#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 -0.86 -0.25 0.03 0.04 -1.26 -4.92 135.00 127.78 1ilf s PRO 2 Ca 0.00 0.93 0.11 0.00 0.04 0.00 0.00 61.00 62.08 1ilf s PRO 2 Cb 0.00 -1.55 0.71 0.00 0.04 0.00 0.00 34.50 33.70 1ilf s PRO 2 CO 0.00 -3.71 1.66 2.89 0.04 0.00 0.00 177.00 177.87 1ilf n ARG 3 N -4.92 4.06 -4.52 4.56 0.00 -1.26 -4.91 116.66 109.66 1ilf n ARG 3 Ca 0.04 -2.80 -0.34 0.00 -0.00 0.00 0.00 57.85 54.75 1ilf n ARG 3 Cb 0.54 -2.17 -0.11 0.00 -0.00 0.00 0.00 32.46 30.73 1ilf n ARG 3 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 1ilf s VAL 4 N -2.65 3.92 0.24 8.89 -7.23 -1.26 -4.10 120.40 118.21 1ilf s VAL 4 Ca 0.49 -0.39 -0.09 0.00 -1.81 0.00 0.00 61.98 60.18 1ilf s VAL 4 Cb 0.38 -2.63 -0.07 0.00 0.56 0.00 0.00 36.38 34.63 1ilf s VAL 4 CO 0.13 0.59 0.55 0.68 -0.31 0.00 0.00 175.10 176.75 1ilf s VAL 5 N -0.74 4.95 0.34 1.32 -7.23 -1.20 -4.96 120.40 112.88 1ilf s VAL 5 Ca 0.11 0.41 0.22 0.00 -1.81 0.00 0.00 61.98 60.91 1ilf s VAL 5 Cb -0.11 -3.63 0.35 0.00 0.56 0.00 0.00 36.38 33.54 1ilf s VAL 5 CO 0.02 -0.11 1.33 -2.65 -0.31 0.00 0.00 175.10 173.38 1ilf n PRO 6 N -0.26 -0.04 -3.46 4.82 -0.01 -1.26 -3.00 135.00 131.77 1ilf n PRO 6 Ca 0.00 1.12 -0.27 0.00 -0.01 0.00 0.00 63.50 64.35 1ilf n PRO 6 Cb 0.53 -2.10 -0.12 0.00 -0.01 0.00 0.00 33.50 31.80 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 -4.48 2.79 0.20 2.55 1.01 -1.26 -4.99 116.67 112.49 1ilf s ASP 7 Ca -0.07 -1.77 -0.09 0.00 0.71 0.00 0.00 52.55 51.33 1ilf s ASP 7 Cb 0.28 -0.19 0.12 0.00 1.01 0.00 0.00 42.92 44.14 1ilf s ASP 7 CO 0.67 -0.34 1.75 0.06 0.21 0.00 0.00 175.17 177.52 1ilf h GLN 8 N 7.48 1.08 0.00 8.23 -0.00 -1.82 -0.68 115.11 129.39 1ilf h GLN 8 Ca -0.02 -0.21 -0.04 0.00 -0.00 0.00 0.00 58.65 58.39 1ilf h GLN 8 Cb 1.00 -0.17 -0.01 0.00 -0.00 0.00 0.00 27.48 28.30 1ilf h GLN 8 CO 0.30 0.90 -0.17 0.00 -0.00 0.00 0.00 178.83 179.87 1ilf h ARG 9 N 1.03 0.00 0.00 0.06 -0.00 -1.94 -1.56 114.38 111.97 1ilf h ARG 9 Ca 0.24 0.00 -0.02 0.00 -0.50 0.00 0.00 59.98 59.70 1ilf h ARG 9 Cb 0.24 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 30.21 1ilf h ARG 9 CO -0.02 0.17 -0.07 0.77 0.00 0.00 0.00 179.97 180.82 1ilf h SER 10 N 0.00 0.00 0.00 7.04 0.02 -1.52 0.49 113.55 119.58 1ilf h SER 10 Ca -0.00 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 1ilf h SER 10 Cb 0.51 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.04 1ilf h SER 10 CO 0.02 0.07 -0.29 0.11 -1.14 0.00 0.00 176.83 175.61 1ilf h LYS 11 N 0.00 0.00 -0.06 3.45 6.56 -1.21 0.10 116.57 125.41 1ilf h LYS 11 Ca -0.00 0.00 0.02 0.00 -1.06 0.00 0.00 60.65 59.61 1ilf h LYS 11 Cb 0.14 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 31.80 1ilf h LYS 11 CO 0.01 0.26 0.30 0.35 -2.06 0.00 0.00 179.45 178.30 1ilf h PHE 12 N -1.00 0.00 0.00 -1.35 3.57 -1.31 0.92 116.94 117.76 1ilf h PHE 12 Ca -0.04 0.00 -0.32 0.00 3.53 0.00 0.00 57.97 61.14 1ilf h PHE 12 Cb 0.45 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 39.13 1ilf h PHE 12 CO -0.01 0.00 -2.30 -0.85 -2.23 0.00 0.00 178.31 172.91 1ilf n GLU 13 N -3.06 0.68 -0.06 1.11 0.28 0.17 -4.44 120.64 115.32 1ilf n GLU 13 Ca -0.01 -0.02 -0.06 0.00 -0.16 0.00 0.00 57.16 56.91 1ilf n GLU 13 Cb 0.36 -1.53 -0.09 0.00 1.43 0.00 0.00 31.44 31.62 1ilf n GLU 13 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 1ilf n ASN 14 N -2.70 2.32 -4.75 -1.84 5.15 0.02 -5.00 115.26 108.46 1ilf n ASN 14 Ca -0.28 -0.01 -0.41 0.00 -0.60 0.00 0.00 54.58 53.27 1ilf n ASN 14 Cb 1.08 0.62 -0.02 0.00 -0.53 0.00 0.00 39.78 40.93 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 -2.28 4.22 0.00 1.20 0.41 0.31 -4.93 118.70 117.63 1ilf s GLU 15 Ca -0.08 2.40 0.00 0.00 -0.41 0.00 0.00 54.97 56.88 1ilf s GLU 15 Cb 0.04 -3.07 0.00 0.00 -1.78 0.00 0.00 34.13 29.32 1ilf s GLU 15 CO 0.44 -0.46 0.50 -0.85 -0.49 0.00 0.00 175.26 174.40 1ilf n GLU 16 N 1.93 0.00 -0.32 1.61 0.28 -1.26 -0.23 120.64 122.65 1ilf n GLU 16 Ca 0.06 0.32 0.09 0.00 -0.16 0.00 0.00 57.16 57.47 1ilf n GLU 16 Cb 0.40 -1.13 0.26 0.00 1.43 0.00 0.00 31.44 32.40 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 0.87 0.00 -1.84 3.04 -1.97 1.08 116.94 118.12 1ilf h PHE 17 Ca 0.00 0.03 -0.02 0.00 3.98 0.00 0.00 57.97 61.96 1ilf h PHE 17 Cb 0.00 -0.25 -0.00 0.00 2.56 0.00 0.00 35.95 38.26 1ilf h PHE 17 CO 0.09 0.20 -0.11 0.35 -2.02 0.00 0.00 178.31 176.82 1ilf h PHE 18 N 0.67 0.00 0.00 0.41 3.57 -1.90 0.44 116.94 120.14 1ilf h PHE 18 Ca 0.50 0.00 0.00 0.00 3.53 0.00 0.00 57.97 62.00 1ilf h PHE 18 Cb 0.73 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.47 1ilf h PHE 18 CO -0.06 0.11 -0.10 0.00 -2.23 0.00 0.00 178.31 176.02 1ilf h ARG 19 N 0.00 0.00 -0.55 1.11 3.08 0.41 0.39 114.38 118.83 1ilf h ARG 19 Ca -0.00 0.00 0.16 0.00 0.07 0.00 0.00 59.98 60.21 1ilf h ARG 19 Cb 0.21 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.24 1ilf h ARG 19 CO 0.01 0.00 0.59 1.57 -1.07 0.00 0.00 179.97 181.07 1ilf h LYS 20 N -0.74 0.00 0.14 0.04 2.10 0.10 0.64 116.57 118.85 1ilf h LYS 20 Ca 0.00 0.00 -0.36 0.00 -2.00 0.00 0.00 60.65 58.29 1ilf h LYS 20 Cb 0.10 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.43 1ilf h LYS 20 CO 0.00 0.00 -1.89 -0.07 -2.00 0.00 0.00 179.45 175.49 1ilf h LEU 21 N 0.00 0.48 -1.61 7.07 -0.00 -0.21 -3.31 115.31 117.73 1ilf h LEU 21 Ca 0.26 -0.91 0.00 0.00 -0.00 0.00 0.00 57.88 57.23 1ilf h LEU 21 Cb 1.43 -0.15 0.00 0.00 -0.00 0.00 0.00 40.66 41.94 1ilf h LEU 21 CO -0.00 1.80 0.25 -1.28 -0.00 0.00 0.00 178.44 179.21 1ilf h SER 22 N 0.08 0.00 -3.29 -0.43 0.87 0.47 -2.01 113.55 109.24 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 2.06 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 64.02 1ilf h SER 22 CO 0.12 0.00 0.00 0.54 -0.53 0.00 0.00 176.83 176.96 1ilf n ARG 23 N -2.53 1.54 -4.28 2.24 5.12 -0.50 -3.76 116.66 114.49 1ilf n ARG 23 Ca -0.02 0.00 -0.34 0.00 -1.93 0.00 0.00 57.85 55.56 1ilf n ARG 23 Cb 0.29 0.00 -0.12 0.00 -1.16 0.00 0.00 32.46 31.47 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 -0.57 3.72 0.32 5.56 -1.05 -1.26 -1.96 118.70 123.45 1ilf s GLU 24 Ca 0.00 -0.49 -0.07 0.00 -0.15 0.00 0.00 54.97 54.26 1ilf s GLU 24 Cb 0.00 -2.99 0.01 0.00 -0.44 0.00 0.00 34.13 30.70 1ilf s GLU 24 CO 0.00 0.21 0.51 0.00 0.95 0.00 0.00 175.26 176.93 1ilf n GLU 26 N -0.51 2.62 -4.10 0.00 1.02 -1.26 -1.20 120.64 117.21 1ilf n GLU 26 Ca -0.01 0.92 -0.10 0.00 -0.02 0.00 0.00 57.16 57.95 1ilf n GLU 26 Cb 0.61 -2.65 -0.09 0.00 -0.02 0.00 0.00 31.44 29.30 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 -0.82 0.06 0.27 -3.67 -4.36 -0.69 -1.35 121.20 110.65 1ilf s ILE 27 Ca 0.56 -1.76 -0.18 0.00 -0.26 0.00 0.00 60.65 59.01 1ilf s ILE 27 Cb -0.49 -2.12 0.01 0.00 1.25 0.00 0.00 42.46 41.11 1ilf s ILE 27 CO 0.60 -0.27 0.64 -1.59 0.24 0.00 0.00 174.94 174.55 1ilf s LYS 28 N -4.05 1.71 0.29 0.37 0.00 -0.76 -1.47 119.74 115.83 1ilf s LYS 28 Ca 0.26 -1.08 -0.24 0.00 0.00 0.00 0.00 55.97 54.91 1ilf s LYS 28 Cb 0.06 0.56 -0.09 0.00 0.00 0.00 0.00 37.83 38.35 1ilf s LYS 28 CO 0.04 -0.76 0.88 -0.47 0.00 0.00 0.00 175.35 175.04 1ilf s TYR 29 N -3.94 3.68 -0.42 1.78 6.14 -0.86 0.27 117.35 123.99 1ilf s TYR 29 Ca 0.15 1.66 0.00 0.00 0.64 0.00 0.00 57.07 59.53 1ilf s TYR 29 Cb -0.04 -2.83 0.21 0.00 0.42 0.00 0.00 41.96 39.72 1ilf s TYR 29 CO 0.08 0.25 0.95 2.41 0.64 0.00 0.00 175.55 179.88 1ilf n THR 30 N 0.62 0.00 0.06 4.34 -1.04 -1.08 -4.54 114.28 112.64 1ilf n THR 30 Ca 0.01 -0.68 0.00 0.00 -2.04 0.00 0.00 64.05 61.34 1ilf n THR 30 Cb 0.50 0.89 0.00 0.00 -1.82 0.00 0.00 70.33 69.90 1ilf n THR 30 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ilf n GLY 31 N 2.52 -0.21 1.59 3.41 0.00 -1.12 -4.38 105.19 107.00 1ilf n GLY 31 Ca 0.13 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.14 1ilf n GLY 31 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1ilf n PHE 32 N -2.95 0.71 0.18 1.61 -1.74 -1.26 -4.77 117.46 109.23 1ilf n PHE 32 Ca 0.00 -1.41 0.12 0.00 -0.56 0.00 0.00 57.45 55.60 1ilf n PHE 32 Cb 0.00 -0.23 0.04 0.00 1.52 0.00 0.00 39.48 40.81 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 1.52 0.00 -0.06 3.97 -0.00 -1.93 -3.35 114.38 114.52 1ilf h ARG 33 Ca -0.04 0.00 0.02 0.00 -0.00 0.00 0.00 59.98 59.95 1ilf h ARG 33 Cb 1.45 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 31.42 1ilf h ARG 33 CO 0.20 0.00 0.45 0.22 -0.00 0.00 0.00 179.97 180.84 1ilf h ASP 34 N 0.00 0.00 0.00 0.08 3.58 -1.98 -2.83 116.42 115.27 1ilf h ASP 34 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1ilf h ASP 34 Cb 0.97 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.02 1ilf h ASP 34 CO 0.00 0.00 0.00 -2.11 -2.88 0.00 0.00 179.24 174.25 1ilf n ARG 35 N -2.93 0.00 -1.83 0.28 0.00 -1.26 -4.84 116.66 106.09 1ilf n ARG 35 Ca -0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 57.85 57.43 1ilf n ARG 35 Cb 0.51 0.00 -0.01 0.00 -0.00 0.00 0.00 32.46 32.97 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 0.00 2.79 -0.34 2.89 -0.04 -1.26 -4.74 135.00 134.30 1ilf n PRO 36 Ca 0.00 -2.65 0.22 0.00 -0.04 0.00 0.00 63.50 61.03 1ilf n PRO 36 Cb 0.00 -3.30 0.46 0.00 -0.04 0.00 0.00 33.50 30.62 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 6.44 0.88 -0.14 0.54 2.76 -1.78 1.01 115.15 124.85 1ilf h HIS 37 Ca 0.54 0.03 0.02 0.00 -2.20 0.00 0.00 60.37 58.75 1ilf h HIS 37 Cb 0.68 -0.25 -0.01 0.00 1.55 0.00 0.00 27.41 29.39 1ilf h HIS 37 CO 1.44 -0.03 0.10 0.93 -1.30 0.00 0.00 177.93 179.06 1ilf h GLU 38 N 0.43 0.12 0.12 5.26 5.08 -1.88 0.04 114.58 123.75 1ilf h GLU 38 Ca 0.68 -0.01 -0.31 0.00 -1.00 0.00 0.00 59.36 58.72 1ilf h GLU 38 Cb 1.53 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.74 1ilf h GLU 38 CO -0.48 0.08 -1.57 1.49 -1.00 0.00 0.00 179.01 177.53 1ilf h GLU 39 N 0.13 0.25 -0.33 2.33 4.81 0.46 -3.21 114.58 119.01 1ilf h GLU 39 Ca 0.06 -0.43 0.10 0.00 -0.13 0.00 0.00 59.36 58.96 1ilf h GLU 39 Cb 0.08 0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 1ilf h GLU 39 CO -0.01 1.11 0.42 -0.09 -0.73 0.00 0.00 179.01 179.71 1ilf h ARG 40 N 0.07 0.00 -0.59 1.92 1.12 0.14 0.26 114.38 117.30 1ilf h ARG 40 Ca -0.26 0.00 0.09 0.00 -1.11 0.00 0.00 59.98 58.70 1ilf h ARG 40 Cb 2.02 0.00 -0.07 0.00 -0.01 0.00 0.00 29.97 31.91 1ilf h ARG 40 CO 0.16 0.00 0.22 -0.56 -3.11 0.00 0.00 179.97 176.68 1ilf h GLN 41 N 0.00 0.39 0.06 0.20 3.07 -1.15 1.09 115.11 118.77 1ilf h GLN 41 Ca 0.16 -0.02 -0.24 0.00 0.09 0.00 0.00 58.65 58.64 1ilf h GLN 41 Cb 1.00 -0.09 -0.01 0.00 0.08 0.00 0.00 27.48 28.46 1ilf h GLN 41 CO -0.00 0.26 -1.08 1.15 0.09 0.00 0.00 178.83 179.24 1ilf h THR 42 N 0.40 1.57 0.00 1.86 2.02 -0.74 -2.53 112.91 115.49 1ilf h THR 42 Ca 0.29 -3.07 -0.02 0.00 0.77 0.00 0.00 66.41 64.38 1ilf h THR 42 Cb 0.35 2.81 -0.00 0.00 -1.74 0.00 0.00 68.15 69.56 1ilf h THR 42 CO -0.29 0.89 -0.08 0.03 0.37 0.00 0.00 175.52 176.44 1ilf h ARG 43 N 0.06 0.00 0.08 6.66 -0.00 0.22 0.59 114.38 121.99 1ilf h ARG 43 Ca -0.08 0.00 -0.00 0.00 -0.50 0.00 0.00 59.98 59.40 1ilf h ARG 43 Cb 1.80 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.77 1ilf h ARG 43 CO 0.17 0.08 -0.04 0.35 0.00 0.00 0.00 179.97 180.53 1ilf h PHE 44 N 0.00 -0.10 -0.45 3.04 3.57 0.12 0.87 116.94 124.00 1ilf h PHE 44 Ca -0.00 -0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.60 1ilf h PHE 44 Cb 0.17 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.93 1ilf h PHE 44 CO 0.00 0.19 0.31 -0.56 -2.23 0.00 0.00 178.31 176.02 1ilf h GLN 45 N -1.00 0.12 0.00 1.11 -0.00 -1.21 0.64 115.11 114.77 1ilf h GLN 45 Ca -0.01 -0.01 -0.18 0.00 -0.00 0.00 0.00 58.65 58.46 1ilf h GLN 45 Cb 0.33 -0.03 -0.03 0.00 -0.00 0.00 0.00 27.48 27.76 1ilf h GLN 45 CO 0.02 0.08 -0.84 -0.91 -0.00 0.00 0.00 178.83 177.18 1ilf h ASN 46 N 0.12 0.00 0.47 0.06 4.21 0.14 -2.96 115.58 117.62 1ilf h ASN 46 Ca 0.21 0.00 -0.11 0.00 1.21 0.00 0.00 56.30 57.62 1ilf h ASN 46 Cb 0.68 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.86 1ilf h ASN 46 CO -0.03 0.84 -0.49 0.00 -1.29 0.00 0.00 177.43 176.46 1ilf h ALA 47 N 1.16 1.17 -0.00 -0.83 0.00 0.27 -0.77 119.26 120.25 1ilf h ALA 47 Ca -0.01 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1ilf h ALA 47 Cb 1.58 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.29 1ilf h ALA 47 CO 0.11 0.62 0.02 0.00 0.00 0.00 0.00 179.25 179.99 1ilf h ARG 49 N 0.00 0.00 -0.15 0.00 0.11 -1.20 -2.68 114.38 110.46 1ilf h ARG 49 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1ilf h ARG 49 Cb 0.03 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.11 1ilf h ARG 49 CO -0.00 0.44 0.00 -0.25 0.10 0.00 0.00 179.97 180.26 1ilf n ASP 50 N -3.70 3.02 -2.50 0.08 9.92 0.16 -4.42 116.55 119.11 1ilf n ASP 50 Ca -0.01 -1.96 -0.19 0.00 -0.53 0.00 0.00 54.79 52.10 1ilf n ASP 50 Cb 0.51 -0.08 0.02 0.00 -0.64 0.00 0.00 41.12 40.93 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 1.39 -0.38 3.20 0.44 0.00 -0.72 -4.91 105.19 104.21 1ilf n GLY 51 Ca 0.16 -0.02 -0.11 0.00 0.00 0.00 0.00 46.02 46.05 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 -5.36 0.32 0.05 1.61 0.52 -1.16 0.46 118.95 115.40 1ilf s ARG 52 Ca 0.18 0.75 -0.07 0.00 -0.52 0.00 0.00 55.73 56.08 1ilf s ARG 52 Cb -0.08 -0.01 -0.01 0.00 0.52 0.00 0.00 34.95 35.37 1ilf s ARG 52 CO 0.23 -0.18 0.13 0.45 0.02 0.00 0.00 175.30 175.95 1ilf s SER 53 N 1.57 0.17 -0.36 0.23 0.15 -0.87 -4.49 113.70 110.10 1ilf s SER 53 Ca -0.08 -0.58 0.02 0.00 0.70 0.00 0.00 55.95 56.01 1ilf s SER 53 Cb -0.10 0.27 0.10 0.00 -1.71 0.00 0.00 66.02 64.58 1ilf s SER 53 CO -0.11 -0.59 0.09 -0.70 1.20 0.00 0.00 173.24 173.12 1ilf s GLU 54 N -3.09 1.60 -0.02 5.44 2.12 -1.26 -1.96 118.70 121.53 1ilf s GLU 54 Ca -0.01 -1.87 0.05 0.00 0.36 0.00 0.00 54.97 53.50 1ilf s GLU 54 Cb 0.02 -3.29 -0.03 0.00 0.26 0.00 0.00 34.13 31.08 1ilf s GLU 54 CO -0.07 -0.97 -0.16 0.96 -0.54 0.00 0.00 175.26 174.48 1ilf s ILE 55 N 0.94 2.92 0.34 -3.70 -4.36 0.59 -2.62 121.20 115.31 1ilf s ILE 55 Ca 0.10 -0.90 -0.08 0.00 -0.26 0.00 0.00 60.65 59.52 1ilf s ILE 55 Cb -0.20 -2.17 -0.06 0.00 1.25 0.00 0.00 42.46 41.29 1ilf s ILE 55 CO -0.07 0.51 0.65 0.00 0.24 0.00 0.00 174.94 176.27 1ilf s ALA 56 N -0.79 3.49 -0.23 2.27 0.00 0.14 -1.02 121.76 125.62 1ilf s ALA 56 Ca 0.13 -0.38 -0.09 0.00 0.00 0.00 0.00 51.96 51.62 1ilf s ALA 56 Cb -0.11 -2.49 -0.04 0.00 0.00 0.00 0.00 23.12 20.48 1ilf s ALA 56 CO 0.02 0.14 0.11 0.12 0.00 0.00 0.00 175.76 176.15 1ilf s PHE 57 N -2.20 3.20 -0.36 0.00 5.36 0.17 -1.83 117.98 122.32 1ilf s PHE 57 Ca 0.47 -0.05 0.26 0.00 -0.96 0.00 0.00 56.93 56.65 1ilf s PHE 57 Cb -0.11 -2.22 0.68 0.00 -0.34 0.00 0.00 43.02 41.04 1ilf s PHE 57 CO 0.30 -0.09 1.73 0.28 -1.46 0.00 0.00 175.22 175.98 1ilf h VAL 58 N 5.22 0.00 -0.09 3.12 2.07 -1.52 0.29 116.25 125.34 1ilf h VAL 58 Ca -0.37 -0.77 0.04 0.00 0.82 0.00 0.00 66.70 66.42 1ilf h VAL 58 Cb 1.18 1.75 -0.04 0.00 -1.52 0.00 0.00 31.29 32.65 1ilf h VAL 58 CO 0.62 0.00 -0.16 0.00 0.02 0.00 0.00 177.57 178.05 1ilf h ALA 59 N 2.09 -0.12 0.00 1.67 0.00 -1.91 -3.33 119.26 117.67 1ilf h ALA 59 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1ilf h ALA 59 Cb 0.81 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1ilf h ALA 59 CO 0.00 -0.63 -0.23 0.25 0.00 0.00 0.00 179.25 178.65 1ilf n THR 60 N -5.30 0.41 -3.09 0.00 -2.24 -1.25 -5.00 114.28 97.82 1ilf n THR 60 Ca -0.04 -0.48 -0.20 0.00 -2.27 0.00 0.00 64.05 61.06 1ilf n THR 60 Cb 0.22 0.52 0.04 0.00 -2.10 0.00 0.00 70.33 69.01 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 -0.29 -0.38 3.83 3.38 0.00 1.00 -4.99 105.19 107.74 1ilf n GLY 61 Ca 0.03 0.06 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 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 -3.16 5.16 0.22 2.61 -1.32 -0.98 -4.80 115.64 113.37 1ilf s THR 62 Ca 0.34 0.69 -0.30 0.00 -1.21 0.00 0.00 61.69 61.21 1ilf s THR 62 Cb -0.15 -3.65 -0.09 0.00 -1.51 0.00 0.00 72.50 67.11 1ilf s THR 62 CO 0.42 0.56 0.96 0.21 -2.21 0.00 0.00 174.62 174.55 1ilf s ASN 63 N -0.82 7.60 -0.06 8.08 2.47 -1.26 0.43 114.94 131.38 1ilf s ASN 63 Ca 0.21 1.95 -0.00 0.00 0.42 0.00 0.00 52.86 55.44 1ilf s ASN 63 Cb -0.15 -2.61 0.03 0.00 -1.45 0.00 0.00 41.25 37.06 1ilf s ASN 63 CO 0.10 0.10 -0.02 -0.76 -3.72 0.00 0.00 177.10 172.81 1ilf s LEU 64 N -1.02 0.95 -0.30 3.21 1.43 -0.19 -4.90 118.68 117.86 1ilf s LEU 64 Ca 0.42 -0.11 0.01 0.00 -1.03 0.00 0.00 54.13 53.43 1ilf s LEU 64 Cb -0.26 -0.44 0.07 0.00 0.03 0.00 0.00 46.19 45.59 1ilf s LEU 64 CO 0.32 -0.13 -0.02 -0.44 0.23 0.00 0.00 176.35 176.31 1ilf s SER 65 N 1.48 4.70 0.14 2.29 0.01 -1.26 -0.30 113.70 120.76 1ilf s SER 65 Ca -0.02 -1.58 0.10 0.00 1.31 0.00 0.00 55.95 55.76 1ilf s SER 65 Cb -0.13 -1.63 -0.04 0.00 0.21 0.00 0.00 66.02 64.42 1ilf s SER 65 CO -0.03 -0.28 -0.21 -1.48 0.41 0.00 0.00 173.24 171.65 1ilf s LEU 66 N 1.10 2.55 -0.34 2.44 -0.00 -0.83 -5.01 118.68 118.59 1ilf s LEU 66 Ca -0.02 -0.68 -0.01 0.00 -0.00 0.00 0.00 54.13 53.41 1ilf s LEU 66 Cb -0.20 -1.38 0.08 0.00 -0.00 0.00 0.00 46.19 44.69 1ilf s LEU 66 CO -0.05 0.16 0.08 -1.10 -0.00 0.00 0.00 176.35 175.44 1ilf s GLN 67 N -2.29 2.11 -0.27 1.48 -0.21 -1.26 -2.05 119.66 117.18 1ilf s GLN 67 Ca 0.18 -1.57 -0.10 0.00 0.02 0.00 0.00 55.36 53.89 1ilf s GLN 67 Cb -0.10 -3.32 -0.05 0.00 1.00 0.00 0.00 33.01 30.55 1ilf s GLN 67 CO 0.09 -0.83 0.16 -0.59 -2.12 0.00 0.00 175.29 172.00 1ilf s PHE 68 N 1.15 3.21 0.06 0.91 -0.12 0.17 -4.24 117.98 119.12 1ilf s PHE 68 Ca 0.02 0.03 -0.26 0.00 -0.05 0.00 0.00 56.93 56.67 1ilf s PHE 68 Cb -0.21 -2.33 0.07 0.00 -0.63 0.00 0.00 43.02 39.92 1ilf s PHE 68 CO -0.04 -0.16 0.62 -0.06 -0.05 0.00 0.00 175.22 175.53 1ilf s PHE 69 N 1.60 -0.56 -0.07 3.49 0.08 -1.25 -4.19 117.98 117.08 1ilf s PHE 69 Ca 0.07 0.67 -0.32 0.00 0.12 0.00 0.00 56.93 57.47 1ilf s PHE 69 Cb -0.15 0.46 -0.10 0.00 -0.57 0.00 0.00 43.02 42.66 1ilf s PHE 69 CO 0.08 -0.72 1.99 -2.30 -0.10 0.00 0.00 175.22 174.18 1ilf n PRO 70 N 0.26 2.39 0.33 0.24 -0.02 -1.26 -4.83 135.00 132.12 1ilf n PRO 70 Ca -0.18 0.84 0.21 0.00 -2.02 0.00 0.00 63.50 62.36 1ilf n PRO 70 Cb 0.61 -2.89 1.15 0.00 -0.02 0.00 0.00 33.50 32.35 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 10.90 1.04 -0.56 3.55 0.00 -2.00 -0.57 119.26 131.61 1ilf h ALA 71 Ca -0.47 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.26 1ilf h ALA 71 Cb 1.26 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 18.94 1ilf h ALA 71 CO 0.95 -0.04 0.23 0.45 0.00 0.00 0.00 179.25 180.84 1ilf n SER 72 N -3.01 3.99 -4.33 0.00 2.88 -1.26 -4.87 113.62 107.02 1ilf n SER 72 Ca -0.03 -2.91 -0.33 0.00 -1.33 0.00 0.00 58.87 54.28 1ilf n SER 72 Cb 0.10 -0.69 -0.15 0.00 -0.75 0.00 0.00 64.21 62.73 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 -2.32 2.77 0.02 0.66 0.52 -0.22 -5.00 118.94 115.36 1ilf s TRP 73 Ca 0.40 -0.75 0.11 0.00 0.02 0.00 0.00 56.10 55.87 1ilf s TRP 73 Cb 0.32 -1.83 -0.20 0.00 -1.15 0.00 0.00 33.47 30.61 1ilf s TRP 73 CO 0.10 -0.27 0.99 1.96 0.02 0.00 0.00 176.95 179.74 1ilf h GLN 74 N 6.78 0.00 0.00 4.98 1.08 -1.89 -3.46 115.11 122.60 1ilf h GLN 74 Ca -0.25 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.95 1ilf h GLN 74 Cb 1.21 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.64 1ilf h GLN 74 CO 0.54 0.70 0.00 0.41 -0.95 0.00 0.00 178.83 179.54 1ilf n GLY 75 N 1.44 -1.80 2.50 3.46 0.00 -1.26 -5.05 105.19 104.48 1ilf n GLY 75 Ca -0.08 0.61 -0.31 0.00 0.00 0.00 0.00 46.02 46.24 1ilf n GLY 75 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ilf n GLU 76 N 0.00 3.06 0.22 1.61 -0.58 -1.26 -4.64 120.64 119.05 1ilf n GLU 76 Ca 0.00 -2.72 0.13 0.00 -0.42 0.00 0.00 57.16 54.15 1ilf n GLU 76 Cb 0.00 -2.28 0.75 0.00 -0.57 0.00 0.00 31.44 29.33 1ilf n GLU 76 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 1ilf h GLN 77 N 3.45 0.00 -0.24 3.49 4.20 -2.00 -2.23 115.11 121.78 1ilf h GLN 77 Ca 0.48 0.00 0.05 0.00 0.06 0.00 0.00 58.65 59.24 1ilf h GLN 77 Cb 0.58 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.32 1ilf h GLN 77 CO 1.05 0.00 -0.04 0.00 -0.67 0.00 0.00 178.83 179.18 1ilf h ARG 78 N 0.00 0.03 -7.11 1.46 2.47 -2.03 -3.42 114.38 105.77 1ilf h ARG 78 Ca 0.05 -0.00 -0.50 0.00 -1.26 0.00 0.00 59.98 58.27 1ilf h ARG 78 Cb 0.22 -0.01 0.05 0.00 -1.65 0.00 0.00 29.97 28.58 1ilf h ARG 78 CO -0.00 0.02 0.23 -0.65 0.56 0.00 0.00 179.97 180.13 1ilf s GLN 79 N -6.20 3.46 0.33 0.04 -0.21 -0.84 -5.07 119.66 111.18 1ilf s GLN 79 Ca -0.13 0.36 -0.20 0.00 0.02 0.00 0.00 55.36 55.41 1ilf s GLN 79 Cb 0.11 -2.26 -0.10 0.00 1.00 0.00 0.00 33.01 31.77 1ilf s GLN 79 CO 0.69 -0.41 0.84 -0.08 -2.12 0.00 0.00 175.29 174.21 1ilf s THR 80 N -2.94 4.47 0.86 -0.19 -1.32 -1.26 -4.97 115.64 110.30 1ilf s THR 80 Ca 0.51 1.37 -0.17 0.00 -1.21 0.00 0.00 61.69 62.19 1ilf s THR 80 Cb -0.11 -3.75 -0.13 0.00 -1.51 0.00 0.00 72.50 67.00 1ilf s THR 80 CO 0.48 -0.06 -0.48 -0.81 -2.21 0.00 0.00 174.62 171.54 1ilf n PRO 81 N 0.02 -0.00 -3.91 7.08 -0.04 -1.26 -4.98 135.00 131.90 1ilf n PRO 81 Ca 0.03 0.01 -0.23 0.00 -0.04 0.00 0.00 63.50 63.27 1ilf n PRO 81 Cb 0.52 -1.11 -0.02 0.00 -0.04 0.00 0.00 33.50 32.85 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 -1.10 6.33 0.00 3.54 0.01 -1.26 -4.99 113.70 116.22 1ilf s SER 82 Ca 0.47 0.13 0.22 0.00 1.31 0.00 0.00 55.95 58.08 1ilf s SER 82 Cb -0.27 -1.89 1.07 0.00 0.21 0.00 0.00 66.02 65.14 1ilf s SER 82 CO 0.76 -0.05 1.72 0.54 0.41 0.00 0.00 173.24 176.62 1ilf n ARG 83 N -1.19 1.31 0.00 12.44 1.74 -1.17 -1.46 116.66 128.33 1ilf n ARG 83 Ca -0.08 -0.46 -0.10 0.00 -0.77 0.00 0.00 57.85 56.44 1ilf n ARG 83 Cb 0.56 -1.37 0.03 0.00 -1.02 0.00 0.00 32.46 30.67 1ilf n ARG 83 CO 0.00 0.00 0.00 1.05 -1.52 0.00 0.00 177.63 177.16 1ilf h GLU 84 N 0.96 0.58 0.00 5.56 4.11 -1.98 -3.35 114.58 120.46 1ilf h GLU 84 Ca 0.00 -0.39 -0.15 0.00 0.07 0.00 0.00 59.36 58.90 1ilf h GLU 84 Cb 0.21 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 1ilf h GLU 84 CO 0.00 1.00 -1.54 0.66 0.07 0.00 0.00 179.01 179.20 1ilf n TYR 85 N -3.95 0.00 -3.87 2.06 4.02 -1.23 -4.90 117.16 109.30 1ilf n TYR 85 Ca -0.04 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.56 1ilf n TYR 85 Cb 0.63 -0.36 -0.16 0.00 -0.02 0.00 0.00 39.34 39.43 1ilf n TYR 85 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 1ilf s VAL 86 N -2.19 1.25 -0.20 -0.72 -7.23 -0.53 0.50 120.40 111.28 1ilf s VAL 86 Ca -0.13 -1.16 -0.02 0.00 -1.81 0.00 0.00 61.98 58.86 1ilf s VAL 86 Cb 0.04 -1.66 0.00 0.00 0.56 0.00 0.00 36.38 35.32 1ilf s VAL 86 CO 0.21 -0.24 -0.11 -0.62 -0.31 0.00 0.00 175.10 174.03 1ilf s ASP 87 N 1.50 3.82 0.00 4.85 -1.08 -0.90 -3.07 116.67 121.79 1ilf s ASP 87 Ca -0.01 -0.49 0.00 0.00 -0.52 0.00 0.00 52.55 51.53 1ilf s ASP 87 Cb -0.18 -1.63 0.00 0.00 -1.46 0.00 0.00 42.92 39.65 1ilf s ASP 87 CO -0.09 0.00 0.00 0.18 0.52 0.00 0.00 175.17 175.78 1ilf n LEU 88 N 4.62 0.00 -4.51 -1.34 4.32 -1.26 -2.86 117.00 115.98 1ilf n LEU 88 Ca -0.19 0.00 -0.41 0.00 -0.02 0.00 0.00 56.01 55.38 1ilf n LEU 88 Cb 0.51 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 42.20 1ilf n LEU 88 CO 0.28 0.00 -0.09 -0.70 -1.22 0.00 0.00 177.39 175.66 1ilf s GLU 89 N 0.00 3.31 0.00 3.23 2.12 -1.26 -4.25 118.70 121.85 1ilf s GLU 89 Ca 0.00 -0.76 0.00 0.00 0.36 0.00 0.00 54.97 54.57 1ilf s GLU 89 Cb 0.00 -3.87 0.00 0.00 0.26 0.00 0.00 34.13 30.52 1ilf s GLU 89 CO 0.00 -0.56 0.00 2.89 -0.54 0.00 0.00 175.26 177.05 1ilf n ARG 90 N 5.15 0.00 -0.17 4.30 0.00 -1.26 -4.95 116.66 119.74 1ilf n ARG 90 Ca -0.12 0.00 0.07 0.00 -0.00 0.00 0.00 57.85 57.80 1ilf n ARG 90 Cb 0.49 0.00 0.16 0.00 -0.00 0.00 0.00 32.46 33.10 1ilf n ARG 90 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 1ilf n GLU 91 N -0.59 2.37 0.00 2.89 2.13 -1.26 -5.03 120.64 121.14 1ilf n GLU 91 Ca 0.00 -1.97 0.00 0.00 0.66 0.00 0.00 57.16 55.85 1ilf n GLU 91 Cb 0.00 -1.32 0.00 0.00 0.27 0.00 0.00 31.44 30.39 1ilf n GLU 91 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1ilf n ALA 92 N 0.77 0.00 0.60 4.31 0.00 -1.26 -5.00 120.51 119.92 1ilf n ALA 92 Ca 0.13 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.68 1ilf n ALA 92 Cb 0.44 0.00 0.45 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 -0.01 -1.33 3.69 0.00 0.00 -1.26 -4.70 105.19 101.57 1ilf n GLY 93 Ca 0.00 -0.02 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.11 2.11 -0.20 1.61 3.01 -1.26 -4.39 119.74 117.50 1ilf s LYS 94 Ca 0.08 -2.32 0.01 0.00 -1.01 0.00 0.00 55.97 52.73 1ilf s LYS 94 Cb 0.12 -1.30 0.02 0.00 -1.01 0.00 0.00 37.83 35.66 1ilf s LYS 94 CO 0.42 -0.37 -0.16 0.54 0.51 0.00 0.00 175.35 176.30 1ilf s VAL 95 N -2.95 2.26 0.11 3.17 0.11 -0.93 -4.58 120.40 117.59 1ilf s VAL 95 Ca 0.13 -1.03 0.00 0.00 -2.93 0.00 0.00 61.98 58.15 1ilf s VAL 95 Cb 0.03 -2.04 -0.04 0.00 -1.53 0.00 0.00 36.38 32.79 1ilf s VAL 95 CO 0.07 0.40 0.27 -0.72 -3.33 0.00 0.00 175.10 171.79 1ilf s TYR 96 N 1.28 3.50 0.16 1.54 -0.85 -1.13 -1.87 117.35 119.98 1ilf s TYR 96 Ca 0.02 0.24 0.00 0.00 -0.52 0.00 0.00 57.07 56.81 1ilf s TYR 96 Cb -0.15 -1.76 -0.04 0.00 0.38 0.00 0.00 41.96 40.40 1ilf s TYR 96 CO -0.10 0.53 0.05 -0.51 -1.52 0.00 0.00 175.55 174.00 1ilf s LEU 97 N -2.85 1.82 -0.10 -3.49 1.02 -0.14 -2.12 118.68 112.81 1ilf s LEU 97 Ca 0.36 -1.23 -0.04 0.00 0.02 0.00 0.00 54.13 53.23 1ilf s LEU 97 Cb -0.12 0.16 0.05 0.00 0.02 0.00 0.00 46.19 46.30 1ilf s LEU 97 CO 0.28 -0.69 0.21 -0.75 0.02 0.00 0.00 176.35 175.43 1ilf s LYS 98 N -4.01 0.13 -0.01 1.70 2.36 0.18 -2.10 119.74 117.99 1ilf s LYS 98 Ca 0.27 0.59 0.00 0.00 -2.55 0.00 0.00 55.97 54.28 1ilf s LYS 98 Cb 0.07 -0.14 0.01 0.00 -1.05 0.00 0.00 37.83 36.72 1ilf s LYS 98 CO 0.05 -0.24 -0.00 0.00 1.55 0.00 0.00 175.35 176.70 1ilf s ALA 99 N 1.88 0.13 -0.29 3.13 0.00 -0.45 -3.97 121.76 122.19 1ilf s ALA 99 Ca -0.03 0.05 -0.19 0.00 0.00 0.00 0.00 51.96 51.79 1ilf s ALA 99 Cb -0.12 -0.11 -0.02 0.00 0.00 0.00 0.00 23.12 22.88 1ilf s ALA 99 CO -0.07 -0.01 0.56 -1.25 0.00 0.00 0.00 175.76 174.98 1ilf s PRO 100 N 0.33 3.95 0.29 0.00 0.04 -1.26 -0.53 135.00 137.82 1ilf s PRO 100 Ca -0.03 0.25 0.02 0.00 0.04 0.00 0.00 61.00 61.28 1ilf s PRO 100 Cb -0.05 -3.70 -0.05 0.00 0.04 0.00 0.00 34.50 30.75 1ilf s PRO 100 CO -0.01 -0.47 0.12 0.00 0.04 0.00 0.00 177.00 176.68 1ilf s MET 101 N 2.43 1.53 -0.43 4.56 0.23 0.36 -4.90 119.30 123.09 1ilf s MET 101 Ca 0.22 -1.86 -0.11 0.00 -1.03 0.00 0.00 55.69 52.92 1ilf s MET 101 Cb -0.15 -0.27 0.07 0.00 -1.53 0.00 0.00 34.83 32.95 1ilf s MET 101 CO 0.11 -0.36 0.29 0.42 -2.03 0.00 0.00 175.02 173.45 1ilf s ILE 102 N -3.63 4.54 0.07 3.16 -1.09 -1.26 -0.50 121.20 122.49 1ilf s ILE 102 Ca 0.36 -1.23 0.01 0.00 -2.23 0.00 0.00 60.65 57.57 1ilf s ILE 102 Cb 0.06 -3.72 -0.04 0.00 -1.58 0.00 0.00 42.46 37.18 1ilf s ILE 102 CO 0.15 -0.48 0.16 -0.76 -1.23 0.00 0.00 174.94 172.78 1ilf s LEU 103 N 1.50 4.12 0.00 2.97 1.43 -0.21 -4.83 118.68 123.66 1ilf s LEU 103 Ca 0.03 0.15 0.00 0.00 -1.03 0.00 0.00 54.13 53.28 1ilf s LEU 103 Cb -0.23 -2.76 0.00 0.00 0.03 0.00 0.00 46.19 43.24 1ilf s LEU 103 CO 0.04 0.17 0.00 0.59 0.23 0.00 0.00 176.35 177.38 1ilf n ASN 104 N 0.34 0.00 -4.17 2.29 4.13 -1.26 0.12 115.26 116.70 1ilf n ASN 104 Ca -0.07 0.00 -0.32 0.00 1.68 0.00 0.00 54.58 55.87 1ilf n ASN 104 Cb 0.51 0.00 -0.06 0.00 -1.54 0.00 0.00 39.78 38.70 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 0.02 -0.29 3.57 7.41 0.00 -1.26 -4.94 105.19 109.70 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 -4.12 0.00 -0.43 1.61 1.01 0.32 -3.21 120.40 115.58 1ilf s VAL 106 Ca 0.09 0.00 -0.24 0.00 0.00 0.00 0.00 61.98 61.83 1ilf s VAL 106 Cb -0.05 -1.00 0.02 0.00 0.00 0.00 0.00 36.38 35.35 1ilf s VAL 106 CO 0.96 0.00 0.85 0.00 0.00 0.00 0.00 175.10 176.92 1ilf s VAL 108 N 3.44 1.98 -0.09 0.00 -7.23 0.35 -2.14 120.40 116.71 1ilf s VAL 108 Ca 0.34 -1.88 -0.03 0.00 -1.81 0.00 0.00 61.98 58.59 1ilf s VAL 108 Cb -0.12 -2.86 0.05 0.00 0.56 0.00 0.00 36.38 34.01 1ilf s VAL 108 CO 0.22 0.00 0.16 -0.63 -0.31 0.00 0.00 175.10 174.54 1ilf s ILE 109 N -2.70 -0.25 -0.08 -0.62 1.01 0.25 -0.49 121.20 118.33 1ilf s ILE 109 Ca 0.33 0.31 -0.20 0.00 0.00 0.00 0.00 60.65 61.10 1ilf s ILE 109 Cb 0.06 -0.32 -0.04 0.00 0.01 0.00 0.00 42.46 42.17 1ilf s ILE 109 CO 0.18 0.11 0.56 0.86 0.00 0.00 0.00 174.94 176.65 1ilf s TRP 110 N 2.28 3.57 -0.04 3.97 -0.00 0.31 -0.27 118.94 128.76 1ilf s TRP 110 Ca 0.03 1.05 -0.00 0.00 -0.00 0.00 0.00 56.10 57.18 1ilf s TRP 110 Cb -0.12 -2.62 0.03 0.00 -0.00 0.00 0.00 33.47 30.75 1ilf s TRP 110 CO -0.06 0.20 0.00 0.15 -0.00 0.00 0.00 176.95 177.25 1ilf s LYS 111 N 0.44 0.38 -0.26 5.86 3.01 0.58 -1.34 119.74 128.42 1ilf s LYS 111 Ca 0.30 0.11 -0.37 0.00 -1.01 0.00 0.00 55.97 55.00 1ilf s LYS 111 Cb -0.16 -0.65 0.16 0.00 -1.01 0.00 0.00 37.83 36.16 1ilf s LYS 111 CO 0.14 -0.20 1.33 0.20 0.51 0.00 0.00 175.35 177.33 1ilf s GLY 112 N 1.41 -0.20 0.24 -3.33 0.00 -0.89 0.33 107.32 104.88 1ilf s GLY 112 Ca -0.04 1.93 0.11 0.00 0.00 0.00 0.00 44.72 46.72 1ilf s GLY 112 CO -0.03 0.66 -0.19 0.66 0.00 0.00 0.00 173.10 174.21 1ilf s TRP 113 N -2.03 2.36 0.08 1.90 1.48 -0.49 -0.96 118.94 121.27 1ilf s TRP 113 Ca 0.11 -0.32 0.07 0.00 -1.06 0.00 0.00 56.10 54.90 1ilf s TRP 113 Cb -0.01 -1.09 -0.03 0.00 -1.16 0.00 0.00 33.47 31.18 1ilf s TRP 113 CO -0.03 0.61 -0.20 0.96 -4.06 0.00 0.00 176.95 174.23 1ilf s ILE 114 N -2.10 1.61 0.08 0.66 -0.00 -0.78 -1.36 121.20 119.30 1ilf s ILE 114 Ca 0.26 -1.37 -0.24 0.00 -0.00 0.00 0.00 60.65 59.30 1ilf s ILE 114 Cb -0.07 -1.44 -0.06 0.00 -0.00 0.00 0.00 42.46 40.89 1ilf s ILE 114 CO 0.14 0.02 0.73 1.51 -0.00 0.00 0.00 174.94 177.33 1ilf s ASP 115 N -1.60 7.22 0.00 4.36 -4.77 -0.74 -2.19 116.67 118.96 1ilf s ASP 115 Ca 0.06 1.45 0.00 0.00 -3.30 0.00 0.00 52.55 50.76 1ilf s ASP 115 Cb -0.09 -2.45 0.00 0.00 -1.09 0.00 0.00 42.92 39.28 1ilf s ASP 115 CO 0.03 0.11 0.70 0.18 0.70 0.00 0.00 175.17 176.89 1ilf n LEU 116 N 2.31 0.33 0.00 2.11 4.77 -1.26 -0.78 117.00 124.48 1ilf n LEU 116 Ca -0.05 -0.17 -0.02 0.00 -0.03 0.00 0.00 56.01 55.75 1ilf n LEU 116 Cb 0.50 -0.17 -0.01 0.00 -2.33 0.00 0.00 43.42 41.42 1ilf n LEU 116 CO 0.46 0.08 -0.12 1.41 -1.33 0.00 0.00 177.39 177.90 1ilf n HIS 117 N -0.28 0.00 0.75 -1.77 8.25 -1.26 -4.77 115.22 116.14 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 0.08 -0.08 0.22 0.00 1.12 0.00 0.00 29.99 31.32 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 -3.14 0.17 -3.11 -0.41 1.74 -1.26 -4.95 116.66 105.70 1ilf n ARG 118 Ca -0.02 0.05 -0.15 0.00 -0.77 0.00 0.00 57.85 56.95 1ilf n ARG 118 Cb 0.09 -1.60 0.05 0.00 -1.02 0.00 0.00 32.46 29.97 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 -1.85 -2.77 -3.85 0.55 4.77 0.04 -4.94 117.00 108.95 1ilf n LEU 119 Ca 0.04 -0.31 -0.12 0.00 -0.03 0.00 0.00 56.01 55.59 1ilf n LEU 119 Cb 0.40 -2.14 -0.14 0.00 -2.33 0.00 0.00 43.42 39.21 1ilf n LEU 119 CO 0.36 0.37 -0.31 -1.81 -1.33 0.00 0.00 177.39 174.66 1ilf s ASP 120 N -3.12 -0.04 0.00 -1.43 1.11 -1.23 -2.03 116.67 109.92 1ilf s ASP 120 Ca 0.34 0.09 0.00 0.00 0.18 0.00 0.00 52.55 53.16 1ilf s ASP 120 Cb -0.15 0.08 0.00 0.00 1.07 0.00 0.00 42.92 43.92 1ilf s ASP 120 CO 0.42 -0.02 0.00 0.61 1.18 0.00 0.00 175.17 177.36 1ilf n GLY 121 N 3.11 4.68 2.92 0.21 0.00 -0.54 -1.79 105.19 113.78 1ilf n GLY 121 Ca -0.13 -0.51 -0.21 0.00 0.00 0.00 0.00 46.02 45.17 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 4.93 1.01 0.36 1.61 -1.94 -0.46 -1.70 119.30 123.11 1ilf s MET 122 Ca 0.00 -0.16 0.01 0.00 -1.71 0.00 0.00 55.69 53.83 1ilf s MET 122 Cb 0.00 -0.97 0.01 0.00 2.01 0.00 0.00 34.83 35.88 1ilf s MET 122 CO 0.00 -0.07 0.10 0.41 -0.01 0.00 0.00 175.02 175.45 1ilf n GLY 123 N 4.05 3.44 3.64 -0.03 0.00 -0.34 -1.40 105.19 114.55 1ilf n GLY 123 Ca -0.24 -2.30 -0.04 0.00 0.00 0.00 0.00 46.02 43.45 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 -0.32 4.25 0.08 0.00 1.43 -0.75 -0.30 118.68 123.07 1ilf s LEU 125 Ca 0.07 0.16 -0.13 0.00 -1.03 0.00 0.00 54.13 53.20 1ilf s LEU 125 Cb -0.04 -2.96 0.02 0.00 0.03 0.00 0.00 46.19 43.24 1ilf s LEU 125 CO -0.12 -0.11 0.29 -0.70 0.23 0.00 0.00 176.35 175.94 1ilf s GLU 126 N -4.02 0.89 -0.11 1.70 2.12 0.62 -4.18 118.70 115.72 1ilf s GLU 126 Ca 0.35 -0.70 0.01 0.00 0.36 0.00 0.00 54.97 54.99 1ilf s GLU 126 Cb -0.09 0.38 -0.02 0.00 0.26 0.00 0.00 34.13 34.66 1ilf s GLU 126 CO 0.30 -0.31 -0.12 0.12 -0.54 0.00 0.00 175.26 174.72 1ilf s PHE 127 N -3.31 2.81 -0.36 5.30 2.19 -1.26 0.86 117.98 124.21 1ilf s PHE 127 Ca 0.00 -0.44 -0.21 0.00 0.33 0.00 0.00 56.93 56.61 1ilf s PHE 127 Cb 0.02 -1.79 0.01 0.00 -1.31 0.00 0.00 43.02 39.94 1ilf s PHE 127 CO -0.08 -0.06 0.68 0.16 1.83 0.00 0.00 175.22 177.75 1ilf s ASP 128 N -0.00 6.46 0.00 6.13 1.47 -0.91 -4.91 116.67 124.91 1ilf s ASP 128 Ca -0.03 0.18 0.29 0.00 1.18 0.00 0.00 52.55 54.17 1ilf s ASP 128 Cb -0.14 -2.35 1.30 0.00 -0.34 0.00 0.00 42.92 41.39 1ilf s ASP 128 CO 0.04 -0.65 1.90 -0.62 0.68 0.00 0.00 175.17 176.52 1ilf n GLU 129 N 6.17 0.80 -0.08 2.11 1.02 -1.26 -2.21 120.64 127.19 1ilf n GLU 129 Ca 0.00 -0.26 -0.15 0.00 -0.02 0.00 0.00 57.16 56.73 1ilf n GLU 129 Cb 0.48 -1.49 -0.11 0.00 -0.02 0.00 0.00 31.44 30.30 1ilf n GLU 129 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 1ilf h GLU 130 N 0.64 0.00 0.09 3.49 4.11 -1.99 -3.18 114.58 117.75 1ilf h GLU 130 Ca 0.00 0.00 -0.27 0.00 0.07 0.00 0.00 59.36 59.16 1ilf h GLU 130 Cb 0.33 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 1ilf h GLU 130 CO 0.00 0.84 -1.33 -0.09 0.07 0.00 0.00 179.01 178.50 1ilf h ARG 131 N -1.00 0.19 -0.34 1.06 2.43 -1.98 -3.28 114.38 111.46 1ilf h ARG 131 Ca -0.12 -0.32 -0.06 0.00 -0.81 0.00 0.00 59.98 58.67 1ilf h ARG 131 Cb 0.98 0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.63 1ilf h ARG 131 CO -0.08 1.08 -0.03 0.00 -1.51 0.00 0.00 179.97 179.43 1ilf h ALA 132 N 0.67 1.32 -0.25 2.80 0.00 -1.63 -2.82 119.26 119.34 1ilf h ALA 132 Ca -0.16 -0.22 -0.18 0.00 0.00 0.00 0.00 54.91 54.35 1ilf h ALA 132 Cb 1.95 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 19.59 1ilf h ALA 132 CO 0.16 0.46 -0.56 1.96 0.00 0.00 0.00 179.25 181.27 1ilf h GLN 133 N 0.51 0.78 -0.05 0.00 4.20 -1.65 -3.11 115.11 115.80 1ilf h GLN 133 Ca 0.10 -0.50 -0.06 0.00 0.06 0.00 0.00 58.65 58.26 1ilf h GLN 133 Cb 0.38 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.21 1ilf h GLN 133 CO 0.02 1.13 -0.24 -0.56 -0.67 0.00 0.00 178.83 178.51 1ilf h GLN 134 N 0.60 0.08 -0.96 1.46 3.07 -1.57 -2.05 115.11 115.73 1ilf h GLN 134 Ca 0.01 -0.02 0.12 0.00 0.09 0.00 0.00 58.65 58.85 1ilf h GLN 134 Cb 1.15 -0.01 -0.08 0.00 0.08 0.00 0.00 27.48 28.62 1ilf h GLN 134 CO 0.12 0.32 0.61 0.93 0.09 0.00 0.00 178.83 180.90 1ilf h GLU 135 N 0.07 0.89 -0.18 0.06 4.39 -1.43 0.86 114.58 119.24 1ilf h GLU 135 Ca 0.01 -0.05 -0.17 0.00 0.34 0.00 0.00 59.36 59.49 1ilf h GLU 135 Cb 0.47 -0.20 -0.00 0.00 -0.10 0.00 0.00 28.75 28.91 1ilf h GLU 135 CO 0.03 0.59 -0.59 -0.44 -1.16 0.00 0.00 179.01 177.44 1ilf h ASP 136 N 0.91 0.65 -0.07 1.42 5.19 -1.48 0.25 116.42 123.28 1ilf h ASP 136 Ca 0.48 -0.36 -0.02 0.00 -0.62 0.00 0.00 57.03 56.51 1ilf h ASP 136 Cb 0.53 -0.19 -0.00 0.00 0.18 0.00 0.00 39.33 39.85 1ilf h ASP 136 CO -0.24 1.09 -0.02 0.00 -3.12 0.00 0.00 179.24 176.95 1ilf h ALA 137 N 0.92 0.10 -0.23 3.45 0.00 -0.22 0.21 119.26 123.48 1ilf h ALA 137 Ca -0.00 -0.22 -0.20 0.00 0.00 0.00 0.00 54.91 54.49 1ilf h ALA 137 Cb 1.15 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1ilf h ALA 137 CO 0.11 -0.16 -0.64 -0.07 0.00 0.00 0.00 179.25 178.49 1ilf h LEU 138 N -0.20 0.95 -1.21 0.00 3.38 0.54 -2.89 115.31 115.87 1ilf h LEU 138 Ca 0.02 -0.55 -0.02 0.00 0.09 0.00 0.00 57.88 57.42 1ilf h LEU 138 Cb 0.44 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 1ilf h LEU 138 CO 0.01 1.35 -0.08 0.00 0.09 0.00 0.00 178.44 179.80 1ilf h ALA 139 N 0.66 1.01 -3.23 1.53 0.00 -0.53 -3.39 119.26 115.31 1ilf h ALA 139 Ca -0.01 -0.08 -0.57 0.00 0.00 0.00 0.00 54.91 54.25 1ilf h ALA 139 Cb 1.25 -0.01 -0.40 0.00 0.00 0.00 0.00 17.79 18.63 1ilf h ALA 139 CO 0.14 0.11 -0.76 -0.65 0.00 0.00 0.00 179.25 178.08 1ilf s GLN 140 N -3.62 0.79 0.00 0.00 -1.52 0.72 -5.03 119.66 111.00 1ilf s GLN 140 Ca 0.01 -0.92 0.10 0.00 -1.95 0.00 0.00 55.36 52.60 1ilf s GLN 140 Cb 0.09 -2.08 0.08 0.00 -0.22 0.00 0.00 33.01 30.88 1ilf s GLN 140 CO 0.59 -0.87 0.81 1.04 -0.25 0.00 0.00 175.29 176.60