#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b9l s GLN 3 N 0.00 2.67 0.00 0.00 2.00 -1.26 -5.02 119.66 118.05 1b9l s GLN 3 Ca 0.00 -3.11 0.00 0.00 -2.00 0.00 0.00 55.36 50.25 1b9l s GLN 3 Cb 0.00 -3.63 0.00 0.00 0.80 0.00 0.00 33.01 30.18 1b9l s GLN 3 CO 0.00 -1.24 0.09 -2.30 -0.50 0.00 0.00 175.29 171.34 1b9l n PRO 4 N 2.46 0.00 -3.52 1.67 -0.02 -1.26 -4.73 135.00 129.60 1b9l n PRO 4 Ca 0.16 -0.02 -0.17 0.00 -2.02 0.00 0.00 63.50 61.45 1b9l n PRO 4 Cb 0.36 -0.80 -0.13 0.00 -0.02 0.00 0.00 33.50 32.90 1b9l n PRO 4 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1b9l s ALA 5 N 0.79 -0.37 -0.05 3.55 0.00 -1.26 -2.93 121.76 121.49 1b9l s ALA 5 Ca 0.00 0.43 -0.22 0.00 0.00 0.00 0.00 51.96 52.18 1b9l s ALA 5 Cb 0.00 -1.26 -0.04 0.00 0.00 0.00 0.00 23.12 21.81 1b9l s ALA 5 CO 0.00 -1.08 0.63 0.00 0.00 0.00 0.00 175.76 175.31 1b9l s ALA 6 N 2.35 3.41 -0.14 0.00 0.00 0.15 -4.80 121.76 122.74 1b9l s ALA 6 Ca 0.06 0.04 -0.02 0.00 0.00 0.00 0.00 51.96 52.05 1b9l s ALA 6 Cb -0.15 -2.83 -0.02 0.00 0.00 0.00 0.00 23.12 20.12 1b9l s ALA 6 CO -0.11 0.01 -0.09 0.42 0.00 0.00 0.00 175.76 175.99 1b9l s ILE 7 N 0.40 3.44 -0.17 0.00 1.01 -1.26 -2.38 121.20 122.23 1b9l s ILE 7 Ca 0.33 -0.53 -0.01 0.00 0.00 0.00 0.00 60.65 60.45 1b9l s ILE 7 Cb -0.17 -2.47 -0.00 0.00 0.01 0.00 0.00 42.46 39.82 1b9l s ILE 7 CO 0.17 0.51 -0.13 -0.63 0.00 0.00 0.00 174.94 174.86 1b9l s ILE 8 N 0.30 2.82 -0.08 2.92 1.01 -0.11 -4.97 121.20 123.09 1b9l s ILE 8 Ca -0.07 -0.70 0.04 0.00 0.00 0.00 0.00 60.65 59.91 1b9l s ILE 8 Cb -0.15 -2.22 -0.01 0.00 0.01 0.00 0.00 42.46 40.09 1b9l s ILE 8 CO 0.04 0.50 -0.21 -0.13 0.00 0.00 0.00 174.94 175.14 1b9l s ARG 9 N 0.98 2.86 -0.41 2.79 0.52 -1.26 -1.17 118.95 123.25 1b9l s ARG 9 Ca -0.02 -0.83 -0.09 0.00 -0.52 0.00 0.00 55.73 54.27 1b9l s ARG 9 Cb -0.15 -2.32 0.07 0.00 0.52 0.00 0.00 34.95 33.08 1b9l s ARG 9 CO -0.02 0.32 0.24 0.42 0.02 0.00 0.00 175.30 176.27 1b9l s ILE 10 N 0.02 4.16 -0.19 1.52 1.01 0.08 -5.00 121.20 122.79 1b9l s ILE 10 Ca -0.08 -1.37 -0.18 0.00 0.00 0.00 0.00 60.65 59.03 1b9l s ILE 10 Cb -0.15 -3.52 -0.03 0.00 0.01 0.00 0.00 42.46 38.76 1b9l s ILE 10 CO 0.05 -0.46 0.49 -0.54 0.00 0.00 0.00 174.94 174.48 1b9l s LYS 11 N 1.42 4.20 -1.08 2.79 1.02 -1.26 -1.96 119.74 124.87 1b9l s LYS 11 Ca 0.03 0.38 -0.17 0.00 0.02 0.00 0.00 55.97 56.22 1b9l s LYS 11 Cb -0.22 -3.55 -0.01 0.00 -0.52 0.00 0.00 37.83 33.53 1b9l s LYS 11 CO 0.02 -0.10 0.78 0.09 -0.92 0.00 0.00 175.35 175.23 1b9l n ASN 12 N 4.62 -5.60 -4.62 2.83 5.03 -1.10 -4.89 115.26 111.53 1b9l n ASN 12 Ca -0.06 -0.92 -0.43 0.00 0.87 0.00 0.00 54.58 54.04 1b9l n ASN 12 Cb 0.51 -3.52 -0.02 0.00 -1.02 0.00 0.00 39.78 35.72 1b9l n ASN 12 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 1b9l s LEU 13 N -6.10 3.77 -0.30 3.41 2.96 0.77 -4.81 118.68 118.38 1b9l s LEU 13 Ca 0.41 0.96 -0.14 0.00 -0.22 0.00 0.00 54.13 55.14 1b9l s LEU 13 Cb -0.14 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 42.98 1b9l s LEU 13 CO 0.85 -1.18 0.34 -0.13 -1.32 0.00 0.00 176.35 174.91 1b9l s ARG 14 N 4.36 3.80 0.25 1.98 0.52 -1.26 -0.51 118.95 128.09 1b9l s ARG 14 Ca 0.55 -0.22 0.02 0.00 -0.52 0.00 0.00 55.73 55.56 1b9l s ARG 14 Cb -0.14 -3.72 -0.05 0.00 0.52 0.00 0.00 34.95 31.56 1b9l s ARG 14 CO 0.26 -0.38 0.08 -0.51 0.02 0.00 0.00 175.30 174.77 1b9l s LEU 15 N 2.01 1.76 -0.05 2.53 1.02 -0.95 -5.04 118.68 119.96 1b9l s LEU 15 Ca 0.12 -1.36 0.03 0.00 0.02 0.00 0.00 54.13 52.95 1b9l s LEU 15 Cb -0.16 -0.04 0.01 0.00 0.02 0.00 0.00 46.19 46.02 1b9l s LEU 15 CO 0.11 -0.69 -0.13 -0.13 0.02 0.00 0.00 176.35 175.53 1b9l s ARG 16 N -4.00 1.48 0.37 1.70 0.52 -1.26 -1.85 118.95 115.90 1b9l s ARG 16 Ca 0.36 -0.43 -0.15 0.00 -0.52 0.00 0.00 55.73 54.98 1b9l s ARG 16 Cb 0.08 -1.28 0.05 0.00 0.52 0.00 0.00 34.95 34.31 1b9l s ARG 16 CO 0.13 0.11 0.76 -0.08 0.02 0.00 0.00 175.30 176.24 1b9l s THR 17 N 0.34 0.00 -0.36 0.02 -1.32 -1.00 -4.70 115.64 108.62 1b9l s THR 17 Ca -0.08 -1.04 -0.16 0.00 -1.21 0.00 0.00 61.69 59.20 1b9l s THR 17 Cb -0.12 -2.76 -0.00 0.00 -1.51 0.00 0.00 72.50 68.10 1b9l s THR 17 CO 0.02 0.00 0.40 -0.36 -2.21 0.00 0.00 174.62 172.48 1b9l s PHE 18 N -2.55 3.19 -0.14 9.09 0.08 -1.26 -0.36 117.98 126.04 1b9l s PHE 18 Ca 0.16 -0.09 0.01 0.00 0.12 0.00 0.00 56.93 57.12 1b9l s PHE 18 Cb -0.05 -2.77 0.02 0.00 -0.57 0.00 0.00 43.02 39.66 1b9l s PHE 18 CO 0.11 -0.52 -0.15 0.42 -0.10 0.00 0.00 175.22 174.99 1b9l s ILE 19 N 2.10 1.57 0.00 0.64 1.01 -1.25 0.37 121.20 125.64 1b9l s ILE 19 Ca 0.13 -0.64 0.00 0.00 0.00 0.00 0.00 60.65 60.14 1b9l s ILE 19 Cb -0.17 -1.46 0.00 0.00 0.01 0.00 0.00 42.46 40.84 1b9l s ILE 19 CO 0.12 0.46 0.00 0.61 0.00 0.00 0.00 174.94 176.13 1b9l n GLY 20 N 4.65 1.06 0.00 6.18 0.00 0.20 -4.74 105.19 112.54 1b9l n GLY 20 Ca -0.17 -2.13 0.00 0.00 0.00 0.00 0.00 46.02 43.72 1b9l n GLY 20 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1b9l n ILE 21 N -1.50 0.00 -1.92 -0.61 -0.00 -1.26 -4.44 119.36 109.62 1b9l n ILE 21 Ca 0.00 0.00 -0.39 0.00 -0.00 0.00 0.00 62.75 62.36 1b9l n ILE 21 Cb 0.00 0.10 0.02 0.00 -0.00 0.00 0.00 39.64 39.76 1b9l n ILE 21 CO 0.00 0.00 0.00 -0.54 -0.00 0.00 0.00 176.55 176.01 1b9l s LYS 22 N -1.50 3.53 0.22 6.28 1.02 -1.26 -4.70 119.74 123.33 1b9l s LYS 22 Ca 0.00 2.18 -0.19 0.00 0.02 0.00 0.00 55.97 57.97 1b9l s LYS 22 Cb 0.00 -2.47 0.20 0.00 -0.52 0.00 0.00 37.83 35.05 1b9l s LYS 22 CO 0.00 -0.86 1.55 0.93 -0.92 0.00 0.00 175.35 176.05 1b9l h GLU 23 N 1.98 -0.01 -0.29 1.68 4.39 -1.98 0.13 114.58 120.49 1b9l h GLU 23 Ca -0.50 0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.22 1b9l h GLU 23 Cb 1.27 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.90 1b9l h GLU 23 CO 0.60 -0.01 0.14 1.49 -1.16 0.00 0.00 179.01 180.07 1b9l h GLU 24 N -0.01 0.28 -0.95 2.33 4.81 -1.97 -0.52 114.58 118.55 1b9l h GLU 24 Ca 0.32 -0.02 0.09 0.00 -0.13 0.00 0.00 59.36 59.63 1b9l h GLU 24 Cb 0.58 -0.06 -0.07 0.00 0.63 0.00 0.00 28.75 29.82 1b9l h GLU 24 CO -0.97 0.19 0.60 0.93 -0.73 0.00 0.00 179.01 179.02 1b9l h GLU 25 N 0.29 0.98 0.00 1.92 5.08 -1.31 -0.33 114.58 121.22 1b9l h GLU 25 Ca 0.12 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1b9l h GLU 25 Cb 0.05 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.08 1b9l h GLU 25 CO -0.09 0.65 -0.37 -0.84 -1.00 0.00 0.00 179.01 177.36 1b9l h ILE 26 N 1.01 0.00 0.00 3.13 3.07 -0.81 -3.34 117.51 120.57 1b9l h ILE 26 Ca 0.45 -0.54 -0.16 0.00 1.55 0.00 0.00 64.86 66.15 1b9l h ILE 26 Cb 0.33 1.30 -0.03 0.00 -0.27 0.00 0.00 36.82 38.15 1b9l h ILE 26 CO -0.22 0.00 -1.71 0.59 -1.05 0.00 0.00 178.15 175.76 1b9l n ASN 27 N -2.26 0.49 -4.09 2.16 3.02 -0.23 -4.93 115.26 109.42 1b9l n ASN 27 Ca 0.04 0.21 -0.24 0.00 -0.03 0.00 0.00 54.58 54.57 1b9l n ASN 27 Cb 0.45 0.76 -0.16 0.00 -0.61 0.00 0.00 39.78 40.22 1b9l n ASN 27 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1b9l s ASN 28 N -5.41 1.78 0.55 6.41 -0.87 -0.22 -5.08 114.94 112.10 1b9l s ASN 28 Ca -0.05 -0.28 -0.19 0.00 -1.57 0.00 0.00 52.86 50.76 1b9l s ASN 28 Cb 0.09 -0.42 -0.05 0.00 -0.02 0.00 0.00 41.25 40.85 1b9l s ASN 28 CO 0.83 0.13 1.14 -0.13 -2.57 0.00 0.00 177.10 176.51 1b9l s ARG 29 N -0.01 3.29 0.22 -0.60 0.52 -1.26 -4.67 118.95 116.44 1b9l s ARG 29 Ca -0.01 1.64 0.11 0.00 -0.52 0.00 0.00 55.73 56.96 1b9l s ARG 29 Cb -0.09 -1.99 -0.05 0.00 0.52 0.00 0.00 34.95 33.34 1b9l s ARG 29 CO 0.01 -0.91 -0.22 -0.65 0.02 0.00 0.00 175.30 173.56 1b9l s GLN 30 N -3.30 1.61 0.02 3.54 -0.21 0.52 -4.85 119.66 116.98 1b9l s GLN 30 Ca 0.73 -1.60 -0.25 0.00 0.02 0.00 0.00 55.36 54.26 1b9l s GLN 30 Cb -0.25 -1.84 -0.05 0.00 1.00 0.00 0.00 33.01 31.88 1b9l s GLN 30 CO 0.28 0.38 0.78 -0.51 -2.12 0.00 0.00 175.29 174.10 1b9l s ASP 31 N -2.99 7.19 0.11 5.90 1.01 -1.26 -2.38 116.67 124.24 1b9l s ASP 31 Ca 0.24 1.43 0.04 0.00 0.71 0.00 0.00 52.55 54.97 1b9l s ASP 31 Cb -0.07 -2.47 -0.04 0.00 1.01 0.00 0.00 42.92 41.35 1b9l s ASP 31 CO 0.12 -0.05 -0.11 0.27 0.21 0.00 0.00 175.17 175.61 1b9l s ILE 32 N 0.26 1.06 -0.09 0.77 -4.36 -0.77 -1.64 121.20 116.42 1b9l s ILE 32 Ca 0.40 -1.69 0.00 0.00 -0.26 0.00 0.00 60.65 59.11 1b9l s ILE 32 Cb -0.20 -1.44 0.02 0.00 1.25 0.00 0.00 42.46 42.09 1b9l s ILE 32 CO 0.23 -0.54 -0.08 -0.69 0.24 0.00 0.00 174.94 174.10 1b9l s VAL 33 N -2.43 0.99 -0.03 8.37 1.01 -0.84 -2.23 120.40 125.24 1b9l s VAL 33 Ca 0.07 -0.31 0.01 0.00 0.00 0.00 0.00 61.98 61.75 1b9l s VAL 33 Cb -0.03 -0.98 -0.03 0.00 0.00 0.00 0.00 36.38 35.33 1b9l s VAL 33 CO 0.01 0.35 -0.02 -0.63 0.00 0.00 0.00 175.10 174.81 1b9l s ILE 34 N 1.36 4.06 -0.08 2.22 1.01 0.34 -0.86 121.20 129.25 1b9l s ILE 34 Ca -0.02 -0.54 -0.01 0.00 0.00 0.00 0.00 60.65 60.08 1b9l s ILE 34 Cb -0.14 -2.77 0.03 0.00 0.01 0.00 0.00 42.46 39.59 1b9l s ILE 34 CO -0.04 0.45 -0.02 0.20 0.00 0.00 0.00 174.94 175.53 1b9l s ASN 35 N -1.31 1.73 -0.12 3.58 -0.87 -0.51 -0.16 114.94 117.27 1b9l s ASN 35 Ca 0.17 -0.14 0.01 0.00 -1.57 0.00 0.00 52.86 51.33 1b9l s ASN 35 Cb -0.11 -0.54 -0.01 0.00 -0.02 0.00 0.00 41.25 40.56 1b9l s ASN 35 CO 0.07 -0.17 -0.15 -0.69 -2.57 0.00 0.00 177.10 173.59 1b9l s VAL 36 N 1.89 2.89 -0.14 1.60 1.01 -0.83 -1.70 120.40 125.13 1b9l s VAL 36 Ca 0.05 -0.72 0.02 0.00 0.00 0.00 0.00 61.98 61.33 1b9l s VAL 36 Cb -0.12 -2.20 0.01 0.00 0.00 0.00 0.00 36.38 34.07 1b9l s VAL 36 CO -0.06 0.53 -0.20 -0.89 0.00 0.00 0.00 175.10 174.48 1b9l s THR 37 N 0.28 1.93 -0.06 3.92 2.01 -0.21 -0.75 115.64 122.76 1b9l s THR 37 Ca -0.11 -0.90 0.04 0.00 0.31 0.00 0.00 61.69 61.03 1b9l s THR 37 Cb -0.16 -1.72 0.00 0.00 0.01 0.00 0.00 72.50 70.63 1b9l s THR 37 CO 0.06 0.52 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.71 1b9l s ILE 38 N 0.91 1.52 0.01 1.82 1.01 -0.32 -0.73 121.20 125.42 1b9l s ILE 38 Ca -0.06 -0.73 0.06 0.00 0.00 0.00 0.00 60.65 59.92 1b9l s ILE 38 Cb -0.15 -1.32 -0.03 0.00 0.01 0.00 0.00 42.46 40.96 1b9l s ILE 38 CO -0.03 0.44 -0.15 -1.00 0.00 0.00 0.00 174.94 174.19 1b9l s HIS 39 N 0.28 2.64 0.18 3.97 3.76 -0.08 -0.93 115.29 125.11 1b9l s HIS 39 Ca -0.10 -0.20 -0.19 0.00 -0.15 0.00 0.00 55.06 54.41 1b9l s HIS 39 Cb -0.14 -1.52 0.04 0.00 1.11 0.00 0.00 32.58 32.06 1b9l s HIS 39 CO 0.04 0.25 0.54 1.52 -0.85 0.00 0.00 174.74 176.25 1b9l s TYR 40 N -0.89 -0.29 -0.04 1.40 1.13 -1.00 -0.73 117.35 116.92 1b9l s TYR 40 Ca 0.14 -0.01 -0.36 0.00 -1.41 0.00 0.00 57.07 55.43 1b9l s TYR 40 Cb -0.11 0.45 -0.14 0.00 -1.10 0.00 0.00 41.96 41.07 1b9l s TYR 40 CO 0.05 -0.88 1.67 -2.30 -2.51 0.00 0.00 175.55 171.58 1b9l n PRO 41 N -0.34 1.72 -0.12 -3.49 -0.02 -1.26 -0.67 135.00 130.82 1b9l n PRO 41 Ca -0.13 0.63 0.01 0.00 -2.02 0.00 0.00 63.50 61.98 1b9l n PRO 41 Cb 0.63 -2.38 0.29 0.00 -0.02 0.00 0.00 33.50 32.02 1b9l n PRO 41 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1b9l h ALA 42 N 7.07 1.47 -0.40 3.55 0.00 -1.84 -2.98 119.26 126.12 1b9l h ALA 42 Ca -0.47 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.32 1b9l h ALA 42 Cb 1.29 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 1b9l h ALA 42 CO 0.90 0.44 0.14 0.38 0.00 0.00 0.00 179.25 181.12 1b9l h ASP 43 N 0.79 0.57 0.31 0.00 2.03 -1.90 -2.63 116.42 115.60 1b9l h ASP 43 Ca 0.20 -0.19 -0.04 0.00 -0.73 0.00 0.00 57.03 56.28 1b9l h ASP 43 Cb 0.03 -0.15 -0.01 0.00 -0.83 0.00 0.00 39.33 38.37 1b9l h ASP 43 CO -0.03 0.60 -0.19 0.11 -1.03 0.00 0.00 179.24 178.70 1b9l h LYS 44 N 0.51 0.00 -0.63 4.15 1.57 -1.93 -2.94 116.57 117.31 1b9l h LYS 44 Ca 0.13 0.00 0.09 0.00 -1.87 0.00 0.00 60.65 59.00 1b9l h LYS 44 Cb 0.22 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.47 1b9l h LYS 44 CO -0.01 0.19 0.27 0.00 -0.57 0.00 0.00 179.45 179.34 1b9l h ALA 45 N 1.81 0.83 0.00 3.86 0.00 -1.32 0.22 119.26 124.65 1b9l h ALA 45 Ca -0.00 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1b9l h ALA 45 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1b9l h ALA 45 CO 0.03 -0.13 0.00 -2.13 0.00 0.00 0.00 179.25 177.02 1b9l n ARG 46 N -4.94 0.20 -1.02 0.00 3.00 -1.11 -2.69 116.66 110.11 1b9l n ARG 46 Ca 0.09 0.13 -0.11 0.00 -0.00 0.00 0.00 57.85 57.96 1b9l n ARG 46 Cb 0.25 -1.50 0.17 0.00 0.00 0.00 0.00 32.46 31.38 1b9l n ARG 46 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.63 180.04 1b9l n THR 47 N -1.34 2.72 0.65 5.15 -1.04 0.76 -4.75 114.28 116.44 1b9l n THR 47 Ca 0.08 -2.82 0.09 0.00 -2.04 0.00 0.00 64.05 59.36 1b9l n THR 47 Cb 0.16 -0.48 0.39 0.00 -1.82 0.00 0.00 70.33 68.59 1b9l n THR 47 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1b9l n SER 48 N -1.08 0.00 -0.10 8.00 2.88 -1.09 -2.16 113.62 120.07 1b9l n SER 48 Ca 0.40 0.44 -0.19 0.00 -1.33 0.00 0.00 58.87 58.19 1b9l n SER 48 Cb 1.08 -0.47 -0.07 0.00 -0.75 0.00 0.00 64.21 63.99 1b9l n SER 48 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1b9l n GLU 49 N -1.47 0.43 0.12 -1.46 4.71 -1.26 -4.71 120.64 116.99 1b9l n GLU 49 Ca 0.05 0.16 -0.09 0.00 -0.01 0.00 0.00 57.16 57.27 1b9l n GLU 49 Cb 0.20 -1.24 -0.05 0.00 -1.01 0.00 0.00 31.44 29.34 1b9l n GLU 49 CO 0.00 0.00 0.00 0.22 0.09 0.00 0.00 177.13 177.44 1b9l h ASP 50 N -0.52 -0.72 -1.78 1.62 3.58 -1.91 -3.32 116.42 113.38 1b9l h ASP 50 Ca -0.48 0.06 -0.60 0.00 0.42 0.00 0.00 57.03 56.43 1b9l h ASP 50 Cb 1.49 0.25 -0.11 0.00 1.72 0.00 0.00 39.33 42.67 1b9l h ASP 50 CO -0.24 -0.31 1.19 0.27 -2.88 0.00 0.00 179.24 177.27 1b9l s ILE 51 N -4.38 4.05 0.65 2.25 -4.36 -0.92 -4.90 121.20 113.59 1b9l s ILE 51 Ca -0.09 -0.58 0.27 0.00 -0.26 0.00 0.00 60.65 59.99 1b9l s ILE 51 Cb 0.02 -4.94 0.29 0.00 1.25 0.00 0.00 42.46 39.08 1b9l s ILE 51 CO 0.29 -1.80 1.82 -0.55 0.24 0.00 0.00 174.94 174.95 1b9l h ASN 52 N 9.67 0.00 -0.54 4.36 -0.00 -1.85 -2.80 115.58 124.42 1b9l h ASN 52 Ca 0.03 0.00 -0.28 0.00 -0.00 0.00 0.00 56.30 56.05 1b9l h ASN 52 Cb 1.03 0.00 -0.17 0.00 -0.00 0.00 0.00 38.32 39.18 1b9l h ASN 52 CO 1.32 0.00 0.35 0.47 -0.00 0.00 0.00 177.43 179.57 1b9l n ASP 53 N -3.04 3.42 -4.37 6.14 9.92 -1.26 -4.98 116.55 122.39 1b9l n ASP 53 Ca 0.01 -2.88 -0.32 0.00 -0.53 0.00 0.00 54.79 51.07 1b9l n ASP 53 Cb 0.52 -0.68 0.16 0.00 -0.64 0.00 0.00 41.12 40.47 1b9l n ASP 53 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1b9l n ALA 54 N -0.39 -3.32 -2.64 2.24 0.00 -1.06 -4.96 120.51 110.39 1b9l n ALA 54 Ca 0.33 -1.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.34 1b9l n ALA 54 Cb 1.14 -1.70 -0.05 0.00 0.00 0.00 0.00 19.45 18.84 1b9l n ALA 54 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1b9l s LEU 55 N -2.10 4.08 -0.29 0.00 0.20 -1.26 -5.02 118.68 114.28 1b9l s LEU 55 Ca 0.58 0.97 -0.03 0.00 0.69 0.00 0.00 54.13 56.34 1b9l s LEU 55 Cb -0.17 -3.14 0.04 0.00 -0.43 0.00 0.00 46.19 42.48 1b9l s LEU 55 CO 0.66 -0.51 -0.00 0.21 -0.29 0.00 0.00 176.35 176.42 1b9l s ASN 56 N 1.38 4.77 0.58 3.68 2.47 -1.26 -4.96 114.94 121.60 1b9l s ASN 56 Ca 0.34 -1.07 0.34 0.00 0.42 0.00 0.00 52.86 52.88 1b9l s ASN 56 Cb -0.15 -1.73 1.77 0.00 -1.45 0.00 0.00 41.25 39.69 1b9l s ASN 56 CO 0.08 -0.22 2.17 0.10 -3.72 0.00 0.00 177.10 175.51 1b9l h TYR 57 N 8.05 0.00 -0.39 0.43 -0.00 -1.99 -2.12 116.97 120.94 1b9l h TYR 57 Ca -0.26 0.00 -0.13 0.00 0.00 0.00 0.00 58.73 58.34 1b9l h TYR 57 Cb 1.08 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.80 1b9l h TYR 57 CO 0.60 0.05 -0.29 0.00 -0.00 0.00 0.00 178.16 178.52 1b9l h ARG 58 N 0.00 0.85 -0.06 0.10 3.08 -1.99 -1.59 114.38 114.77 1b9l h ARG 58 Ca -0.00 -0.39 -0.04 0.00 0.07 0.00 0.00 59.98 59.63 1b9l h ARG 58 Cb 0.22 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.26 1b9l h ARG 58 CO 0.01 1.02 -0.11 1.15 -1.07 0.00 0.00 179.97 180.97 1b9l h THR 59 N 0.72 1.41 -0.37 2.04 2.02 -1.83 -1.01 112.91 115.89 1b9l h THR 59 Ca 0.08 -1.40 0.08 0.00 0.77 0.00 0.00 66.41 65.94 1b9l h THR 59 Cb 0.84 2.20 -0.08 0.00 -1.74 0.00 0.00 68.15 69.37 1b9l h THR 59 CO 0.07 0.39 -0.13 0.58 0.37 0.00 0.00 175.52 176.80 1b9l h VAL 60 N -0.31 0.56 0.05 3.16 2.07 -1.39 0.99 116.25 121.37 1b9l h VAL 60 Ca 0.00 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 1b9l h VAL 60 Cb 0.68 0.56 -0.00 0.00 -1.52 0.00 0.00 31.29 31.00 1b9l h VAL 60 CO 0.02 0.00 -0.03 0.74 0.02 0.00 0.00 177.57 178.33 1b9l h THR 61 N -0.05 0.94 -0.48 2.57 2.02 -1.28 -1.07 112.91 115.55 1b9l h THR 61 Ca 0.18 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.45 1b9l h THR 61 Cb 0.33 0.94 -0.10 0.00 -1.74 0.00 0.00 68.15 67.57 1b9l h THR 61 CO -0.41 0.00 -0.31 0.50 0.37 0.00 0.00 175.52 175.66 1b9l h LYS 62 N -0.07 -0.19 -0.84 6.66 3.64 -0.11 0.37 116.57 126.02 1b9l h LYS 62 Ca -0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1b9l h LYS 62 Cb 0.06 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 31.89 1b9l h LYS 62 CO 0.00 -0.13 0.54 -0.91 -2.27 0.00 0.00 179.45 176.69 1b9l h ASN 63 N -0.20 0.98 0.06 4.20 2.35 -0.48 -0.71 115.58 121.77 1b9l h ASN 63 Ca 0.20 -0.04 -0.00 0.00 -0.55 0.00 0.00 56.30 55.91 1b9l h ASN 63 Cb 0.53 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.66 1b9l h ASN 63 CO -0.59 0.72 -0.03 0.40 -1.65 0.00 0.00 177.43 176.28 1b9l h ILE 64 N 1.14 1.01 0.44 2.81 2.04 -0.04 -0.52 117.51 124.40 1b9l h ILE 64 Ca 0.31 -0.23 -0.01 0.00 1.00 0.00 0.00 64.86 65.92 1b9l h ILE 64 Cb -0.11 1.16 -0.02 0.00 -0.74 0.00 0.00 36.82 37.12 1b9l h ILE 64 CO -0.06 0.06 -0.36 0.40 0.00 0.00 0.00 178.15 178.18 1b9l h ILE 65 N -0.19 0.26 -0.78 -0.67 2.04 -0.67 0.14 117.51 117.65 1b9l h ILE 65 Ca -0.01 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.00 1b9l h ILE 65 Cb 0.16 0.26 -0.10 0.00 -0.74 0.00 0.00 36.82 36.41 1b9l h ILE 65 CO 0.01 0.00 0.31 -0.61 0.00 0.00 0.00 178.15 177.87 1b9l h GLN 66 N -0.80 0.43 -0.36 2.37 4.15 -1.13 0.19 115.11 119.97 1b9l h GLN 66 Ca -0.04 -0.03 -0.13 0.00 0.77 0.00 0.00 58.65 59.22 1b9l h GLN 66 Cb 0.69 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 28.28 1b9l h GLN 66 CO -0.02 0.29 -0.30 1.25 -1.93 0.00 0.00 178.83 178.12 1b9l h HIS 67 N 0.45 0.99 0.01 3.99 2.76 -0.70 -3.01 115.15 119.63 1b9l h HIS 67 Ca 0.43 -0.28 -0.18 0.00 -2.20 0.00 0.00 60.37 58.14 1b9l h HIS 67 Cb 0.67 -0.21 0.01 0.00 1.55 0.00 0.00 27.41 29.44 1b9l h HIS 67 CO -0.16 1.07 -0.71 0.28 -1.30 0.00 0.00 177.93 177.11 1b9l h VAL 68 N 0.62 1.40 0.00 5.26 2.07 0.33 -3.31 116.25 122.62 1b9l h VAL 68 Ca 0.06 -2.14 0.00 0.00 0.82 0.00 0.00 66.70 65.45 1b9l h VAL 68 Cb 0.88 2.58 0.00 0.00 -1.52 0.00 0.00 31.29 33.22 1b9l h VAL 68 CO 0.08 0.63 0.00 -0.33 0.02 0.00 0.00 177.57 177.97 1b9l h GLU 69 N -0.01 0.00 -0.45 1.57 5.08 -0.78 -3.21 114.58 116.78 1b9l h GLU 69 Ca -0.09 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.10 1b9l h GLU 69 Cb 1.41 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.56 1b9l h GLU 69 CO 0.14 0.00 0.08 0.09 -1.00 0.00 0.00 179.01 178.32 1b9l n ASN 70 N -2.85 3.43 -4.09 1.42 5.03 -1.14 -5.00 115.26 112.07 1b9l n ASN 70 Ca 0.01 -3.43 -0.10 0.00 0.87 0.00 0.00 54.58 51.93 1b9l n ASN 70 Cb 0.31 -0.65 -0.08 0.00 -1.02 0.00 0.00 39.78 38.34 1b9l n ASN 70 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.26 175.63 1b9l s ASN 71 N -1.98 0.06 -0.02 6.41 -0.87 -1.21 -5.04 114.94 112.28 1b9l s ASN 71 Ca 0.47 -1.14 0.08 0.00 -1.57 0.00 0.00 52.86 50.70 1b9l s ASN 71 Cb 0.40 0.45 -0.02 0.00 -0.02 0.00 0.00 41.25 42.06 1b9l s ASN 71 CO 0.06 -0.94 -0.26 -0.13 -2.57 0.00 0.00 177.10 173.26 1b9l s ARG 72 N -4.07 2.10 0.04 -0.60 0.52 -1.26 -4.28 118.95 111.39 1b9l s ARG 72 Ca 0.29 -0.92 0.07 0.00 -0.52 0.00 0.00 55.73 54.65 1b9l s ARG 72 Cb 0.04 -2.02 -0.02 0.00 0.52 0.00 0.00 34.95 33.47 1b9l s ARG 72 CO 0.08 0.55 -0.20 -0.06 0.02 0.00 0.00 175.30 175.69 1b9l s PHE 73 N -0.59 1.72 -0.10 -0.53 0.40 0.16 -5.03 117.98 114.01 1b9l s PHE 73 Ca 0.09 -0.36 -0.06 0.00 -0.60 0.00 0.00 56.93 56.00 1b9l s PHE 73 Cb -0.10 -1.03 -0.27 0.00 0.51 0.00 0.00 43.02 42.13 1b9l s PHE 73 CO -0.01 0.07 0.46 0.66 0.70 0.00 0.00 175.22 177.10 1b9l h SER 74 N 4.97 0.42 -4.38 1.36 4.64 -1.83 0.57 113.55 119.30 1b9l h SER 74 Ca -0.41 -0.86 -0.38 0.00 -0.47 0.00 0.00 61.79 59.67 1b9l h SER 74 Cb 1.16 -0.14 -0.20 0.00 -0.31 0.00 0.00 62.40 62.92 1b9l h SER 74 CO 0.44 1.77 -0.76 -0.76 -0.87 0.00 0.00 176.83 176.65 1b9l s LEU 75 N -7.01 2.34 0.22 5.97 1.02 -1.26 -3.61 118.68 116.35 1b9l s LEU 75 Ca -0.19 -0.71 -0.08 0.00 0.02 0.00 0.00 54.13 53.17 1b9l s LEU 75 Cb 0.07 -0.44 0.19 0.00 0.02 0.00 0.00 46.19 46.03 1b9l s LEU 75 CO 0.79 -0.15 1.86 0.25 0.02 0.00 0.00 176.35 179.11 1b9l h LEU 76 N 3.93 1.06 -0.38 1.79 6.46 -1.98 -2.73 115.31 123.47 1b9l h LEU 76 Ca -0.39 -0.09 0.05 0.00 -0.12 0.00 0.00 57.88 57.33 1b9l h LEU 76 Cb 1.19 -0.27 -0.05 0.00 -0.73 0.00 0.00 40.66 40.81 1b9l h LEU 76 CO 0.46 0.84 0.11 -0.33 -0.62 0.00 0.00 178.44 178.90 1b9l h GLU 77 N 1.20 0.25 0.11 1.25 3.07 -1.99 -0.04 114.58 118.42 1b9l h GLU 77 Ca 0.31 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.15 1b9l h GLU 77 Cb -0.00 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 27.85 1b9l h GLU 77 CO -0.05 0.16 -0.10 0.87 -1.40 0.00 0.00 179.01 178.49 1b9l h LYS 78 N 0.26 -0.21 -0.24 2.33 6.56 -1.90 -1.80 116.57 121.56 1b9l h LYS 78 Ca 0.18 0.01 0.05 0.00 -1.06 0.00 0.00 60.65 59.83 1b9l h LYS 78 Cb 0.18 0.05 -0.05 0.00 -0.57 0.00 0.00 32.23 31.84 1b9l h LYS 78 CO -0.20 -0.14 -0.06 1.25 -2.06 0.00 0.00 179.45 178.23 1b9l h LEU 79 N -0.22 -0.23 -0.34 2.94 5.85 -1.36 0.38 115.31 122.34 1b9l h LEU 79 Ca 0.00 0.07 0.04 0.00 0.84 0.00 0.00 57.88 58.84 1b9l h LEU 79 Cb 0.21 0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.35 1b9l h LEU 79 CO -0.02 -0.08 0.11 0.74 -0.34 0.00 0.00 178.44 178.84 1b9l h THR 80 N -0.00 0.89 0.10 1.05 2.02 -0.90 -1.49 112.91 114.57 1b9l h THR 80 Ca 0.11 -0.08 0.01 0.00 0.77 0.00 0.00 66.41 67.21 1b9l h THR 80 Cb 0.18 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.19 1b9l h THR 80 CO -0.24 0.05 -0.11 -0.61 0.37 0.00 0.00 175.52 174.97 1b9l h GLN 81 N 0.25 -0.23 -0.81 6.66 5.75 -0.85 0.58 115.11 126.45 1b9l h GLN 81 Ca 0.16 0.02 0.18 0.00 -0.15 0.00 0.00 58.65 58.86 1b9l h GLN 81 Cb 0.14 0.05 -0.12 0.00 1.07 0.00 0.00 27.48 28.63 1b9l h GLN 81 CO -0.17 -0.15 0.28 -0.44 -2.65 0.00 0.00 178.83 175.69 1b9l h ASP 82 N -0.24 0.16 -0.25 -0.69 5.19 -0.50 0.61 116.42 120.70 1b9l h ASP 82 Ca 0.01 0.15 -0.09 0.00 -0.62 0.00 0.00 57.03 56.48 1b9l h ASP 82 Cb 0.24 0.17 -0.00 0.00 0.18 0.00 0.00 39.33 39.91 1b9l h ASP 82 CO -0.04 -0.01 -0.20 0.58 -3.12 0.00 0.00 179.24 176.45 1b9l h VAL 83 N 0.34 1.31 -0.31 -1.35 2.07 -0.70 -2.46 116.25 115.16 1b9l h VAL 83 Ca 0.48 -1.34 0.07 0.00 0.82 0.00 0.00 66.70 66.73 1b9l h VAL 83 Cb 0.85 1.63 -0.07 0.00 -1.52 0.00 0.00 31.29 32.19 1b9l h VAL 83 CO -0.52 0.42 -0.13 0.25 0.02 0.00 0.00 177.57 177.62 1b9l h LEU 84 N 0.29 -0.44 -0.65 2.57 5.85 0.88 0.67 115.31 124.47 1b9l h LEU 84 Ca 0.05 0.11 0.05 0.00 0.84 0.00 0.00 57.88 58.93 1b9l h LEU 84 Cb 0.74 0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.97 1b9l h LEU 84 CO 0.05 -0.16 0.37 0.44 -0.34 0.00 0.00 178.44 178.81 1b9l h ASP 85 N -0.07 0.57 -0.58 1.25 3.32 -0.97 -1.31 116.42 118.63 1b9l h ASP 85 Ca 0.16 0.02 0.02 0.00 0.02 0.00 0.00 57.03 57.24 1b9l h ASP 85 Cb 0.31 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.73 1b9l h ASP 85 CO -0.36 0.38 0.39 0.40 -1.72 0.00 0.00 179.24 178.33 1b9l h ILE 86 N 0.71 1.12 -0.06 0.35 2.04 -0.62 -2.55 117.51 118.50 1b9l h ILE 86 Ca 0.28 -0.26 -0.03 0.00 1.00 0.00 0.00 64.86 65.85 1b9l h ILE 86 Cb 0.13 0.30 -0.00 0.00 -0.74 0.00 0.00 36.82 36.51 1b9l h ILE 86 CO -0.15 0.14 -0.09 0.00 0.00 0.00 0.00 178.15 178.05 1b9l h ALA 87 N 1.65 0.09 -0.22 1.87 0.00 0.13 -3.25 119.26 119.53 1b9l h ALA 87 Ca 0.22 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1b9l h ALA 87 Cb -0.03 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1b9l h ALA 87 CO -0.05 -0.07 0.04 2.89 0.00 0.00 0.00 179.25 182.05 1b9l n ARG 88 N -4.69 2.21 0.02 0.00 1.85 -0.67 -4.21 116.66 111.16 1b9l n ARG 88 Ca -0.08 -1.08 -0.09 0.00 -1.00 0.00 0.00 57.85 55.60 1b9l n ARG 88 Cb 0.33 -1.71 0.07 0.00 -1.05 0.00 0.00 32.46 30.10 1b9l n ARG 88 CO 0.00 0.00 0.00 1.49 -0.01 0.00 0.00 177.63 179.11 1b9l h GLU 89 N 1.22 0.51 -6.80 2.89 4.81 -1.49 -3.45 114.58 112.27 1b9l h GLU 89 Ca 0.04 -0.32 -0.50 0.00 -0.13 0.00 0.00 59.36 58.45 1b9l h GLU 89 Cb 1.12 0.04 0.01 0.00 0.63 0.00 0.00 28.75 30.54 1b9l h GLU 89 CO 0.21 0.92 0.44 -1.58 -0.73 0.00 0.00 179.01 178.27 1b9l s HIS 90 N -3.98 3.67 -0.67 0.92 2.46 -1.26 -4.93 115.29 111.50 1b9l s HIS 90 Ca -0.07 1.75 0.10 0.00 0.47 0.00 0.00 55.06 57.32 1b9l s HIS 90 Cb 0.11 -3.20 0.53 0.00 -0.13 0.00 0.00 32.58 29.90 1b9l s HIS 90 CO 0.83 -0.30 1.32 -2.39 -2.47 0.00 0.00 174.74 171.73 1b9l n HIS 91 N 1.20 0.32 0.12 3.88 1.44 -1.26 -1.82 115.22 119.09 1b9l n HIS 91 Ca -0.01 0.16 0.05 0.00 -2.01 0.00 0.00 57.72 55.91 1b9l n HIS 91 Cb 0.46 -0.76 0.02 0.00 0.12 0.00 0.00 29.99 29.83 1b9l n HIS 91 CO 0.00 0.00 0.00 -1.49 -2.81 0.00 0.00 176.34 172.04 1b9l h TRP 92 N 0.00 0.00 -1.51 -1.40 4.06 -1.95 -3.46 115.95 111.69 1b9l h TRP 92 Ca 0.00 0.00 -0.61 0.00 2.06 0.00 0.00 58.89 60.34 1b9l h TRP 92 Cb 0.03 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.19 1b9l h TRP 92 CO 0.00 0.33 1.49 0.28 -3.56 0.00 0.00 178.44 176.98 1b9l n VAL 93 N -3.02 0.22 -0.06 1.49 0.31 -0.76 -4.45 118.33 112.07 1b9l n VAL 93 Ca -0.01 -0.40 -0.11 0.00 -0.01 0.00 0.00 64.34 63.81 1b9l n VAL 93 Cb 0.69 -2.15 -0.10 0.00 -0.91 0.00 0.00 33.84 31.37 1b9l n VAL 93 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 1b9l h THR 94 N 7.21 1.43 -3.99 2.52 2.02 -1.26 -3.46 112.91 117.38 1b9l h THR 94 Ca -0.32 -2.02 -0.14 0.00 0.77 0.00 0.00 66.41 64.70 1b9l h THR 94 Cb 1.28 2.67 -0.18 0.00 -1.74 0.00 0.00 68.15 70.18 1b9l h THR 94 CO 1.02 0.47 -0.63 -0.47 0.37 0.00 0.00 175.52 176.28 1b9l s TYR 95 N -2.23 0.31 -0.18 3.16 5.04 -1.19 -2.22 117.35 120.05 1b9l s TYR 95 Ca -0.15 -0.67 -0.16 0.00 -2.44 0.00 0.00 57.07 53.65 1b9l s TYR 95 Cb -0.02 -0.23 0.05 0.00 0.35 0.00 0.00 41.96 42.11 1b9l s TYR 95 CO 0.56 -0.31 0.47 0.00 -1.34 0.00 0.00 175.55 174.94 1b9l s ALA 96 N -2.58 -1.18 0.00 3.97 0.00 -0.95 -0.90 121.76 120.12 1b9l s ALA 96 Ca -0.05 1.40 0.02 0.00 0.00 0.00 0.00 51.96 53.33 1b9l s ALA 96 Cb -0.02 -0.82 -0.01 0.00 0.00 0.00 0.00 23.12 22.28 1b9l s ALA 96 CO -0.05 -0.23 -0.07 -2.00 0.00 0.00 0.00 175.76 173.40 1b9l s GLU 97 N 0.44 0.58 -0.03 0.00 2.12 0.09 -0.90 118.70 121.00 1b9l s GLU 97 Ca -0.02 -0.34 -0.00 0.00 0.36 0.00 0.00 54.97 54.97 1b9l s GLU 97 Cb -0.04 -0.54 0.03 0.00 0.26 0.00 0.00 34.13 33.84 1b9l s GLU 97 CO -0.02 0.14 0.02 0.08 -0.54 0.00 0.00 175.26 174.94 1b9l s VAL 98 N -0.35 0.08 -0.06 3.70 1.01 -0.36 -1.04 120.40 123.38 1b9l s VAL 98 Ca 0.01 0.19 0.06 0.00 0.00 0.00 0.00 61.98 62.24 1b9l s VAL 98 Cb -0.04 -0.22 -0.01 0.00 0.00 0.00 0.00 36.38 36.11 1b9l s VAL 98 CO -0.00 0.15 -0.24 -0.70 0.00 0.00 0.00 175.10 174.31 1b9l s GLU 99 N 1.33 2.42 -0.12 2.72 2.12 -0.69 -0.97 118.70 125.53 1b9l s GLU 99 Ca -0.06 -0.86 -0.00 0.00 0.36 0.00 0.00 54.97 54.42 1b9l s GLU 99 Cb -0.13 -2.06 0.02 0.00 0.26 0.00 0.00 34.13 32.22 1b9l s GLU 99 CO -0.03 0.36 -0.09 0.42 -0.54 0.00 0.00 175.26 175.38 1b9l s ILE 100 N -0.13 1.15 -0.10 -3.70 1.01 -0.25 -1.43 121.20 117.76 1b9l s ILE 100 Ca -0.04 -0.37 -0.14 0.00 0.00 0.00 0.00 60.65 60.10 1b9l s ILE 100 Cb -0.13 -1.13 -0.05 0.00 0.01 0.00 0.00 42.46 41.16 1b9l s ILE 100 CO 0.03 0.39 0.36 -1.81 0.00 0.00 0.00 174.94 173.91 1b9l s ASP 101 N 1.58 6.61 -0.43 3.58 1.11 -0.03 -1.37 116.67 127.71 1b9l s ASP 101 Ca 0.03 0.72 -0.09 0.00 0.18 0.00 0.00 52.55 53.39 1b9l s ASP 101 Cb -0.13 -2.22 0.09 0.00 1.07 0.00 0.00 42.92 41.73 1b9l s ASP 101 CO -0.08 0.18 0.27 -0.75 1.18 0.00 0.00 175.17 175.97 1b9l s LYS 102 N -0.14 2.55 0.09 8.23 2.20 -0.26 -1.99 119.74 130.42 1b9l s LYS 102 Ca 0.21 -1.54 -0.31 0.00 -0.36 0.00 0.00 55.97 53.97 1b9l s LYS 102 Cb -0.15 -3.80 -0.09 0.00 -1.51 0.00 0.00 37.83 32.29 1b9l s LYS 102 CO 0.08 -1.01 1.74 -0.51 -0.36 0.00 0.00 175.35 175.30 1b9l s LEU 103 N 1.40 4.38 -1.21 5.43 1.02 -0.65 -2.92 118.68 126.12 1b9l s LEU 103 Ca 0.04 2.62 -0.07 0.00 0.02 0.00 0.00 54.13 56.74 1b9l s LEU 103 Cb -0.24 -3.56 -0.02 0.00 0.02 0.00 0.00 46.19 42.39 1b9l s LEU 103 CO 0.01 -0.95 0.77 1.41 0.02 0.00 0.00 176.35 177.61 1b9l n HIS 104 N 5.69 -2.01 0.00 0.29 8.25 -0.82 -4.71 115.22 121.91 1b9l n HIS 104 Ca 0.17 0.74 -0.06 0.00 -0.26 0.00 0.00 57.72 58.30 1b9l n HIS 104 Cb 0.39 -4.09 -0.12 0.00 1.12 0.00 0.00 29.99 27.30 1b9l n HIS 104 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1b9l h ALA 105 N 0.68 0.70 -3.86 -1.41 0.00 -1.82 -3.45 119.26 110.11 1b9l h ALA 105 Ca -0.63 -1.24 -0.68 0.00 0.00 0.00 0.00 54.91 52.36 1b9l h ALA 105 Cb 1.35 0.36 -0.20 0.00 0.00 0.00 0.00 17.79 19.30 1b9l h ALA 105 CO 0.52 1.37 -0.77 -0.51 0.00 0.00 0.00 179.25 179.86 1b9l s LEU 106 N -6.09 2.78 0.28 0.00 2.01 -1.26 -5.07 118.68 111.33 1b9l s LEU 106 Ca -0.03 -0.34 -0.22 0.00 0.01 0.00 0.00 54.13 53.54 1b9l s LEU 106 Cb 0.08 -1.62 -0.09 0.00 0.01 0.00 0.00 46.19 44.58 1b9l s LEU 106 CO 0.82 0.26 0.83 0.00 1.01 0.00 0.00 176.35 179.28 1b9l s ARG 107 N -1.44 4.39 0.00 1.70 1.70 -1.26 -3.54 118.95 120.50 1b9l s ARG 107 Ca 0.15 1.08 0.00 0.00 -0.47 0.00 0.00 55.73 56.50 1b9l s ARG 107 Cb -0.11 -2.80 0.00 0.00 -0.57 0.00 0.00 34.95 31.47 1b9l s ARG 107 CO 0.06 0.32 0.00 0.66 -1.08 0.00 0.00 175.30 175.26 1b9l n TYR 108 N 0.56 0.00 -4.20 5.89 4.01 -1.26 -5.01 117.16 117.15 1b9l n TYR 108 Ca 0.00 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.57 1b9l n TYR 108 Cb 0.51 -0.08 -0.15 0.00 -0.31 0.00 0.00 39.34 39.31 1b9l n TYR 108 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1b9l s ALA 109 N -2.31 0.54 0.15 -0.72 0.00 -1.23 -5.06 121.76 113.14 1b9l s ALA 109 Ca 0.00 -0.21 -0.17 0.00 0.00 0.00 0.00 51.96 51.59 1b9l s ALA 109 Cb 0.00 -0.20 0.07 0.00 0.00 0.00 0.00 23.12 22.99 1b9l s ALA 109 CO 0.00 0.09 1.72 -0.44 0.00 0.00 0.00 175.76 177.13 1b9l h ASP 110 N 6.28 -0.05 -5.46 0.00 5.19 -1.95 -3.41 116.42 117.02 1b9l h ASP 110 Ca -0.31 0.07 0.18 0.00 -0.62 0.00 0.00 57.03 56.34 1b9l h ASP 110 Cb 1.18 0.10 -0.04 0.00 0.18 0.00 0.00 39.33 40.75 1b9l h ASP 110 CO 0.49 0.01 0.62 -0.94 -3.12 0.00 0.00 179.24 176.31 1b9l s SER 111 N -5.28 0.01 -0.04 6.45 1.04 -1.26 -1.93 113.70 112.68 1b9l s SER 111 Ca -0.13 -0.63 0.02 0.00 0.48 0.00 0.00 55.95 55.68 1b9l s SER 111 Cb 0.12 0.46 0.01 0.00 0.10 0.00 0.00 66.02 66.72 1b9l s SER 111 CO 0.71 -0.92 -0.07 0.54 0.98 0.00 0.00 173.24 174.47 1b9l s VAL 112 N -2.13 0.69 0.13 5.02 0.11 -1.15 -4.92 120.40 118.16 1b9l s VAL 112 Ca 0.23 -0.26 0.08 0.00 -2.93 0.00 0.00 61.98 59.10 1b9l s VAL 112 Cb -0.02 -0.65 -0.04 0.00 -1.53 0.00 0.00 36.38 34.14 1b9l s VAL 112 CO 0.05 0.24 -0.19 -0.94 -3.33 0.00 0.00 175.10 170.93 1b9l s SER 113 N 0.53 2.51 -0.14 3.54 1.04 -1.26 -1.10 113.70 118.83 1b9l s SER 113 Ca -0.08 -0.78 0.01 0.00 0.48 0.00 0.00 55.95 55.59 1b9l s SER 113 Cb -0.12 -0.14 0.00 0.00 0.10 0.00 0.00 66.02 65.87 1b9l s SER 113 CO 0.01 -0.01 -0.18 -0.32 0.98 0.00 0.00 173.24 173.72 1b9l s MET 114 N -2.39 3.16 -0.08 4.02 1.75 -0.47 -4.91 119.30 120.37 1b9l s MET 114 Ca 0.11 -0.79 0.05 0.00 -1.25 0.00 0.00 55.69 53.81 1b9l s MET 114 Cb -0.08 -2.53 -0.01 0.00 2.84 0.00 0.00 34.83 35.05 1b9l s MET 114 CO 0.05 0.04 -0.24 0.99 -0.65 0.00 0.00 175.02 175.22 1b9l s THR 115 N 0.72 2.15 0.00 10.11 2.01 -1.26 -1.09 115.64 128.28 1b9l s THR 115 Ca -0.08 -1.02 0.02 0.00 0.31 0.00 0.00 61.69 60.92 1b9l s THR 115 Cb -0.16 -1.80 -0.01 0.00 0.01 0.00 0.00 72.50 70.55 1b9l s THR 115 CO 0.01 0.56 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.68 1b9l s LEU 116 N 0.03 2.05 0.24 4.42 1.43 -0.14 -4.99 118.68 121.71 1b9l s LEU 116 Ca -0.09 -0.17 0.02 0.00 -1.03 0.00 0.00 54.13 52.86 1b9l s LEU 116 Cb -0.15 -0.28 -0.05 0.00 0.03 0.00 0.00 46.19 45.74 1b9l s LEU 116 CO 0.06 0.03 0.04 -0.94 0.23 0.00 0.00 176.35 175.77 1b9l s SER 117 N -0.35 1.53 0.00 2.29 1.04 -1.26 -1.22 113.70 115.74 1b9l s SER 117 Ca 0.00 -1.29 -0.02 0.00 0.48 0.00 0.00 55.95 55.12 1b9l s SER 117 Cb -0.03 0.08 -0.01 0.00 0.10 0.00 0.00 66.02 66.16 1b9l s SER 117 CO -0.00 -0.62 0.04 0.86 0.98 0.00 0.00 173.24 174.50 1b9l s TRP 118 N -3.58 0.11 0.37 5.02 -0.00 -0.08 -5.00 118.94 115.78 1b9l s TRP 118 Ca 0.32 -0.24 0.06 0.00 -0.00 0.00 0.00 56.10 56.25 1b9l s TRP 118 Cb 0.07 -0.09 -0.07 0.00 -0.00 0.00 0.00 33.47 33.37 1b9l s TRP 118 CO 0.10 -0.17 0.01 -0.65 -0.00 0.00 0.00 176.95 176.25 1b9l s GLN 119 N -1.02 1.81 0.00 5.86 -1.52 -1.26 -2.25 119.66 121.28 1b9l s GLN 119 Ca -0.11 -2.01 0.00 0.00 -1.95 0.00 0.00 55.36 51.29 1b9l s GLN 119 Cb -0.07 -1.34 0.00 0.00 -0.22 0.00 0.00 33.01 31.38 1b9l s GLN 119 CO -0.00 -0.08 0.00 0.54 -0.25 0.00 0.00 175.29 175.50