#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 -0.42 0.00 0.03 -0.04 -1.26 -5.02 135.00 128.30 1ilf n PRO 2 Ca 0.00 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.48 1ilf n PRO 2 Cb 0.00 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.47 1ilf n PRO 2 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 1ilf n ARG 3 N -1.17 1.12 -4.59 0.54 -4.01 -1.26 -4.98 116.66 102.32 1ilf n ARG 3 Ca 0.00 -0.58 -0.33 0.00 -1.04 0.00 0.00 57.85 55.90 1ilf n ARG 3 Cb 0.00 -0.99 -0.15 0.00 -3.04 0.00 0.00 32.46 28.28 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 -0.63 2.62 0.37 8.89 -7.23 -1.26 -3.86 120.40 119.29 1ilf s VAL 4 Ca 0.04 -0.79 -0.15 0.00 -1.81 0.00 0.00 61.98 59.27 1ilf s VAL 4 Cb 0.04 -2.10 -0.09 0.00 0.56 0.00 0.00 36.38 34.79 1ilf s VAL 4 CO 0.08 0.52 0.79 0.68 -0.31 0.00 0.00 175.10 176.87 1ilf s VAL 5 N 0.76 4.64 0.17 1.32 -7.23 -1.21 -4.95 120.40 113.91 1ilf s VAL 5 Ca -0.06 1.00 -0.04 0.00 -1.81 0.00 0.00 61.98 61.06 1ilf s VAL 5 Cb -0.15 -3.63 0.27 0.00 0.56 0.00 0.00 36.38 33.43 1ilf s VAL 5 CO 0.01 -0.29 0.94 -2.65 -0.31 0.00 0.00 175.10 172.79 1ilf n PRO 6 N -0.64 -0.05 -3.65 4.82 -0.02 -1.26 -2.58 135.00 131.62 1ilf n PRO 6 Ca 0.04 0.93 -0.29 0.00 -2.02 0.00 0.00 63.50 62.16 1ilf n PRO 6 Cb 0.53 -1.40 -0.13 0.00 -0.02 0.00 0.00 33.50 32.49 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 -5.14 3.43 0.20 2.55 1.01 -1.26 -4.97 116.67 112.49 1ilf s ASP 7 Ca -0.09 -2.61 -0.11 0.00 0.71 0.00 0.00 52.55 50.45 1ilf s ASP 7 Cb 0.16 -0.90 0.12 0.00 1.01 0.00 0.00 42.92 43.32 1ilf s ASP 7 CO 0.47 -0.26 1.85 0.06 0.21 0.00 0.00 175.17 177.49 1ilf h GLN 8 N 6.67 0.91 0.00 8.23 3.07 -1.78 0.25 115.11 132.47 1ilf h GLN 8 Ca 0.03 -0.07 -0.03 0.00 0.09 0.00 0.00 58.65 58.66 1ilf h GLN 8 Cb 0.93 -0.20 -0.00 0.00 0.08 0.00 0.00 27.48 28.29 1ilf h GLN 8 CO 0.44 0.63 -0.14 0.07 0.09 0.00 0.00 178.83 179.92 1ilf h ARG 9 N 0.92 0.00 -0.66 0.06 0.11 -1.93 -1.16 114.38 111.72 1ilf h ARG 9 Ca 0.25 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.29 1ilf h ARG 9 Cb -0.06 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 30.99 1ilf h ARG 9 CO -0.05 0.14 0.25 0.77 0.10 0.00 0.00 179.97 181.19 1ilf h SER 10 N 0.00 0.89 0.20 0.08 0.02 -1.35 0.56 113.55 113.95 1ilf h SER 10 Ca -0.00 -0.13 -0.34 0.00 -0.84 0.00 0.00 61.79 60.48 1ilf h SER 10 Cb 0.44 -0.23 0.02 0.00 0.14 0.00 0.00 62.40 62.76 1ilf h SER 10 CO 0.02 0.80 -1.67 0.11 -1.14 0.00 0.00 176.83 174.95 1ilf h LYS 11 N 0.95 0.42 0.00 3.45 6.56 -1.23 0.15 116.57 126.88 1ilf h LYS 11 Ca 0.22 -0.72 -0.01 0.00 -1.06 0.00 0.00 60.65 59.09 1ilf h LYS 11 Cb 0.20 0.27 -0.00 0.00 -0.57 0.00 0.00 32.23 32.13 1ilf h LYS 11 CO -0.02 1.34 -0.03 0.35 -2.06 0.00 0.00 179.45 179.03 1ilf h PHE 12 N 0.09 0.00 0.00 -1.35 3.04 -1.11 0.54 116.94 118.15 1ilf h PHE 12 Ca -0.32 0.00 -0.33 0.00 3.98 0.00 0.00 57.97 61.29 1ilf h PHE 12 Cb 2.09 0.00 -0.06 0.00 2.56 0.00 0.00 35.95 40.54 1ilf h PHE 12 CO 0.11 0.03 -2.34 -0.85 -2.02 0.00 0.00 178.31 173.25 1ilf n GLU 13 N -3.18 0.69 -0.10 1.11 -0.00 0.19 -4.25 120.64 115.10 1ilf n GLU 13 Ca -0.01 -0.02 -0.10 0.00 -0.00 0.00 0.00 57.16 57.03 1ilf n GLU 13 Cb 0.25 -1.53 -0.15 0.00 -0.00 0.00 0.00 31.44 30.02 1ilf n GLU 13 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 1ilf n ASN 14 N -2.71 0.28 -4.75 -1.84 5.15 0.53 -4.91 115.26 107.01 1ilf n ASN 14 Ca -0.30 -0.01 -0.41 0.00 -0.60 0.00 0.00 54.58 53.26 1ilf n ASN 14 Cb 1.10 0.90 -0.02 0.00 -0.53 0.00 0.00 39.78 41.23 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 -2.48 4.23 0.00 1.20 0.41 0.19 -4.91 118.70 117.34 1ilf s GLU 15 Ca -0.11 2.38 0.00 0.00 -0.41 0.00 0.00 54.97 56.83 1ilf s GLU 15 Cb 0.06 -3.07 0.00 0.00 -1.78 0.00 0.00 34.13 29.34 1ilf s GLU 15 CO 0.79 -0.45 0.76 -0.85 -0.49 0.00 0.00 175.26 175.02 1ilf n GLU 16 N 1.93 0.00 -0.24 1.61 0.00 -1.26 0.39 120.64 123.06 1ilf n GLU 16 Ca 0.06 0.36 0.05 0.00 0.00 0.00 0.00 57.16 57.62 1ilf n GLU 16 Cb 0.40 -1.30 0.17 0.00 0.00 0.00 0.00 31.44 30.71 1ilf n GLU 16 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.13 177.48 1ilf h PHE 17 N 0.00 0.40 -0.05 -1.84 3.04 -1.97 1.08 116.94 117.60 1ilf h PHE 17 Ca 0.00 0.04 0.01 0.00 3.98 0.00 0.00 57.97 62.00 1ilf h PHE 17 Cb 0.00 -0.07 -0.00 0.00 2.56 0.00 0.00 35.95 38.44 1ilf h PHE 17 CO 0.15 0.01 0.04 0.35 -2.02 0.00 0.00 178.31 176.84 1ilf h PHE 18 N 0.37 0.00 0.00 0.41 3.04 -1.88 0.39 116.94 119.27 1ilf h PHE 18 Ca 0.40 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.35 1ilf h PHE 18 Cb 0.62 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.13 1ilf h PHE 18 CO -0.20 0.00 -0.10 0.00 -2.02 0.00 0.00 178.31 175.99 1ilf h ARG 19 N 0.00 0.00 -0.80 1.11 3.08 0.58 0.45 114.38 118.80 1ilf h ARG 19 Ca 0.02 0.00 0.23 0.00 0.07 0.00 0.00 59.98 60.31 1ilf h ARG 19 Cb 0.10 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.12 1ilf h ARG 19 CO -0.00 0.00 0.67 1.57 -1.07 0.00 0.00 179.97 181.14 1ilf h LYS 20 N -0.69 0.00 0.12 0.04 2.10 0.20 0.55 116.57 118.90 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 0.10 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.41 1ilf h LYS 20 CO 0.00 0.00 -1.90 -0.07 -2.00 0.00 0.00 179.45 175.48 1ilf h LEU 21 N 0.00 0.41 -0.69 7.07 3.38 -0.32 -3.31 115.31 121.85 1ilf h LEU 21 Ca 0.38 -0.84 0.00 0.00 0.09 0.00 0.00 57.88 57.51 1ilf h LEU 21 Cb 1.72 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.34 1ilf h LEU 21 CO -0.00 1.74 0.10 -0.24 0.09 0.00 0.00 178.44 180.13 1ilf n SER 22 N -3.46 0.27 -1.45 -0.43 2.88 0.18 -2.08 113.62 109.53 1ilf n SER 22 Ca -0.28 0.57 0.00 0.00 -1.33 0.00 0.00 58.87 57.82 1ilf n SER 22 Cb 1.05 -0.58 0.00 0.00 -0.75 0.00 0.00 64.21 63.93 1ilf n SER 22 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1ilf n ARG 23 N -1.85 1.52 -3.84 -1.46 5.12 -0.33 -3.77 116.66 112.06 1ilf n ARG 23 Ca -0.01 0.00 -0.36 0.00 -1.93 0.00 0.00 57.85 55.55 1ilf n ARG 23 Cb 0.12 0.00 -0.12 0.00 -1.16 0.00 0.00 32.46 31.30 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 -0.58 3.68 -0.03 5.56 2.02 -1.26 -2.03 118.70 126.06 1ilf s GLU 24 Ca 0.00 -0.47 -0.16 0.00 0.02 0.00 0.00 54.97 54.36 1ilf s GLU 24 Cb 0.00 -3.27 0.03 0.00 0.10 0.00 0.00 34.13 30.99 1ilf s GLU 24 CO 0.00 -0.11 0.34 0.00 0.02 0.00 0.00 175.26 175.51 1ilf n GLU 26 N 1.38 0.33 -4.39 0.00 0.00 -1.26 -1.66 120.64 115.04 1ilf n GLU 26 Ca -0.21 0.12 -0.19 0.00 0.00 0.00 0.00 57.16 56.88 1ilf n GLU 26 Cb 0.56 -1.25 -0.10 0.00 0.00 0.00 0.00 31.44 30.65 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 -1.30 0.81 0.24 3.84 -4.36 0.52 -1.57 121.20 119.37 1ilf s ILE 27 Ca 0.62 -2.00 -0.19 0.00 -0.26 0.00 0.00 60.65 58.82 1ilf s ILE 27 Cb -0.74 -2.68 0.02 0.00 1.25 0.00 0.00 42.46 40.31 1ilf s ILE 27 CO 0.59 0.00 0.61 -1.59 0.24 0.00 0.00 174.94 174.79 1ilf s LYS 28 N -3.94 1.57 -0.30 0.37 -2.85 -0.72 -1.44 119.74 112.42 1ilf s LYS 28 Ca 0.36 -0.93 -0.20 0.00 -1.00 0.00 0.00 55.97 54.21 1ilf s LYS 28 Cb 0.08 0.56 -0.01 0.00 -2.06 0.00 0.00 37.83 36.40 1ilf s LYS 28 CO 0.15 -0.69 0.60 -0.47 0.10 0.00 0.00 175.35 175.03 1ilf s TYR 29 N -3.90 3.22 0.00 1.78 5.04 -0.28 0.43 117.35 123.64 1ilf s TYR 29 Ca 0.11 0.56 0.03 0.00 -2.44 0.00 0.00 57.07 55.33 1ilf s TYR 29 Cb -0.03 -2.93 0.05 0.00 0.35 0.00 0.00 41.96 39.39 1ilf s TYR 29 CO 0.02 -0.44 0.88 0.25 -1.34 0.00 0.00 175.55 174.92 1ilf n THR 30 N 5.35 0.00 0.00 4.34 -2.24 -1.26 -4.81 114.28 115.66 1ilf n THR 30 Ca -0.02 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 1ilf n THR 30 Cb 0.49 0.42 0.00 0.00 -2.10 0.00 0.00 70.33 69.14 1ilf n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ilf n GLY 31 N 0.05 -0.67 1.27 3.38 0.00 -1.25 -4.62 105.19 103.35 1ilf n GLY 31 Ca -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.99 1ilf n GLY 31 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1ilf n PHE 32 N -1.95 0.80 0.56 1.61 -1.74 -1.26 -4.72 117.46 110.76 1ilf n PHE 32 Ca 0.00 -1.58 0.12 0.00 -0.56 0.00 0.00 57.45 55.43 1ilf n PHE 32 Cb 0.00 -0.26 0.17 0.00 1.52 0.00 0.00 39.48 40.91 1ilf n PHE 32 CO 0.00 0.00 0.00 0.07 -0.56 0.00 0.00 176.76 176.27 1ilf h ARG 33 N 1.43 0.00 -0.07 3.97 -0.00 -1.87 -3.34 114.38 114.48 1ilf h ARG 33 Ca 0.05 0.00 0.02 0.00 -0.00 0.00 0.00 59.98 60.05 1ilf h ARG 33 Cb 1.30 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 31.27 1ilf h ARG 33 CO 0.22 0.00 0.43 0.22 -0.00 0.00 0.00 179.97 180.85 1ilf h ASP 34 N 0.00 0.00 0.00 0.08 1.82 -1.89 -3.16 116.42 113.27 1ilf h ASP 34 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1ilf h ASP 34 Cb 0.75 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.76 1ilf h ASP 34 CO 0.00 0.00 0.00 -2.11 -1.61 0.00 0.00 179.24 175.52 1ilf n ARG 35 N -2.97 0.00 -2.41 0.28 0.00 -1.26 -4.88 116.66 105.43 1ilf n ARG 35 Ca -0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 57.85 57.47 1ilf n ARG 35 Cb 0.50 0.00 -0.02 0.00 -0.00 0.00 0.00 32.46 32.93 1ilf n ARG 35 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 1ilf s PRO 36 N 3.65 3.48 0.22 2.89 0.04 -1.26 -4.79 135.00 139.22 1ilf s PRO 36 Ca 0.00 -1.69 -0.11 0.00 0.04 0.00 0.00 61.00 59.24 1ilf s PRO 36 Cb 0.00 -5.43 0.30 0.00 0.04 0.00 0.00 34.50 29.41 1ilf s PRO 36 CO 0.00 -2.83 1.66 1.25 0.04 0.00 0.00 177.00 177.11 1ilf h HIS 37 N 8.36 -0.06 -0.41 0.56 2.76 -1.85 0.53 115.15 125.03 1ilf h HIS 37 Ca 0.36 0.05 0.12 0.00 -2.20 0.00 0.00 60.37 58.70 1ilf h HIS 37 Cb 0.90 0.13 -0.02 0.00 1.55 0.00 0.00 27.41 29.97 1ilf h HIS 37 CO 1.35 -0.18 0.44 0.93 -1.30 0.00 0.00 177.93 179.17 1ilf h GLU 38 N 0.11 0.00 0.14 5.26 5.08 -1.90 0.62 114.58 123.88 1ilf h GLU 38 Ca 0.33 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.37 1ilf h GLU 38 Cb 0.54 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.78 1ilf h GLU 38 CO -0.55 0.00 -1.64 1.49 -1.00 0.00 0.00 179.01 177.31 1ilf h GLU 39 N 0.00 0.29 -0.14 2.33 4.81 -0.44 -3.25 114.58 118.18 1ilf h GLU 39 Ca 0.19 -0.49 0.04 0.00 -0.13 0.00 0.00 59.36 58.97 1ilf h GLU 39 Cb 1.07 0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.63 1ilf h GLU 39 CO -0.00 1.16 0.22 0.00 -0.73 0.00 0.00 179.01 179.66 1ilf h ARG 40 N 0.08 0.00 -0.86 1.92 -0.00 0.23 0.30 114.38 116.05 1ilf h ARG 40 Ca -0.29 0.00 -0.00 0.00 -0.50 0.00 0.00 59.98 59.19 1ilf h ARG 40 Cb 2.05 0.00 -0.04 0.00 0.00 0.00 0.00 29.97 31.97 1ilf h ARG 40 CO 0.16 0.00 0.53 -0.56 0.00 0.00 0.00 179.97 180.10 1ilf h GLN 41 N 0.00 1.15 0.06 0.04 -0.00 -1.23 0.97 115.11 116.10 1ilf h GLN 41 Ca 0.07 -0.09 -0.28 0.00 -0.00 0.00 0.00 58.65 58.34 1ilf h GLN 41 Cb 0.51 -0.25 -0.02 0.00 -0.00 0.00 0.00 27.48 27.72 1ilf h GLN 41 CO -0.00 0.80 -1.48 1.15 -0.00 0.00 0.00 178.83 179.30 1ilf h THR 42 N 1.18 1.18 -0.23 1.86 2.02 -0.72 -2.51 112.91 115.69 1ilf h THR 42 Ca 0.31 -2.89 -0.04 0.00 0.77 0.00 0.00 66.41 64.56 1ilf h THR 42 Cb -0.07 2.68 -0.01 0.00 -1.74 0.00 0.00 68.15 69.01 1ilf h THR 42 CO -0.06 0.77 -0.03 0.03 0.37 0.00 0.00 175.52 176.60 1ilf h ARG 43 N 0.04 0.34 0.07 6.66 -0.00 -0.09 1.01 114.38 122.40 1ilf h ARG 43 Ca -0.21 -0.06 -0.00 0.00 -0.50 0.00 0.00 59.98 59.21 1ilf h ARG 43 Cb 1.96 -0.05 0.00 0.00 0.00 0.00 0.00 29.97 31.88 1ilf h ARG 43 CO 0.13 0.39 -0.03 0.35 0.00 0.00 0.00 179.97 180.81 1ilf h PHE 44 N 0.33 -0.08 -0.06 3.04 3.57 0.90 0.73 116.94 125.37 1ilf h PHE 44 Ca 0.07 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.59 1ilf h PHE 44 Cb 0.27 0.03 -0.00 0.00 2.79 0.00 0.00 35.95 39.04 1ilf h PHE 44 CO 0.01 0.48 0.04 1.96 -2.23 0.00 0.00 178.31 178.57 1ilf h GLN 45 N -0.90 0.00 0.00 1.11 4.20 -1.23 0.31 115.11 118.60 1ilf h GLN 45 Ca -0.01 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.56 1ilf h GLN 45 Cb 0.60 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.36 1ilf h GLN 45 CO 0.02 0.00 -0.67 -0.97 -0.67 0.00 0.00 178.83 176.53 1ilf h ASN 46 N 0.00 0.00 0.51 1.46 -0.73 0.11 -3.02 115.58 113.90 1ilf h ASN 46 Ca 0.03 0.00 -0.12 0.00 1.87 0.00 0.00 56.30 58.08 1ilf h ASN 46 Cb 0.12 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 38.69 1ilf h ASN 46 CO -0.00 0.65 -0.55 0.00 -0.37 0.00 0.00 177.43 177.16 1ilf h ALA 47 N 1.35 1.06 0.00 1.57 0.00 0.20 -1.39 119.26 122.05 1ilf h ALA 47 Ca -0.01 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 1ilf h ALA 47 Cb 1.50 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.20 1ilf h ALA 47 CO 0.08 0.69 -0.02 0.00 0.00 0.00 0.00 179.25 180.00 1ilf h ARG 49 N 0.00 0.07 -0.18 0.00 2.43 -1.28 -3.09 114.38 112.33 1ilf h ARG 49 Ca -0.00 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 1ilf h ARG 49 Cb 0.29 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 1ilf h ARG 49 CO 0.00 0.97 0.00 -0.25 -1.51 0.00 0.00 179.97 179.18 1ilf n ASP 50 N -3.50 2.24 -1.69 -3.80 9.92 -0.24 -4.01 116.55 115.48 1ilf n ASP 50 Ca -0.02 -1.78 -0.16 0.00 -0.53 0.00 0.00 54.79 52.30 1ilf n ASP 50 Cb 0.88 -0.11 -0.02 0.00 -0.64 0.00 0.00 41.12 41.23 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 1.26 0.17 3.16 0.44 0.00 -0.20 -4.93 105.19 105.09 1ilf n GLY 51 Ca 0.17 -0.22 -0.11 0.00 0.00 0.00 0.00 46.02 45.86 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 -4.46 0.29 0.06 1.61 3.00 -0.41 0.49 118.95 119.54 1ilf s ARG 52 Ca 0.00 0.71 -0.06 0.00 0.00 0.00 0.00 55.73 56.38 1ilf s ARG 52 Cb 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 34.95 34.91 1ilf s ARG 52 CO 0.00 -0.18 0.12 0.45 0.00 0.00 0.00 175.30 175.69 1ilf s SER 53 N 1.58 0.18 -0.39 0.23 0.15 -1.11 -4.30 113.70 110.04 1ilf s SER 53 Ca -0.08 -0.61 -0.04 0.00 0.70 0.00 0.00 55.95 55.93 1ilf s SER 53 Cb -0.10 0.27 0.09 0.00 -1.71 0.00 0.00 66.02 64.58 1ilf s SER 53 CO -0.11 -0.60 0.18 -0.70 1.20 0.00 0.00 173.24 173.21 1ilf s GLU 54 N -3.19 2.16 -0.07 5.44 2.12 -1.26 -2.08 118.70 121.82 1ilf s GLU 54 Ca -0.00 -1.67 0.01 0.00 0.36 0.00 0.00 54.97 53.67 1ilf s GLU 54 Cb 0.02 -3.54 -0.03 0.00 0.26 0.00 0.00 34.13 30.84 1ilf s GLU 54 CO -0.07 -0.98 -0.08 0.96 -0.54 0.00 0.00 175.26 174.55 1ilf s ILE 55 N 1.20 3.62 0.32 -3.70 -0.00 -0.24 -3.85 121.20 118.55 1ilf s ILE 55 Ca 0.05 -0.50 -0.07 0.00 -0.00 0.00 0.00 60.65 60.12 1ilf s ILE 55 Cb -0.22 -2.48 -0.06 0.00 -0.00 0.00 0.00 42.46 39.70 1ilf s ILE 55 CO -0.03 0.59 0.63 0.00 -0.00 0.00 0.00 174.94 176.13 1ilf s ALA 56 N -0.69 3.52 -0.19 2.27 0.00 0.17 -1.42 121.76 125.41 1ilf s ALA 56 Ca 0.10 -0.40 -0.03 0.00 0.00 0.00 0.00 51.96 51.63 1ilf s ALA 56 Cb -0.11 -2.46 -0.01 0.00 0.00 0.00 0.00 23.12 20.54 1ilf s ALA 56 CO 0.02 0.18 -0.05 0.12 0.00 0.00 0.00 175.76 176.02 1ilf s PHE 57 N -2.16 2.95 -0.14 0.00 2.19 0.32 -1.76 117.98 119.37 1ilf s PHE 57 Ca 0.47 -0.74 0.24 0.00 0.33 0.00 0.00 56.93 57.23 1ilf s PHE 57 Cb -0.11 -2.04 0.65 0.00 -1.31 0.00 0.00 43.02 40.21 1ilf s PHE 57 CO 0.29 -0.39 1.71 0.28 1.83 0.00 0.00 175.22 178.95 1ilf h VAL 58 N 5.55 0.28 -0.43 3.12 2.07 -1.59 0.49 116.25 125.73 1ilf h VAL 58 Ca -0.37 -1.14 0.09 0.00 0.82 0.00 0.00 66.70 66.11 1ilf h VAL 58 Cb 1.18 1.92 -0.09 0.00 -1.52 0.00 0.00 31.29 32.77 1ilf h VAL 58 CO 0.60 0.14 -0.17 0.00 0.02 0.00 0.00 177.57 178.16 1ilf h ALA 59 N 1.86 0.18 0.00 1.67 0.00 -1.86 -3.32 119.26 117.79 1ilf h ALA 59 Ca -0.00 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1ilf h ALA 59 Cb 0.90 0.43 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1ilf h ALA 59 CO 0.02 -0.51 -0.31 0.25 0.00 0.00 0.00 179.25 178.70 1ilf n THR 60 N -5.36 0.00 -3.17 0.00 -2.24 -1.24 -5.04 114.28 97.23 1ilf n THR 60 Ca 0.03 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.67 1ilf n THR 60 Cb 0.27 0.69 0.07 0.00 -2.10 0.00 0.00 70.33 69.26 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 -1.02 3.19 3.38 0.00 0.17 -5.02 105.19 105.89 1ilf n GLY 61 Ca 0.00 0.52 -0.32 0.00 0.00 0.00 0.00 46.02 46.21 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 -3.37 2.10 0.26 2.61 -1.32 -0.90 -4.87 115.64 110.16 1ilf s THR 62 Ca 0.41 -0.98 -0.29 0.00 -1.21 0.00 0.00 61.69 59.63 1ilf s THR 62 Cb -0.05 -1.83 -0.09 0.00 -1.51 0.00 0.00 72.50 69.01 1ilf s THR 62 CO 0.70 0.55 0.94 0.21 -2.21 0.00 0.00 174.62 174.81 1ilf s ASN 63 N 0.70 7.55 -0.05 8.08 2.47 -1.26 -0.53 114.94 131.91 1ilf s ASN 63 Ca -0.10 1.93 -0.03 0.00 0.42 0.00 0.00 52.86 55.08 1ilf s ASN 63 Cb -0.16 -2.60 0.03 0.00 -1.45 0.00 0.00 41.25 37.06 1ilf s ASN 63 CO 0.01 0.09 0.11 -0.76 -3.72 0.00 0.00 177.10 172.82 1ilf s LEU 64 N -1.43 1.15 -0.37 3.21 1.02 -0.51 -4.96 118.68 116.79 1ilf s LEU 64 Ca 0.44 0.21 -0.06 0.00 0.02 0.00 0.00 54.13 54.74 1ilf s LEU 64 Cb -0.24 0.28 0.06 0.00 0.02 0.00 0.00 46.19 46.31 1ilf s LEU 64 CO 0.30 -0.10 0.15 -0.44 0.02 0.00 0.00 176.35 176.28 1ilf s SER 65 N 0.70 5.36 0.11 2.29 0.01 -1.26 -1.08 113.70 119.84 1ilf s SER 65 Ca -0.05 -1.39 0.06 0.00 1.31 0.00 0.00 55.95 55.88 1ilf s SER 65 Cb -0.07 -1.88 -0.04 0.00 0.21 0.00 0.00 66.02 64.23 1ilf s SER 65 CO -0.03 -0.41 -0.00 -0.76 0.41 0.00 0.00 173.24 172.44 1ilf s LEU 66 N 1.36 3.42 -0.35 2.44 1.43 -0.88 -5.01 118.68 121.08 1ilf s LEU 66 Ca 0.01 -0.24 -0.02 0.00 -1.03 0.00 0.00 54.13 52.85 1ilf s LEU 66 Cb -0.21 -2.13 0.08 0.00 0.03 0.00 0.00 46.19 43.96 1ilf s LEU 66 CO 0.01 0.15 0.10 -1.10 0.23 0.00 0.00 176.35 175.74 1ilf s GLN 67 N -2.47 2.15 -0.28 1.70 -0.21 -1.26 -2.74 119.66 116.54 1ilf s GLN 67 Ca 0.26 -1.57 -0.05 0.00 0.02 0.00 0.00 55.36 54.01 1ilf s GLN 67 Cb -0.11 -3.37 0.01 0.00 1.00 0.00 0.00 33.01 30.54 1ilf s GLN 67 CO 0.18 -0.85 0.05 -0.59 -2.12 0.00 0.00 175.29 171.95 1ilf s PHE 68 N 1.17 3.13 -0.06 0.91 -0.12 0.18 -4.15 117.98 119.04 1ilf s PHE 68 Ca 0.02 -1.14 -0.30 0.00 -0.05 0.00 0.00 56.93 55.47 1ilf s PHE 68 Cb -0.21 -2.21 0.07 0.00 -0.63 0.00 0.00 43.02 40.04 1ilf s PHE 68 CO -0.03 -0.62 0.66 -0.06 -0.05 0.00 0.00 175.22 175.12 1ilf s PHE 69 N 1.45 -0.64 -0.34 3.49 0.08 -1.26 -4.26 117.98 116.51 1ilf s PHE 69 Ca 0.02 1.13 -0.32 0.00 0.12 0.00 0.00 56.93 57.88 1ilf s PHE 69 Cb -0.17 0.38 -0.09 0.00 -0.57 0.00 0.00 43.02 42.57 1ilf s PHE 69 CO 0.01 -0.58 2.25 -2.30 -0.10 0.00 0.00 175.22 174.50 1ilf n PRO 70 N 1.06 1.35 0.16 0.24 -0.02 -1.26 -4.79 135.00 131.74 1ilf n PRO 70 Ca -0.19 0.33 0.11 0.00 -2.02 0.00 0.00 63.50 61.74 1ilf n PRO 70 Cb 0.57 -2.81 0.57 0.00 -0.02 0.00 0.00 33.50 31.81 1ilf n PRO 70 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ilf n ALA 71 N 11.19 1.12 0.28 3.55 0.00 -1.26 -2.01 120.51 133.38 1ilf n ALA 71 Ca 0.38 0.19 0.13 0.00 0.00 0.00 0.00 53.44 54.14 1ilf n ALA 71 Cb 0.33 -1.32 0.81 0.00 0.00 0.00 0.00 19.45 19.27 1ilf n ALA 71 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1ilf h SER 72 N 0.00 0.00 -3.03 0.00 0.87 -2.07 -3.43 113.55 105.89 1ilf h SER 72 Ca 0.00 0.00 -0.56 0.00 -1.23 0.00 0.00 61.79 60.00 1ilf h SER 72 Cb 0.04 0.00 0.09 0.00 -0.44 0.00 0.00 62.40 62.09 1ilf h SER 72 CO 0.00 0.05 0.70 -2.67 -0.53 0.00 0.00 176.83 174.38 1ilf n TRP 73 N -3.85 2.46 -0.06 2.24 2.14 -0.85 -4.91 117.44 114.61 1ilf n TRP 73 Ca -0.03 0.39 -0.06 0.00 2.07 0.00 0.00 57.50 59.87 1ilf n TRP 73 Cb 0.15 -2.50 -0.09 0.00 -0.81 0.00 0.00 31.31 28.05 1ilf n TRP 73 CO 0.00 0.00 0.00 1.04 2.07 0.00 0.00 177.69 180.80 1ilf n GLN 74 N 1.79 1.95 -0.72 -2.67 1.13 -1.26 -4.78 117.38 112.81 1ilf n GLN 74 Ca 0.09 -0.00 -0.01 0.00 -1.94 0.00 0.00 57.00 55.14 1ilf n GLN 74 Cb 0.34 -1.31 -0.01 0.00 0.11 0.00 0.00 30.24 29.38 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 2.29 0.76 2.71 1.08 0.00 -1.26 -4.99 105.19 105.78 1ilf n GLY 75 Ca -0.20 -0.11 -0.36 0.00 0.00 0.00 0.00 46.02 45.35 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 0.07 2.40 -0.31 1.61 1.02 -1.26 -4.72 120.64 119.44 1ilf n GLU 76 Ca -0.04 -1.95 0.06 0.00 -0.02 0.00 0.00 57.16 55.21 1ilf n GLU 76 Cb 0.68 -2.83 0.15 0.00 -0.02 0.00 0.00 31.44 29.43 1ilf n GLU 76 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 1ilf h GLN 77 N 6.44 0.01 0.00 3.49 7.50 -2.00 -3.41 115.11 127.15 1ilf h GLN 77 Ca 0.56 -0.00 -0.20 0.00 0.50 0.00 0.00 58.65 59.51 1ilf h GLN 77 Cb 0.43 -0.00 0.12 0.00 0.05 0.00 0.00 27.48 28.07 1ilf h GLN 77 CO 1.75 0.01 -0.10 0.54 -1.50 0.00 0.00 178.83 179.53 1ilf n ARG 78 N -5.53 -2.27 -4.00 1.46 1.74 -1.26 -5.00 116.66 101.80 1ilf n ARG 78 Ca 0.15 -0.80 -0.30 0.00 -0.77 0.00 0.00 57.85 56.13 1ilf n ARG 78 Cb 0.50 -1.33 -0.16 0.00 -1.02 0.00 0.00 32.46 30.45 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 -3.69 2.19 -0.13 5.56 1.11 -1.26 -5.11 119.66 118.33 1ilf s GLN 79 Ca 0.37 -0.57 0.01 0.00 0.01 0.00 0.00 55.36 55.18 1ilf s GLN 79 Cb -0.07 -2.10 0.02 0.00 -1.01 0.00 0.00 33.01 29.85 1ilf s GLN 79 CO 0.31 -0.27 -0.15 0.99 0.01 0.00 0.00 175.29 176.19 1ilf s THR 80 N 1.50 1.53 -1.29 -0.19 2.01 -1.26 -4.92 115.64 113.01 1ilf s THR 80 Ca 0.04 -0.63 -0.17 0.00 0.31 0.00 0.00 61.69 61.24 1ilf s THR 80 Cb -0.13 -1.42 0.08 0.00 0.01 0.00 0.00 72.50 71.04 1ilf s THR 80 CO -0.10 0.45 1.72 -0.81 -0.69 0.00 0.00 174.62 175.19 1ilf n PRO 81 N 4.48 3.21 -2.41 4.92 -0.04 -1.26 -4.75 135.00 139.16 1ilf n PRO 81 Ca -0.18 -3.33 -0.40 0.00 -0.04 0.00 0.00 63.50 59.55 1ilf n PRO 81 Cb 0.51 -3.43 -0.04 0.00 -0.04 0.00 0.00 33.50 30.50 1ilf n PRO 81 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1ilf s SER 82 N 3.97 7.15 0.00 3.54 0.01 -1.25 -4.80 113.70 122.32 1ilf s SER 82 Ca 0.52 2.34 0.11 0.00 1.31 0.00 0.00 55.95 60.24 1ilf s SER 82 Cb 0.04 -2.63 0.58 0.00 0.21 0.00 0.00 66.02 64.22 1ilf s SER 82 CO 0.06 -0.23 1.25 -1.14 0.41 0.00 0.00 173.24 173.59 1ilf n ARG 83 N 1.07 0.18 -0.06 12.44 0.63 -0.99 0.13 116.66 130.06 1ilf n ARG 83 Ca -0.01 0.16 -0.15 0.00 -0.92 0.00 0.00 57.85 56.94 1ilf n ARG 83 Cb 0.44 -1.50 -0.06 0.00 0.45 0.00 0.00 32.46 31.79 1ilf n ARG 83 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1ilf h GLU 84 N 0.00 0.69 0.00 -0.14 5.08 -1.99 -3.37 114.58 114.85 1ilf h GLU 84 Ca 0.00 -0.47 -0.18 0.00 -1.00 0.00 0.00 59.36 57.70 1ilf h GLU 84 Cb 0.10 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 1ilf h GLU 84 CO 0.00 1.09 -1.67 0.66 -1.00 0.00 0.00 179.01 178.09 1ilf n TYR 85 N -4.15 0.00 -3.99 4.33 4.02 -0.92 -4.88 117.16 111.56 1ilf n TYR 85 Ca -0.06 0.00 -0.31 0.00 -0.01 0.00 0.00 57.90 57.52 1ilf n TYR 85 Cb 0.59 -0.45 -0.15 0.00 -0.02 0.00 0.00 39.34 39.31 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 -2.23 1.85 -0.19 -0.72 -7.23 0.34 0.44 120.40 112.65 1ilf s VAL 86 Ca -0.16 -1.53 -0.17 0.00 -1.81 0.00 0.00 61.98 58.31 1ilf s VAL 86 Cb 0.05 -2.09 -0.04 0.00 0.56 0.00 0.00 36.38 34.86 1ilf s VAL 86 CO 0.25 -0.15 0.46 -0.62 -0.31 0.00 0.00 175.10 174.73 1ilf s ASP 87 N 1.23 6.52 0.00 4.85 -1.08 -0.86 -2.33 116.67 124.99 1ilf s ASP 87 Ca -0.05 0.62 0.00 0.00 -0.52 0.00 0.00 52.55 52.60 1ilf s ASP 87 Cb -0.19 -2.27 0.00 0.00 -1.46 0.00 0.00 42.92 39.00 1ilf s ASP 87 CO -0.07 -0.12 0.63 0.18 0.52 0.00 0.00 175.17 176.31 1ilf n LEU 88 N 4.58 1.02 -4.39 -1.34 4.32 -1.26 -3.95 117.00 115.97 1ilf n LEU 88 Ca -0.06 -1.02 -0.37 0.00 -0.02 0.00 0.00 56.01 54.54 1ilf n LEU 88 Cb 0.51 0.00 -0.13 0.00 -1.62 0.00 0.00 43.42 42.18 1ilf n LEU 88 CO 0.41 0.25 -0.28 -0.70 -1.22 0.00 0.00 177.39 175.86 1ilf s GLU 89 N -0.40 3.36 0.00 3.23 2.12 -1.26 -4.89 118.70 120.86 1ilf s GLU 89 Ca 0.00 -0.68 0.00 0.00 0.36 0.00 0.00 54.97 54.65 1ilf s GLU 89 Cb 0.00 -3.34 0.00 0.00 0.26 0.00 0.00 34.13 31.05 1ilf s GLU 89 CO 0.00 -0.32 0.00 2.89 -0.54 0.00 0.00 175.26 177.29 1ilf n ARG 90 N 4.90 0.00 0.03 4.30 0.00 -1.26 -4.73 116.66 119.90 1ilf n ARG 90 Ca -0.15 0.00 -0.02 0.00 -0.00 0.00 0.00 57.85 57.67 1ilf n ARG 90 Cb 0.50 0.00 -0.09 0.00 -0.00 0.00 0.00 32.46 32.87 1ilf n ARG 90 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.63 178.68 1ilf h GLU 91 N 0.00 0.00 0.00 2.89 4.11 -1.90 -3.47 114.58 116.22 1ilf h GLU 91 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1ilf h GLU 91 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1ilf h GLU 91 CO 0.00 0.40 0.00 0.00 0.07 0.00 0.00 179.01 179.48 1ilf n ALA 92 N -2.41 0.00 0.00 1.06 0.00 -1.26 -5.00 120.51 112.90 1ilf n ALA 92 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1ilf n ALA 92 Cb 0.89 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.34 1ilf n ALA 92 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ilf n GLY 93 N 0.00 0.58 3.81 0.00 0.00 -1.26 -5.14 105.19 103.18 1ilf n GLY 93 Ca 0.00 -0.02 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 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 2.22 -0.14 1.61 3.01 -1.26 -4.58 119.74 120.59 1ilf s LYS 94 Ca 0.00 -2.20 0.02 0.00 -1.01 0.00 0.00 55.97 52.78 1ilf s LYS 94 Cb 0.00 -1.79 0.01 0.00 -1.01 0.00 0.00 37.83 35.04 1ilf s LYS 94 CO 0.00 -0.43 -0.20 0.54 0.51 0.00 0.00 175.35 175.77 1ilf s VAL 95 N -2.81 2.25 0.13 3.17 0.11 -0.90 -4.62 120.40 117.73 1ilf s VAL 95 Ca 0.20 -0.92 0.07 0.00 -2.93 0.00 0.00 61.98 58.40 1ilf s VAL 95 Cb 0.01 -1.91 -0.04 0.00 -1.53 0.00 0.00 36.38 32.90 1ilf s VAL 95 CO 0.12 0.54 -0.04 -0.72 -3.33 0.00 0.00 175.10 171.67 1ilf s TYR 96 N 0.81 2.84 0.20 1.54 -0.85 -1.25 -1.07 117.35 119.57 1ilf s TYR 96 Ca -0.07 -0.12 0.02 0.00 -0.52 0.00 0.00 57.07 56.38 1ilf s TYR 96 Cb -0.15 -1.43 -0.05 0.00 0.38 0.00 0.00 41.96 40.71 1ilf s TYR 96 CO -0.01 0.48 0.04 -0.51 -1.52 0.00 0.00 175.55 174.02 1ilf s LEU 97 N -2.55 1.93 -0.06 -3.49 1.02 -0.49 -2.04 118.68 113.01 1ilf s LEU 97 Ca 0.25 -1.25 -0.02 0.00 0.02 0.00 0.00 54.13 53.13 1ilf s LEU 97 Cb -0.10 -0.02 0.04 0.00 0.02 0.00 0.00 46.19 46.12 1ilf s LEU 97 CO 0.17 -0.63 0.10 -0.75 0.02 0.00 0.00 176.35 175.26 1ilf s LYS 98 N -3.96 -0.00 -0.02 1.70 2.20 0.17 -2.02 119.74 117.81 1ilf s LYS 98 Ca 0.29 0.40 0.01 0.00 -0.36 0.00 0.00 55.97 56.31 1ilf s LYS 98 Cb 0.07 -0.31 0.01 0.00 -1.51 0.00 0.00 37.83 36.09 1ilf s LYS 98 CO 0.08 -0.26 -0.01 0.00 -0.36 0.00 0.00 175.35 174.80 1ilf s ALA 99 N 1.78 0.29 -0.33 3.13 0.00 -0.80 -4.18 121.76 121.65 1ilf s ALA 99 Ca -0.01 0.04 -0.19 0.00 0.00 0.00 0.00 51.96 51.79 1ilf s ALA 99 Cb -0.12 -0.21 -0.01 0.00 0.00 0.00 0.00 23.12 22.79 1ilf s ALA 99 CO -0.04 -0.01 0.58 -1.25 0.00 0.00 0.00 175.76 175.03 1ilf s PRO 100 N 0.55 3.74 0.31 0.00 0.04 -1.26 -1.90 135.00 136.48 1ilf s PRO 100 Ca -0.05 0.05 0.03 0.00 0.04 0.00 0.00 61.00 61.06 1ilf s PRO 100 Cb -0.08 -3.78 -0.05 0.00 0.04 0.00 0.00 34.50 30.63 1ilf s PRO 100 CO -0.01 -0.63 0.10 0.00 0.04 0.00 0.00 177.00 176.50 1ilf s MET 101 N 2.53 1.59 -0.44 4.56 0.23 -0.68 -4.92 119.30 122.18 1ilf s MET 101 Ca 0.22 -1.90 -0.13 0.00 -1.03 0.00 0.00 55.69 52.85 1ilf s MET 101 Cb -0.15 -0.46 0.07 0.00 -1.53 0.00 0.00 34.83 32.76 1ilf s MET 101 CO 0.13 -0.32 0.33 0.42 -2.03 0.00 0.00 175.02 173.55 1ilf s ILE 102 N -3.52 4.87 0.09 3.16 -1.09 -1.26 -1.09 121.20 122.36 1ilf s ILE 102 Ca 0.35 -1.12 -0.01 0.00 -2.23 0.00 0.00 60.65 57.64 1ilf s ILE 102 Cb 0.07 -3.90 -0.04 0.00 -1.58 0.00 0.00 42.46 37.01 1ilf s ILE 102 CO 0.15 -0.50 0.26 -0.76 -1.23 0.00 0.00 174.94 172.86 1ilf s LEU 103 N 1.57 4.33 0.00 2.97 1.43 -0.05 -4.79 118.68 124.14 1ilf s LEU 103 Ca 0.04 0.36 0.00 0.00 -1.03 0.00 0.00 54.13 53.50 1ilf s LEU 103 Cb -0.23 -3.06 0.00 0.00 0.03 0.00 0.00 46.19 42.93 1ilf s LEU 103 CO 0.06 0.13 0.00 0.59 0.23 0.00 0.00 176.35 177.35 1ilf n ASN 104 N 0.19 0.00 -4.11 2.29 4.13 -1.26 0.14 115.26 116.64 1ilf n ASN 104 Ca -0.04 0.00 -0.34 0.00 1.68 0.00 0.00 54.58 55.88 1ilf n ASN 104 Cb 0.51 0.00 -0.04 0.00 -1.54 0.00 0.00 39.78 38.72 1ilf n ASN 104 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1ilf n GLY 105 N 0.01 -0.41 3.62 7.41 0.00 -1.26 -4.95 105.19 109.61 1ilf n GLY 105 Ca 0.00 0.24 -0.11 0.00 0.00 0.00 0.00 46.02 46.14 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 -3.98 0.00 -0.28 1.61 1.01 0.37 -3.29 120.40 115.84 1ilf s VAL 106 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 61.98 61.86 1ilf s VAL 106 Cb -0.08 -1.00 0.01 0.00 0.00 0.00 0.00 36.38 35.31 1ilf s VAL 106 CO 0.95 0.00 1.06 0.00 0.00 0.00 0.00 175.10 177.11 1ilf s VAL 108 N 3.45 1.48 -0.17 0.00 -7.23 -0.25 -1.34 120.40 116.33 1ilf s VAL 108 Ca 0.45 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.58 1ilf s VAL 108 Cb -0.13 -2.79 0.08 0.00 0.56 0.00 0.00 36.38 34.09 1ilf s VAL 108 CO 0.11 0.00 0.24 -0.63 -0.31 0.00 0.00 175.10 174.51 1ilf s ILE 109 N -3.02 -0.37 -0.21 -0.62 1.01 0.24 -1.68 121.20 116.55 1ilf s ILE 109 Ca 0.32 0.07 -0.09 0.00 0.00 0.00 0.00 60.65 60.95 1ilf s ILE 109 Cb 0.08 -0.57 -0.05 0.00 0.01 0.00 0.00 42.46 41.94 1ilf s ILE 109 CO 0.15 -0.05 0.12 0.86 0.00 0.00 0.00 174.94 176.02 1ilf s TRP 110 N 2.37 3.33 0.01 3.97 -0.00 -0.80 -0.11 118.94 127.71 1ilf s TRP 110 Ca 0.05 0.20 0.02 0.00 -0.00 0.00 0.00 56.10 56.37 1ilf s TRP 110 Cb -0.14 -2.17 -0.01 0.00 -0.00 0.00 0.00 33.47 31.14 1ilf s TRP 110 CO -0.10 0.16 -0.08 0.21 -0.00 0.00 0.00 176.95 177.14 1ilf s LYS 111 N 0.61 0.58 0.00 5.86 2.36 -0.09 -1.90 119.74 127.16 1ilf s LYS 111 Ca 0.06 -0.45 0.00 0.00 -2.55 0.00 0.00 55.97 53.03 1ilf s LYS 111 Cb -0.12 -0.50 0.00 0.00 -1.05 0.00 0.00 37.83 36.16 1ilf s LYS 111 CO 0.01 0.13 0.00 0.41 1.55 0.00 0.00 175.35 177.44 1ilf n GLY 112 N 2.36 0.93 3.57 5.54 0.00 -0.86 -0.37 105.19 116.37 1ilf n GLY 112 Ca -0.16 -0.62 -0.30 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 2.77 0.03 1.61 1.48 0.23 -1.39 118.94 121.66 1ilf s TRP 113 Ca 0.00 -0.13 0.08 0.00 -1.06 0.00 0.00 56.10 54.99 1ilf s TRP 113 Cb 0.00 -1.49 -0.03 0.00 -1.16 0.00 0.00 33.47 30.79 1ilf s TRP 113 CO 0.00 0.39 -0.23 0.42 -4.06 0.00 0.00 176.95 173.48 1ilf s ILE 114 N -1.13 2.40 0.02 0.66 -1.09 -0.23 -1.39 121.20 120.43 1ilf s ILE 114 Ca 0.20 -1.23 -0.24 0.00 -2.23 0.00 0.00 60.65 57.14 1ilf s ILE 114 Cb -0.11 -1.94 -0.05 0.00 -1.58 0.00 0.00 42.46 38.78 1ilf s ILE 114 CO 0.11 0.41 0.73 1.51 -1.23 0.00 0.00 174.94 176.48 1ilf s ASP 115 N -1.16 7.14 0.00 3.58 1.47 -0.64 -2.12 116.67 124.95 1ilf s ASP 115 Ca 0.12 1.37 0.00 0.00 1.18 0.00 0.00 52.55 55.22 1ilf s ASP 115 Cb -0.10 -2.44 0.00 0.00 -0.34 0.00 0.00 42.92 40.03 1ilf s ASP 115 CO 0.02 0.00 0.67 0.18 0.68 0.00 0.00 175.17 176.73 1ilf n LEU 116 N 2.97 0.18 0.00 2.11 4.77 -1.26 -0.92 117.00 124.85 1ilf n LEU 116 Ca -0.03 -0.09 -0.01 0.00 -0.03 0.00 0.00 56.01 55.85 1ilf n LEU 116 Cb 0.51 -0.09 -0.00 0.00 -2.33 0.00 0.00 43.42 41.50 1ilf n LEU 116 CO 0.47 0.04 -0.11 1.41 -1.33 0.00 0.00 177.39 177.87 1ilf n HIS 117 N -0.35 0.00 1.01 -1.77 8.25 -1.26 -4.77 115.22 116.32 1ilf n HIS 117 Ca 0.00 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.58 1ilf n HIS 117 Cb 0.04 -0.08 0.29 0.00 1.12 0.00 0.00 29.99 31.37 1ilf n HIS 117 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1ilf n ARG 118 N -3.13 0.03 -2.41 -0.41 1.74 -1.25 -4.94 116.66 106.28 1ilf n ARG 118 Ca -0.02 -0.01 -0.13 0.00 -0.77 0.00 0.00 57.85 56.92 1ilf n ARG 118 Cb 0.08 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.03 1ilf n ARG 118 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1ilf n LEU 119 N -1.48 -1.81 -4.01 0.55 4.77 -0.10 -4.86 117.00 110.07 1ilf n LEU 119 Ca 0.06 -0.07 -0.15 0.00 -0.03 0.00 0.00 56.01 55.82 1ilf n LEU 119 Cb 0.34 -1.96 -0.13 0.00 -2.33 0.00 0.00 43.42 39.34 1ilf n LEU 119 CO 0.34 -0.03 -0.40 -1.81 -1.33 0.00 0.00 177.39 174.16 1ilf s ASP 120 N -2.59 0.73 0.00 -1.43 1.11 -1.24 -1.12 116.67 112.13 1ilf s ASP 120 Ca 0.07 -0.31 0.00 0.00 0.18 0.00 0.00 52.55 52.49 1ilf s ASP 120 Cb -0.03 -0.02 0.00 0.00 1.07 0.00 0.00 42.92 43.94 1ilf s ASP 120 CO 0.08 -0.06 0.00 0.61 1.18 0.00 0.00 175.17 176.98 1ilf n GLY 121 N 2.25 3.85 3.04 0.21 0.00 -0.52 -1.61 105.19 112.41 1ilf n GLY 121 Ca -0.17 -0.21 -0.20 0.00 0.00 0.00 0.00 46.02 45.44 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 4.83 0.85 0.33 1.61 -1.94 -0.49 -0.36 119.30 124.14 1ilf s MET 122 Ca 0.00 -0.36 0.02 0.00 -1.71 0.00 0.00 55.69 53.64 1ilf s MET 122 Cb 0.00 -0.82 -0.01 0.00 2.01 0.00 0.00 34.83 36.01 1ilf s MET 122 CO 0.00 0.21 0.09 0.41 -0.01 0.00 0.00 175.02 175.72 1ilf n GLY 123 N 2.87 3.49 3.63 -0.03 0.00 -0.66 -0.60 105.19 113.89 1ilf n GLY 123 Ca -0.14 -2.13 -0.05 0.00 0.00 0.00 0.00 46.02 43.71 1ilf n GLY 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ilf s LEU 125 N -0.76 3.81 0.08 0.00 1.43 -0.86 -0.91 118.68 121.46 1ilf s LEU 125 Ca 0.06 -0.24 -0.13 0.00 -1.03 0.00 0.00 54.13 52.79 1ilf s LEU 125 Cb -0.02 -2.35 0.02 0.00 0.03 0.00 0.00 46.19 43.87 1ilf s LEU 125 CO -0.07 -0.02 0.30 -0.70 0.23 0.00 0.00 176.35 176.09 1ilf s GLU 126 N -3.75 0.90 0.00 1.70 2.56 0.84 -4.15 118.70 116.80 1ilf s GLU 126 Ca 0.33 -0.68 0.02 0.00 0.00 0.00 0.00 54.97 54.64 1ilf s GLU 126 Cb -0.08 0.38 -0.04 0.00 2.00 0.00 0.00 34.13 36.40 1ilf s GLU 126 CO 0.25 -0.31 -0.01 0.12 -0.56 0.00 0.00 175.26 174.75 1ilf s PHE 127 N -3.26 3.04 -0.49 5.30 2.19 -1.26 0.79 117.98 124.29 1ilf s PHE 127 Ca -0.00 0.05 -0.22 0.00 0.33 0.00 0.00 56.93 57.09 1ilf s PHE 127 Cb 0.01 -1.65 0.04 0.00 -1.31 0.00 0.00 43.02 40.11 1ilf s PHE 127 CO -0.08 0.45 0.77 0.34 1.83 0.00 0.00 175.22 178.53 1ilf s ASP 128 N -1.58 6.34 0.13 6.13 -1.08 -0.45 -4.88 116.67 121.28 1ilf s ASP 128 Ca 0.19 -0.38 0.14 0.00 -0.52 0.00 0.00 52.55 51.98 1ilf s ASP 128 Cb -0.11 -2.37 -0.10 0.00 -1.46 0.00 0.00 42.92 38.88 1ilf s ASP 128 CO 0.10 -0.97 1.09 -0.33 0.52 0.00 0.00 175.17 175.58 1ilf h GLU 129 N 9.06 0.00 0.00 4.34 5.08 -1.98 -2.16 114.58 128.92 1ilf h GLU 129 Ca -0.26 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.10 1ilf h GLU 129 Cb 1.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.34 1ilf h GLU 129 CO 0.98 0.52 -0.00 0.93 -1.00 0.00 0.00 179.01 180.45 1ilf h GLU 130 N 0.00 -0.00 -0.05 2.33 4.39 -2.01 -3.28 114.58 115.96 1ilf h GLU 130 Ca -0.10 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.43 1ilf h GLU 130 Cb 1.62 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.26 1ilf h GLU 130 CO 0.07 0.77 -0.73 -0.09 -1.16 0.00 0.00 179.01 177.88 1ilf h ARG 131 N -0.78 0.28 -0.41 2.33 9.65 -1.99 -3.30 114.38 120.15 1ilf h ARG 131 Ca -0.00 -0.23 0.07 0.00 -1.10 0.00 0.00 59.98 58.72 1ilf h ARG 131 Cb 0.78 0.05 -0.09 0.00 -1.39 0.00 0.00 29.97 29.31 1ilf h ARG 131 CO 0.00 0.89 -0.39 0.00 2.80 0.00 0.00 179.97 183.27 1ilf h ALA 132 N 1.04 -0.32 -0.05 2.80 0.00 -1.49 0.15 119.26 121.39 1ilf h ALA 132 Ca -0.03 0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.98 1ilf h ALA 132 Cb 1.29 0.82 -0.00 0.00 0.00 0.00 0.00 17.79 19.90 1ilf h ALA 132 CO 0.12 -0.81 0.03 1.96 0.00 0.00 0.00 179.25 180.55 1ilf h GLN 133 N -0.30 0.02 -0.47 0.00 4.20 -1.64 -1.95 115.11 114.98 1ilf h GLN 133 Ca 0.15 -0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.74 1ilf h GLN 133 Cb 0.57 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.33 1ilf h GLN 133 CO -0.57 0.01 -0.19 1.96 -0.67 0.00 0.00 178.83 179.38 1ilf h GLN 134 N 0.02 0.93 -0.99 1.46 4.20 -0.84 -2.49 115.11 117.40 1ilf h GLN 134 Ca 0.02 -0.37 0.23 0.00 0.06 0.00 0.00 58.65 58.58 1ilf h GLN 134 Cb 0.06 -0.04 -0.09 0.00 0.30 0.00 0.00 27.48 27.70 1ilf h GLN 134 CO -0.00 1.03 0.63 0.93 -0.67 0.00 0.00 178.83 180.75 1ilf h GLU 135 N 0.81 0.50 -0.18 1.46 4.39 -0.46 0.96 114.58 122.06 1ilf h GLU 135 Ca 0.11 -0.03 -0.18 0.00 0.34 0.00 0.00 59.36 59.60 1ilf h GLU 135 Cb 0.74 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 29.28 1ilf h GLU 135 CO 0.06 0.33 -0.63 -0.44 -1.16 0.00 0.00 179.01 177.17 1ilf h ASP 136 N 0.51 0.71 -0.11 1.42 5.19 -1.51 0.23 116.42 122.86 1ilf h ASP 136 Ca 0.56 -0.41 -0.03 0.00 -0.62 0.00 0.00 57.03 56.53 1ilf h ASP 136 Cb 1.24 -0.21 -0.00 0.00 0.18 0.00 0.00 39.33 40.54 1ilf h ASP 136 CO -0.30 1.16 -0.05 0.00 -3.12 0.00 0.00 179.24 176.93 1ilf h ALA 137 N 0.84 0.15 -0.22 3.45 0.00 0.99 0.87 119.26 125.34 1ilf h ALA 137 Ca -0.01 -0.25 -0.20 0.00 0.00 0.00 0.00 54.91 54.46 1ilf h ALA 137 Cb 1.20 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1ilf h ALA 137 CO 0.12 -0.08 -0.63 -0.07 0.00 0.00 0.00 179.25 178.59 1ilf h LEU 138 N -0.13 0.90 -1.24 0.00 3.38 0.33 -2.89 115.31 115.66 1ilf h LEU 138 Ca 0.02 -0.52 -0.01 0.00 0.09 0.00 0.00 57.88 57.46 1ilf h LEU 138 Cb 0.50 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 1ilf h LEU 138 CO 0.02 1.31 -0.07 0.00 0.09 0.00 0.00 178.44 179.79 1ilf h ALA 139 N 0.69 1.01 -3.24 1.53 0.00 -0.57 -3.39 119.26 115.29 1ilf h ALA 139 Ca -0.01 -0.06 -0.57 0.00 0.00 0.00 0.00 54.91 54.26 1ilf h ALA 139 Cb 1.24 -0.01 -0.40 0.00 0.00 0.00 0.00 17.79 18.62 1ilf h ALA 139 CO 0.13 0.08 -0.76 -0.65 0.00 0.00 0.00 179.25 178.06 1ilf s GLN 140 N -3.63 0.81 0.00 0.00 -0.21 0.30 -5.03 119.66 111.89 1ilf s GLN 140 Ca 0.01 -0.94 0.16 0.00 0.02 0.00 0.00 55.36 54.61 1ilf s GLN 140 Cb 0.09 -2.10 0.12 0.00 1.00 0.00 0.00 33.01 32.12 1ilf s GLN 140 CO 0.58 -0.87 0.99 1.04 -2.12 0.00 0.00 175.29 174.91