#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ilf n PRO 2 N 0.00 0.11 0.06 0.03 -0.02 -1.26 -4.94 135.00 128.97 1ilf n PRO 2 Ca 0.00 0.08 -0.18 0.00 -2.02 0.00 0.00 63.50 61.39 1ilf n PRO 2 Cb 0.00 -1.90 -0.14 0.00 -0.02 0.00 0.00 33.50 31.43 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 -0.80 0.27 -6.70 -0.52 3.08 -2.01 -3.46 114.38 104.23 1ilf h ARG 3 Ca -0.45 -0.45 -0.52 0.00 0.07 0.00 0.00 59.98 58.63 1ilf h ARG 3 Cb 1.32 0.17 0.03 0.00 0.08 0.00 0.00 29.97 31.57 1ilf h ARG 3 CO 0.40 1.13 0.58 0.14 -1.07 0.00 0.00 179.97 181.15 1ilf s VAL 4 N -2.61 3.41 0.10 2.04 -7.23 -1.26 -3.99 120.40 110.86 1ilf s VAL 4 Ca -0.10 1.21 -0.00 0.00 -1.81 0.00 0.00 61.98 61.28 1ilf s VAL 4 Cb 0.07 -3.78 -0.04 0.00 0.56 0.00 0.00 36.38 33.19 1ilf s VAL 4 CO 0.85 0.21 0.26 0.68 -0.31 0.00 0.00 175.10 176.79 1ilf s VAL 5 N -0.19 5.33 0.14 1.32 -7.23 -1.14 -4.99 120.40 113.64 1ilf s VAL 5 Ca 0.53 -0.37 -0.04 0.00 -1.81 0.00 0.00 61.98 60.28 1ilf s VAL 5 Cb -0.34 -3.65 0.23 0.00 0.56 0.00 0.00 36.38 33.17 1ilf s VAL 5 CO 0.39 0.07 0.79 -2.65 -0.31 0.00 0.00 175.10 173.38 1ilf n PRO 6 N 0.06 -0.05 -3.76 4.82 -0.02 -1.26 -2.06 135.00 132.74 1ilf n PRO 6 Ca -0.05 0.79 -0.29 0.00 -2.02 0.00 0.00 63.50 61.93 1ilf n PRO 6 Cb 0.52 -1.17 -0.13 0.00 -0.02 0.00 0.00 33.50 32.70 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 -5.13 3.76 0.18 2.55 1.01 -1.26 -4.96 116.67 112.83 1ilf s ASP 7 Ca -0.08 -3.07 -0.13 0.00 0.71 0.00 0.00 52.55 49.98 1ilf s ASP 7 Cb 0.13 -1.21 0.14 0.00 1.01 0.00 0.00 42.92 42.99 1ilf s ASP 7 CO 0.39 -0.20 1.79 0.06 0.21 0.00 0.00 175.17 177.42 1ilf h GLN 8 N 6.20 0.51 0.00 8.23 3.07 -1.73 0.12 115.11 131.51 1ilf h GLN 8 Ca 0.06 -0.03 -0.03 0.00 0.09 0.00 0.00 58.65 58.73 1ilf h GLN 8 Cb 0.87 -0.11 -0.00 0.00 0.08 0.00 0.00 27.48 28.31 1ilf h GLN 8 CO 0.56 0.34 -0.15 0.07 0.09 0.00 0.00 178.83 179.74 1ilf h ARG 9 N 0.52 0.00 -0.38 0.06 0.11 -1.92 -2.18 114.38 110.58 1ilf h ARG 9 Ca 0.23 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.29 1ilf h ARG 9 Cb 0.12 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.18 1ilf h ARG 9 CO -0.15 0.15 0.16 0.77 0.10 0.00 0.00 179.97 181.00 1ilf h SER 10 N 0.00 0.48 0.11 0.08 0.02 -1.16 0.55 113.55 113.63 1ilf h SER 10 Ca -0.00 -0.04 -0.24 0.00 -0.84 0.00 0.00 61.79 60.67 1ilf h SER 10 Cb 0.45 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.87 1ilf h SER 10 CO 0.02 0.44 -1.18 0.11 -1.14 0.00 0.00 176.83 175.08 1ilf h LYS 11 N 0.54 0.23 0.00 3.45 1.79 -1.24 0.16 116.57 121.50 1ilf h LYS 11 Ca 0.13 -0.39 -0.00 0.00 -2.18 0.00 0.00 60.65 58.21 1ilf h LYS 11 Cb 0.10 0.14 -0.00 0.00 -1.58 0.00 0.00 32.23 30.89 1ilf h LYS 11 CO -0.02 1.19 -0.02 0.35 -1.08 0.00 0.00 179.45 179.87 1ilf h PHE 12 N -0.40 0.00 0.00 -1.35 3.04 -1.29 0.47 116.94 117.40 1ilf h PHE 12 Ca -0.25 0.00 -0.37 0.00 3.98 0.00 0.00 57.97 61.33 1ilf h PHE 12 Cb 1.66 0.00 -0.07 0.00 2.56 0.00 0.00 35.95 40.10 1ilf h PHE 12 CO 0.15 0.02 -2.38 -1.91 -2.02 0.00 0.00 178.31 172.16 1ilf n GLU 13 N -3.15 0.71 -0.10 1.11 4.07 0.19 -4.24 120.64 119.22 1ilf n GLU 13 Ca -0.01 -0.01 -0.10 0.00 -0.06 0.00 0.00 57.16 56.99 1ilf n GLU 13 Cb 0.22 -1.52 -0.16 0.00 -0.06 0.00 0.00 31.44 29.92 1ilf n GLU 13 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 1ilf n ASN 14 N -2.76 0.03 -4.75 4.31 5.15 0.57 -4.88 115.26 112.94 1ilf n ASN 14 Ca -0.33 0.01 -0.41 0.00 -0.60 0.00 0.00 54.58 53.25 1ilf n ASN 14 Cb 1.15 0.98 -0.02 0.00 -0.53 0.00 0.00 39.78 41.36 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 -2.50 4.21 0.03 1.20 0.41 0.16 -4.89 118.70 117.31 1ilf s GLU 15 Ca -0.10 2.41 -0.28 0.00 -0.41 0.00 0.00 54.97 56.59 1ilf s GLU 15 Cb 0.06 -3.08 -0.17 0.00 -1.78 0.00 0.00 34.13 29.17 1ilf s GLU 15 CO 0.83 -0.50 1.31 1.05 -0.49 0.00 0.00 175.26 177.45 1ilf h GLU 16 N 5.00 -0.77 -0.54 1.61 9.09 -1.93 0.57 114.58 127.62 1ilf h GLU 16 Ca -0.46 0.05 -0.03 0.00 0.05 0.00 0.00 59.36 58.97 1ilf h GLU 16 Cb 1.22 0.17 -0.02 0.00 -1.65 0.00 0.00 28.75 28.47 1ilf h GLU 16 CO 0.79 -0.46 0.21 0.35 0.05 0.00 0.00 179.01 179.95 1ilf h PHE 17 N -1.01 0.83 0.00 2.06 3.04 -1.96 0.54 116.94 120.43 1ilf h PHE 17 Ca -0.08 -0.07 -0.01 0.00 3.98 0.00 0.00 57.97 61.79 1ilf h PHE 17 Cb 0.67 -0.25 -0.00 0.00 2.56 0.00 0.00 35.95 38.93 1ilf h PHE 17 CO -0.00 0.68 -0.04 0.35 -2.02 0.00 0.00 178.31 177.28 1ilf h PHE 18 N 0.73 0.00 0.00 0.41 3.04 -1.87 0.18 116.94 119.44 1ilf h PHE 18 Ca 0.18 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.13 1ilf h PHE 18 Cb 0.21 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.72 1ilf h PHE 18 CO 0.01 0.04 -0.14 0.00 -2.02 0.00 0.00 178.31 176.19 1ilf h ARG 19 N 0.00 0.00 -0.91 1.11 3.08 0.17 0.41 114.38 118.24 1ilf h ARG 19 Ca -0.00 0.00 0.26 0.00 0.07 0.00 0.00 59.98 60.31 1ilf h ARG 19 Cb 0.09 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.10 1ilf h ARG 19 CO 0.01 0.00 0.71 1.57 -1.07 0.00 0.00 179.97 181.18 1ilf h LYS 20 N -0.70 0.00 0.12 0.04 2.10 0.05 0.41 116.57 118.59 1ilf h LYS 20 Ca 0.00 0.00 -0.35 0.00 -2.00 0.00 0.00 60.65 58.30 1ilf h LYS 20 Cb 0.14 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.46 1ilf h LYS 20 CO 0.00 0.00 -1.91 -0.07 -2.00 0.00 0.00 179.45 175.47 1ilf h LEU 21 N 0.00 0.40 -1.32 7.07 3.38 -0.76 -3.32 115.31 120.76 1ilf h LEU 21 Ca 0.43 -0.83 0.00 0.00 0.09 0.00 0.00 57.88 57.58 1ilf h LEU 21 Cb 1.84 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.46 1ilf h LEU 21 CO -0.00 1.73 0.17 -1.28 0.09 0.00 0.00 178.44 179.15 1ilf h SER 22 N 0.07 0.00 -3.62 -0.43 0.87 0.42 -1.98 113.55 108.88 1ilf h SER 22 Ca -0.39 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.17 1ilf h SER 22 Cb 2.04 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 64.00 1ilf h SER 22 CO 0.11 0.00 0.00 0.54 -0.53 0.00 0.00 176.83 176.95 1ilf n ARG 23 N -2.27 1.19 -4.04 2.24 5.12 -0.48 -3.75 116.66 114.67 1ilf n ARG 23 Ca -0.01 0.00 -0.35 0.00 -1.93 0.00 0.00 57.85 55.56 1ilf n ARG 23 Cb 0.20 0.00 -0.13 0.00 -1.16 0.00 0.00 32.46 31.38 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 -1.43 3.60 -0.02 5.56 -1.05 -1.26 -2.02 118.70 122.07 1ilf s GLU 24 Ca 0.00 -0.53 -0.16 0.00 -0.15 0.00 0.00 54.97 54.14 1ilf s GLU 24 Cb 0.00 -3.09 0.03 0.00 -0.44 0.00 0.00 34.13 30.63 1ilf s GLU 24 CO 0.00 -0.02 0.33 0.00 0.95 0.00 0.00 175.26 176.53 1ilf n GLU 26 N 1.30 0.13 -4.19 0.00 0.00 -1.26 -1.50 120.64 115.12 1ilf n GLU 26 Ca -0.21 0.05 -0.11 0.00 0.00 0.00 0.00 57.16 56.88 1ilf n GLU 26 Cb 0.56 -1.11 -0.10 0.00 0.00 0.00 0.00 31.44 30.79 1ilf n GLU 26 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.13 178.09 1ilf s ILE 27 N -1.44 0.28 0.21 3.84 -4.36 -0.31 -1.55 121.20 117.87 1ilf s ILE 27 Ca 0.61 -1.94 -0.20 0.00 -0.26 0.00 0.00 60.65 58.86 1ilf s ILE 27 Cb -0.72 -2.15 0.04 0.00 1.25 0.00 0.00 42.46 40.88 1ilf s ILE 27 CO 0.60 -0.39 0.60 -1.59 0.24 0.00 0.00 174.94 174.40 1ilf s LYS 28 N -4.02 1.47 0.21 0.37 0.00 -0.81 -1.03 119.74 115.93 1ilf s LYS 28 Ca 0.27 -0.80 -0.27 0.00 0.00 0.00 0.00 55.97 55.17 1ilf s LYS 28 Cb 0.07 0.56 -0.08 0.00 0.00 0.00 0.00 37.83 38.38 1ilf s LYS 28 CO 0.04 -0.64 0.85 -0.47 0.00 0.00 0.00 175.35 175.12 1ilf s TYR 29 N -3.86 3.92 -0.05 1.78 5.04 -0.46 0.29 117.35 124.01 1ilf s TYR 29 Ca 0.08 1.74 0.02 0.00 -2.44 0.00 0.00 57.07 56.47 1ilf s TYR 29 Cb -0.02 -2.85 0.06 0.00 0.35 0.00 0.00 41.96 39.50 1ilf s TYR 29 CO -0.03 0.47 0.63 -2.37 -1.34 0.00 0.00 175.55 172.92 1ilf n THR 30 N 1.46 0.00 0.00 4.34 5.66 -1.26 -4.86 114.28 119.62 1ilf n THR 30 Ca -0.04 -0.15 0.00 0.00 -3.05 0.00 0.00 64.05 60.81 1ilf n THR 30 Cb 0.48 0.40 0.00 0.00 -1.55 0.00 0.00 70.33 69.66 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 -0.24 -0.20 0.93 1.09 0.00 -1.26 -4.80 105.19 100.70 1ilf n GLY 31 Ca -0.11 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.01 0.05 1.03 1.61 1.16 -1.26 -4.13 117.46 115.91 1ilf n PHE 32 Ca 0.00 -0.02 0.12 0.00 -1.87 0.00 0.00 57.45 55.68 1ilf n PHE 32 Cb 0.00 0.00 0.33 0.00 -1.61 0.00 0.00 39.48 38.20 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 1.24 0.07 0.00 3.97 0.00 -1.26 -4.18 116.66 116.51 1ilf n ARG 33 Ca 0.15 -0.04 0.00 0.00 -0.00 0.00 0.00 57.85 57.96 1ilf n ARG 33 Cb 0.58 -1.50 0.00 0.00 -0.00 0.00 0.00 32.46 31.54 1ilf n ARG 33 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 1ilf n ASP 34 N -1.43 0.00 0.05 2.89 -0.08 -1.26 -2.83 116.55 113.89 1ilf n ASP 34 Ca 0.06 0.27 0.00 0.00 -1.51 0.00 0.00 54.79 53.62 1ilf n ASP 34 Cb 0.33 -0.27 0.00 0.00 2.34 0.00 0.00 41.12 43.52 1ilf n ASP 34 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1ilf n ARG 35 N -1.27 0.00 -3.18 -0.67 3.00 -1.26 -4.93 116.66 108.35 1ilf n ARG 35 Ca 0.00 0.00 -0.39 0.00 -0.01 0.00 0.00 57.85 57.45 1ilf n ARG 35 Cb 0.22 -0.45 -0.02 0.00 0.00 0.00 0.00 32.46 32.22 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 -3.45 3.81 0.47 5.56 -0.04 -1.17 -4.89 135.00 135.28 1ilf n PRO 36 Ca 0.00 -4.57 -0.19 0.00 -0.04 0.00 0.00 63.50 58.70 1ilf n PRO 36 Cb 0.00 -2.45 -0.09 0.00 -0.04 0.00 0.00 33.50 30.92 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 5.29 -1.11 -1.01 0.54 2.76 -1.87 0.64 115.15 120.38 1ilf h HIS 37 Ca 0.20 -0.03 0.29 0.00 -2.20 0.00 0.00 60.37 58.63 1ilf h HIS 37 Cb 0.66 0.37 -0.04 0.00 1.55 0.00 0.00 27.41 29.95 1ilf h HIS 37 CO 0.90 -0.69 0.86 0.93 -1.30 0.00 0.00 177.93 178.63 1ilf h GLU 38 N -1.27 0.00 0.18 5.26 5.08 -1.91 1.27 114.58 123.19 1ilf h GLU 38 Ca -0.12 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 57.89 1ilf h GLU 38 Cb 0.93 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.18 1ilf h GLU 38 CO 0.20 0.00 -1.70 1.49 -1.00 0.00 0.00 179.01 178.00 1ilf h GLU 39 N 0.00 0.38 -1.04 2.33 4.81 -1.86 -3.25 114.58 115.95 1ilf h GLU 39 Ca 0.48 -0.65 0.30 0.00 -0.13 0.00 0.00 59.36 59.37 1ilf h GLU 39 Cb 2.19 0.24 -0.04 0.00 0.63 0.00 0.00 28.75 31.77 1ilf h GLU 39 CO -0.01 1.29 0.82 -0.09 -0.73 0.00 0.00 179.01 180.30 1ilf h ARG 40 N 0.10 0.00 -0.81 1.92 1.12 0.75 0.68 114.38 118.14 1ilf h ARG 40 Ca -0.32 0.00 0.17 0.00 -1.11 0.00 0.00 59.98 58.71 1ilf h ARG 40 Cb 2.09 0.00 -0.10 0.00 -0.01 0.00 0.00 29.97 31.95 1ilf h ARG 40 CO 0.18 0.00 0.34 -0.56 -3.11 0.00 0.00 179.97 176.82 1ilf h GLN 41 N 0.00 0.44 0.00 0.20 -0.00 -1.29 1.62 115.11 116.08 1ilf h GLN 41 Ca 0.49 -0.03 -0.25 0.00 -0.00 0.00 0.00 58.65 58.87 1ilf h GLN 41 Cb 2.13 -0.10 -0.04 0.00 -0.00 0.00 0.00 27.48 29.48 1ilf h GLN 41 CO -0.01 0.29 -1.36 1.15 -0.00 0.00 0.00 178.83 178.91 1ilf h THR 42 N 0.45 1.23 -0.36 1.86 2.02 0.08 -2.39 112.91 115.80 1ilf h THR 42 Ca 0.46 -3.00 -0.08 0.00 0.77 0.00 0.00 66.41 64.56 1ilf h THR 42 Cb 0.76 2.60 -0.02 0.00 -1.74 0.00 0.00 68.15 69.75 1ilf h THR 42 CO -0.44 0.70 -0.12 0.03 0.37 0.00 0.00 175.52 176.05 1ilf h ARG 43 N 0.00 0.63 0.04 6.66 2.47 0.62 0.66 114.38 125.47 1ilf h ARG 43 Ca -0.15 -0.20 -0.07 0.00 -1.26 0.00 0.00 59.98 58.30 1ilf h ARG 43 Cb 1.88 -0.06 0.01 0.00 -1.65 0.00 0.00 29.97 30.15 1ilf h ARG 43 CO 0.10 0.74 -0.32 0.35 0.56 0.00 0.00 179.97 181.40 1ilf h PHE 44 N 0.58 0.24 0.00 3.04 3.57 0.21 0.04 116.94 124.61 1ilf h PHE 44 Ca 0.10 -0.16 -0.02 0.00 3.53 0.00 0.00 57.97 61.42 1ilf h PHE 44 Cb 0.55 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.27 1ilf h PHE 44 CO 0.02 1.08 -0.10 1.96 -2.23 0.00 0.00 178.31 179.04 1ilf h GLN 45 N -0.68 0.00 0.00 1.11 4.20 -1.35 0.42 115.11 118.82 1ilf h GLN 45 Ca -0.05 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.47 1ilf h GLN 45 Cb 1.20 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.95 1ilf h GLN 45 CO 0.06 0.10 -1.17 -0.97 -0.67 0.00 0.00 178.83 176.18 1ilf h ASN 46 N 0.00 0.00 0.32 1.46 -1.24 0.31 -3.24 115.58 113.19 1ilf h ASN 46 Ca -0.00 0.00 -0.12 0.00 0.71 0.00 0.00 56.30 56.89 1ilf h ASN 46 Cb 0.23 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.27 1ilf h ASN 46 CO 0.01 0.72 -0.50 0.00 -1.29 0.00 0.00 177.43 176.37 1ilf h ALA 47 N 1.28 1.00 0.00 1.57 0.00 0.53 -1.30 119.26 122.34 1ilf h ALA 47 Ca -0.12 -0.47 -0.00 0.00 0.00 0.00 0.00 54.91 54.31 1ilf h ALA 47 Cb 1.66 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.36 1ilf h ALA 47 CO 0.07 0.66 -0.02 0.00 0.00 0.00 0.00 179.25 179.96 1ilf h ARG 49 N 0.00 0.00 -0.33 0.00 2.43 -1.30 -3.18 114.38 112.00 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 0.31 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 1ilf h ARG 49 CO 0.00 0.91 0.00 -0.25 -1.51 0.00 0.00 179.97 179.12 1ilf n ASP 50 N -3.32 2.56 -2.09 -3.80 8.00 -0.37 -4.24 116.55 113.29 1ilf n ASP 50 Ca -0.01 -1.89 -0.18 0.00 0.71 0.00 0.00 54.79 53.42 1ilf n ASP 50 Cb 0.92 -0.22 -0.01 0.00 -0.02 0.00 0.00 41.12 41.79 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 1.31 -0.37 3.21 0.44 0.00 -0.58 -4.92 105.19 104.29 1ilf n GLY 51 Ca 0.17 -0.11 -0.11 0.00 0.00 0.00 0.00 46.02 45.97 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 -4.90 0.34 0.00 1.61 0.52 -0.49 0.51 118.95 116.54 1ilf s ARG 52 Ca 0.00 0.77 -0.07 0.00 -0.52 0.00 0.00 55.73 55.91 1ilf s ARG 52 Cb 0.00 -0.00 0.00 0.00 0.52 0.00 0.00 34.95 35.47 1ilf s ARG 52 CO 0.00 -0.18 0.13 -1.54 0.02 0.00 0.00 175.30 173.73 1ilf s SER 53 N 1.57 0.04 -0.48 0.23 1.04 -1.00 -4.22 113.70 110.88 1ilf s SER 53 Ca -0.08 -0.21 -0.10 0.00 0.48 0.00 0.00 55.95 56.04 1ilf s SER 53 Cb -0.09 0.20 0.12 0.00 0.10 0.00 0.00 66.02 66.35 1ilf s SER 53 CO -0.12 -0.35 0.36 -0.70 0.98 0.00 0.00 173.24 173.41 1ilf s GLU 54 N -1.34 2.51 -0.06 4.02 2.12 -1.26 -2.05 118.70 122.64 1ilf s GLU 54 Ca -0.14 -1.76 0.02 0.00 0.36 0.00 0.00 54.97 53.44 1ilf s GLU 54 Cb -0.08 -3.96 -0.03 0.00 0.26 0.00 0.00 34.13 30.33 1ilf s GLU 54 CO 0.01 -1.21 -0.09 0.96 -0.54 0.00 0.00 175.26 174.40 1ilf s ILE 55 N 1.38 3.53 0.33 -3.70 -4.36 -0.53 -4.35 121.20 113.49 1ilf s ILE 55 Ca 0.06 -0.55 -0.08 0.00 -0.26 0.00 0.00 60.65 59.82 1ilf s ILE 55 Cb -0.27 -2.43 -0.06 0.00 1.25 0.00 0.00 42.46 40.96 1ilf s ILE 55 CO -0.00 0.60 0.64 0.00 0.24 0.00 0.00 174.94 176.41 1ilf s ALA 56 N -0.78 3.51 -0.18 2.27 0.00 0.14 -1.58 121.76 125.13 1ilf s ALA 56 Ca 0.12 -0.39 -0.02 0.00 0.00 0.00 0.00 51.96 51.67 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 0.01 0.17 -0.09 0.12 0.00 0.00 0.00 175.76 175.97 1ilf s PHE 57 N -2.17 2.89 -0.36 0.00 2.19 0.10 -1.92 117.98 118.72 1ilf s PHE 57 Ca 0.47 -0.93 0.26 0.00 0.33 0.00 0.00 56.93 57.07 1ilf s PHE 57 Cb -0.11 -1.99 0.69 0.00 -1.31 0.00 0.00 43.02 40.30 1ilf s PHE 57 CO 0.29 -0.46 1.73 0.28 1.83 0.00 0.00 175.22 178.89 1ilf h VAL 58 N 5.63 0.00 -0.52 3.12 2.07 -1.57 0.63 116.25 125.60 1ilf h VAL 58 Ca -0.37 -0.76 0.09 0.00 0.82 0.00 0.00 66.70 66.47 1ilf h VAL 58 Cb 1.17 1.75 -0.10 0.00 -1.52 0.00 0.00 31.29 32.59 1ilf h VAL 58 CO 0.59 0.00 -0.41 0.00 0.02 0.00 0.00 177.57 177.78 1ilf h ALA 59 N 2.10 -0.29 0.00 1.67 0.00 -1.86 -3.31 119.26 117.57 1ilf h ALA 59 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1ilf h ALA 59 Cb 0.81 0.89 0.00 0.00 0.00 0.00 0.00 17.79 19.49 1ilf h ALA 59 CO 0.00 -0.80 -0.31 -2.37 0.00 0.00 0.00 179.25 175.77 1ilf n THR 60 N -5.41 0.00 -2.62 0.00 5.66 -1.25 -5.04 114.28 105.61 1ilf n THR 60 Ca 0.02 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 60.93 1ilf n THR 60 Cb 0.35 0.68 0.04 0.00 -1.55 0.00 0.00 70.33 69.85 1ilf n THR 60 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1ilf n GLY 61 N 0.00 -0.51 3.20 1.09 0.00 0.16 -5.04 105.19 104.08 1ilf n GLY 61 Ca 0.00 0.28 -0.31 0.00 0.00 0.00 0.00 46.02 45.99 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 -3.22 1.93 0.28 2.61 -1.32 -0.89 -4.91 115.64 110.13 1ilf s THR 62 Ca 0.26 -0.95 -0.28 0.00 -1.21 0.00 0.00 61.69 59.50 1ilf s THR 62 Cb -0.03 -1.67 -0.09 0.00 -1.51 0.00 0.00 72.50 69.19 1ilf s THR 62 CO 0.48 0.53 0.95 0.21 -2.21 0.00 0.00 174.62 174.58 1ilf s ASN 63 N 0.34 7.49 -0.06 8.08 2.47 -1.26 -0.72 114.94 131.28 1ilf s ASN 63 Ca -0.17 1.91 -0.03 0.00 0.42 0.00 0.00 52.86 55.00 1ilf s ASN 63 Cb -0.17 -2.60 0.04 0.00 -1.45 0.00 0.00 41.25 37.07 1ilf s ASN 63 CO 0.08 0.05 0.11 -0.76 -3.72 0.00 0.00 177.10 172.86 1ilf s LEU 64 N -1.58 0.18 -0.48 3.21 1.43 -0.62 -4.95 118.68 115.87 1ilf s LEU 64 Ca 0.45 0.22 -0.13 0.00 -1.03 0.00 0.00 54.13 53.64 1ilf s LEU 64 Cb -0.23 0.11 0.10 0.00 0.03 0.00 0.00 46.19 46.20 1ilf s LEU 64 CO 0.29 -0.23 0.38 -0.44 0.23 0.00 0.00 176.35 176.58 1ilf s SER 65 N 2.03 5.95 0.02 2.29 0.01 -1.26 -1.45 113.70 121.29 1ilf s SER 65 Ca 0.01 -1.61 -0.00 0.00 1.31 0.00 0.00 55.95 55.66 1ilf s SER 65 Cb -0.12 -2.11 -0.04 0.00 0.21 0.00 0.00 66.02 63.96 1ilf s SER 65 CO -0.05 -0.69 0.12 -0.76 0.41 0.00 0.00 173.24 172.27 1ilf s LEU 66 N 1.52 4.04 -0.38 2.44 1.43 -0.87 -4.97 118.68 121.89 1ilf s LEU 66 Ca 0.04 0.17 -0.04 0.00 -1.03 0.00 0.00 54.13 53.27 1ilf s LEU 66 Cb -0.26 -2.49 0.08 0.00 0.03 0.00 0.00 46.19 43.56 1ilf s LEU 66 CO 0.03 0.23 0.15 -1.10 0.23 0.00 0.00 176.35 175.90 1ilf s GLN 67 N -2.03 2.29 -0.17 1.70 -0.21 -1.26 -2.36 119.66 117.62 1ilf s GLN 67 Ca 0.27 -1.55 -0.01 0.00 0.02 0.00 0.00 55.36 54.09 1ilf s GLN 67 Cb -0.12 -3.51 -0.01 0.00 1.00 0.00 0.00 33.01 30.37 1ilf s GLN 67 CO 0.19 -0.89 -0.11 -0.59 -2.12 0.00 0.00 175.29 171.77 1ilf s PHE 68 N 1.25 2.86 0.04 0.91 -0.12 0.18 -3.93 117.98 119.17 1ilf s PHE 68 Ca 0.03 -0.87 -0.26 0.00 -0.05 0.00 0.00 56.93 55.77 1ilf s PHE 68 Cb -0.22 -1.95 0.06 0.00 -0.63 0.00 0.00 43.02 40.28 1ilf s PHE 68 CO -0.01 -0.41 0.60 -0.06 -0.05 0.00 0.00 175.22 175.29 1ilf s PHE 69 N 0.89 -0.55 -0.29 3.49 0.08 -1.26 -4.08 117.98 116.26 1ilf s PHE 69 Ca -0.03 0.70 -0.30 0.00 0.12 0.00 0.00 56.93 57.43 1ilf s PHE 69 Cb -0.15 0.42 -0.07 0.00 -0.57 0.00 0.00 43.02 42.65 1ilf s PHE 69 CO -0.00 -0.68 2.25 -2.30 -0.10 0.00 0.00 175.22 174.39 1ilf n PRO 70 N 0.43 1.63 0.24 0.24 -0.02 -1.26 -4.77 135.00 131.49 1ilf n PRO 70 Ca -0.18 0.41 0.18 0.00 -2.02 0.00 0.00 63.50 61.89 1ilf n PRO 70 Cb 0.60 -3.06 0.82 0.00 -0.02 0.00 0.00 33.50 31.84 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 14.92 1.62 -0.18 3.55 0.00 -1.98 0.44 119.26 137.62 1ilf h ALA 71 Ca -0.36 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1ilf h ALA 71 Cb 1.26 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1ilf h ALA 71 CO 1.00 -0.41 0.00 0.45 0.00 0.00 0.00 179.25 180.29 1ilf n SER 72 N -3.27 1.16 -4.66 0.00 2.88 -1.26 -4.83 113.62 103.64 1ilf n SER 72 Ca 0.01 -1.86 -0.35 0.00 -1.33 0.00 0.00 58.87 55.35 1ilf n SER 72 Cb 0.43 -0.12 -0.10 0.00 -0.75 0.00 0.00 64.21 63.67 1ilf n SER 72 CO 0.00 0.00 0.00 0.26 -1.23 0.00 0.00 175.04 174.07 1ilf s TRP 73 N -1.76 3.17 -0.09 0.66 0.52 0.15 -5.03 118.94 116.56 1ilf s TRP 73 Ca 0.21 0.13 -0.15 0.00 0.02 0.00 0.00 56.10 56.31 1ilf s TRP 73 Cb 0.11 -1.85 -0.12 0.00 -1.15 0.00 0.00 33.47 30.46 1ilf s TRP 73 CO 0.15 0.38 0.50 1.96 0.02 0.00 0.00 176.95 179.96 1ilf h GLN 74 N 5.51 -0.10 0.00 4.98 1.08 -1.88 -3.47 115.11 121.23 1ilf h GLN 74 Ca -0.47 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 56.74 1ilf h GLN 74 Cb 1.19 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.64 1ilf h GLN 74 CO 0.57 0.30 0.00 0.41 -0.95 0.00 0.00 178.83 179.16 1ilf n GLY 75 N 1.30 -2.02 2.66 3.46 0.00 -1.26 -5.06 105.19 104.27 1ilf n GLY 75 Ca -0.05 0.96 -0.41 0.00 0.00 0.00 0.00 46.02 46.52 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 5.23 -0.27 1.61 1.02 -1.26 -4.77 120.64 122.20 1ilf n GLU 76 Ca 0.00 -4.57 0.11 0.00 -0.02 0.00 0.00 57.16 52.68 1ilf n GLU 76 Cb 0.00 -2.45 0.36 0.00 -0.02 0.00 0.00 31.44 29.32 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 4.11 0.72 -0.29 3.49 3.07 -1.99 -1.79 115.11 122.43 1ilf h GLN 77 Ca 0.54 -0.04 0.06 0.00 0.09 0.00 0.00 58.65 59.30 1ilf h GLN 77 Cb 0.29 -0.16 -0.06 0.00 0.08 0.00 0.00 27.48 27.63 1ilf h GLN 77 CO 1.20 0.48 -0.10 0.00 0.09 0.00 0.00 178.83 180.50 1ilf h ARG 78 N 0.74 -0.05 -7.10 0.06 2.47 -2.02 -3.42 114.38 105.06 1ilf h ARG 78 Ca 0.44 0.00 -0.50 0.00 -1.26 0.00 0.00 59.98 58.66 1ilf h ARG 78 Cb 0.63 0.01 0.05 0.00 -1.65 0.00 0.00 29.97 29.00 1ilf h ARG 78 CO -0.20 -0.03 0.22 -0.65 0.56 0.00 0.00 179.97 179.88 1ilf s GLN 79 N -6.19 3.48 0.32 0.04 -1.52 -0.67 -5.06 119.66 110.05 1ilf s GLN 79 Ca -0.14 0.36 -0.20 0.00 -1.95 0.00 0.00 55.36 53.43 1ilf s GLN 79 Cb 0.12 -2.26 -0.10 0.00 -0.22 0.00 0.00 33.01 30.56 1ilf s GLN 79 CO 0.69 -0.40 0.84 -0.08 -0.25 0.00 0.00 175.29 176.09 1ilf s THR 80 N -2.92 4.47 0.93 -0.19 -1.32 -1.26 -4.91 115.64 110.43 1ilf s THR 80 Ca 0.51 1.37 -0.17 0.00 -1.21 0.00 0.00 61.69 62.20 1ilf s THR 80 Cb -0.11 -3.76 0.00 0.00 -1.51 0.00 0.00 72.50 67.12 1ilf s THR 80 CO 0.48 -0.04 -0.42 -0.81 -2.21 0.00 0.00 174.62 171.61 1ilf n PRO 81 N 0.05 -0.95 -4.20 7.08 -0.04 -1.26 -5.02 135.00 130.67 1ilf n PRO 81 Ca 0.03 -0.28 -0.24 0.00 -0.04 0.00 0.00 63.50 62.98 1ilf n PRO 81 Cb 0.52 -1.27 -0.07 0.00 -0.04 0.00 0.00 33.50 32.64 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 -1.43 4.51 0.00 3.54 0.15 -1.26 -5.00 113.70 114.20 1ilf s SER 82 Ca 0.33 -0.83 0.21 0.00 0.70 0.00 0.00 55.95 56.36 1ilf s SER 82 Cb -0.00 -0.68 1.23 0.00 -1.71 0.00 0.00 66.02 64.86 1ilf s SER 82 CO 0.44 -0.25 1.63 0.54 1.20 0.00 0.00 173.24 176.81 1ilf n ARG 83 N -1.06 0.71 0.00 5.44 5.12 -1.11 -1.58 116.66 124.17 1ilf n ARG 83 Ca -0.04 0.00 -0.12 0.00 -1.93 0.00 0.00 57.85 55.76 1ilf n ARG 83 Cb 0.61 -1.45 -0.07 0.00 -1.16 0.00 0.00 32.46 30.39 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 0.08 0.00 5.56 5.08 -1.98 -3.37 114.58 119.96 1ilf h GLU 84 Ca 0.00 -0.01 -0.14 0.00 -1.00 0.00 0.00 59.36 58.21 1ilf h GLU 84 Cb 0.00 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 1ilf h GLU 84 CO 0.00 0.20 -1.52 0.66 -1.00 0.00 0.00 179.01 177.36 1ilf n TYR 85 N -4.97 0.00 -3.84 4.33 4.02 -1.21 -4.72 117.16 110.76 1ilf n TYR 85 Ca -0.06 0.00 -0.29 0.00 -0.01 0.00 0.00 57.90 57.53 1ilf n TYR 85 Cb 0.10 -0.37 -0.16 0.00 -0.02 0.00 0.00 39.34 38.90 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 -2.18 1.10 0.05 -0.72 -7.23 -0.62 0.71 120.40 111.52 1ilf s VAL 86 Ca -0.06 -1.04 -0.01 0.00 -1.81 0.00 0.00 61.98 59.06 1ilf s VAL 86 Cb 0.02 -1.53 -0.04 0.00 0.56 0.00 0.00 36.38 35.39 1ilf s VAL 86 CO 0.28 -0.24 0.22 -0.62 -0.31 0.00 0.00 175.10 174.44 1ilf s ASP 87 N 1.58 6.38 0.00 4.85 -1.08 -1.18 -2.76 116.67 124.45 1ilf s ASP 87 Ca -0.01 0.33 0.09 0.00 -0.52 0.00 0.00 52.55 52.43 1ilf s ASP 87 Cb -0.18 -1.99 0.14 0.00 -1.46 0.00 0.00 42.92 39.44 1ilf s ASP 87 CO -0.09 0.18 0.97 0.18 0.52 0.00 0.00 175.17 176.93 1ilf n LEU 88 N 0.43 0.16 -5.02 -1.34 4.32 -1.26 -4.47 117.00 109.82 1ilf n LEU 88 Ca -0.06 -1.50 -0.18 0.00 -0.02 0.00 0.00 56.01 54.25 1ilf n LEU 88 Cb 0.51 0.00 0.03 0.00 -1.62 0.00 0.00 43.42 42.34 1ilf n LEU 88 CO 0.50 0.67 0.22 -0.70 -1.22 0.00 0.00 177.39 176.86 1ilf s GLU 89 N 0.00 2.66 -1.05 3.23 2.12 -1.26 -4.97 118.70 119.42 1ilf s GLU 89 Ca 0.11 -1.35 -0.06 0.00 0.36 0.00 0.00 54.97 54.03 1ilf s GLU 89 Cb 0.13 -2.72 -0.06 0.00 0.26 0.00 0.00 34.13 31.74 1ilf s GLU 89 CO -0.06 -0.46 2.27 2.89 -0.54 0.00 0.00 175.26 179.36 1ilf n ARG 90 N -1.99 2.40 0.08 4.30 -4.01 -1.26 -4.32 116.66 111.86 1ilf n ARG 90 Ca 0.10 -1.60 0.12 0.00 -1.04 0.00 0.00 57.85 55.43 1ilf n ARG 90 Cb 0.60 -2.52 0.09 0.00 -3.04 0.00 0.00 32.46 27.59 1ilf n ARG 90 CO 0.00 0.00 0.00 0.93 -3.04 0.00 0.00 177.63 175.52 1ilf h GLU 91 N 6.06 0.00 0.00 2.89 4.39 -1.93 -3.49 114.58 122.50 1ilf h GLU 91 Ca 0.57 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.27 1ilf h GLU 91 Cb 0.18 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.83 1ilf h GLU 91 CO 1.51 0.00 0.00 0.00 -1.16 0.00 0.00 179.01 179.36 1ilf n ALA 92 N -1.97 0.00 1.31 3.43 0.00 -1.26 -4.98 120.51 117.03 1ilf n ALA 92 Ca 0.02 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.57 1ilf n ALA 92 Cb 0.48 0.00 0.65 0.00 0.00 0.00 0.00 19.45 20.58 1ilf n ALA 92 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ilf n GLY 93 N -0.01 -0.88 3.35 0.00 0.00 -1.26 -4.80 105.19 101.59 1ilf n GLY 93 Ca 0.00 -0.13 -0.21 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.26 1.75 -0.09 1.61 3.01 -1.26 -4.35 119.74 118.15 1ilf s LYS 94 Ca 0.29 -2.03 0.04 0.00 -1.01 0.00 0.00 55.97 53.27 1ilf s LYS 94 Cb 0.16 0.01 -0.01 0.00 -1.01 0.00 0.00 37.83 36.98 1ilf s LYS 94 CO 0.31 -0.56 -0.22 0.54 0.51 0.00 0.00 175.35 175.93 1ilf s VAL 95 N -3.45 2.31 0.07 3.17 0.11 -0.83 -4.79 120.40 117.00 1ilf s VAL 95 Ca 0.35 -0.95 0.09 0.00 -2.93 0.00 0.00 61.98 58.54 1ilf s VAL 95 Cb 0.03 -1.89 -0.03 0.00 -1.53 0.00 0.00 36.38 32.96 1ilf s VAL 95 CO 0.22 0.56 -0.25 -0.72 -3.33 0.00 0.00 175.10 171.58 1ilf s TYR 96 N 0.07 2.19 0.15 1.54 -0.85 -1.26 -1.46 117.35 117.73 1ilf s TYR 96 Ca -0.09 -0.40 -0.02 0.00 -0.52 0.00 0.00 57.07 56.04 1ilf s TYR 96 Cb -0.15 -1.27 -0.04 0.00 0.38 0.00 0.00 41.96 40.88 1ilf s TYR 96 CO 0.06 0.18 0.09 -0.48 -1.52 0.00 0.00 175.55 173.88 1ilf s LEU 97 N -1.48 1.56 -0.09 -3.49 0.05 -0.72 -3.10 118.68 111.40 1ilf s LEU 97 Ca 0.11 -1.23 0.01 0.00 0.05 0.00 0.00 54.13 53.07 1ilf s LEU 97 Cb -0.10 0.39 0.02 0.00 -2.05 0.00 0.00 46.19 44.45 1ilf s LEU 97 CO 0.03 -0.77 -0.10 -0.75 -0.55 0.00 0.00 176.35 174.21 1ilf s LYS 98 N -4.07 1.62 -0.07 1.48 2.20 0.22 -2.26 119.74 118.87 1ilf s LYS 98 Ca 0.27 -0.33 0.04 0.00 -0.36 0.00 0.00 55.97 55.59 1ilf s LYS 98 Cb 0.07 -1.51 -0.00 0.00 -1.51 0.00 0.00 37.83 34.88 1ilf s LYS 98 CO 0.04 -0.13 -0.20 0.00 -0.36 0.00 0.00 175.35 174.70 1ilf s ALA 99 N 1.21 1.85 -0.30 3.13 0.00 0.19 -4.40 121.76 123.43 1ilf s ALA 99 Ca -0.04 -0.82 -0.19 0.00 0.00 0.00 0.00 51.96 50.90 1ilf s ALA 99 Cb -0.14 -0.66 -0.01 0.00 0.00 0.00 0.00 23.12 22.31 1ilf s ALA 99 CO -0.03 0.29 0.58 -1.25 0.00 0.00 0.00 175.76 175.35 1ilf s PRO 100 N 0.19 3.89 0.33 0.00 0.04 -1.25 -0.26 135.00 137.94 1ilf s PRO 100 Ca -0.11 0.21 0.03 0.00 0.04 0.00 0.00 61.00 61.18 1ilf s PRO 100 Cb -0.15 -3.72 -0.05 0.00 0.04 0.00 0.00 34.50 30.62 1ilf s PRO 100 CO 0.05 -0.53 0.09 -1.64 0.04 0.00 0.00 177.00 175.01 1ilf s MET 101 N 2.49 1.68 -0.38 4.56 -1.94 -0.24 -4.83 119.30 120.64 1ilf s MET 101 Ca 0.23 -1.95 -0.06 0.00 -1.71 0.00 0.00 55.69 52.19 1ilf s MET 101 Cb -0.15 -0.67 0.07 0.00 2.01 0.00 0.00 34.83 36.09 1ilf s MET 101 CO 0.11 -0.29 0.17 0.42 -0.01 0.00 0.00 175.02 175.43 1ilf s ILE 102 N -3.37 3.74 0.08 2.53 -1.09 -1.26 -0.97 121.20 120.85 1ilf s ILE 102 Ca 0.33 -1.48 0.02 0.00 -2.23 0.00 0.00 60.65 57.29 1ilf s ILE 102 Cb 0.07 -3.29 -0.04 0.00 -1.58 0.00 0.00 42.46 37.62 1ilf s ILE 102 CO 0.15 -0.41 0.16 -0.76 -1.23 0.00 0.00 174.94 172.85 1ilf s LEU 103 N 1.33 4.12 0.00 2.97 1.43 -0.30 -4.84 118.68 123.40 1ilf s LEU 103 Ca 0.02 0.14 0.00 0.00 -1.03 0.00 0.00 54.13 53.26 1ilf s LEU 103 Cb -0.22 -2.75 0.00 0.00 0.03 0.00 0.00 46.19 43.25 1ilf s LEU 103 CO 0.00 0.16 0.00 -3.20 0.23 0.00 0.00 176.35 173.54 1ilf n ASN 104 N 0.26 0.00 -4.30 2.29 2.85 -1.26 0.13 115.26 115.23 1ilf n ASN 104 Ca -0.07 0.00 -0.31 0.00 -0.11 0.00 0.00 54.58 54.09 1ilf n ASN 104 Cb 0.52 0.00 -0.09 0.00 1.24 0.00 0.00 39.78 41.44 1ilf n ASN 104 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1ilf n GLY 105 N 0.03 -0.14 3.50 8.20 0.00 -1.26 -4.90 105.19 110.62 1ilf n GLY 105 Ca 0.00 0.17 -0.14 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 -4.30 0.00 -0.20 1.61 1.01 0.36 -2.87 120.40 116.01 1ilf s VAL 106 Ca 0.04 0.00 -0.23 0.00 0.00 0.00 0.00 61.98 61.80 1ilf s VAL 106 Cb -0.03 -1.00 -0.02 0.00 0.00 0.00 0.00 36.38 35.34 1ilf s VAL 106 CO 0.99 0.00 0.73 0.00 0.00 0.00 0.00 175.10 176.82 1ilf s VAL 108 N 2.20 0.90 -0.00 0.00 -7.23 -0.15 -1.42 120.40 114.70 1ilf s VAL 108 Ca 0.33 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.48 1ilf s VAL 108 Cb -0.16 -2.68 -0.00 0.00 0.56 0.00 0.00 36.38 34.10 1ilf s VAL 108 CO 0.10 0.00 0.04 -0.63 -0.31 0.00 0.00 175.10 174.30 1ilf s ILE 109 N -3.42 0.05 -0.16 -0.62 1.01 0.19 -1.08 121.20 117.17 1ilf s ILE 109 Ca 0.35 -0.42 0.01 0.00 0.00 0.00 0.00 60.65 60.59 1ilf s ILE 109 Cb 0.07 -0.20 0.01 0.00 0.01 0.00 0.00 42.46 42.36 1ilf s ILE 109 CO 0.15 -0.23 -0.20 0.86 0.00 0.00 0.00 174.94 175.52 1ilf s TRP 110 N -0.70 2.74 -0.04 3.97 -0.00 0.63 0.30 118.94 125.84 1ilf s TRP 110 Ca -0.08 -1.46 0.05 0.00 -0.00 0.00 0.00 56.10 54.61 1ilf s TRP 110 Cb -0.05 -1.88 -0.00 0.00 -0.00 0.00 0.00 33.47 31.54 1ilf s TRP 110 CO -0.00 -0.70 -0.18 0.15 -0.00 0.00 0.00 176.95 176.22 1ilf s LYS 111 N 1.07 1.81 0.00 5.86 1.02 0.55 -0.64 119.74 129.41 1ilf s LYS 111 Ca -0.01 -0.64 0.00 0.00 0.02 0.00 0.00 55.97 55.35 1ilf s LYS 111 Cb -0.14 -1.59 0.00 0.00 -0.52 0.00 0.00 37.83 35.58 1ilf s LYS 111 CO -0.07 0.27 0.00 0.41 -0.92 0.00 0.00 175.35 175.04 1ilf n GLY 112 N 3.07 0.61 3.30 -3.33 0.00 -0.96 -0.01 105.19 107.87 1ilf n GLY 112 Ca -0.18 -0.71 -0.21 0.00 0.00 0.00 0.00 46.02 44.93 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 1.68 0.10 1.61 1.48 -0.84 -1.76 118.94 119.20 1ilf s TRP 113 Ca 0.00 -0.49 0.06 0.00 -1.06 0.00 0.00 56.10 54.60 1ilf s TRP 113 Cb 0.00 -0.86 -0.03 0.00 -1.16 0.00 0.00 33.47 31.42 1ilf s TRP 113 CO 0.00 0.26 -0.14 0.96 -4.06 0.00 0.00 176.95 173.96 1ilf s ILE 114 N -1.98 1.25 0.14 0.66 -0.00 -0.53 -1.82 121.20 118.91 1ilf s ILE 114 Ca 0.12 -1.58 -0.24 0.00 -0.00 0.00 0.00 60.65 58.95 1ilf s ILE 114 Cb -0.06 -1.38 -0.07 0.00 -0.00 0.00 0.00 42.46 40.95 1ilf s ILE 114 CO 0.05 -0.35 0.74 1.51 -0.00 0.00 0.00 174.94 176.89 1ilf s ASP 115 N -2.21 7.31 0.00 4.36 1.47 -0.67 -1.96 116.67 124.98 1ilf s ASP 115 Ca 0.05 1.56 0.00 0.00 1.18 0.00 0.00 52.55 55.34 1ilf s ASP 115 Cb -0.07 -2.47 0.00 0.00 -0.34 0.00 0.00 42.92 40.04 1ilf s ASP 115 CO 0.03 0.20 0.49 0.18 0.68 0.00 0.00 175.17 176.74 1ilf n LEU 116 N 1.77 0.22 0.02 2.11 4.77 -1.26 -0.75 117.00 123.87 1ilf n LEU 116 Ca -0.06 -0.11 -0.00 0.00 -0.03 0.00 0.00 56.01 55.81 1ilf n LEU 116 Cb 0.49 -0.11 -0.00 0.00 -2.33 0.00 0.00 43.42 41.47 1ilf n LEU 116 CO 0.45 0.05 -0.01 1.41 -1.33 0.00 0.00 177.39 177.97 1ilf n HIS 117 N -0.24 0.00 0.40 -1.77 8.25 -1.26 -4.83 115.22 115.77 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 0.05 -0.01 0.09 0.00 1.12 0.00 0.00 29.99 31.24 1ilf n HIS 117 CO 0.00 0.00 0.00 0.07 0.64 0.00 0.00 176.34 177.05 1ilf h ARG 118 N -0.02 0.00 -4.39 -0.41 -0.00 -2.00 -3.48 114.38 104.08 1ilf h ARG 118 Ca 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 59.98 59.75 1ilf h ARG 118 Cb 0.02 0.00 0.11 0.00 -0.00 0.00 0.00 29.97 30.10 1ilf h ARG 118 CO 0.00 0.00 -0.50 1.28 -0.00 0.00 0.00 179.97 180.75 1ilf n LEU 119 N -2.30 -3.25 -4.07 0.08 4.77 0.07 -4.71 117.00 107.59 1ilf n LEU 119 Ca 0.02 -0.40 -0.21 0.00 -0.03 0.00 0.00 56.01 55.39 1ilf n LEU 119 Cb 0.48 -2.24 -0.15 0.00 -2.33 0.00 0.00 43.42 39.18 1ilf n LEU 119 CO 0.38 0.31 -0.46 -0.62 -1.33 0.00 0.00 177.39 175.67 1ilf s ASP 120 N -3.72 1.40 0.00 -1.43 -1.08 -1.26 -1.36 116.67 109.23 1ilf s ASP 120 Ca 0.11 -0.22 0.00 0.00 -0.52 0.00 0.00 52.55 51.92 1ilf s ASP 120 Cb -0.05 -0.16 0.00 0.00 -1.46 0.00 0.00 42.92 41.25 1ilf s ASP 120 CO 0.49 0.15 0.00 0.61 0.52 0.00 0.00 175.17 176.93 1ilf n GLY 121 N 2.80 2.54 2.88 2.66 0.00 -0.20 -1.67 105.19 114.20 1ilf n GLY 121 Ca -0.14 0.07 -0.15 0.00 0.00 0.00 0.00 46.02 45.80 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 4.20 0.06 0.54 1.61 1.00 -0.76 -1.16 119.30 124.79 1ilf s MET 122 Ca 0.00 0.45 0.06 0.00 0.00 0.00 0.00 55.69 56.20 1ilf s MET 122 Cb 0.00 -0.23 0.04 0.00 0.00 0.00 0.00 34.83 34.64 1ilf s MET 122 CO 0.00 -0.23 0.42 0.20 0.00 0.00 0.00 175.02 175.41 1ilf s GLY 123 N 1.67 2.34 -0.28 -0.03 0.00 -0.56 -1.99 107.32 108.46 1ilf s GLY 123 Ca -0.04 -1.32 -0.25 0.00 0.00 0.00 0.00 44.72 43.11 1ilf s GLY 123 CO -0.06 -1.92 1.25 0.00 0.00 0.00 0.00 173.10 172.37 1ilf s LEU 125 N -0.00 4.28 0.07 0.00 1.43 -0.74 -0.33 118.68 123.38 1ilf s LEU 125 Ca 0.05 0.04 -0.14 0.00 -1.03 0.00 0.00 54.13 53.06 1ilf s LEU 125 Cb -0.05 -2.85 0.02 0.00 0.03 0.00 0.00 46.19 43.35 1ilf s LEU 125 CO -0.11 -0.11 0.31 -0.70 0.23 0.00 0.00 176.35 175.97 1ilf s GLU 126 N -4.00 0.89 -0.07 1.70 2.56 0.15 -4.17 118.70 115.75 1ilf s GLU 126 Ca 0.35 -0.64 -0.00 0.00 0.00 0.00 0.00 54.97 54.68 1ilf s GLU 126 Cb -0.09 0.38 -0.03 0.00 2.00 0.00 0.00 34.13 36.39 1ilf s GLU 126 CO 0.29 -0.30 -0.03 0.12 -0.56 0.00 0.00 175.26 174.78 1ilf s PHE 127 N -3.12 3.05 -0.54 5.30 2.19 -1.26 0.55 117.98 124.15 1ilf s PHE 127 Ca -0.01 0.10 -0.22 0.00 0.33 0.00 0.00 56.93 57.13 1ilf s PHE 127 Cb 0.01 -1.74 0.05 0.00 -1.31 0.00 0.00 43.02 40.03 1ilf s PHE 127 CO -0.07 0.41 0.83 0.34 1.83 0.00 0.00 175.22 178.55 1ilf s ASP 128 N -0.93 6.29 0.33 6.13 -1.08 -0.51 -4.88 116.67 122.02 1ilf s ASP 128 Ca 0.14 -0.61 0.18 0.00 -0.52 0.00 0.00 52.55 51.74 1ilf s ASP 128 Cb -0.11 -2.38 0.26 0.00 -1.46 0.00 0.00 42.92 39.23 1ilf s ASP 128 CO 0.03 -1.12 1.54 -0.33 0.52 0.00 0.00 175.17 175.81 1ilf h GLU 129 N 9.21 0.00 0.49 4.34 5.08 -1.97 -2.00 114.58 129.73 1ilf h GLU 129 Ca -0.27 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.07 1ilf h GLU 129 Cb 1.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.34 1ilf h GLU 129 CO 1.05 0.38 -0.23 0.93 -1.00 0.00 0.00 179.01 180.14 1ilf h GLU 130 N 0.00 -0.63 -0.31 2.33 5.08 -1.99 -3.02 114.58 116.05 1ilf h GLU 130 Ca -0.00 0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.32 1ilf h GLU 130 Cb 1.21 0.14 -0.02 0.00 0.50 0.00 0.00 28.75 30.59 1ilf h GLU 130 CO 0.05 -0.42 -0.13 -0.09 -1.00 0.00 0.00 179.01 177.42 1ilf h ARG 131 N -1.07 0.54 -0.04 2.33 9.65 -1.98 -2.28 114.38 121.52 1ilf h ARG 131 Ca -0.07 -0.16 0.01 0.00 -1.10 0.00 0.00 59.98 58.66 1ilf h ARG 131 Cb 0.50 -0.05 -0.00 0.00 -1.39 0.00 0.00 29.97 29.02 1ilf h ARG 131 CO 0.11 0.66 0.14 0.00 2.80 0.00 0.00 179.97 183.67 1ilf h ALA 132 N 1.37 1.30 0.00 2.80 0.00 -1.42 0.13 119.26 123.43 1ilf h ALA 132 Ca 0.09 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.86 1ilf h ALA 132 Cb 0.52 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1ilf h ALA 132 CO 0.03 -0.16 -1.14 1.96 0.00 0.00 0.00 179.25 179.95 1ilf h GLN 133 N 0.00 0.00 -0.07 0.00 4.20 -1.27 -3.35 115.11 114.63 1ilf h GLN 133 Ca 0.02 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.51 1ilf h GLN 133 Cb 0.29 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.08 1ilf h GLN 133 CO -0.00 0.33 -0.86 1.96 -0.67 0.00 0.00 178.83 179.60 1ilf h GLN 134 N 0.00 0.59 -0.96 1.46 1.08 -0.76 -2.89 115.11 113.63 1ilf h GLN 134 Ca -0.11 -0.54 0.21 0.00 -1.45 0.00 0.00 58.65 56.76 1ilf h GLN 134 Cb 1.50 0.13 -0.08 0.00 -0.05 0.00 0.00 27.48 28.98 1ilf h GLN 134 CO 0.05 1.17 0.62 1.05 -0.95 0.00 0.00 178.83 180.76 1ilf h GLU 135 N 0.38 0.50 -0.25 1.46 -0.00 -1.56 0.82 114.58 115.93 1ilf h GLU 135 Ca -0.07 -0.03 -0.16 0.00 -0.00 0.00 0.00 59.36 59.10 1ilf h GLU 135 Cb 1.48 -0.11 -0.01 0.00 -0.00 0.00 0.00 28.75 30.11 1ilf h GLU 135 CO 0.16 0.33 -0.49 -0.44 -0.00 0.00 0.00 179.01 178.57 1ilf h ASP 136 N 0.52 0.74 -0.00 3.06 3.32 -1.69 0.34 116.42 122.70 1ilf h ASP 136 Ca 0.52 -0.37 -0.00 0.00 0.02 0.00 0.00 57.03 57.21 1ilf h ASP 136 Cb 1.15 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 40.49 1ilf h ASP 136 CO -0.26 1.10 0.00 0.00 -1.72 0.00 0.00 179.24 178.37 1ilf h ALA 137 N 0.92 0.00 -0.28 3.45 0.00 0.65 0.41 119.26 124.42 1ilf h ALA 137 Ca 0.03 -0.15 -0.18 0.00 0.00 0.00 0.00 54.91 54.61 1ilf h ALA 137 Cb 1.04 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1ilf h ALA 137 CO 0.10 -0.35 -0.53 -0.07 0.00 0.00 0.00 179.25 178.40 1ilf h LEU 138 N -0.29 0.96 -1.19 0.00 3.38 -0.42 -2.88 115.31 114.87 1ilf h LEU 138 Ca 0.00 -0.53 -0.03 0.00 0.09 0.00 0.00 57.88 57.41 1ilf h LEU 138 Cb 0.29 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 1ilf h LEU 138 CO 0.00 1.31 -0.13 0.00 0.09 0.00 0.00 178.44 179.71 1ilf h ALA 139 N 0.67 1.01 -3.27 1.53 0.00 -0.32 -3.39 119.26 115.50 1ilf h ALA 139 Ca 0.01 -0.12 -0.58 0.00 0.00 0.00 0.00 54.91 54.23 1ilf h ALA 139 Cb 1.14 -0.02 -0.40 0.00 0.00 0.00 0.00 17.79 18.51 1ilf h ALA 139 CO 0.12 0.16 -0.76 -0.65 0.00 0.00 0.00 179.25 178.12 1ilf s GLN 140 N -3.64 0.86 0.00 0.00 -0.21 0.15 -5.02 119.66 111.79 1ilf s GLN 140 Ca 0.01 -0.98 0.23 0.00 0.02 0.00 0.00 55.36 54.64 1ilf s GLN 140 Cb 0.10 -2.15 0.18 0.00 1.00 0.00 0.00 33.01 32.13 1ilf s GLN 140 CO 0.60 -0.87 1.23 1.04 -2.12 0.00 0.00 175.29 175.17