.72 1ilf h ARG 131 N -0.68 0.26 -0.94 2.33 9.65 -1.99 -3.32 114.38 119.69 1ilf h ARG 131 Ca -0.15 -0.45 0.20 0.00 -1.10 0.00 0.00 59.98 58.49 1ilf h ARG 131 Cb 1.38 0.17 -0.11 0.00 -1.39 0.00 0.00 29.97 30.01 1ilf h ARG 131 CO 0.03 1.19 0.51 0.00 2.80 0.00 0.00 179.97 184.50 1ilf h ALA 132 N 0.57 1.55 -0.36 2.80 0.00 -1.64 -0.49 119.26 121.70 1ilf h ALA 132 Ca -0.16 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1ilf h ALA 132 Cb 1.98 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.77 1ilf h ALA 132 CO 0.19 -0.18 0.07 1.96 0.00 0.00 0.00 179.25 181.29 1ilf h GLN 133 N 0.60 0.58 -0.43 0.00 1.08 -1.66 -2.84 115.11 112.44 1ilf h GLN 133 Ca 0.56 -0.15 0.01 0.00 -1.45 0.00 0.00 58.65 57.62 1ilf h GLN 133 Cb 0.96 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 28.30 1ilf h GLN 133 CO -0.44 0.65 0.29 0.37 -0.95 0.00 0.00 178.83 178.75 1ilf h GLN 134 N 0.42 0.55 -0.97 1.46 4.15 -1.24 -0.68 115.11 118.81 1ilf h GLN 134 Ca 0.11 -0.03 0.20 0.00 0.77 0.00 0.00 58.65 59.70 1ilf h GLN 134 Cb 0.34 -0.12 -0.09 0.00 0.21 0.00 0.00 27.48 27.82 1ilf h GLN 134 CO 0.01 0.36 0.62 0.93 -1.93 0.00 0.00 178.83 178.81 1ilf h GLU 135 N 0.56 0.57 -0.32 1.69 4.39 -1.08 0.76 114.58 121.15 1ilf h GLU 135 Ca 0.16 -0.03 -0.17 0.00 0.34 0.00 0.00 59.36 59.66 1ilf h GLU 135 Cb -0.03 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 28.49 1ilf h GLU 135 CO -0.04 0.38 -0.47 -0.44 -1.16 0.00 0.00 179.01 177.28 1ilf h ASP 136 N 0.58 0.94 -0.04 1.42 3.32 -1.19 0.32 116.42 121.77 1ilf h ASP 136 Ca 0.54 -0.47 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 1ilf h ASP 136 Cb 1.08 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 40.36 1ilf h ASP 136 CO -0.29 1.25 0.00 0.00 -1.72 0.00 0.00 179.24 178.49 1ilf h ALA 137 N 0.78 0.06 -0.37 3.45 0.00 0.35 0.57 119.26 124.10 1ilf h ALA 137 Ca 0.04 -0.15 -0.16 0.00 0.00 0.00 0.00 54.91 54.64 1ilf h ALA 137 Cb 1.06 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1ilf h ALA 137 CO 0.11 -0.29 -0.39 -0.07 0.00 0.00 0.00 179.25 178.61 1ilf h LEU 138 N -0.20 0.98 -0.96 0.00 3.38 0.19 -2.82 115.31 115.87 1ilf h LEU 138 Ca 0.01 -0.47 -0.04 0.00 0.09 0.00 0.00 57.88 57.47 1ilf h LEU 138 Cb 0.30 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1ilf h LEU 138 CO 0.00 1.25 -0.18 0.00 0.09 0.00 0.00 178.44 179.60 1ilf h ALA 139 N 0.75 0.98 -3.28 1.53 0.00 -0.35 -3.39 119.26 115.51 1ilf h ALA 139 Ca 0.05 -0.17 -0.58 0.00 0.00 0.00 0.00 54.91 54.22 1ilf h ALA 139 Cb 0.99 -0.03 -0.40 0.00 0.00 0.00 0.00 17.79 18.35 1ilf h ALA 139 CO 0.10 0.23 -0.76 -0.65 0.00 0.00 0.00 179.25 178.17 1ilf s GLN 140 N -3.54 0.87 0.00 0.00 -1.52 0.20 -5.03 119.66 110.64 1ilf s GLN 140 Ca 0.02 -0.99 0.00 0.00 -1.95 0.00 0.00 55.36 52.44 1ilf s GLN 140 Cb 0.09 -2.17 0.00 0.00 -0.22 0.00 0.00 33.01 30.71 1ilf s GLN 140 CO 0.63 -0.87 0.48 1.04 -0.25 0.00 0.00 175.29 176.32